A0A5K4F2I5_SCHMA Loading...

Protein CASC3 AlphaSync Fragmented

AlphaFold DB , UniProt , Accession A0A5K4F2I5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 3,112 aa.

						>A0A5K4F2I5_SCHMA|A0A5K4F2I5
MFHTADVSVIHSEKSPLLVNKKLQVTIGQSVENTSTQTDPMAQVPTVLPKTTFDVVTQSGTVHCAQSVQTIPEERPVFHTVNVGVDLTGKLQSVLYENVQATMRQSVENTSTQTDPMAQVPTVLPKTTFDVVTQSGTVHCAQSVQTIPEERPVFHTVSVGLDHTEKSPSLVGKKLQATMRQSVENTSTQTDPMAQVPTVLPKTTFDVVTQSGTVHCAQSVQTIPEERPVFHTVNVGVDLTGKLQSVLYENVQATMRQSVENTSTQTDPMAQVPTVLPKTTFDVVTQSGTVHCAQSVQTIPEERPVFHTVSVGLDHTEKSPSLVGKKLQATMRQSVENTSTQTDPMAQVPTVLPKTTFDVVTQSGTVHCAQSVQTIPEERPVFHTVSVGLDHTEKSPSLVGKKLQATMRQSVENTSTQTDPMAQVPTVLPKTTFDVVTQSGTVHCAQSVQTIPEEQPVFHTVNVGLDHTEKSPSLVGKKLQATMRQSVENTSTQTDPMAQVPTVLPKTTFDVVTQSGTVHCAQSVQTIPEERPVFHTVNVGVDLTGKLQSVLYENVQATMRQSVENTSTQTDPMAQVPTVLPKTTFDVVTQSGTLSLNVGCQAVLISEDLLMNDVAVDHVGSINPCFSQGVQAGTQVECRNVEIQCVIKDKHVVNIRDADAQFDVLCRQQETQTFSLPSTTTKEGSVQHTPTTTQLINKKLQVTVSQSIREAAAQTYESIPVVTVPTMQTIYHSSQTHEISSQTESLGLFDHQTYAHIKSKTIDVETQSGIICKSQGLQTKLDHKPFGMTKENSTQYEAVQRRMINIDIQADARHAVAYRYVQTDESQLIHIKQKHQMNVQTQSGIIQKEQGIQTREEVQTTVNVTDVTVTHEFKTRQINKKLQATIMPQIKDTIIQTELEGTSVFPTATKPTFDVQTQSGSVTINSETQTPHEPKIIPAIKDASVIHEPHHVHTVNKKLQAVVYHPSDDVCLQTDEVTVQPVKPVPQAFSRAPQVEHKQTQAEWLKTKTKTFDIQAQSGIVVKTQSTQTILEERPMFHTADVSVIHSEKSPLLVNKKLQVTIGQSVENTSTQTDPMAQVPTVLPKTTFDVVTQSGTVHCAQSVQTIPEEQPVFHTVNVGLDHTEKSPSLVGKKLQATMRQSVENTSTQTDPMAQVPTVLPKTTFDVVTQSGTVHCAQSVQTIPEEQPVFHTVNVGLDHTEKSPSLVGKKLQATMRQSVENTSTQTDPMAQVPTVLPKTTFDVVTQSGTVHCAQSVQTIPEERPVFHTVSVGVDLTGKLQSVLYENVQATMRQSVENTSTQTDPMAQVPTVLPKTTFDVVTQSGTVHCAQSVQTIPEERPVFHTVNVGLDHTEKSPSLVGKKLQATMRQSVENTSTQTDPMAQVPTVLPKTTFDVVTQSGTVHCAQSVQTIPEERPVFHTVNVGLDHTEKSPSLVGKKLQATMRQSVENTSTQTDPMAQVPTVLPKTTFDVVTQSGTVHCAQSVQTIPEERPVFHTVSVGLDHTEKSPSLVGKKLQATMRQSVENTSTQTDPMAQVPTVLPKTTFDVVTQSGTVHCAQSVQTIPEERPVFHTVNVGVDLTGKLQSVLYENVQATMRQSVENTSTQTDPMAQVPTVLPKTTFDVVTQSGTVHCAQSVQTIPEERPVFCTVDVSVDHVDNAPIVRSTVSSTMHTLPNTSQSTQTIPTKLADTFCQTTLSSITYDVQIQSGVIHSVDGTQTVDLTPPIAMKEMSVVHEKEPTILKGKKLQVRCDSTDLGIQTDQITPIVQPTISSTMHTLPNTSQSTQTIPTKLADTFCQTTLSSITYDVQIQSGVIHSVDGTQTVDLTPPIAMKEMSVVHEKEPTILKGKKLQVRCDSTDLGIQTDQITPIVQPTISSTMHTLPNTSQSTQTIPTKLADTFCQTTLSSITYDVQIQSGVIHSVDGTQTVDLTPPIAMKEMSVVHEKEPTILKGKKLQVRCDSTDLGVQTDHTMSTVHLDSKLTQTALVHYTDVSCQYTELTKPSSTSHVVTSRVVSIQTDVPFSTNIRVDQRNKKFQVNLISPSSPKTPTNVASIGTQTSDYRYQDISIEQVDKTTVSSVDAYMVHDSVSNVTSTSQAIPKIKIDQECQVKITPQQYQKKLQCGPSFSTLKNTSSQTIQDSCLRDHQRTSLSSSIGVQVSNVRPVVTVDTGTQETRPSETSPSPLQVKNKKLQVYPSKLGEQVEEEFIHPQETICKGMSTSLTEITQTDECLLKNTECFKCISRGGDKKTIDKDVQSEEKSIRTKQTASSTVKSNYFTRILQMETIPDKPKAPDTSDVLKLYRESGYRAKGESRDVQTDAFLLGSIQLPESKEVDGVGKISKKTTIVQLEKLTTDKCVDTMPFEKGLIESQTSYHDIQTSERRNVRLPKETPWPEAQATNVLQDIQFEIRHPQMIDSSGSYSPQQNSVSVSARPTTHMLTHAESTSRNGNGKVKTPYQYLKPDVVSWGVQFAPVTLTGVTQTTESSKHKLAIDSSVNISVQTDAVEDDYYIKRVVTTIARKGLSSYCRRGPVAKKIVEHTDLLTSSLPSNLDEEFDEETTIGPRTTKVTTMQKRGDRRVVHEELLTEDYRERGSSLDSRVAHGQFPRETHPQDIDLHEMHEHETDIYTDAEICLQNLLKVWGEQYLLSRLRTIGRYSELSVSLDRSIHTAEKSRLVEAKTQFTSTGNLVSQIRNLENIGTQTSDILLITRPPHKNKRIQRGRSFISGGTNQPPPTRSGSVVSPLSPTTEELTSHHRQHGITSMQTRTSHPFNLATTTFTETTQEQSTFSIEHTVQTYTCPTCGSQANIPVTVHSQIQPQTLPITQLKDAQSQTRFMGQMTTDNNCTYLPTYLSDEEVIRINQSQKIEDREFSMVTWHPAEIRDTERRRDSDTSNQIRDEVWVDSPGKLLELKITGVIVPGTSEIVSASEAFYRGLLRVVYWDYEKLGPRQSSVDSTVSIPLADAVISKAVRLASDRISTETQPSLDAKIVWRTPEIQRSRYLVHSIRPDAGQNKHNPINLDVASAIRAGLIDKETGQMLFTHSVYESPFSTDSPISKKGDSSSDQTERLSVREAIVRGFLVAELIEPESSYITKQSLPFIVPSTSYSHSPTDVDI
					

Structure and PAE viewers are unavailable as this is a multi-fragment structure.

Download 10 Fragment Structures AlphaSync Parameters PDBs Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.5	Very low	43.6	Very low	48 Å²	48	68.4 Å²	68.4	24%	0.236	37%	0.367	C	S	.	.				0	112.2	0	-159.2	-168.8	-47.9	0	0	107	Q195 M269 A270 V272	M1-Q195 HydrophobicContact CE-CG 4.09Å; M1-Q195 HydrophobicContact CG-CG 4.25Å; M1-Q195 HydrophobicContact SD-CG 4.11Å; M1-M269 PolarHBondContact N-O 3.29Å; M1-A270 HydrophobicContact CB-CB 3.45Å; M1-A270 VanDerWaalsContact CB-CB 3.45Å; M1-A270 HydrophobicContact CE-CB 4.35Å; M1-V272 HydrophobicContact CE-CG2 4.02Å
2	F	31.8	Very low	43.5	Very low	80 Å²	80	70.3 Å²	70.3	35%	0.351	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	127.3	175.8	-60.3	-80.3	0	0	0	108.6	F78 Q105 M269	F2-F78 HydrophobicContact CD1-CB 4.22Å; F2-F78 AromaticContact CD1-CD2 3.66Å; F2-F78 HydrophobicContact CD1-CD2 3.66Å; F2-F78 HydrophobicContact CD1-CG 4.29Å; F2-F78 AromaticContact CE1-CD2 3.4Å; F2-F78 HydrophobicContact CE1-CD2 3.4Å; F2-F78 VanDerWaalsContact CE1-CD2 3.4Å; F2-F78 AromaticContact CE1-CE2 3.84Å; F2-F78 HydrophobicContact CE1-CE2 3.84Å; F2-F78 HydrophobicContact CE1-CG 4.28Å; F2-F78 HydrophobicContact CZ-CD2 4.49Å; F2-Q105 VanDerWaalsContact CE1-OE1 3.24Å; F2-M269 HydrophobicContact CE2-CE 3.61Å; F2-M269 HydrophobicContact CZ-CE 3.56Å
3	H	39.4	Very low	43.1	Very low	88 Å²	88	77.8 Å²	77.8	41%	0.407	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	97.7	167.1	-88	99.4	0	0	0	108.6	F78 H79 T80	H3-F78 PolarHBondContact N-O 3.3Å; H3-H79 WeakPolarHBondContact CB-NE2 3.37Å; H3-H79 AromaticContact CG-CE1 3.9Å; H3-H79 AromaticContact CG-NE2 3.81Å; H3-H79 AromaticContact ND1-CE1 3.89Å; H3-T80 PolarHBondContact O-N 3.42Å
4	T	45.2	Very low	42.4	Very low	63 Å²	63	85.9 Å²	85.9	39%	0.387	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	109.3	169.9	-52.2	0	0	0	0	108.3	V7 T80 M103	T4-V7 HydrophobicContact CG2-CG2 3.68Å; T4-T80 WeakPolarHBondContact CA-O 3.4Å; T4-M103 HydrophobicContact CG2-CE 4.29Å
5	A	43.6	Very low	41.7	Very low	46 Å²	46	87 Å²	87	38%	0.38	47%	0.467	S	S	.	.			trans	-82.5	144.9	159.6	0	0	0	0	0	109	V7 T80 V81	A5-V7 PolarHBondContact O-N 3.49Å; A5-T80 PolarHBondContact N-O 3.27Å; A5-V81 CarbonylContact C-O 3.5Å; A5-V81 WeakPolarHBondContact CB-O 3.46Å
6	D	48.5	Very low	41.3	Very low	116 Å²	116	89.1 Å²	89.1	62%	0.62	49%	0.487	S	S	*	.			trans	23	88.7	169.7	-64.5	-37	0	0	0	118.7	S8	D6-S8 PolarHBondContact O-N 3.47Å
7	V	48.6	Very low	41.2	Very low	35 Å²	35	92.8 Å²	92.8	21%	0.212	51%	0.505	C	S	.	.			trans	-78.7	77.6	154.1	-176.4	0	0	0	0	108.3	T4 A5 V25 I27	T4-V7 HydrophobicContact CG2-CG2 3.68Å; A5-V7 PolarHBondContact O-N 3.49Å; V7-V25 HydrophobicContact CG1-CG1 4.09Å; V7-I27 HydrophobicContact CB-CD1 4.29Å; V7-I27 HydrophobicContact CG1-CD1 4.39Å; V7-I27 HydrophobicContact CG1-CG1 4.36Å; V7-I27 HydrophobicContact CG2-CD1 4.23Å
8	S	46.2	Very low	41.1	Very low	27 Å²	27	94.4 Å²	94.4	19%	0.189	51%	0.513	C	S	.	.			trans	-101.2	139.4	-169.1	68.6	0	0	0	0	113.7	D6 G84	D6-S8 PolarHBondContact O-N 3.47Å; S8-G84 WeakPolarHBondContact O-CA 3.5Å
9	V	52.5	Low	40.7	Very low	40 Å²	40	94.7 Å²	94.7	24%	0.242	52%	0.518	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	88.5	160.8	179.1	0	0	0	0	105.6	H11 L23 V25 V99 A101	V9-H11 PolarHBondContact O-N 3.33Å; V9-L23 HydrophobicContact CG1-CD1 4.49Å; V9-V25 HydrophobicContact CG2-CG2 3.93Å; V9-V99 HydrophobicContact CG1-CG1 4.48Å; V9-A101 HydrophobicContact CG2-CB 4.15Å
10	I	45.1	Very low	40.9	Very low	94 Å²	94	96.5 Å²	96.5	48%	0.482	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	120.3	-172.3	-56.2	-176.4	0	0	0	109
11	H	48.2	Very low	40.8	Very low	115 Å²	115	99.1 Å²	99.1	53%	0.532	53%	0.533	S	S	.	.			trans	-135.3	87.3	178.5	-176.8	-67	0	0	0	109.7	V9	V9-H11 PolarHBondContact O-N 3.33Å
12	S	43	Very low	41.4	Very low	91 Å²	91	102.1 Å²	102.1	64%	0.636	55%	0.545	S	S	*	.			trans	-63.7	141.2	-179.3	71.1	0	0	0	0	112.4
13	E	37.4	Very low	42	Very low	169 Å²	169	103.6 Å²	103.6	79%	0.79	56%	0.556	S	S	*	*			trans	-108.5	144.2	-153.8	-165.2	-168.2	-156.7	0	0	115
14	K	33.4	Very low	42.2	Very low	190 Å²	190	102.6 Å²	102.6	83%	0.826	55%	0.551	S	S	*	*			trans	-162.8	118.3	135.3	-111	162	-172.7	172.6	0	113.8
15	S	31.9	Very low	42.2	Very low	103 Å²	103	102.7 Å²	102.7	72%	0.72	55%	0.551	S	S	*	*			trans	75.4	152.6	166.6	-55.1	0	0	0	0	117.6
16	P	36	Very low	42.2	Very low	121 Å²	121	102.2 Å²	102.2	79%	0.786	54%	0.544	S	S	*	.			trans	-104.5	137.4	-156.2	37.4	-32.6	0	0	0	115.6
17	L	38.9	Very low	42	Very low	151 Å²	151	101.2 Å²	101.2	79%	0.791	54%	0.537	S	S	*	.			trans	-168	97.5	147.8	-110.5	164.2	0	0	0	109.7	V19	L17-V19 HydrophobicContact CD2-CG2 4.12Å
18	L	39.4	Very low	41.4	Very low	123 Å²	123	100.7 Å²	100.7	64%	0.644	54%	0.54	S	S	*	.			trans	-112	105.8	179.4	-83.1	164.9	0	0	0	110.5
19	V	34.8	Very low	41	Very low	100 Å²	100	105 Å²	105	61%	0.606	56%	0.556	S	S	*	*			trans	-127.8	144.4	179.7	-175.3	0	0	0	0	109.1	L17	L17-V19 HydrophobicContact CD2-CG2 4.12Å
20	N	43.4	Very low	40	Very low	129 Å²	129	106.2 Å²	106.2	69%	0.69	57%	0.567	S	S	*	*	S	Bend	trans	58.8	61.1	-176.5	-62.7	-5	0	0	0	115.1
21	K	39.3	Very low	39.4	Very low	152 Å²	152	106.7 Å²	106.7	66%	0.661	57%	0.574	S	S	*	*			trans	-81.4	138.2	178.7	-59.4	-179.8	178.9	-175.8	0	113.6
22	K	42.6	Very low	38.4	Very low	111 Å²	111	110.3 Å²	110.3	48%	0.483	59%	0.591	S	S	.	*				-142.6	94.5	119.7	-153.4	-173	-166.8	-167	0	112.4	E97 N98	K22-E97 PolarHBondContact N-O 2.94Å; K22-E97 VanDerWaalsContact N-O 3.16Å; K22-N98 WeakPolarHBondContact O-CA 3.35Å
23	L	45.5	Very low	37.7	Very low	112 Å²	112	109.9 Å²	109.9	59%	0.586	58%	0.582	S	S	*	*	B	Isolated β-bridge	trans	-85.5	117	163.2	-159.1	121.8	0	0	0	107.1	V9 V99	V9-L23 HydrophobicContact CG1-CD1 4.49Å; L23-V99 HydrophobicContact CD1-CB 3.94Å; L23-V99 HydrophobicContact CD1-CG1 4.35Å; L23-V99 HydrophobicContact CD1-CG2 4.46Å; L23-V99 HydrophobicContact CG-CB 4.33Å
24	Q	41.9	Very low	37.1	Very low	67 Å²	67	108.6 Å²	108.6	31%	0.313	59%	0.586	S	S	.	*			trans	-129.3	95.1	-177	-178.4	170.4	-8.9	0	0	110.4	T26 V99	Q24-T26 VanDerWaalsContact CG-OG1 3.26Å; Q24-T26 WeakPolarHBondContact CG-OG1 2.96Å; Q24-T26 PolarHBondContact NE2-OG1 3.42Å; Q24-V99 PolarHBondContact N-O 3.4Å
25	V	46.6	Very low	36.8	Very low	64 Å²	64	103.8 Å²	103.8	39%	0.388	58%	0.576	S	S	.	*			trans	-71.4	137.7	153	-177.3	0	0	0	0	107.2	V7 V9 I27 A101	V7-V25 HydrophobicContact CG1-CG1 4.09Å; V9-V25 HydrophobicContact CG2-CG2 3.93Å; V25-I27 HydrophobicContact CG1-CG1 4.49Å; V25-A101 WeakPolarHBondContact CA-O 3.39Å
26	T	42.8	Very low	36.5	Very low	37 Å²	37	105.8 Å²	105.8	23%	0.227	58%	0.584	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-143.2	107.1	169	-64.5	0	0	0	0	108.7	Q24 A101 M103	Q24-T26 VanDerWaalsContact CG-OG1 3.26Å; Q24-T26 WeakPolarHBondContact CG-OG1 2.96Å; Q24-T26 PolarHBondContact NE2-OG1 3.42Å; T26-A101 PolarHBondContact N-O 3.23Å; T26-M103 PolarHBondContact O-N 3.4Å; T26-M103 VanDerWaalsContact O-O 3.12Å
27	I	45.7	Very low	36	Very low	94 Å²	94	107.2 Å²	107.2	48%	0.482	58%	0.58	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-88.5	110	163.3	-61.6	168.9	0	0	0	104.8	V7 V25 M103	V7-I27 HydrophobicContact CB-CD1 4.29Å; V7-I27 HydrophobicContact CG1-CD1 4.39Å; V7-I27 HydrophobicContact CG1-CG1 4.36Å; V7-I27 HydrophobicContact CG2-CD1 4.23Å; V25-I27 HydrophobicContact CG1-CG1 4.49Å; I27-M103 HydrophobicContact CG2-CE 4.19Å
28	G	36.1	Very low	35.5	Very low	25 Å²	25	107 Å²	107	26%	0.258	59%	0.585	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.1	107.4	177	0	0	0	0	0	110	M103 Q105	G28-M103 PolarHBondContact N-O 3.45Å; G28-Q105 PolarHBondContact O-N 3.39Å
29	Q	37.2	Very low	35	Very low	116 Å²	116	107.2 Å²	107.2	54%	0.542	59%	0.587	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-113.3	132	162.6	-71.6	177.2	-28.8	0	0	107.3
30	S	31	Very low	35	Very low	67 Å²	67	107.1 Å²	107.1	47%	0.469	59%	0.589	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-134.4	126.8	175.3	48	0	0	0	0	108.5
31	V	33.1	Very low	34.2	Very low	104 Å²	104	109.3 Å²	109.3	63%	0.63	60%	0.597	S	S	*	*			trans	-141	111	175.2	-180	0	0	0	0	105.6	N33	V31-N33 WeakPolarHBondContact CG1-OD1 3.47Å
32	E	26.8	Very low	33.9	Very low	191 Å²	191	106.1 Å²	106.1	89%	0.893	60%	0.599	S	S	*	*			trans	-105.6	87.1	-179.6	-66.7	-162.8	148.9	0	0	110.3
33	N	28.5	Very low	33.2	Very low	82 Å²	82	106.9 Å²	106.9	44%	0.439	60%	0.604	S	S	.	*			trans	-95.3	142.9	175.5	-69.7	1	0	0	0	110.9	V31 D191	V31-N33 WeakPolarHBondContact CG1-OD1 3.47Å; N33-D191 PolarHBondContact ND2-OD2 2.91Å
34	T	24.6	Very low	32.4	Very low	142 Å²	142	108 Å²	108	87%	0.871	62%	0.615	S	S	*	*			trans	-137.4	119.7	177.9	-59.1	0	0	0	0	110.8
35	S	27	Very low	31.8	Very low	89 Å²	89	109.1 Å²	109.1	62%	0.622	63%	0.629	S	S	*	*			trans	-161.7	176.8	-179.9	-164	0	0	0	0	113.5
36	T	26.1	Very low	31.1	Very low	144 Å²	144	111.4 Å²	111.4	88%	0.883	64%	0.643	S	S	*	*			trans	-137.6	165.8	-178.4	42.6	0	0	0	0	113.5
37	Q	25.3	Very low	30.5	Very low	151 Å²	151	115.2 Å²	115.2	71%	0.706	67%	0.666	S	S	*	*			trans	-127.1	154.1	-149.8	177.8	-163.5	-7.8	0	0	116.1	D39	Q37-D39 PolarHBondContact NE2-OD1 2.73Å
38	T	28.4	Very low	30	Very low	147 Å²	147	115.5 Å²	115.5	90%	0.902	67%	0.668	S	S	*	*			trans	-151.9	163.7	145.9	-39	0	0	0	0	111.4
39	D	29	Very low	29.7	Very low	128 Å²	128	119 Å²	119	68%	0.684	69%	0.686	S	S	*	*			trans	-107.3	168.8	-151.5	-81.6	-12.8	0	0	0	120.1	Q37	Q37-D39 PolarHBondContact NE2-OD1 2.73Å
40	P	33.3	Very low	29.9	Very low	98 Å²	98	118.4 Å²	118.4	64%	0.636	68%	0.682	S	S	*	*			trans	-125.6	-174.4	-161.7	44.8	-31.6	0	0	0	118.1	M117	P40-M117 HydrophobicContact CB-SD 4.07Å; P40-M117 HydrophobicContact CG-SD 4.47Å
41	M	28.2	Very low	30.9	Very low	174 Å²	174	117 Å²	117	86%	0.857	67%	0.67	S	S	*	*			trans	-151.3	130.6	174.2	-77.1	-169.1	65.3	0	0	118.4
42	A	31.4	Very low	31.7	Very low	86 Å²	86	114.6 Å²	114.6	71%	0.711	66%	0.655	S	S	*	*			trans	63.3	152.9	150.8	0	0	0	0	0	124	M117	A42-M117 VanDerWaalsContact O-CE 3.29Å; A42-M117 WeakPolarHBondContact O-CE 3.47Å
43	Q	28.4	Very low	33.3	Very low	127 Å²	127	109.8 Å²	109.8	59%	0.593	63%	0.632	S	S	*	*			trans	-142.5	156.9	-171.2	-69	169.6	-32.6	0	0	115	M117 A118	Q43-M117 HydrophobicContact CG-CE 3.55Å; Q43-A118 PolarHBondContact NE2-O 3.01Å
44	V	28.7	Very low	35	Very low	135 Å²	135	110.7 Å²	110.7	82%	0.818	64%	0.637	S	S	*	*			trans	-149.7	140.8	157.8	-174.7	0	0	0	0	110.1
45	P	29.4	Very low	37	Very low	91 Å²	91	105.8 Å²	105.8	59%	0.591	61%	0.606	S	S	*	*			trans	-99.9	150.8	-176.7	37.5	-35.1	0	0	0	115.8	V120	P45-V120 HydrophobicContact CB-CG2 3.5Å
46	T	31.8	Very low	38.6	Very low	112 Å²	112	103.4 Å²	103.4	69%	0.687	59%	0.588	S	S	*	*			trans	-149.1	155.1	176.8	-56.2	0	0	0	0	111.6
47	V	30.8	Very low	40.2	Very low	117 Å²	117	99 Å²	99	71%	0.709	56%	0.561	S	S	*	*			trans	-96.5	134.5	174.4	-179.9	0	0	0	0	110.6
48	L	35.3	Very low	41.7	Very low	100 Å²	100	94.3 Å²	94.3	52%	0.524	54%	0.539	S	S	.	.			trans	-93.5	138.9	-173	-74.4	163.2	0	0	0	114.3	T122	L48-T122 HydrophobicContact CB-CG2 4.16Å; L48-T122 HydrophobicContact CD1-CG2 4.38Å
49	P	30.1	Very low	43.1	Very low	97 Å²	97	90 Å²	90	63%	0.63	52%	0.515	S	S	*	.			trans	-88.3	-175.7	171.6	38.3	-36.3	0	0	0	112.3	T51 P125	P49-T51 PolarHBondContact O-N 2.9Å; P49-P125 WeakPolarHBondContact O-CG 3.43Å
50	K	41.6	Very low	44.6	Very low	105 Å²	105	85.5 Å²	85.5	46%	0.457	50%	0.499	S	S	.	.			trans	-53.3	110.3	177.7	-173.8	-173.1	177.4	-69.7	0	111.9	T52 P125 K126	K50-T52 PolarHBondContact NZ-OG1 2.66Å; K50-T52 PolarHBondContact O-N 2.63Å; K50-P125 VanDerWaalsContact CA-CG 3.44Å; K50-P125 HydrophobicContact CB-CB 4.31Å; K50-P125 HydrophobicContact CB-CG 4.44Å; K50-K126 VanDerWaalsContact CE-O 3.27Å; K50-K126 WeakPolarHBondContact CE-O 3.46Å; K50-K126 WeakPolarHBondContact CG-O 3.19Å; K50-K126 PolarHBondContact NZ-O 2.76Å
51	T	51.2	Low	45.9	Very low	38 Å²	38	84.8 Å²	84.8	23%	0.233	49%	0.493	C	S	.	.			trans	-83.5	98.8	170.1	45.5	0	0	0	0	110	P49 T127	P49-T51 PolarHBondContact O-N 2.9Å; T51-T127 WeakPolarHBondContact O-CA 3.39Å
52	T	49.6	Very low	47.3	Very low	52 Å²	52	78.3 Å²	78.3	32%	0.319	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	144.2	148.4	-50.2	0	0	0	0	107.2	K50 D54 D130	K50-T52 PolarHBondContact NZ-OG1 2.66Å; K50-T52 PolarHBondContact O-N 2.63Å; T52-D54 WeakPolarHBondContact CG2-OD1 3.46Å; T52-D130 WeakPolarHBondContact CG2-OD1 3.34Å
53	F	61.4	Low	48.8	Very low	91 Å²	91	81 Å²	81	40%	0.399	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	88.7	171.3	-74.2	-77.1	0	0	0	107.3	V55 V56 T127 T128 F129 D130	F53-V55 VanDerWaalsContact C-N 3.29Å; F53-V55 PolarHBondContact O-N 3.26Å; F53-V56 HydrophobicContact CB-CG2 4.14Å; F53-T127 HydrophobicContact CD2-CG2 3.71Å; F53-T127 HydrophobicContact CE2-CG2 3.87Å; F53-T128 PolarHBondContact N-O 2.87Å; F53-F129 HydrophobicContact CB-CD1 3.46Å; F53-F129 VanDerWaalsContact CB-CD1 3.46Å; F53-F129 HydrophobicContact CB-CE1 3.79Å; F53-F129 HydrophobicContact CB-CG 4.33Å; F53-F129 AromaticContact CD2-CD1 3.91Å; F53-F129 HydrophobicContact CD2-CD1 3.91Å; F53-F129 AromaticContact CD2-CE1 3.4Å; F53-F129 HydrophobicContact CD2-CE1 3.4Å; F53-F129 AromaticContact CD2-CZ 3.85Å; F53-F129 HydrophobicContact CD2-CZ 3.85Å; F53-F129 HydrophobicContact CE2-CE1 4.09Å; F53-F129 HydrophobicContact CE2-CZ 4.26Å; F53-F129 AromaticContact CG-CD1 3.95Å; F53-F129 HydrophobicContact CG-CD1 3.95Å; F53-F129 AromaticContact CG-CE1 3.72Å; F53-F129 HydrophobicContact CG-CE1 3.72Å; F53-F129 WeakPolarHBondContact O-CA 3.27Å; F53-D130 PolarHBondContact O-N 3.44Å; F53-D130 VanDerWaalsContact O-N 3.1Å
54	D	63.5	Low	50	Low	100 Å²	100	77.9 Å²	77.9	54%	0.535	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.5	-49	-172.7	-45.1	-1.7	0	0	0	109.5	T52 D130 V131	T52-D54 WeakPolarHBondContact CG2-OD1 3.46Å; D54-D130 CarbonylContact O-C 3.15Å; D54-D130 WeakPolarHBondContact O-CB 3.32Å; D54-V131 PolarHBondContact O-N 3.45Å
55	V	66.4	Low	50.7	Low	39 Å²	39	75 Å²	75	24%	0.236	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	139.7	170.3	179.3	0	0	0	0	114	F53 V131	F53-V55 VanDerWaalsContact C-N 3.29Å; F53-V55 PolarHBondContact O-N 3.26Å; V55-V131 CarbonylContact C-O 3.59Å; V55-V131 WeakPolarHBondContact CA-O 3.49Å; V55-V131 HydrophobicContact CB-CB 4.39Å; V55-V131 HydrophobicContact CG1-CB 4.21Å; V55-V131 HydrophobicContact CG2-CB 3.83Å; V55-V131 HydrophobicContact CG2-CG2 3.88Å
56	V	60.9	Low	51.5	Low	40 Å²	40	75.8 Å²	75.8	24%	0.242	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	121.5	169.1	-179.9	0	0	0	0	109.5	F53 F129 V131 V132 T133	F53-V56 HydrophobicContact CB-CG2 4.14Å; V56-F129 HydrophobicContact CG2-CD1 3.85Å; V56-F129 HydrophobicContact CG2-CE1 4.03Å; V56-V131 PolarHBondContact N-O 3.22Å; V56-V132 HydrophobicContact CB-CG2 4.49Å; V56-V132 CarbonylContact O-C 3.05Å; V56-V132 WeakPolarHBondContact O-CA 3.5Å; V56-T133 PolarHBondContact O-N 3.31Å
57	T	60.3	Low	52.1	Low	51 Å²	51	70.6 Å²	70.6	31%	0.313	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	132.2	177.8	-62.7	0	0	0	0	111.8	T133	T57-T133 CarbonylContact C-O 3.44Å; T57-T133 VanDerWaalsContact CA-O 3.3Å; T57-T133 WeakPolarHBondContact CA-O 3.44Å; T57-T133 HydrophobicContact CG2-CG2 4.37Å
58	Q	56.4	Low	53.1	Low	52 Å²	52	66.1 Å²	66.1	24%	0.243	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	125.4	171.9	-179.5	-177.6	68	0	0	109.7	T70 T133 Q134 S135	Q58-T70 PolarHBondContact NE2-O 3.14Å; Q58-T133 PolarHBondContact N-O 3.32Å; Q58-Q134 CarbonylContact O-C 3.37Å; Q58-Q134 WeakPolarHBondContact O-CA 3.47Å; Q58-S135 PolarHBondContact O-N 2.98Å
59	S	58.5	Low	53.7	Low	58 Å²	58	62.1 Å²	62.1	41%	0.406	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	138.2	173.9	64.4	0	0	0	0	113.7	S135	S59-S135 WeakPolarHBondContact CA-O 3.41Å
60	G	59	Low	54.5	Low	32 Å²	32	58.7 Å²	58.7	33%	0.33	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	174.8	164.1	171.6	0	0	0	0	0	116.4	Q69 S135 G136 T137	G60-Q69 PolarHBondContact O-NE2 3.38Å; G60-Q69 VanDerWaalsContact O-NE2 3.17Å; G60-S135 PolarHBondContact N-O 3.23Å; G60-S135 VanDerWaalsContact N-O 3.13Å; G60-G136 WeakPolarHBondContact O-CA 3.36Å; G60-T137 PolarHBondContact O-N 3.2Å
61	T	61.7	Low	54.6	Low	84 Å²	84	55.2 Å²	55.2	52%	0.515	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	133.5	179.2	-60	0	0	0	0	110.8	T137	T61-T137 CarbonylContact C-O 3.14Å; T61-T137 WeakPolarHBondContact CA-O 3.49Å; T61-T137 HydrophobicContact CG2-CG2 4.27Å
62	V	56.2	Low	53.8	Low	38 Å²	38	59.3 Å²	59.3	23%	0.23	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	127.1	-176.4	-173.6	0	0	0	0	110.4	T137 H139	V62-T137 PolarHBondContact N-O 3.08Å; V62-H139 PolarHBondContact O-N 3.22Å
63	H	63.3	Low	53.1	Low	143 Å²	143	60.8 Å²	60.8	66%	0.662	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.5	94.5	-179.3	-172.8	-63	0	0	0	112.2	H139	H63-H139 WeakPolarHBondContact CA-O 3.48Å; H63-H139 AromaticContact CD2-CG 3.75Å; H63-H139 AromaticContact CD2-ND1 3.22Å; H63-H139 PolarHBondContact CD2-ND1 3.1Å; H63-H139 AromaticContact NE2-CE1 3.71Å; H63-H139 AromaticContact NE2-ND1 3.04Å; H63-H139 PolarHBondContact NE2-ND1 3.42Å
64	C	54.7	Low	51.8	Low	61 Å²	61	63.4 Å²	63.4	41%	0.412	37%	0.365	S	S	.	.	S	Bend	trans	-153.7	-177.2	-178.8	50.1	0	0	0	0	111.1	Q66 H139 C140	C64-Q66 PolarHBondContact SG-O 2.69Å; C64-H139 PolarHBondContact N-O 2.94Å; C64-C140 WeakPolarHBondContact O-CA 3.4Å; C64-C140 WeakPolarHBondContact O-CB 3.29Å
65	A	42.3	Very low	50.3	Low	74 Å²	74	61.7 Å²	61.7	61%	0.612	35%	0.351	S	S	*	.	S	Bend	trans	-69	-41.8	-178	0	0	0	0	0	112.8	A141 Q142	A65-A141 WeakPolarHBondContact O-CA 3.49Å; A65-A141 VanDerWaalsContact O-CB 3.27Å; A65-A141 WeakPolarHBondContact O-CB 3.49Å; A65-A141 PolarHBondContact O-N 3.29Å; A65-Q142 PolarHBondContact O-N 3.03Å
66	Q	45.7	Very low	48.7	Very low	108 Å²	108	61.5 Å²	61.5	51%	0.505	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	142	179.7	-65.3	169.6	-42.6	0	0	107.5	C64 Q142 T264	C64-Q66 PolarHBondContact SG-O 2.69Å; Q66-Q142 WeakPolarHBondContact CA-O 3.13Å; Q66-Q142 HydrophobicContact CG-CB 4.38Å; Q66-T264 HydrophobicContact CB-CG2 4.22Å; Q66-T264 HydrophobicContact CG-CG2 3.91Å
67	S	44.6	Very low	47.7	Very low	3 Å²	3	59.7 Å²	59.7	2%	0.021	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	138.6	-169.3	54.9	0	0	0	0	114.6	V138 C140 Q142 S143 V144	S67-V138 WeakPolarHBondContact OG-CG1 3.45Å; S67-C140 PolarHBondContact OG-SG 3.23Å; S67-C140 VanDerWaalsContact OG-SG 3.33Å; S67-Q142 PolarHBondContact N-O 2.71Å; S67-Q142 VanDerWaalsContact N-O 3.11Å; S67-S143 WeakPolarHBondContact O-CA 3.36Å; S67-V144 PolarHBondContact O-N 2.91Å
68	V	53.6	Low	46.7	Very low	23 Å²	23	58 Å²	58	14%	0.139	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	147.3	165.3	177.6	0	0	0	0	110.3	T70 V144 T146 T264 Q265	V68-T70 WeakPolarHBondContact CG1-OG1 2.97Å; V68-V144 WeakPolarHBondContact CA-O 3.4Å; V68-V144 HydrophobicContact CG1-CG1 4.24Å; V68-V144 HydrophobicContact CG2-CB 3.99Å; V68-V144 HydrophobicContact CG2-CG1 4.24Å; V68-T146 HydrophobicContact CG1-CG2 4.39Å; V68-T264 WeakPolarHBondContact CG2-O 3.13Å; V68-Q265 VanDerWaalsContact CG2-C 3.48Å; V68-Q265 HydrophobicContact CG2-CB 3.48Å; V68-Q265 VanDerWaalsContact CG2-CB 3.48Å; V68-Q265 HydrophobicContact CG2-CG 4.01Å; V68-Q265 WeakPolarHBondContact CG2-O 3.45Å
69	Q	46.8	Very low	46.3	Very low	15 Å²	15	57.6 Å²	57.6	7%	0.07	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	112	166.6	-172.6	172.8	42	0	0	109.8	G60 Q134 V144 Q145 T146	G60-Q69 PolarHBondContact O-NE2 3.38Å; G60-Q69 VanDerWaalsContact O-NE2 3.17Å; Q69-Q134 PolarHBondContact O-NE2 3.47Å; Q69-V144 PolarHBondContact N-O 3.16Å; Q69-Q145 HydrophobicContact CB-CG 4.45Å; Q69-T146 PolarHBondContact O-N 3.11Å
70	T	47.8	Very low	45.8	Very low	25 Å²	25	55 Å²	55	15%	0.153	31%	0.308	C	S	.	.			trans	-138.9	164.2	-179.2	-36.7	0	0	0	0	110.9	Q58 V68 T146	Q58-T70 PolarHBondContact NE2-O 3.14Å; V68-T70 WeakPolarHBondContact CG1-OG1 2.97Å; T70-T146 HydrophobicContact CG2-CG2 3.73Å; T70-T146 VanDerWaalsContact OG1-CG2 3.25Å; T70-T146 WeakPolarHBondContact OG1-CG2 3.48Å
71	I	42	Very low	45.4	Very low	33 Å²	33	55.9 Å²	55.9	17%	0.169	31%	0.306	C	S	.	.			trans	-92	138.5	169.9	-56.2	176.7	0	0	0	108.6	V132	I71-V132 HydrophobicContact CD1-CG1 4.07Å
72	P	34.4	Very low	45.1	Very low	123 Å²	123	54.9 Å²	54.9	80%	0.799	30%	0.298	S	S	*	.			trans	-77.8	141.2	-168.9	29.1	-36.4	0	0	0	115.8
73	E	36.1	Very low	45	Very low	84 Å²	84	53.1 Å²	53.1	39%	0.393	29%	0.287	S	S	.	.			trans	-141.4	-178.6	-165.3	-75.2	-163.6	103.7	0	0	118.8	P148 E149 P268	E73-P148 WeakPolarHBondContact OE1-CB 3.49Å; E73-P148 WeakPolarHBondContact OE2-CA 3.35Å; E73-P148 WeakPolarHBondContact OE2-CB 3.44Å; E73-E149 PolarHBondContact OE2-N 3.35Å; E73-P268 HydrophobicContact CB-CG 4.17Å; E73-P268 WeakPolarHBondContact O-CG 3.21Å
74	E	33.4	Very low	44.9	Very low	145 Å²	145	46.7 Å²	46.7	68%	0.678	26%	0.26	S	S	*	.			trans	-78.9	-154.3	-178.2	-70.5	-138.5	143.6	0	0	114.8	R151 P268	E74-R151 WeakPolarHBondContact O-CD 3.43Å; E74-R151 PolarHBondContact O-NE 3.06Å; E74-P268 WeakPolarHBondContact O-CB 3.41Å; E74-P268 WeakPolarHBondContact O-CG 3.47Å
75	R	32.1	Very low	45.3	Very low	65 Å²	65	44 Å²	44	25%	0.245	24%	0.242	C	C	.	.			trans	-132.7	157.8	-143.6	-71.9	-137.9	164.7	156.9	7.3	121.5	D191 P192 P268 M269 A270	R75-D191 VanDerWaalsContact NH2-C 3.27Å; R75-P192 HydrophobicContact CG-CB 4.33Å; R75-P192 HydrophobicContact CG-CG 4.39Å; R75-P192 PolarHBondContact NH1-O 3.12Å; R75-P268 HydrophobicContact CG-CB 4.19Å; R75-M269 VanDerWaalsContact C-CA 3.48Å; R75-M269 VanDerWaalsContact C-N 3.33Å; R75-M269 HydrophobicContact CB-CB 4.31Å; R75-A270 HydrophobicContact CB-CB 3.81Å; R75-A270 PolarHBondContact O-N 3.37Å; R75-A270 VanDerWaalsContact O-O 3.1Å
76	P	33.5	Very low	46	Very low	34 Å²	34	42.6 Å²	42.6	22%	0.221	22%	0.224	C	C	.	.			trans	-72	98.3	-178.7	0.5	0.2	0	0	0	131.7	F78 P268 M269 A270	P76-F78 HydrophobicContact CB-CE2 4.47Å; P76-F78 WeakPolarHBondContact O-CD2 3.48Å; P76-F78 VanDerWaalsContact O-CE2 3.28Å; P76-F78 WeakPolarHBondContact O-CE2 3.36Å; P76-P268 VanDerWaalsContact CB-C 3.41Å; P76-M269 CarbonylContact C-O 3.49Å; P76-M269 HydrophobicContact CB-CB 3.56Å; P76-M269 HydrophobicContact CB-CG 4.21Å; P76-M269 VanDerWaalsContact CD-C 3.46Å; P76-M269 HydrophobicContact CG-CB 2.76Å; P76-M269 HydrophobicContact CG-CG 2.98Å; P76-M269 CarbonylContact O-C 3.55Å; P76-M269 WeakPolarHBondContact O-CA 3.4Å; P76-M269 VanDerWaalsContact O-O 3.05Å; P76-A270 PolarHBondContact O-N 2.97Å
77	V	38.9	Very low	46.5	Very low	3 Å²	3	38.3 Å²	38.3	2%	0.018	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	139.9	-154.9	-149.4	0	0	0	0	118.9	P152 V153 F154 A270 Q271	V77-P152 VanDerWaalsContact CG2-O 3.25Å; V77-P152 WeakPolarHBondContact CG2-O 3.45Å; V77-P152 PolarHBondContact N-O 3.05Å; V77-V153 HydrophobicContact CG2-CB 4.48Å; V77-V153 HydrophobicContact CG2-CG2 3.76Å; V77-F154 VanDerWaalsContact O-CB 3.31Å; V77-F154 WeakPolarHBondContact O-CB 3.12Å; V77-F154 WeakPolarHBondContact O-CD2 3.41Å; V77-F154 PolarHBondContact O-N 3.46Å; V77-A270 WeakPolarHBondContact CG2-O 3.49Å; V77-Q271 HydrophobicContact CB-CB 3.93Å; V77-Q271 HydrophobicContact CB-CG 3.55Å; V77-Q271 HydrophobicContact CG1-CB 3.42Å; V77-Q271 VanDerWaalsContact CG1-CB 3.42Å; V77-Q271 HydrophobicContact CG1-CG 3.5Å; V77-Q271 HydrophobicContact CG2-CB 3.78Å; V77-Q271 HydrophobicContact CG2-CG 3.46Å; V77-Q271 VanDerWaalsContact CG2-CG 3.46Å
78	F	40.9	Very low	46.8	Very low	14 Å²	14	41.6 Å²	41.6	6%	0.061	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	110.3	161	-42.8	-82.4	0	0	0	111.2	F2 H3 P76 F154	F2-F78 HydrophobicContact CD1-CB 4.22Å; F2-F78 AromaticContact CD1-CD2 3.66Å; F2-F78 HydrophobicContact CD1-CD2 3.66Å; F2-F78 HydrophobicContact CD1-CG 4.29Å; F2-F78 AromaticContact CE1-CD2 3.4Å; F2-F78 HydrophobicContact CE1-CD2 3.4Å; F2-F78 VanDerWaalsContact CE1-CD2 3.4Å; F2-F78 AromaticContact CE1-CE2 3.84Å; F2-F78 HydrophobicContact CE1-CE2 3.84Å; F2-F78 HydrophobicContact CE1-CG 4.28Å; F2-F78 HydrophobicContact CZ-CD2 4.49Å; H3-F78 PolarHBondContact N-O 3.3Å; P76-F78 HydrophobicContact CB-CE2 4.47Å; P76-F78 WeakPolarHBondContact O-CD2 3.48Å; P76-F78 VanDerWaalsContact O-CE2 3.28Å; P76-F78 WeakPolarHBondContact O-CE2 3.36Å; F78-F154 HydrophobicContact CD1-CB 4.22Å; F78-F154 AromaticContact CD1-CD2 3.82Å; F78-F154 HydrophobicContact CD1-CD2 3.82Å; F78-F154 HydrophobicContact CD1-CG 4.19Å; F78-F154 AromaticContact CE1-CD2 3.66Å; F78-F154 HydrophobicContact CE1-CD2 3.66Å; F78-F154 AromaticContact CE1-CE2 3.91Å; F78-F154 HydrophobicContact CE1-CE2 3.91Å; F78-F154 HydrophobicContact CE1-CG 4.39Å
79	H	46.9	Very low	46.4	Very low	44 Å²	44	41.8 Å²	41.8	20%	0.204	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	131.9	156.3	-102.5	83.8	0	0	0	109.5	H3 F154 T156 Q271	H3-H79 WeakPolarHBondContact CB-NE2 3.37Å; H3-H79 AromaticContact CG-CE1 3.9Å; H3-H79 AromaticContact CG-NE2 3.81Å; H3-H79 AromaticContact ND1-CE1 3.89Å; H79-F154 PolarHBondContact N-O 3.27Å; H79-T156 PolarHBondContact O-N 3.28Å; H79-Q271 PolarHBondContact ND1-OE1 3.32Å
80	T	49.1	Very low	45.9	Very low	5 Å²	5	50.8 Å²	50.8	3%	0.031	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	117.9	174	-57.3	0	0	0	0	108.6	H3 T4 A5 V83 T156 M179	H3-T80 PolarHBondContact O-N 3.42Å; T4-T80 WeakPolarHBondContact CA-O 3.4Å; A5-T80 PolarHBondContact N-O 3.27Å; T80-V83 HydrophobicContact CG2-CG2 3.78Å; T80-T156 WeakPolarHBondContact CA-O 3.31Å; T80-M179 HydrophobicContact CG2-CE 3.93Å; T80-M179 HydrophobicContact CG2-SD 3.81Å
81	V	49.5	Very low	45.7	Very low	49 Å²	49	51.9 Å²	51.9	30%	0.297	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	-35.2	-167.4	-174.3	0	0	0	0	112.9	A5 T156 V157	A5-V81 CarbonylContact C-O 3.5Å; A5-V81 WeakPolarHBondContact CB-O 3.46Å; V81-T156 PolarHBondContact N-O 2.74Å; V81-T156 VanDerWaalsContact N-O 3.1Å; V81-V157 WeakPolarHBondContact CB-O 3.48Å
82	N	54.9	Low	45.2	Very low	63 Å²	63	57.9 Å²	57.9	34%	0.337	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	135.8	172.7	-84.8	-75.4	0	0	0	112.7	V157 S158 V159	N82-V157 PolarHBondContact N-O 2.85Å; N82-V157 VanDerWaalsContact N-O 3.09Å; N82-S158 WeakPolarHBondContact O-CA 3.44Å; N82-V159 PolarHBondContact O-N 3.15Å; N82-V159 VanDerWaalsContact O-N 3.13Å
83	V	55.7	Low	45.5	Very low	1 Å²	1	56.7 Å²	56.7	1%	0.006	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	106.9	163	-178.7	0	0	0	0	108.5	T80 M179	T80-V83 HydrophobicContact CG2-CG2 3.78Å; V83-M179 HydrophobicContact CG1-CB 4.41Å; V83-M179 HydrophobicContact CG2-CB 4.29Å; V83-M179 HydrophobicContact CG2-SD 3.64Å
84	G	60.8	Low	45.7	Very low	9 Å²	9	55.8 Å²	55.8	9%	0.093	30%	0.296	C	S	.	.			trans	-155.6	-177.3	-165.8	0	0	0	0	0	116.1	S8 V159 A177	S8-G84 WeakPolarHBondContact O-CA 3.5Å; G84-V159 PolarHBondContact N-O 3.29Å; G84-A177 WeakPolarHBondContact O-CB 3.45Å
85	V	61.5	Low	46.2	Very low	4 Å²	4	53.6 Å²	53.6	2%	0.024	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	112.1	170.9	-179.8	0	0	0	0	105.9	L87 L161 L175 A177	V85-L87 HydrophobicContact CG1-CG 4.43Å; V85-L161 HydrophobicContact CB-CB 4.48Å; V85-L161 HydrophobicContact CG1-CB 4.11Å; V85-L161 HydrophobicContact CG2-CB 4.22Å; V85-L161 HydrophobicContact CG2-CD1 4.3Å; V85-L175 HydrophobicContact CG1-CD1 4.4Å; V85-A177 HydrophobicContact CG2-CB 4.03Å
86	D	57.3	Low	47	Very low	44 Å²	44	52.1 Å²	52.1	24%	0.235	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	138.1	177.9	-169.4	27.7	0	0	0	112	T88 L161 H163	D86-T88 VanDerWaalsContact OD2-CG2 3.27Å; D86-T88 WeakPolarHBondContact OD2-CG2 3.41Å; D86-T88 PolarHBondContact OD2-OG1 3.39Å; D86-T88 VanDerWaalsContact OD2-OG1 3.12Å; D86-L161 PolarHBondContact N-O 2.84Å; D86-H163 PolarHBondContact O-N 3.21Å
87	L	57.8	Low	47.5	Very low	18 Å²	18	55.8 Å²	55.8	9%	0.094	30%	0.298	C	S	.	.			trans	-133.8	62.1	-172.8	-70.9	172.8	0	0	0	109.7	V85 G89 Y96 H163 L170 L175	V85-L87 HydrophobicContact CG1-CG 4.43Å; L87-G89 PolarHBondContact O-N 2.68Å; L87-Y96 HydrophobicContact CD1-CE2 4.39Å; L87-H163 HydrophobicContact CD2-CB 4.15Å; L87-L170 HydrophobicContact CD2-CD1 4.43Å; L87-L175 HydrophobicContact CD2-CD1 4.49Å
88	T	49.7	Very low	48.4	Very low	72 Å²	72	58.5 Å²	58.5	44%	0.442	31%	0.312	S	S	.	.			trans	-77.9	83.5	-177.8	26	0	0	0	0	112.3	D86	D86-T88 VanDerWaalsContact OD2-CG2 3.27Å; D86-T88 WeakPolarHBondContact OD2-CG2 3.41Å; D86-T88 PolarHBondContact OD2-OG1 3.39Å; D86-T88 VanDerWaalsContact OD2-OG1 3.12Å
89	G	46.2	Very low	49.1	Very low	27 Å²	27	58.2 Å²	58.2	28%	0.278	31%	0.311	S	S	.	.	S	Bend	trans	-159.9	162.3	178.7	0	0	0	0	0	115.6	L87 L91	L87-G89 PolarHBondContact O-N 2.68Å; G89-L91 PolarHBondContact O-N 3.2Å; G89-L91 VanDerWaalsContact O-N 3.17Å
90	K	36.3	Very low	49.6	Very low	204 Å²	204	58 Å²	58	89%	0.887	31%	0.31	S	S	*	.			trans	-84.5	77.8	175.6	-76.2	-173	177.1	180	0	111.5
91	L	42.1	Very low	49.9	Very low	48 Å²	48	57.8 Å²	57.8	25%	0.251	31%	0.309	S	S	.	.			trans	-93.8	116.9	-178.4	-75.9	162.8	0	0	0	113	G89 P168	G89-L91 PolarHBondContact O-N 3.2Å; G89-L91 VanDerWaalsContact O-N 3.17Å; L91-P168 HydrophobicContact CD2-CB 4.27Å
92	Q	32.3	Very low	50.4	Low	160 Å²	160	55.9 Å²	55.9	75%	0.748	30%	0.298	S	S	*	.			trans	-109.5	151.6	151.3	-81.8	-171.4	-38.3	0	0	108.5
93	S	40.2	Very low	50.7	Low	97 Å²	97	53.3 Å²	53.3	68%	0.678	28%	0.284	S	S	*	.	S	Bend	trans	65.6	110.9	-159.8	73.4	0	0	0	0	113.2
94	V	40.7	Very low	50.5	Low	65 Å²	65	59.6 Å²	59.6	39%	0.394	31%	0.307	S	S	.	.			trans	-119.2	126.6	-179.4	175	0	0	0	0	108	Y96	V94-Y96 HydrophobicContact CG1-CD2 4.32Å
95	L	43.7	Very low	50.2	Low	99 Å²	99	60 Å²	60	52%	0.518	31%	0.307	S	S	.	.			trans	-154.9	85	171.5	-144.6	151.5	0	0	0	111.9
96	Y	49.8	Very low	49.2	Very low	35 Å²	35	61.8 Å²	61.8	14%	0.137	32%	0.32	C	S	.	.			trans	-111.9	131.4	167.6	-59.4	-75.9	0	0	0	109	L87 V94 V99 L170 L175	L87-Y96 HydrophobicContact CD1-CE2 4.39Å; V94-Y96 HydrophobicContact CG1-CD2 4.32Å; Y96-V99 HydrophobicContact CD1-CG2 4.33Å; Y96-V99 HydrophobicContact CD2-CG2 4.01Å; Y96-V99 HydrophobicContact CG-CG2 3.83Å; Y96-L170 HydrophobicContact CE1-CB 4.02Å; Y96-L170 HydrophobicContact CE1-CD1 4.24Å; Y96-L170 WeakPolarHBondContact OH-CD1 3.31Å; Y96-L175 HydrophobicContact CD1-CD1 4.33Å; Y96-L175 HydrophobicContact CE1-CD1 3.78Å; Y96-L175 HydrophobicContact CE1-CG 4.33Å
97	E	43.6	Very low	48.7	Very low	111 Å²	111	61.5 Å²	61.5	52%	0.519	32%	0.32	S	S	.	.	S	Bend	trans	-71.5	-44.4	171.6	-68.7	-172.3	121.9	0	0	111.2	K22	K22-E97 PolarHBondContact N-O 2.94Å; K22-E97 VanDerWaalsContact N-O 3.16Å
98	N	57	Low	47.6	Very low	60 Å²	60	67.5 Å²	67.5	32%	0.321	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	121	-179.4	-64.9	-93.6	0	0	0	112.3	K22 K173 K174 L175	K22-N98 WeakPolarHBondContact O-CA 3.35Å; N98-K173 PolarHBondContact N-O 3.28Å; N98-K174 HydrophobicContact CB-CG 4.19Å; N98-K174 WeakPolarHBondContact O-CA 3.36Å; N98-L175 PolarHBondContact O-N 3.18Å; N98-L175 VanDerWaalsContact O-N 3.17Å
99	V	56.1	Low	46.9	Very low	7 Å²	7	67 Å²	67	4%	0.042	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	123.1	161.4	-179.6	0	0	0	0	107.2	V9 L23 Q24 Y96	V9-V99 HydrophobicContact CG1-CG1 4.48Å; L23-V99 HydrophobicContact CD1-CB 3.94Å; L23-V99 HydrophobicContact CD1-CG1 4.35Å; L23-V99 HydrophobicContact CD1-CG2 4.46Å; L23-V99 HydrophobicContact CG-CB 4.33Å; Q24-V99 PolarHBondContact N-O 3.4Å; Y96-V99 HydrophobicContact CD1-CG2 4.33Å; Y96-V99 HydrophobicContact CD2-CG2 4.01Å; Y96-V99 HydrophobicContact CG-CG2 3.83Å
100	Q	57.8	Low	46	Very low	39 Å²	39	71.6 Å²	71.6	18%	0.182	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	104.5	-169.7	-178.6	173.5	12.9	0	0	111.7	T102 L175 Q176 A177	Q100-T102 VanDerWaalsContact CG-OG1 3.23Å; Q100-T102 WeakPolarHBondContact CG-OG1 3.38Å; Q100-T102 PolarHBondContact NE2-OG1 2.97Å; Q100-L175 PolarHBondContact N-O 3.25Å; Q100-Q176 HydrophobicContact CB-CG 4.43Å; Q100-Q176 HydrophobicContact CG-CG 4.47Å; Q100-Q176 WeakPolarHBondContact O-CA 3.15Å; Q100-A177 PolarHBondContact O-N 3.16Å; Q100-A177 VanDerWaalsContact O-N 3.09Å; Q100-A177 VanDerWaalsContact O-O 3.12Å
101	A	55.4	Low	45.6	Very low	1 Å²	1	64.7 Å²	64.7	1%	0.008	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	133.2	155.4	0	0	0	0	0	108.3	V9 V25 T26	V9-A101 HydrophobicContact CG2-CB 4.15Å; V25-A101 WeakPolarHBondContact CA-O 3.39Å; T26-A101 PolarHBondContact N-O 3.23Å
102	T	60.2	Low	44.8	Very low	9 Å²	9	67.8 Å²	67.8	6%	0.055	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	116.7	179.2	-67.3	0	0	0	0	110.7	Q100 R104 A177 T178 M179	Q100-T102 VanDerWaalsContact CG-OG1 3.23Å; Q100-T102 WeakPolarHBondContact CG-OG1 3.38Å; Q100-T102 PolarHBondContact NE2-OG1 2.97Å; T102-R104 HydrophobicContact CG2-CG 4.07Å; T102-A177 PolarHBondContact N-O 3.36Å; T102-A177 VanDerWaalsContact N-O 3.16Å; T102-T178 WeakPolarHBondContact O-CA 3.43Å; T102-M179 PolarHBondContact O-N 3.43Å
103	M	61	Low	44.5	Very low	10 Å²	10	63.3 Å²	63.3	5%	0.049	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	120.6	167.9	-170.5	175.9	78.9	0	0	107.1	T4 T26 I27 G28	T4-M103 HydrophobicContact CG2-CE 4.29Å; T26-M103 PolarHBondContact O-N 3.4Å; T26-M103 VanDerWaalsContact O-O 3.12Å; I27-M103 HydrophobicContact CG2-CE 4.19Å; G28-M103 PolarHBondContact N-O 3.45Å
104	R	51.9	Low	43.9	Very low	132 Å²	132	65 Å²	65	50%	0.498	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	130.7	169.9	-75	-171.3	176.1	-153.8	-3.7	109.2	T102 M179 R180 Q181	T102-R104 HydrophobicContact CG2-CG 4.07Å; R104-M179 PolarHBondContact N-O 3.48Å; R104-M179 VanDerWaalsContact N-O 3.11Å; R104-R180 HydrophobicContact CB-CG 4.49Å; R104-Q181 PolarHBondContact O-N 3.3Å
105	Q	53.5	Low	43.3	Very low	17 Å²	17	68 Å²	68	8%	0.079	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	116	178.7	-168.4	170.8	44.9	0	0	106.9	F2 G28 Q181	F2-Q105 VanDerWaalsContact CE1-OE1 3.24Å; G28-Q105 PolarHBondContact O-N 3.39Å; Q105-Q181 WeakPolarHBondContact CA-O 3.48Å
106	S	41.6	Very low	42.8	Very low	42 Å²	42	66.9 Å²	66.9	29%	0.294	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	134.6	-179.1	49.2	0	0	0	0	109.5
107	V	46.3	Very low	41.8	Very low	39 Å²	39	69.7 Å²	69.7	24%	0.236	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	114.7	173.8	-179.3	0	0	0	0	105.5
108	E	33.5	Very low	41.2	Very low	143 Å²	143	66.3 Å²	66.3	67%	0.668	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.2	122.4	176.6	-66.9	-178.5	-167.9	0	0	107.5
109	N	35.5	Very low	39.7	Very low	63 Å²	63	69.7 Å²	69.7	34%	0.337	38%	0.381	S	S	.	.			trans	-132.5	152.8	-176.8	-65.8	-30.3	0	0	0	108.4
110	T	26.6	Very low	38.3	Very low	123 Å²	123	72.4 Å²	72.4	76%	0.755	40%	0.398	S	S	*	.			trans	-150.4	107	178.1	-62.8	0	0	0	0	113.1	S187	T110-S187 PolarHBondContact N-O 2.94Å
111	S	28.2	Very low	36.8	Very low	59 Å²	59	75.4 Å²	75.4	41%	0.413	42%	0.421	S	S	.	.			trans	-171	-165.2	161.2	-159.5	0	0	0	0	111.6
112	T	25.1	Very low	35.7	Very low	112 Å²	112	76.6 Å²	76.6	69%	0.687	43%	0.428	S	S	*	.			trans	-106.8	154.2	-167.8	48.9	0	0	0	0	115.2	T190	T112-T190 PolarHBondContact O-OG1 3.45Å
113	Q	26.4	Very low	34.3	Very low	66 Å²	66	82.2 Å²	82.2	31%	0.308	46%	0.462	S	S	.	.			trans	-119.3	155.9	-166.5	-175.3	159.2	-16.3	0	0	115.3	D115 T190	Q113-D115 PolarHBondContact NE2-OD1 3.39Å; Q113-T190 HydrophobicContact CB-CG2 3.98Å; Q113-T190 HydrophobicContact CG-CG2 3.75Å
114	T	27.1	Very low	33.2	Very low	134 Å²	134	85 Å²	85	82%	0.822	48%	0.477	S	S	*	.			trans	-133.7	143.3	158.6	-54.5	0	0	0	0	107.6
115	D	29.8	Very low	32.4	Very low	128 Å²	128	80.4 Å²	80.4	68%	0.684	46%	0.464	S	S	*	.			trans	-112.2	147	-160	-126.5	12.5	0	0	0	114.9	Q113	Q113-D115 PolarHBondContact NE2-OD1 3.39Å
116	P	31.9	Very low	32.2	Very low	74 Å²	74	83.1 Å²	83.1	48%	0.481	48%	0.476	S	S	.	.			trans	-106.1	179	-169.2	41.3	-36.9	0	0	0	115.2	M193	P116-M193 HydrophobicContact CG-CG 4.13Å; P116-M193 HydrophobicContact CG-SD 4.11Å
117	M	28.8	Very low	32.8	Very low	95 Å²	95	82 Å²	82	47%	0.468	47%	0.467	S	S	.	.			trans	-125.7	139.8	170.4	-75.1	-179.9	49.8	0	0	113.4	P40 A42 Q43	P40-M117 HydrophobicContact CB-SD 4.07Å; P40-M117 HydrophobicContact CG-SD 4.47Å; A42-M117 VanDerWaalsContact O-CE 3.29Å; A42-M117 WeakPolarHBondContact O-CE 3.47Å; Q43-M117 HydrophobicContact CG-CE 3.55Å
118	A	30.6	Very low	33.2	Very low	40 Å²	40	80.9 Å²	80.9	33%	0.331	46%	0.46	S	S	.	.			trans	-72.1	178	-174.6	0	0	0	0	0	114.6	Q43 M193	Q43-A118 PolarHBondContact NE2-O 3.01Å; A118-M193 HydrophobicContact CB-CE 4.26Å
119	Q	26.6	Very low	34.9	Very low	130 Å²	130	76.1 Å²	76.1	61%	0.607	44%	0.437	S	S	*	.			cis	-168.4	132.2	-25.8	-103.5	172.3	-2.6	0	0	107
120	V	25.7	Very low	36.6	Very low	64 Å²	64	75.6 Å²	75.6	39%	0.388	44%	0.435	S	S	.	.			trans	-150	136.6	171.4	-170.9	0	0	0	0	111	P45 T122	P45-V120 HydrophobicContact CB-CG2 3.5Å; V120-T122 PolarHBondContact O-N 3.27Å
121	P	27.6	Very low	38.7	Very low	102 Å²	102	70 Å²	70	66%	0.662	40%	0.4	S	S	*	.			trans	-66.7	125.2	172.8	-18.5	32.1	0	0	0	112.4	V196	P121-V196 HydrophobicContact CB-CG1 4.2Å; P121-V196 HydrophobicContact CB-CG2 4.49Å
122	T	31	Very low	40.6	Very low	27 Å²	27	67.4 Å²	67.4	17%	0.166	38%	0.382	C	S	.	.			trans	-130.4	129.7	179.3	-57.5	0	0	0	0	110.2	L48 V120	L48-T122 HydrophobicContact CB-CG2 4.16Å; L48-T122 HydrophobicContact CD1-CG2 4.38Å; V120-T122 PolarHBondContact O-N 3.27Å
123	V	32.1	Very low	42.7	Very low	127 Å²	127	62.2 Å²	62.2	77%	0.77	35%	0.35	S	S	*	.			trans	-84.4	109.4	166.8	176.5	0	0	0	0	107.1	P125	V123-P125 WeakPolarHBondContact O-CD 3.4Å
124	L	37.9	Very low	44.5	Very low	69 Å²	69	59.1 Å²	59.1	36%	0.361	34%	0.335	S	S	.	.			trans	-71.9	121.9	-176.9	-80.6	157.6	0	0	0	111.3	T198	L124-T198 HydrophobicContact CB-CG2 4.07Å; L124-T198 HydrophobicContact CD1-CG2 3.89Å
125	P	35.2	Very low	46.3	Very low	35 Å²	35	53.6 Å²	53.6	23%	0.227	30%	0.302	C	S	.	.			trans	-85.5	176.4	179.9	34.4	-34.9	0	0	0	112.4	P49 K50 V123 T127 P201	P49-P125 WeakPolarHBondContact O-CG 3.43Å; K50-P125 VanDerWaalsContact CA-CG 3.44Å; K50-P125 HydrophobicContact CB-CB 4.31Å; K50-P125 HydrophobicContact CB-CG 4.44Å; V123-P125 WeakPolarHBondContact O-CD 3.4Å; P125-T127 PolarHBondContact O-N 3.17Å; P125-P201 VanDerWaalsContact O-CB 3.24Å; P125-P201 WeakPolarHBondContact O-CB 3.35Å; P125-P201 WeakPolarHBondContact O-CG 3.46Å
126	K	47.6	Very low	48.1	Very low	74 Å²	74	47.8 Å²	47.8	32%	0.322	27%	0.273	S	S	.	.			trans	-56.4	101.3	-177.9	-167.7	-152.6	-178.6	-66.9	0	112.9	K50 T128 K202 T204	K50-K126 VanDerWaalsContact CE-O 3.27Å; K50-K126 WeakPolarHBondContact CE-O 3.46Å; K50-K126 WeakPolarHBondContact CG-O 3.19Å; K50-K126 PolarHBondContact NZ-O 2.76Å; K126-T128 PolarHBondContact NZ-OG1 3.09Å; K126-K202 WeakPolarHBondContact CE-O 3.38Å; K126-K202 VanDerWaalsContact CG-O 3.23Å; K126-K202 WeakPolarHBondContact CG-O 3.37Å; K126-K202 PolarHBondContact NZ-O 3.41Å; K126-T204 PolarHBondContact NZ-OG1 3.21Å
127	T	54.3	Low	49.8	Very low	18 Å²	18	45.6 Å²	45.6	11%	0.11	26%	0.258	C	S	.	.			trans	-65	144.2	166.3	-39.7	0	0	0	0	110.9	T51 F53 P125 F129 P201	T51-T127 WeakPolarHBondContact O-CA 3.39Å; F53-T127 HydrophobicContact CD2-CG2 3.71Å; F53-T127 HydrophobicContact CE2-CG2 3.87Å; P125-T127 PolarHBondContact O-N 3.17Å; T127-F129 HydrophobicContact CG2-CD2 4.1Å; T127-F129 HydrophobicContact CG2-CE1 4.49Å; T127-F129 HydrophobicContact CG2-CE2 3.52Å; T127-F129 HydrophobicContact CG2-CZ 3.75Å; T127-P201 WeakPolarHBondContact OG1-CG 3.46Å
128	T	56.4	Low	51.4	Low	16 Å²	16	41.1 Å²	41.1	10%	0.098	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	133.5	174.8	-51.8	0	0	0	0	105	F53 K126 D130	F53-T128 PolarHBondContact N-O 2.87Å; K126-T128 PolarHBondContact NZ-OG1 3.09Å; T128-D130 WeakPolarHBondContact CG2-OD1 3.45Å
129	F	68.1	Low	53.2	Low	42 Å²	42	42.9 Å²	42.9	18%	0.184	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	108.2	-178.9	-67.9	-85.1	0	0	0	107.2	F53 V56 T127 V132 T203 T204 F205 D206	F53-F129 HydrophobicContact CB-CD1 3.46Å; F53-F129 VanDerWaalsContact CB-CD1 3.46Å; F53-F129 HydrophobicContact CB-CE1 3.79Å; F53-F129 HydrophobicContact CB-CG 4.33Å; F53-F129 AromaticContact CD2-CD1 3.91Å; F53-F129 HydrophobicContact CD2-CD1 3.91Å; F53-F129 AromaticContact CD2-CE1 3.4Å; F53-F129 HydrophobicContact CD2-CE1 3.4Å; F53-F129 AromaticContact CD2-CZ 3.85Å; F53-F129 HydrophobicContact CD2-CZ 3.85Å; F53-F129 HydrophobicContact CE2-CE1 4.09Å; F53-F129 HydrophobicContact CE2-CZ 4.26Å; F53-F129 AromaticContact CG-CD1 3.95Å; F53-F129 HydrophobicContact CG-CD1 3.95Å; F53-F129 AromaticContact CG-CE1 3.72Å; F53-F129 HydrophobicContact CG-CE1 3.72Å; F53-F129 WeakPolarHBondContact O-CA 3.27Å; V56-F129 HydrophobicContact CG2-CD1 3.85Å; V56-F129 HydrophobicContact CG2-CE1 4.03Å; T127-F129 HydrophobicContact CG2-CD2 4.1Å; T127-F129 HydrophobicContact CG2-CE1 4.49Å; T127-F129 HydrophobicContact CG2-CE2 3.52Å; T127-F129 HydrophobicContact CG2-CZ 3.75Å; F129-V132 HydrophobicContact CB-CG2 3.79Å; F129-V132 HydrophobicContact CD1-CG2 4.21Å; F129-V132 HydrophobicContact CG-CG2 4.17Å; F129-T203 HydrophobicContact CD2-CG2 3.82Å; F129-T203 HydrophobicContact CE2-CG2 3.91Å; F129-T204 PolarHBondContact N-O 3.09Å; F129-F205 HydrophobicContact CB-CD1 3.62Å; F129-F205 HydrophobicContact CB-CE1 4.02Å; F129-F205 AromaticContact CD2-CD1 3.78Å; F129-F205 HydrophobicContact CD2-CD1 3.78Å; F129-F205 AromaticContact CD2-CE1 3.35Å; F129-F205 HydrophobicContact CD2-CE1 3.35Å; F129-F205 AromaticContact CD2-CZ 3.95Å; F129-F205 HydrophobicContact CD2-CZ 3.95Å; F129-F205 AromaticContact CE2-CE1 3.92Å; F129-F205 HydrophobicContact CE2-CE1 3.92Å; F129-F205 HydrophobicContact CE2-CZ 4.22Å; F129-F205 AromaticContact CG-CD1 3.97Å; F129-F205 HydrophobicContact CG-CD1 3.97Å; F129-F205 AromaticContact CG-CE1 3.82Å; F129-F205 HydrophobicContact CG-CE1 3.82Å; F129-F205 VanDerWaalsContact O-CA 3.29Å; F129-F205 WeakPolarHBondContact O-CA 3.35Å; F129-D206 PolarHBondContact O-N 2.74Å
130	D	72	Confident	54.9	Low	53 Å²	53	37.5 Å²	37.5	28%	0.283	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	-34.2	-169.3	-46	1.4	0	0	0	108.4	T52 F53 D54 T128 D206 V207	T52-D130 WeakPolarHBondContact CG2-OD1 3.34Å; F53-D130 PolarHBondContact O-N 3.44Å; F53-D130 VanDerWaalsContact O-N 3.1Å; D54-D130 CarbonylContact O-C 3.15Å; D54-D130 WeakPolarHBondContact O-CB 3.32Å; T128-D130 WeakPolarHBondContact CG2-OD1 3.45Å; D130-D206 WeakPolarHBondContact O-CB 3.28Å; D130-V207 PolarHBondContact O-N 2.86Å
131	V	69.3	Low	56.3	Low	5 Å²	5	36.8 Å²	36.8	3%	0.03	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	135.9	164.9	-167.3	0	0	0	0	113.1	D54 V55 V56 V207	D54-V131 PolarHBondContact O-N 3.45Å; V55-V131 CarbonylContact C-O 3.59Å; V55-V131 WeakPolarHBondContact CA-O 3.49Å; V55-V131 HydrophobicContact CB-CB 4.39Å; V55-V131 HydrophobicContact CG1-CB 4.21Å; V55-V131 HydrophobicContact CG2-CB 3.83Å; V55-V131 HydrophobicContact CG2-CG2 3.88Å; V56-V131 PolarHBondContact N-O 3.22Å; V131-V207 CarbonylContact C-O 3.57Å; V131-V207 WeakPolarHBondContact CA-O 3.36Å; V131-V207 HydrophobicContact CG1-CB 4.21Å; V131-V207 HydrophobicContact CG1-CG1 4.34Å; V131-V207 HydrophobicContact CG2-CB 4.4Å
132	V	69.9	Low	57.4	Low	5 Å²	5	34.2 Å²	34.2	3%	0.03	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	122.4	166.9	-175.5	0	0	0	0	110.2	V56 I71 F129 F205 V207 V208 T209	V56-V132 HydrophobicContact CB-CG2 4.49Å; V56-V132 CarbonylContact O-C 3.05Å; V56-V132 WeakPolarHBondContact O-CA 3.5Å; I71-V132 HydrophobicContact CD1-CG1 4.07Å; F129-V132 HydrophobicContact CB-CG2 3.79Å; F129-V132 HydrophobicContact CD1-CG2 4.21Å; F129-V132 HydrophobicContact CG-CG2 4.17Å; V132-F205 HydrophobicContact CG2-CD1 3.84Å; V132-F205 HydrophobicContact CG2-CE1 4.07Å; V132-V207 PolarHBondContact N-O 3.09Å; V132-V208 CarbonylContact O-C 3.07Å; V132-V208 WeakPolarHBondContact O-CA 3.43Å; V132-T209 PolarHBondContact O-N 2.7Å
133	T	68.3	Low	58.2	Low	3 Å²	3	33.1 Å²	33.1	2%	0.018	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	129.6	-179.4	-64	0	0	0	0	112.2	V56 T57 Q58 T209	V56-T133 PolarHBondContact O-N 3.31Å; T57-T133 CarbonylContact C-O 3.44Å; T57-T133 VanDerWaalsContact CA-O 3.3Å; T57-T133 WeakPolarHBondContact CA-O 3.44Å; T57-T133 HydrophobicContact CG2-CG2 4.37Å; Q58-T133 PolarHBondContact N-O 3.32Å; T133-T209 CarbonylContact C-O 3.46Å; T133-T209 WeakPolarHBondContact CA-O 3.33Å
134	Q	64.8	Low	59.4	Low	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	129.8	170.7	-172.6	-178.5	61	0	0	109.7	Q58 Q69 T146 I147 T209 Q210 S211	Q58-Q134 CarbonylContact O-C 3.37Å; Q58-Q134 WeakPolarHBondContact O-CA 3.47Å; Q69-Q134 PolarHBondContact O-NE2 3.47Å; Q134-T146 PolarHBondContact NE2-O 2.92Å; Q134-T146 PolarHBondContact OE1-O 2.65Å; Q134-I147 HydrophobicContact CB-CD1 4.46Å; Q134-I147 HydrophobicContact CB-CG1 4.49Å; Q134-T209 PolarHBondContact N-O 3.48Å; Q134-Q210 VanDerWaalsContact OE1-NE2 3.08Å; Q134-S211 PolarHBondContact O-N 3.36Å
135	S	65.2	Low	59.9	Low	18 Å²	18	24 Å²	24	13%	0.126	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	124.5	178.4	-173	0	0	0	0	111.4	Q58 S59 G60 S211	Q58-S135 PolarHBondContact O-N 2.98Å; S59-S135 WeakPolarHBondContact CA-O 3.41Å; G60-S135 PolarHBondContact N-O 3.23Å; G60-S135 VanDerWaalsContact N-O 3.13Å; S135-S211 VanDerWaalsContact CA-O 3.26Å; S135-S211 WeakPolarHBondContact CA-O 3.41Å
136	G	66	Low	60.6	Low	6 Å²	6	22.4 Å²	22.4	6%	0.062	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164	154.6	-179.2	0	0	0	0	0	117.9	G60 S211 G212 T213	G60-G136 WeakPolarHBondContact O-CA 3.36Å; G136-S211 PolarHBondContact N-O 2.98Å; G136-S211 VanDerWaalsContact N-O 3.14Å; G136-G212 CarbonylContact O-C 2.64Å; G136-G212 WeakPolarHBondContact O-CA 3.49Å; G136-T213 PolarHBondContact O-N 3.32Å
137	T	68.5	Low	60.8	Low	28 Å²	28	19.3 Å²	19.3	17%	0.172	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	124.1	176.1	-62.2	0	0	0	0	109.5	G60 T61 V62 T213	G60-T137 PolarHBondContact O-N 3.2Å; T61-T137 CarbonylContact C-O 3.14Å; T61-T137 WeakPolarHBondContact CA-O 3.49Å; T61-T137 HydrophobicContact CG2-CG2 4.27Å; V62-T137 PolarHBondContact N-O 3.08Å; T137-T213 CarbonylContact C-O 3.57Å; T137-T213 VanDerWaalsContact CA-O 3.26Å; T137-T213 WeakPolarHBondContact CA-O 3.4Å
138	V	62.8	Low	60.3	Low	2 Å²	2	20 Å²	20	1%	0.012	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	121.5	-173.2	-177.9	0	0	0	0	109.7	S67 T213 V214 H215	S67-V138 WeakPolarHBondContact OG-CG1 3.45Å; V138-T213 PolarHBondContact N-O 3.37Å; V138-V214 HydrophobicContact CB-CG1 4.48Å; V138-V214 HydrophobicContact CB-CG2 4.49Å; V138-H215 PolarHBondContact O-N 3.33Å
139	H	68.1	Low	59.5	Low	77 Å²	77	19.8 Å²	19.8	36%	0.356	11%	0.114	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	103.8	-178	-171.7	-84.8	0	0	0	111.8	V62 H63 C64 H215	V62-H139 PolarHBondContact O-N 3.22Å; H63-H139 WeakPolarHBondContact CA-O 3.48Å; H63-H139 AromaticContact CD2-CG 3.75Å; H63-H139 AromaticContact CD2-ND1 3.22Å; H63-H139 PolarHBondContact CD2-ND1 3.1Å; H63-H139 AromaticContact NE2-CE1 3.71Å; H63-H139 AromaticContact NE2-ND1 3.04Å; H63-H139 PolarHBondContact NE2-ND1 3.42Å; C64-H139 PolarHBondContact N-O 2.94Å; H139-H215 WeakPolarHBondContact CA-O 3.4Å; H139-H215 AromaticContact CD2-CG 3.76Å; H139-H215 AromaticContact CD2-ND1 3.2Å; H139-H215 PolarHBondContact CD2-ND1 3.3Å; H139-H215 AromaticContact NE2-CE1 3.73Å; H139-H215 AromaticContact NE2-ND1 3.17Å; H139-H215 PolarHBondContact NE2-ND1 3.01Å; H139-H215 VanDerWaalsContact NE2-ND1 3.17Å
140	C	62.8	Low	58	Low	17 Å²	17	21.7 Å²	21.7	12%	0.115	12%	0.123	C	C	.	.	S	Bend	trans	-158.9	-172.5	-167.4	63.2	0	0	0	0	112.7	C64 S67 Q142 S143 H215 C216	C64-C140 WeakPolarHBondContact O-CA 3.4Å; C64-C140 WeakPolarHBondContact O-CB 3.29Å; S67-C140 PolarHBondContact OG-SG 3.23Å; S67-C140 VanDerWaalsContact OG-SG 3.33Å; C140-Q142 PolarHBondContact SG-O 3.44Å; C140-S143 WeakPolarHBondContact SG-CB 3.35Å; C140-H215 PolarHBondContact N-O 2.94Å; C140-C216 WeakPolarHBondContact O-CA 3.42Å; C140-C216 VanDerWaalsContact O-CB 3.28Å; C140-C216 WeakPolarHBondContact O-CB 3.32Å
141	A	54.9	Low	56.7	Low	48 Å²	48	21.4 Å²	21.4	40%	0.397	12%	0.118	S	C	.	.	S	Bend	trans	-83.2	-43.9	166.1	0	0	0	0	0	111.6	A65 A217 Q218	A65-A141 WeakPolarHBondContact O-CA 3.49Å; A65-A141 VanDerWaalsContact O-CB 3.27Å; A65-A141 WeakPolarHBondContact O-CB 3.49Å; A65-A141 PolarHBondContact O-N 3.29Å; A141-A217 WeakPolarHBondContact O-CA 3.33Å; A141-A217 WeakPolarHBondContact O-CB 3.27Å; A141-A217 PolarHBondContact O-N 3.18Å; A141-Q218 PolarHBondContact O-N 3.16Å
142	Q	50.2	Low	55.1	Low	48 Å²	48	22.1 Å²	22.1	22%	0.224	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	131.2	-178	-63.2	173.5	-54.9	0	0	111.1	A65 Q66 S67 C140 Q218 T264	A65-Q142 PolarHBondContact O-N 3.03Å; Q66-Q142 WeakPolarHBondContact CA-O 3.13Å; Q66-Q142 HydrophobicContact CG-CB 4.38Å; S67-Q142 PolarHBondContact N-O 2.71Å; S67-Q142 VanDerWaalsContact N-O 3.11Å; C140-Q142 PolarHBondContact SG-O 3.44Å; Q142-Q218 WeakPolarHBondContact CA-O 3.3Å; Q142-Q218 HydrophobicContact CG-CB 4.47Å; Q142-T264 HydrophobicContact CB-CG2 4.19Å
143	S	48	Very low	53.9	Low	4 Å²	4	23.2 Å²	23.2	3%	0.028	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	141.3	-168.9	45.6	0	0	0	0	113.7	S67 C140 V214 C216 Q218 S219 V220	S67-S143 WeakPolarHBondContact O-CA 3.36Å; C140-S143 WeakPolarHBondContact SG-CB 3.35Å; S143-V214 WeakPolarHBondContact OG-CG1 3.12Å; S143-C216 PolarHBondContact OG-SG 3.06Å; S143-Q218 PolarHBondContact N-O 3.04Å; S143-Q218 VanDerWaalsContact N-O 3.11Å; S143-Q218 PolarHBondContact OG-O 3.07Å; S143-S219 WeakPolarHBondContact OG-CA 3.36Å; S143-S219 WeakPolarHBondContact OG-CB 3.49Å; S143-V220 PolarHBondContact O-N 3.11Å; S143-V220 VanDerWaalsContact O-N 3.14Å
144	V	57.1	Low	52.9	Low	4 Å²	4	23.6 Å²	23.6	2%	0.024	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	136.8	169.6	163.1	0	0	0	0	108.8	S67 V68 Q69 T146 Q341	S67-V144 PolarHBondContact O-N 2.91Å; V68-V144 WeakPolarHBondContact CA-O 3.4Å; V68-V144 HydrophobicContact CG1-CG1 4.24Å; V68-V144 HydrophobicContact CG2-CB 3.99Å; V68-V144 HydrophobicContact CG2-CG1 4.24Å; Q69-V144 PolarHBondContact N-O 3.16Å; V144-T146 HydrophobicContact CG1-CG2 4.24Å; V144-Q341 HydrophobicContact CG1-CG 4.42Å; V144-Q341 HydrophobicContact CG2-CB 3.92Å; V144-Q341 HydrophobicContact CG2-CG 3.98Å
145	Q	49.1	Very low	52.2	Low	1 Å²	1	25.8 Å²	25.8	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	121.9	171.6	-172.6	179.1	57.2	0	0	108.7	Q69 Q210 V220 Q221 T222	Q69-Q145 HydrophobicContact CB-CG 4.45Å; Q145-Q210 PolarHBondContact O-NE2 3.3Å; Q145-V220 PolarHBondContact N-O 2.71Å; Q145-Q221 HydrophobicContact CB-CG 4.48Å; Q145-T222 PolarHBondContact O-N 3.1Å
146	T	50.4	Low	51.7	Low	1 Å²	1	25 Å²	25	1%	0.006	14%	0.135	C	C	.	.			trans	-146.7	155.1	-164.8	-172.1	0	0	0	0	112.1	V68 Q69 T70 Q134 V144 E149 T222	V68-T146 HydrophobicContact CG1-CG2 4.39Å; Q69-T146 PolarHBondContact O-N 3.11Å; T70-T146 HydrophobicContact CG2-CG2 3.73Å; T70-T146 VanDerWaalsContact OG1-CG2 3.25Å; T70-T146 WeakPolarHBondContact OG1-CG2 3.48Å; Q134-T146 PolarHBondContact NE2-O 2.92Å; Q134-T146 PolarHBondContact OE1-O 2.65Å; V144-T146 HydrophobicContact CG1-CG2 4.24Å; T146-E149 VanDerWaalsContact CG2-OE1 3.22Å; T146-E149 WeakPolarHBondContact CG2-OE1 3.37Å; T146-E149 PolarHBondContact OG1-OE1 2.73Å; T146-T222 WeakPolarHBondContact OG1-CG2 3.41Å
147	I	51.1	Low	51.2	Low	9 Å²	9	27 Å²	27	5%	0.046	15%	0.146	C	C	.	.			trans	-114.5	142.9	177.9	-76.5	-179.6	0	0	0	107	Q134 V208 Q210 I223	Q134-I147 HydrophobicContact CB-CD1 4.46Å; Q134-I147 HydrophobicContact CB-CG1 4.49Å; I147-V208 HydrophobicContact CD1-CG1 3.85Å; I147-V208 HydrophobicContact CG2-CG1 4.4Å; I147-Q210 HydrophobicContact CD1-CB 3.88Å; I147-Q210 HydrophobicContact CD1-CG 4.27Å; I147-I223 HydrophobicContact CB-CG2 4.49Å; I147-I223 HydrophobicContact CD1-CG1 4.37Å; I147-I223 HydrophobicContact CD1-CG2 4.49Å; I147-I223 HydrophobicContact CG2-CG2 4.47Å
148	P	43.8	Very low	50.8	Low	32 Å²	32	27.1 Å²	27.1	21%	0.208	15%	0.148	C	C	.	.			trans	-14.5	129.5	-171.9	-11.7	-14.3	0	0	0	120.3	E73 P224	E73-P148 WeakPolarHBondContact OE1-CB 3.49Å; E73-P148 WeakPolarHBondContact OE2-CA 3.35Å; E73-P148 WeakPolarHBondContact OE2-CB 3.44Å; P148-P224 WeakPolarHBondContact O-CB 3.41Å
149	E	39.6	Very low	50.8	Low	12 Å²	12	27 Å²	27	6%	0.056	15%	0.148	C	C	.	.			trans	-124.8	137.3	-169.5	-63.9	178.6	-162.5	0	0	113.5	E73 T146 R227	E73-E149 PolarHBondContact OE2-N 3.35Å; T146-E149 VanDerWaalsContact CG2-OE1 3.22Å; T146-E149 WeakPolarHBondContact CG2-OE1 3.37Å; T146-E149 PolarHBondContact OG1-OE1 2.73Å; E149-R227 IonicContact OE2-CZ 3.68Å; E149-R227 IonicContact OE2-NE 2.68Å; E149-R227 IonicContact OE2-NH2 3.96Å; E149-R227 PolarHBondContact OE2-NH2 3.19Å
150	E	36.6	Very low	50.8	Low	83 Å²	83	23.9 Å²	23.9	39%	0.388	14%	0.136	S	C	.	.			trans	-87.5	145.6	177.2	-159.6	160.9	-171.6	0	0	113.3
151	R	43.7	Very low	51	Low	46 Å²	46	23.4 Å²	23.4	17%	0.174	13%	0.132	C	C	.	.			trans	-108.8	146.8	-159.2	-78.4	-179.7	165.5	-82.9	-2.1	114	E74 V153 D267 P268	E74-R151 WeakPolarHBondContact O-CD 3.43Å; E74-R151 PolarHBondContact O-NE 3.06Å; R151-V153 WeakPolarHBondContact O-CG2 3.29Å; R151-D267 VanDerWaalsContact CZ-CA 3.41Å; R151-D267 IonicContact CZ-OD1 3.96Å; R151-D267 VanDerWaalsContact NH1-CA 3.3Å; R151-D267 IonicContact NH1-OD1 2.77Å; R151-D267 IonicContact NH2-OD1 2.72Å; R151-D267 PolarHBondContact NH2-OD1 3.16Å; R151-P268 VanDerWaalsContact CB-O 3.29Å; R151-P268 WeakPolarHBondContact CB-O 3.06Å; R151-P268 VanDerWaalsContact CD-CD 3.43Å; R151-P268 WeakPolarHBondContact CD-O 3.43Å; R151-P268 WeakPolarHBondContact CG-O 3.09Å
152	P	36.7	Very low	51.5	Low	20 Å²	20	24.6 Å²	24.6	13%	0.13	13%	0.132	C	C	.	.			trans	-51.7	142.9	-167.2	-24.3	29.5	0	0	0	117	V77 F154 P268 P344 M345	V77-P152 VanDerWaalsContact CG2-O 3.25Å; V77-P152 WeakPolarHBondContact CG2-O 3.45Å; V77-P152 PolarHBondContact N-O 3.05Å; P152-F154 HydrophobicContact CB-CD2 4.43Å; P152-F154 HydrophobicContact CB-CE2 4.11Å; P152-P268 VanDerWaalsContact CD-O 3.27Å; P152-P268 WeakPolarHBondContact CD-O 3.34Å; P152-P344 WeakPolarHBondContact CG-O 3.3Å; P152-M345 HydrophobicContact CB-CB 4.38Å; P152-M345 HydrophobicContact CB-CG 4.43Å; P152-M345 HydrophobicContact CG-CG 4.42Å
153	V	44	Very low	52.1	Low	28 Å²	28	22.9 Å²	22.9	17%	0.17	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	61.4	-166.2	158.2	0	0	0	0	112.6	V77 R151 Q271 A346 Q347 V348	V77-V153 HydrophobicContact CG2-CB 4.48Å; V77-V153 HydrophobicContact CG2-CG2 3.76Å; R151-V153 WeakPolarHBondContact O-CG2 3.29Å; V153-Q271 HydrophobicContact CB-CG 4.47Å; V153-Q271 HydrophobicContact CG1-CG 4.01Å; V153-Q271 HydrophobicContact CG2-CG 4.16Å; V153-Q271 PolarHBondContact O-NE2 2.9Å; V153-Q271 VanDerWaalsContact O-NE2 3.09Å; V153-A346 CarbonylContact C-O 3.24Å; V153-A346 WeakPolarHBondContact CA-O 3.2Å; V153-A346 WeakPolarHBondContact CB-O 3.48Å; V153-A346 PolarHBondContact N-O 3.47Å; V153-A346 CarbonylContact O-C 3.36Å; V153-Q347 CarbonylContact O-C 3.51Å; V153-Q347 PolarHBondContact O-N 3.39Å; V153-Q347 VanDerWaalsContact O-O 3.07Å; V153-V348 HydrophobicContact CG1-CB 3.59Å; V153-V348 HydrophobicContact CG1-CG2 3.5Å
154	F	46.6	Very low	52.5	Low	12 Å²	12	26.3 Å²	26.3	5%	0.053	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	137.7	-172.8	-67.7	-95.6	0	0	0	113.5	V77 F78 H79 P152 V183 F230 V259 Q271 A346	V77-F154 VanDerWaalsContact O-CB 3.31Å; V77-F154 WeakPolarHBondContact O-CB 3.12Å; V77-F154 WeakPolarHBondContact O-CD2 3.41Å; V77-F154 PolarHBondContact O-N 3.46Å; F78-F154 HydrophobicContact CD1-CB 4.22Å; F78-F154 AromaticContact CD1-CD2 3.82Å; F78-F154 HydrophobicContact CD1-CD2 3.82Å; F78-F154 HydrophobicContact CD1-CG 4.19Å; F78-F154 AromaticContact CE1-CD2 3.66Å; F78-F154 HydrophobicContact CE1-CD2 3.66Å; F78-F154 AromaticContact CE1-CE2 3.91Å; F78-F154 HydrophobicContact CE1-CE2 3.91Å; F78-F154 HydrophobicContact CE1-CG 4.39Å; H79-F154 PolarHBondContact N-O 3.27Å; P152-F154 HydrophobicContact CB-CD2 4.43Å; P152-F154 HydrophobicContact CB-CE2 4.11Å; F154-V183 HydrophobicContact CE2-CG2 4.47Å; F154-V183 HydrophobicContact CZ-CG2 4.39Å; F154-F230 HydrophobicContact CD1-CD2 4.12Å; F154-F230 AromaticContact CE1-CD2 3.63Å; F154-F230 HydrophobicContact CE1-CD2 3.63Å; F154-F230 AromaticContact CE1-CE2 3.89Å; F154-F230 HydrophobicContact CE1-CE2 3.89Å; F154-F230 HydrophobicContact CZ-CD2 4.33Å; F154-F230 HydrophobicContact CZ-CE2 4.31Å; F154-V259 HydrophobicContact CZ-CG2 4.27Å; F154-Q271 PolarHBondContact O-NE2 3.34Å; F154-Q271 VanDerWaalsContact O-NE2 3.12Å; F154-A346 VanDerWaalsContact CA-CB 3.44Å; F154-A346 HydrophobicContact CB-CB 3.91Å; F154-A346 HydrophobicContact CD1-CB 3.45Å; F154-A346 VanDerWaalsContact CD1-CB 3.45Å; F154-A346 HydrophobicContact CD2-CB 3.58Å; F154-A346 HydrophobicContact CE1-CB 3.79Å; F154-A346 HydrophobicContact CE2-CB 3.91Å; F154-A346 HydrophobicContact CG-CB 3.34Å; F154-A346 HydrophobicContact CZ-CB 4Å
155	H	51.6	Low	52.5	Low	45 Å²	45	26.5 Å²	26.5	21%	0.208	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	122.2	175.1	-157	89	0	0	0	112.2	T232 Q347 V348	H155-T232 PolarHBondContact O-N 2.94Å; H155-Q347 WeakPolarHBondContact CB-O 3.42Å; H155-V348 HydrophobicContact CB-CG2 4.02Å
156	T	53.5	Low	52.5	Low	1 Å²	1	36 Å²	36	1%	0.006	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	123.8	175.1	-58.7	0	0	0	0	110.4	H79 T80 V81 V159 T232 M255	H79-T156 PolarHBondContact O-N 3.28Å; T80-T156 WeakPolarHBondContact CA-O 3.31Å; V81-T156 PolarHBondContact N-O 2.74Å; V81-T156 VanDerWaalsContact N-O 3.1Å; T156-V159 HydrophobicContact CG2-CG2 4.17Å; T156-T232 WeakPolarHBondContact CA-O 3.43Å; T156-M255 HydrophobicContact CG2-CE 3.79Å; T156-M255 HydrophobicContact CG2-SD 3.97Å
157	V	56.8	Low	52.2	Low	49 Å²	49	37.4 Å²	37.4	30%	0.297	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	-51.4	-174.3	-172.6	0	0	0	0	111.7	V81 N82 T232 V233	V81-V157 WeakPolarHBondContact CB-O 3.48Å; N82-V157 PolarHBondContact N-O 2.85Å; N82-V157 VanDerWaalsContact N-O 3.09Å; V157-T232 PolarHBondContact N-O 3.24Å; V157-T232 VanDerWaalsContact N-O 3.1Å; V157-V233 HydrophobicContact CB-CG1 4.17Å; V157-V233 WeakPolarHBondContact CB-O 3.35Å; V157-V233 HydrophobicContact CG2-CG1 4.21Å
158	S	58.5	Low	51.7	Low	30 Å²	30	40.4 Å²	40.4	21%	0.21	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	142.6	175.1	79.7	0	0	0	0	115.9	N82 V233 N234 V235	N82-S158 WeakPolarHBondContact O-CA 3.44Å; S158-V233 PolarHBondContact N-O 3.45Å; S158-N234 PolarHBondContact OG-OD1 3.07Å; S158-V235 PolarHBondContact O-N 3.07Å; S158-V235 VanDerWaalsContact O-N 3.08Å
159	V	64.4	Low	51.9	Low	1 Å²	1	40.4 Å²	40.4	1%	0.006	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	102.4	160.3	-176.6	0	0	0	0	108	N82 G84 T156 V235 M255	N82-V159 PolarHBondContact O-N 3.15Å; N82-V159 VanDerWaalsContact O-N 3.13Å; G84-V159 PolarHBondContact N-O 3.29Å; T156-V159 HydrophobicContact CG2-CG2 4.17Å; V159-V235 WeakPolarHBondContact CA-O 3.31Å; V159-M255 HydrophobicContact CG2-CB 4.02Å; V159-M255 HydrophobicContact CG2-CE 4.39Å; V159-M255 HydrophobicContact CG2-SD 4.22Å
160	G	67.6	Low	52.5	Low	10 Å²	10	40.4 Å²	40.4	10%	0.103	22%	0.218	C	C	.	.			trans	-124.4	174.3	-164.1	0	0	0	0	0	115.4	V235 A253	G160-V235 PolarHBondContact N-O 3.15Å; G160-V235 VanDerWaalsContact N-O 3.08Å; G160-A253 WeakPolarHBondContact O-CB 3.49Å
161	L	67.5	Low	53.1	Low	8 Å²	8	39.4 Å²	39.4	4%	0.042	22%	0.217	C	C	.	.			trans	-152.3	102.6	169.2	-78.8	-173.9	0	0	0	106.7	V85 D86 L175 V237 V251 A253	V85-L161 HydrophobicContact CB-CB 4.48Å; V85-L161 HydrophobicContact CG1-CB 4.11Å; V85-L161 HydrophobicContact CG2-CB 4.22Å; V85-L161 HydrophobicContact CG2-CD1 4.3Å; D86-L161 PolarHBondContact N-O 2.84Å; L161-L175 HydrophobicContact CD1-CB 4.48Å; L161-V237 HydrophobicContact CD2-CB 3.67Å; L161-V237 HydrophobicContact CD2-CG2 3.97Å; L161-V251 HydrophobicContact CD1-CG1 4.36Å; L161-V251 HydrophobicContact CD2-CG1 3.86Å; L161-A253 HydrophobicContact CD2-CB 3.77Å; L161-A253 HydrophobicContact CG-CB 4.12Å
162	D	63.9	Low	53.6	Low	73 Å²	73	37.6 Å²	37.6	39%	0.39	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	121.7	-166.8	-72.9	22.2	0	0	0	110	V237 L239	D162-V237 PolarHBondContact N-O 2.95Å; D162-L239 PolarHBondContact O-N 2.95Å
163	H	63.8	Low	54.5	Low	12 Å²	12	42.4 Å²	42.4	6%	0.056	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	101.4	-173.5	176.6	-83.1	0	0	0	111.9	D86 L87 E165 L170 L239	D86-H163 PolarHBondContact O-N 3.21Å; L87-H163 HydrophobicContact CD2-CB 4.15Å; H163-E165 IonicContact CE1-OE2 2.84Å; H163-L170 WeakPolarHBondContact CE1-CD1 3.25Å; H163-L170 WeakPolarHBondContact NE2-CD1 3.44Å; H163-L239 HydrophobicContact CB-CB 4.3Å
164	T	56.2	Low	55.5	Low	75 Å²	75	43.4 Å²	43.4	46%	0.46	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	102.2	-177.1	-63.1	0	0	0	0	111.2	L239	T164-L239 PolarHBondContact N-O 3.28Å
165	E	56.5	Low	56.6	Low	9 Å²	9	43.5 Å²	43.5	4%	0.042	24%	0.235	C	C	.	.			trans	-110.9	147.6	-179.8	-134.2	-160	136.5	0	0	114.2	H163 S167	H163-E165 IonicContact CE1-OE2 2.84Å; E165-S167 WeakPolarHBondContact OE1-CA 3.35Å; E165-S167 WeakPolarHBondContact OE1-CB 3.33Å; E165-S167 VanDerWaalsContact OE1-O 3.09Å; E165-S167 PolarHBondContact OE1-OG 3Å
166	K	48.9	Very low	57.3	Low	200 Å²	200	42.9 Å²	42.9	87%	0.87	23%	0.232	S	C	*	.	S	Bend	trans	-117.2	21	171.5	-69.1	-176.4	177.9	173.7	0	112.9
167	S	44.4	Very low	58	Low	30 Å²	30	42.8 Å²	42.8	21%	0.21	23%	0.231	C	C	.	.	S	Bend	trans	-147.8	175.3	-174.4	31.2	0	0	0	0	109.6	E165 L243	E165-S167 WeakPolarHBondContact OE1-CA 3.35Å; E165-S167 WeakPolarHBondContact OE1-CB 3.33Å; E165-S167 VanDerWaalsContact OE1-O 3.09Å; E165-S167 PolarHBondContact OE1-OG 3Å; S167-L243 PolarHBondContact OG-O 3.03Å; S167-L243 VanDerWaalsContact OG-O 3.08Å
168	P	40.1	Very low	58.7	Low	73 Å²	73	40.9 Å²	40.9	47%	0.474	22%	0.22	S	C	.	.	S	Bend	trans	-124.6	96.1	-179.2	35.2	-18.2	0	0	0	112.8	L91	L91-P168 HydrophobicContact CD2-CB 4.27Å
169	S	48.7	Very low	59.4	Low	31 Å²	31	39.5 Å²	39.5	22%	0.217	21%	0.21	C	C	.	.			trans	177.8	83.2	149.5	34.7	0	0	0	0	114.7	S245 V246	S169-S245 WeakPolarHBondContact OG-CA 3.32Å; S169-S245 PolarHBondContact OG-N 2.92Å; S169-V246 PolarHBondContact O-N 3.09Å
170	L	51.9	Low	59.4	Low	13 Å²	13	44.4 Å²	44.4	7%	0.068	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-85.4	125.8	153.6	-92.2	-179.5	0	0	0	110.2	L87 Y96 H163 Y248	L87-L170 HydrophobicContact CD2-CD1 4.43Å; Y96-L170 HydrophobicContact CE1-CB 4.02Å; Y96-L170 HydrophobicContact CE1-CD1 4.24Å; Y96-L170 WeakPolarHBondContact OH-CD1 3.31Å; H163-L170 WeakPolarHBondContact CE1-CD1 3.25Å; H163-L170 WeakPolarHBondContact NE2-CD1 3.44Å; L170-Y248 HydrophobicContact CD2-CD2 3.75Å; L170-Y248 HydrophobicContact CD2-CE2 3.95Å
171	V	49.1	Very low	59.1	Low	61 Å²	61	44.3 Å²	44.3	37%	0.37	23%	0.225	S	C	.	.			trans	-132	83.4	174.5	-175.7	0	0	0	0	108.7	V246 L247	V171-V246 PolarHBondContact N-O 3Å; V171-L247 HydrophobicContact CB-CD1 4.11Å; V171-L247 HydrophobicContact CG1-CD1 3.83Å; V171-L247 WeakPolarHBondContact O-CA 3.45Å; V171-L247 WeakPolarHBondContact O-CD1 3.48Å
172	G	55	Low	58.3	Low	8 Å²	8	45.7 Å²	45.7	8%	0.082	24%	0.236	C	C	.	.			trans	-121.2	142.4	-172.1	0	0	0	0	0	113.7	Y248	G172-Y248 WeakPolarHBondContact CA-O 3.23Å
173	K	54.5	Low	57.8	Low	122 Å²	122	43.4 Å²	43.4	53%	0.53	22%	0.224	S	C	.	.	S	Bend	trans	-70.4	-37.1	178.6	-64.3	-176.3	177.2	178.3	0	112.7	N98 Y248	N98-K173 PolarHBondContact N-O 3.28Å; K173-Y248 PolarHBondContact N-O 2.88Å
174	K	66.3	Low	56.7	Low	49 Å²	49	48.1 Å²	48.1	21%	0.213	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	126.7	-179.9	-156.3	174	-164.3	-170.3	0	114.7	N98 Q176 V251	N98-K174 HydrophobicContact CB-CG 4.19Å; N98-K174 WeakPolarHBondContact O-CA 3.36Å; K174-Q176 HydrophobicContact CD-CB 4.37Å; K174-Q176 VanDerWaalsContact CE-OE1 3.28Å; K174-Q176 HydrophobicContact CG-CB 4.35Å; K174-V251 PolarHBondContact O-N 2.96Å
175	L	68.6	Low	56	Low	14 Å²	14	47.1 Å²	47.1	7%	0.073	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	126.9	157.4	-58.8	-178.1	0	0	0	108.2	V85 L87 Y96 N98 Q100 L161 V251	V85-L175 HydrophobicContact CG1-CD1 4.4Å; L87-L175 HydrophobicContact CD2-CD1 4.49Å; Y96-L175 HydrophobicContact CD1-CD1 4.33Å; Y96-L175 HydrophobicContact CE1-CD1 3.78Å; Y96-L175 HydrophobicContact CE1-CG 4.33Å; N98-L175 PolarHBondContact O-N 3.18Å; N98-L175 VanDerWaalsContact O-N 3.17Å; Q100-L175 PolarHBondContact N-O 3.25Å; L161-L175 HydrophobicContact CD1-CB 4.48Å; L175-V251 HydrophobicContact CD2-CB 3.78Å; L175-V251 HydrophobicContact CD2-CG2 4.02Å
176	Q	67.6	Low	54.8	Low	31 Å²	31	52.2 Å²	52.2	15%	0.145	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	111.4	-177.4	-176.6	174	-2	0	0	113.5	Q100 K174 T178 V251 Q252 A253	Q100-Q176 HydrophobicContact CB-CG 4.43Å; Q100-Q176 HydrophobicContact CG-CG 4.47Å; Q100-Q176 WeakPolarHBondContact O-CA 3.15Å; K174-Q176 HydrophobicContact CD-CB 4.37Å; K174-Q176 VanDerWaalsContact CE-OE1 3.28Å; K174-Q176 HydrophobicContact CG-CB 4.35Å; Q176-T178 VanDerWaalsContact CG-OG1 3.3Å; Q176-T178 WeakPolarHBondContact CG-OG1 3.39Å; Q176-T178 PolarHBondContact NE2-OG1 3.46Å; Q176-V251 PolarHBondContact N-O 2.69Å; Q176-Q252 WeakPolarHBondContact O-CA 3.39Å; Q176-A253 PolarHBondContact O-N 2.99Å
177	A	67.9	Low	53.9	Low	0 Å²	0	44 Å²	44	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	134.6	158.9	0	0	0	0	0	108.7	G84 V85 Q100 T102	G84-A177 WeakPolarHBondContact O-CB 3.45Å; V85-A177 HydrophobicContact CG2-CB 4.03Å; Q100-A177 PolarHBondContact O-N 3.16Å; Q100-A177 VanDerWaalsContact O-N 3.09Å; Q100-A177 VanDerWaalsContact O-O 3.12Å; T102-A177 PolarHBondContact N-O 3.36Å; T102-A177 VanDerWaalsContact N-O 3.16Å
178	T	70.7	Confident	53	Low	8 Å²	8	44.8 Å²	44.8	5%	0.049	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	121.7	179.5	-69.2	0	0	0	0	112.6	T102 Q176 R180 A253 T254 M255	T102-T178 WeakPolarHBondContact O-CA 3.43Å; Q176-T178 VanDerWaalsContact CG-OG1 3.3Å; Q176-T178 WeakPolarHBondContact CG-OG1 3.39Å; Q176-T178 PolarHBondContact NE2-OG1 3.46Å; T178-R180 HydrophobicContact CG2-CG 4.23Å; T178-A253 PolarHBondContact N-O 2.99Å; T178-A253 VanDerWaalsContact N-O 3.12Å; T178-T254 VanDerWaalsContact O-CA 3.3Å; T178-T254 WeakPolarHBondContact O-CA 3.42Å; T178-M255 PolarHBondContact O-N 3.1Å
179	M	72.9	Confident	52.3	Low	1 Å²	1	42.7 Å²	42.7	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	128.9	170.7	175.8	167.2	171.4	0	0	108.6	T80 V83 T102 R104 Q181 M255	T80-M179 HydrophobicContact CG2-CE 3.93Å; T80-M179 HydrophobicContact CG2-SD 3.81Å; V83-M179 HydrophobicContact CG1-CB 4.41Å; V83-M179 HydrophobicContact CG2-CB 4.29Å; V83-M179 HydrophobicContact CG2-SD 3.64Å; T102-M179 PolarHBondContact O-N 3.43Å; R104-M179 PolarHBondContact N-O 3.48Å; R104-M179 VanDerWaalsContact N-O 3.11Å; M179-Q181 VanDerWaalsContact CE-CD 3.44Å; M179-Q181 HydrophobicContact CE-CG 4.1Å; M179-M255 HydrophobicContact CE-CE 3.89Å; M179-M255 HydrophobicContact CG-CE 3.92Å; M179-M255 HydrophobicContact SD-CE 3.98Å
180	R	64.3	Low	51.4	Low	105 Å²	105	44.7 Å²	44.7	40%	0.396	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	124	166.7	-66.2	-169.2	177.8	-158.7	-1.5	109.3	R104 T178 M255 R256 Q257	R104-R180 HydrophobicContact CB-CG 4.49Å; T178-R180 HydrophobicContact CG2-CG 4.23Å; R180-M255 PolarHBondContact N-O 3.01Å; R180-M255 VanDerWaalsContact N-O 3.09Å; R180-R256 HydrophobicContact CB-CG 4.46Å; R180-R256 WeakPolarHBondContact O-CA 3.49Å; R180-Q257 PolarHBondContact O-N 3.01Å
181	Q	63	Low	50.2	Low	8 Å²	8	47.4 Å²	47.4	4%	0.037	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	127.9	163.1	-79.6	173.3	-16.7	0	0	107.2	R104 Q105 M179 Q257	R104-Q181 PolarHBondContact O-N 3.3Å; Q105-Q181 WeakPolarHBondContact CA-O 3.48Å; M179-Q181 VanDerWaalsContact CE-CD 3.44Å; M179-Q181 HydrophobicContact CE-CG 4.1Å; Q181-Q257 WeakPolarHBondContact CA-O 3.44Å; Q181-Q257 HydrophobicContact CG-CB 4.11Å
182	S	51	Low	49.2	Very low	37 Å²	37	46.9 Å²	46.9	26%	0.259	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	129.1	170.9	50.1	0	0	0	0	108.3	Q257 S258 V259	S182-Q257 PolarHBondContact N-O 2.77Å; S182-S258 WeakPolarHBondContact O-CA 3.35Å; S182-V259 PolarHBondContact O-N 3.23Å
183	V	53.4	Low	48	Very low	24 Å²	24	51.8 Å²	51.8	15%	0.145	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	110.3	171.7	-178.5	0	0	0	0	105.4	F154 V259	F154-V183 HydrophobicContact CE2-CG2 4.47Å; F154-V183 HydrophobicContact CZ-CG2 4.39Å; V183-V259 HydrophobicContact CG1-CG1 4.46Å; V183-V259 HydrophobicContact CG2-CB 4.47Å
184	E	39.7	Very low	46.8	Very low	112 Å²	112	48.9 Å²	48.9	52%	0.523	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	102.5	-176.7	-154.7	152.6	151.7	0	0	107.9	V259 N261	E184-V259 PolarHBondContact N-O 2.97Å; E184-V259 VanDerWaalsContact N-O 3.09Å; E184-N261 PolarHBondContact O-N 3Å
185	N	42	Very low	44.9	Very low	54 Å²	54	53.4 Å²	53.4	29%	0.289	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	105	-172.6	-76.5	-15.6	0	0	0	109.3	S187 N261	N185-S187 VanDerWaalsContact C-N 3.27Å; N185-S187 PolarHBondContact O-N 3.17Å; N185-N261 PolarHBondContact OD1-ND2 3.38Å
186	T	30.1	Very low	42.9	Very low	115 Å²	115	55.4 Å²	55.4	71%	0.706	30%	0.304	S	S	*	.			trans	-78.3	78.3	175.9	-57.6	0	0	0	0	110.3
187	S	30.2	Very low	40.9	Very low	27 Å²	27	59 Å²	59	19%	0.189	33%	0.33	C	S	.	.			trans	-152	174.1	-171.1	-179.6	0	0	0	0	112.9	T110 N185 Q265	T110-S187 PolarHBondContact N-O 2.94Å; N185-S187 VanDerWaalsContact C-N 3.27Å; N185-S187 PolarHBondContact O-N 3.17Å; S187-Q265 WeakPolarHBondContact OG-CG 3.19Å
188	T	26	Very low	39.2	Very low	48 Å²	48	60.7 Å²	60.7	29%	0.294	34%	0.34	S	S	.	.			trans	-74.7	-175.7	-175.9	52.7	0	0	0	0	114.9	Q265	T188-Q265 HydrophobicContact CG2-CG 4.09Å; T188-Q265 WeakPolarHBondContact OG1-CG 3.36Å
189	Q	25.4	Very low	37.4	Very low	29 Å²	29	66.2 Å²	66.2	14%	0.136	37%	0.374	C	S	.	.			trans	-88.7	-139	-179.5	-148.6	-151	-3.7	0	0	109.5	D191	Q189-D191 PolarHBondContact NE2-OD2 3.13Å
190	T	29.4	Very low	35.8	Very low	73 Å²	73	69.4 Å²	69.4	45%	0.448	39%	0.39	S	S	.	.			cis	-121.4	150	1.7	-58.3	0	0	0	0	110.1	T112 Q113	T112-T190 PolarHBondContact O-OG1 3.45Å; Q113-T190 HydrophobicContact CB-CG2 3.98Å; Q113-T190 HydrophobicContact CG-CG2 3.75Å
191	D	28	Very low	34.7	Very low	69 Å²	69	65.2 Å²	65.2	37%	0.369	38%	0.377	S	S	.	.			trans	-71.5	140.3	-162.7	-91.9	-40.1	0	0	0	116.3	N33 R75 Q189	N33-D191 PolarHBondContact ND2-OD2 2.91Å; R75-D191 VanDerWaalsContact NH2-C 3.27Å; Q189-D191 PolarHBondContact NE2-OD2 3.13Å
192	P	27.6	Very low	34.1	Very low	50 Å²	50	68.1 Å²	68.1	33%	0.325	39%	0.389	S	S	.	.			trans	-65.4	177.7	171.5	0.1	-1.9	0	0	0	115.9	R75 M269	R75-P192 HydrophobicContact CG-CB 4.33Å; R75-P192 HydrophobicContact CG-CG 4.39Å; R75-P192 PolarHBondContact NH1-O 3.12Å; P192-M269 HydrophobicContact CG-CB 4.32Å; P192-M269 HydrophobicContact CG-CG 3.86Å; P192-M269 HydrophobicContact CG-SD 3.29Å; P192-M269 WeakPolarHBondContact CG-SD 3.37Å
193	M	29.2	Very low	34.6	Very low	111 Å²	111	67.8 Å²	67.8	55%	0.547	39%	0.386	S	S	.	.			trans	-126.1	-179.1	141.6	-74	-167.1	78.8	0	0	110.4	P116 A118	P116-M193 HydrophobicContact CG-CG 4.13Å; P116-M193 HydrophobicContact CG-SD 4.11Å; A118-M193 HydrophobicContact CB-CE 4.26Å
194	A	29.1	Very low	35.2	Very low	61 Å²	61	67.2 Å²	67.2	50%	0.504	38%	0.382	S	S	.	.			trans	-113.4	143.5	-147.9	0	0	0	0	0	119
195	Q	25.8	Very low	36.9	Very low	145 Å²	145	63.5 Å²	63.5	68%	0.678	36%	0.364	S	S	*	.			trans	57	105	142.9	-66.5	179.1	21.9	0	0	120.7	M1	M1-Q195 HydrophobicContact CE-CG 4.09Å; M1-Q195 HydrophobicContact CG-CG 4.25Å; M1-Q195 HydrophobicContact SD-CG 4.11Å
196	V	26.5	Very low	38.6	Very low	56 Å²	56	63.5 Å²	63.5	34%	0.339	37%	0.365	S	S	.	.			trans	-142.9	147.4	153.1	-172.3	0	0	0	0	107.7	P121	P121-V196 HydrophobicContact CB-CG1 4.2Å; P121-V196 HydrophobicContact CB-CG2 4.49Å
197	P	26.9	Very low	40.7	Very low	107 Å²	107	58.4 Å²	58.4	70%	0.695	33%	0.333	S	S	*	.			trans	-75.5	122.4	172.6	-13.5	29.6	0	0	0	111.5
198	T	31.4	Very low	42.9	Very low	35 Å²	35	57.3 Å²	57.3	22%	0.215	33%	0.325	C	S	.	.			trans	-116.2	130.6	-177.9	-57.3	0	0	0	0	110.8	L124	L124-T198 HydrophobicContact CB-CG2 4.07Å; L124-T198 HydrophobicContact CD1-CG2 3.89Å
199	V	32.7	Very low	45.2	Very low	124 Å²	124	55.2 Å²	55.2	75%	0.752	31%	0.313	S	S	*	.			trans	-84.9	113.1	159.2	176.4	0	0	0	0	106.1	P201	V199-P201 WeakPolarHBondContact O-CD 3.43Å
200	L	41.1	Very low	47.5	Very low	67 Å²	67	53.9 Å²	53.9	35%	0.351	31%	0.306	S	S	.	.			trans	-63.3	123.8	-177.1	-93.8	156.3	0	0	0	110.5	T274	L200-T274 HydrophobicContact CB-CG2 4.16Å; L200-T274 HydrophobicContact CD1-CG2 3.46Å; L200-T274 VanDerWaalsContact CD1-CG2 3.46Å; L200-T274 HydrophobicContact CG-CG2 4.41Å
201	P	41.1	Very low	49.6	Very low	17 Å²	17	51 Å²	51	11%	0.11	29%	0.29	C	S	.	.			trans	-70.1	152.5	-177.7	23.1	-31.5	0	0	0	113.4	P125 T127 V199 T203 P277	P125-P201 VanDerWaalsContact O-CB 3.24Å; P125-P201 WeakPolarHBondContact O-CB 3.35Å; P125-P201 WeakPolarHBondContact O-CG 3.46Å; T127-P201 WeakPolarHBondContact OG1-CG 3.46Å; V199-P201 WeakPolarHBondContact O-CD 3.43Å; P201-T203 VanDerWaalsContact C-N 3.34Å; P201-T203 PolarHBondContact O-N 2.94Å; P201-P277 WeakPolarHBondContact O-CG 3.43Å
202	K	49.8	Very low	51.7	Low	70 Å²	70	48 Å²	48	30%	0.304	28%	0.275	S	S	.	.			trans	-65.6	91	168.9	-169.4	-116	167.5	-167.7	0	111.1	K126 T204 P277 K278 T280	K126-K202 WeakPolarHBondContact CE-O 3.38Å; K126-K202 VanDerWaalsContact CG-O 3.23Å; K126-K202 WeakPolarHBondContact CG-O 3.37Å; K126-K202 PolarHBondContact NZ-O 3.41Å; K202-T204 WeakPolarHBondContact CD-OG1 3.3Å; K202-T204 VanDerWaalsContact CE-OG1 3.27Å; K202-T204 WeakPolarHBondContact CE-OG1 3.5Å; K202-T204 PolarHBondContact NZ-OG1 2.98Å; K202-P277 HydrophobicContact CB-CB 4.07Å; K202-P277 HydrophobicContact CG-CB 4.44Å; K202-K278 WeakPolarHBondContact CE-O 3.5Å; K202-K278 VanDerWaalsContact CG-O 3.22Å; K202-K278 WeakPolarHBondContact CG-O 3.41Å; K202-T280 PolarHBondContact NZ-OG1 3.13Å
203	T	61.4	Low	53.9	Low	30 Å²	30	47.1 Å²	47.1	18%	0.184	27%	0.268	C	S	.	.			trans	-59	150.2	167.8	-46.2	0	0	0	0	110.1	F129 P201 F205	F129-T203 HydrophobicContact CD2-CG2 3.82Å; F129-T203 HydrophobicContact CE2-CG2 3.91Å; P201-T203 VanDerWaalsContact C-N 3.34Å; P201-T203 PolarHBondContact O-N 2.94Å; T203-F205 HydrophobicContact CG2-CD2 3.99Å; T203-F205 HydrophobicContact CG2-CE1 4.28Å; T203-F205 HydrophobicContact CG2-CE2 3.43Å; T203-F205 VanDerWaalsContact CG2-CE2 3.43Å; T203-F205 HydrophobicContact CG2-CZ 3.6Å
204	T	66.9	Low	55.9	Low	12 Å²	12	41.9 Å²	41.9	7%	0.074	24%	0.243	C	C	.	.			trans	-153.7	130.6	178.5	-54.3	0	0	0	0	104.2	K126 F129 K202 D206 T280	K126-T204 PolarHBondContact NZ-OG1 3.21Å; F129-T204 PolarHBondContact N-O 3.09Å; K202-T204 WeakPolarHBondContact CD-OG1 3.3Å; K202-T204 VanDerWaalsContact CE-OG1 3.27Å; K202-T204 WeakPolarHBondContact CE-OG1 3.5Å; K202-T204 PolarHBondContact NZ-OG1 2.98Å; T204-D206 WeakPolarHBondContact CG2-OD1 3.06Å; T204-T280 WeakPolarHBondContact CG2-OG1 3.47Å
205	F	74.1	Confident	58.1	Low	33 Å²	33	42.3 Å²	42.3	15%	0.145	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	110	-179.5	-64.9	-86	0	0	0	107.3	F129 V132 T203 V208 T279 T280 F281 D282	F129-F205 HydrophobicContact CB-CD1 3.62Å; F129-F205 HydrophobicContact CB-CE1 4.02Å; F129-F205 AromaticContact CD2-CD1 3.78Å; F129-F205 HydrophobicContact CD2-CD1 3.78Å; F129-F205 AromaticContact CD2-CE1 3.35Å; F129-F205 HydrophobicContact CD2-CE1 3.35Å; F129-F205 AromaticContact CD2-CZ 3.95Å; F129-F205 HydrophobicContact CD2-CZ 3.95Å; F129-F205 AromaticContact CE2-CE1 3.92Å; F129-F205 HydrophobicContact CE2-CE1 3.92Å; F129-F205 HydrophobicContact CE2-CZ 4.22Å; F129-F205 AromaticContact CG-CD1 3.97Å; F129-F205 HydrophobicContact CG-CD1 3.97Å; F129-F205 AromaticContact CG-CE1 3.82Å; F129-F205 HydrophobicContact CG-CE1 3.82Å; F129-F205 VanDerWaalsContact O-CA 3.29Å; F129-F205 WeakPolarHBondContact O-CA 3.35Å; V132-F205 HydrophobicContact CG2-CD1 3.84Å; V132-F205 HydrophobicContact CG2-CE1 4.07Å; T203-F205 HydrophobicContact CG2-CD2 3.99Å; T203-F205 HydrophobicContact CG2-CE1 4.28Å; T203-F205 HydrophobicContact CG2-CE2 3.43Å; T203-F205 VanDerWaalsContact CG2-CE2 3.43Å; T203-F205 HydrophobicContact CG2-CZ 3.6Å; F205-V208 HydrophobicContact CB-CG2 3.69Å; F205-V208 HydrophobicContact CD1-CG2 4.14Å; F205-V208 HydrophobicContact CG-CG2 4.1Å; F205-T279 HydrophobicContact CD2-CG2 4.24Å; F205-T279 HydrophobicContact CE2-CG2 4.29Å; F205-T280 PolarHBondContact N-O 2.96Å; F205-F281 HydrophobicContact CB-CD1 3.66Å; F205-F281 HydrophobicContact CB-CE1 4.04Å; F205-F281 AromaticContact CD2-CD1 3.74Å; F205-F281 HydrophobicContact CD2-CD1 3.74Å; F205-F281 AromaticContact CD2-CE1 3.29Å; F205-F281 HydrophobicContact CD2-CE1 3.29Å; F205-F281 AromaticContact CD2-CZ 3.87Å; F205-F281 HydrophobicContact CD2-CZ 3.87Å; F205-F281 AromaticContact CE2-CE1 3.82Å; F205-F281 HydrophobicContact CE2-CE1 3.82Å; F205-F281 HydrophobicContact CE2-CZ 4.09Å; F205-F281 AromaticContact CG-CD1 3.96Å; F205-F281 HydrophobicContact CG-CD1 3.96Å; F205-F281 AromaticContact CG-CE1 3.8Å; F205-F281 HydrophobicContact CG-CE1 3.8Å; F205-F281 VanDerWaalsContact O-CA 3.29Å; F205-F281 WeakPolarHBondContact O-CA 3.43Å; F205-D282 PolarHBondContact O-N 3.3Å
206	D	77.6	Confident	60.1	Low	55 Å²	55	36.1 Å²	36.1	29%	0.294	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	-41.1	-173.2	-56	18.3	0	0	0	108.5	F129 D130 T204 D282 V283	F129-D206 PolarHBondContact O-N 2.74Å; D130-D206 WeakPolarHBondContact O-CB 3.28Å; T204-D206 WeakPolarHBondContact CG2-OD1 3.06Å; D206-D282 WeakPolarHBondContact O-CB 3.38Å; D206-V283 PolarHBondContact O-N 3.01Å
207	V	75	Confident	61.9	Low	8 Å²	8	35.7 Å²	35.7	5%	0.048	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	131.7	169.8	-174.9	0	0	0	0	112.6	D130 V131 V132 V283 V1166	D130-V207 PolarHBondContact O-N 2.86Å; V131-V207 CarbonylContact C-O 3.57Å; V131-V207 WeakPolarHBondContact CA-O 3.36Å; V131-V207 HydrophobicContact CG1-CB 4.21Å; V131-V207 HydrophobicContact CG1-CG1 4.34Å; V131-V207 HydrophobicContact CG2-CB 4.4Å; V132-V207 PolarHBondContact N-O 3.09Å; V207-V283 CarbonylContact C-O 3.57Å; V207-V283 WeakPolarHBondContact CA-O 3.49Å; V207-V283 HydrophobicContact CG1-CB 4.49Å; V207-V283 HydrophobicContact CG2-CB 4.4Å; V207-V1166 HydrophobicContact CG1-CG1 4.3Å; V207-V1166 HydrophobicContact CG2-CG1 4.34Å; V207-V1166 HydrophobicContact CG2-CG2 3.71Å
208	V	75.9	Confident	63.4	Low	3 Å²	3	33 Å²	33	2%	0.018	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	124.7	170.7	-175.9	0	0	0	0	110.2	V132 I147 F205 F281 V283 V284 T285	V132-V208 CarbonylContact O-C 3.07Å; V132-V208 WeakPolarHBondContact O-CA 3.43Å; I147-V208 HydrophobicContact CD1-CG1 3.85Å; I147-V208 HydrophobicContact CG2-CG1 4.4Å; F205-V208 HydrophobicContact CB-CG2 3.69Å; F205-V208 HydrophobicContact CD1-CG2 4.14Å; F205-V208 HydrophobicContact CG-CG2 4.1Å; V208-F281 HydrophobicContact CG2-CD1 3.9Å; V208-F281 HydrophobicContact CG2-CE1 4.19Å; V208-V283 PolarHBondContact N-O 3.06Å; V208-V284 CarbonylContact O-C 3.56Å; V208-V284 WeakPolarHBondContact O-CA 3.42Å; V208-T285 PolarHBondContact O-N 3.26Å
209	T	74.6	Confident	64.5	Low	5 Å²	5	31.6 Å²	31.6	3%	0.031	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	125.1	180	-61.9	0	0	0	0	112.2	V132 T133 Q134 T285 T1168	V132-T209 PolarHBondContact O-N 2.7Å; T133-T209 CarbonylContact C-O 3.46Å; T133-T209 WeakPolarHBondContact CA-O 3.33Å; Q134-T209 PolarHBondContact N-O 3.48Å; T209-T285 CarbonylContact C-O 3.5Å; T209-T285 WeakPolarHBondContact CA-O 3.35Å; T209-T1168 HydrophobicContact CG2-CG2 4.49Å
210	Q	73.7	Confident	65.9	Low	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	128.2	170.9	-167	-178.5	57.9	0	0	110.3	Q134 Q145 I147 T222 I223 T285 Q286 S287	Q134-Q210 VanDerWaalsContact OE1-NE2 3.08Å; Q145-Q210 PolarHBondContact O-NE2 3.3Å; I147-Q210 HydrophobicContact CD1-CB 3.88Å; I147-Q210 HydrophobicContact CD1-CG 4.27Å; Q210-T222 PolarHBondContact NE2-O 3.2Å; Q210-T222 PolarHBondContact OE1-O 3.34Å; Q210-I223 HydrophobicContact CB-CD1 3.76Å; Q210-I223 HydrophobicContact CB-CG1 4.23Å; Q210-T285 PolarHBondContact N-O 2.92Å; Q210-Q286 WeakPolarHBondContact O-CA 3.35Å; Q210-S287 PolarHBondContact O-N 2.83Å
211	S	73.5	Confident	66.6	Low	14 Å²	14	23.1 Å²	23.1	10%	0.098	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	145.7	175.5	176.3	0	0	0	0	110.4	Q134 S135 G136 S287	Q134-S211 PolarHBondContact O-N 3.36Å; S135-S211 VanDerWaalsContact CA-O 3.26Å; S135-S211 WeakPolarHBondContact CA-O 3.41Å; G136-S211 PolarHBondContact N-O 2.98Å; G136-S211 VanDerWaalsContact N-O 3.14Å; S211-S287 VanDerWaalsContact CA-O 3.29Å; S211-S287 WeakPolarHBondContact CA-O 2.93Å
212	G	72.7	Confident	67.2	Low	6 Å²	6	22.5 Å²	22.5	6%	0.062	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.6	161.8	172.4	0	0	0	0	0	117.4	G136 S287 G288 T289	G136-G212 CarbonylContact O-C 2.64Å; G136-G212 WeakPolarHBondContact O-CA 3.49Å; G212-S287 PolarHBondContact N-O 2.93Å; G212-G288 CarbonylContact O-C 3.29Å; G212-G288 WeakPolarHBondContact O-CA 3.48Å; G212-T289 PolarHBondContact O-N 3Å
213	T	73.6	Confident	67.5	Low	30 Å²	30	19.3 Å²	19.3	18%	0.184	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	115.3	176.2	-63.4	0	0	0	0	109.2	G136 T137 V138 T289	G136-T213 PolarHBondContact O-N 3.32Å; T137-T213 CarbonylContact C-O 3.57Å; T137-T213 VanDerWaalsContact CA-O 3.26Å; T137-T213 WeakPolarHBondContact CA-O 3.4Å; V138-T213 PolarHBondContact N-O 3.37Å; T213-T289 CarbonylContact C-O 3.56Å; T213-T289 VanDerWaalsContact CA-O 3.3Å; T213-T289 WeakPolarHBondContact CA-O 3.25Å
214	V	70.1	Confident	67	Low	2 Å²	2	19.4 Å²	19.4	1%	0.012	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	119.1	-175.3	-176.6	0	0	0	0	109.6	V138 S143 T289 V290 H291	V138-V214 HydrophobicContact CB-CG1 4.48Å; V138-V214 HydrophobicContact CB-CG2 4.49Å; S143-V214 WeakPolarHBondContact OG-CG1 3.12Å; V214-T289 PolarHBondContact N-O 3.39Å; V214-V290 HydrophobicContact CB-CG1 4.47Å; V214-V290 WeakPolarHBondContact O-CA 3.34Å; V214-H291 PolarHBondContact O-N 3.16Å
215	H	75.1	Confident	65.8	Low	69 Å²	69	19.2 Å²	19.2	32%	0.319	11%	0.111	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	107.7	-178	-176.4	-79.1	0	0	0	111.3	V138 H139 C140 H291	V138-H215 PolarHBondContact O-N 3.33Å; H139-H215 WeakPolarHBondContact CA-O 3.4Å; H139-H215 AromaticContact CD2-CG 3.76Å; H139-H215 AromaticContact CD2-ND1 3.2Å; H139-H215 PolarHBondContact CD2-ND1 3.3Å; H139-H215 AromaticContact NE2-CE1 3.73Å; H139-H215 AromaticContact NE2-ND1 3.17Å; H139-H215 PolarHBondContact NE2-ND1 3.01Å; H139-H215 VanDerWaalsContact NE2-ND1 3.17Å; C140-H215 PolarHBondContact N-O 2.94Å; H215-H291 WeakPolarHBondContact CA-O 3.36Å; H215-H291 AromaticContact CD2-CG 3.72Å; H215-H291 AromaticContact CD2-ND1 3.18Å; H215-H291 PolarHBondContact CD2-ND1 3.28Å; H215-H291 AromaticContact NE2-CE1 3.75Å; H215-H291 AromaticContact NE2-ND1 3.19Å; H215-H291 PolarHBondContact NE2-ND1 2.93Å; H215-H291 VanDerWaalsContact NE2-ND1 3.19Å
216	C	68.3	Low	64.2	Low	15 Å²	15	20.2 Å²	20.2	10%	0.101	12%	0.116	C	C	.	.	S	Bend	trans	-159.4	-168.2	-169	65.6	0	0	0	0	113.9	C140 S143 Q218 S219 H291 C292	C140-C216 WeakPolarHBondContact O-CA 3.42Å; C140-C216 VanDerWaalsContact O-CB 3.28Å; C140-C216 WeakPolarHBondContact O-CB 3.32Å; S143-C216 PolarHBondContact OG-SG 3.06Å; C216-Q218 PolarHBondContact SG-O 3.01Å; C216-S219 WeakPolarHBondContact SG-CB 3.5Å; C216-H291 PolarHBondContact N-O 3.31Å; C216-H291 VanDerWaalsContact N-O 3.1Å; C216-C292 WeakPolarHBondContact O-CA 3.23Å; C216-C292 WeakPolarHBondContact O-CB 3.27Å
217	A	65.1	Low	62.8	Low	47 Å²	47	18.1 Å²	18.1	39%	0.388	11%	0.105	S	C	.	.	S	Bend	trans	-86.4	-44.2	165.1	0	0	0	0	0	111.5	A141 A293 Q294	A141-A217 WeakPolarHBondContact O-CA 3.33Å; A141-A217 WeakPolarHBondContact O-CB 3.27Å; A141-A217 PolarHBondContact O-N 3.18Å; A217-A293 WeakPolarHBondContact O-CA 3.37Å; A217-A293 VanDerWaalsContact O-CB 3.3Å; A217-A293 WeakPolarHBondContact O-CB 3.16Å; A217-A293 PolarHBondContact O-N 3.32Å; A217-Q294 PolarHBondContact O-N 3Å
218	Q	58.4	Low	61.3	Low	52 Å²	52	17.8 Å²	17.8	24%	0.243	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	132	-179.1	-60.7	174.3	-56.8	0	0	111	A141 Q142 S143 C216 Q294 T340	A141-Q218 PolarHBondContact O-N 3.16Å; Q142-Q218 WeakPolarHBondContact CA-O 3.3Å; Q142-Q218 HydrophobicContact CG-CB 4.47Å; S143-Q218 PolarHBondContact N-O 3.04Å; S143-Q218 VanDerWaalsContact N-O 3.11Å; S143-Q218 PolarHBondContact OG-O 3.07Å; C216-Q218 PolarHBondContact SG-O 3.01Å; Q218-Q294 WeakPolarHBondContact CA-O 3.12Å; Q218-Q294 HydrophobicContact CG-CB 4.48Å; Q218-T340 HydrophobicContact CB-CG2 4.02Å; Q218-T340 HydrophobicContact CG-CG2 4.47Å
219	S	54.8	Low	60	Low	4 Å²	4	18.4 Å²	18.4	3%	0.028	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	140.8	-173.3	39.6	0	0	0	0	113.5	S143 C216 V290 C292 Q294 S295 V296	S143-S219 WeakPolarHBondContact OG-CA 3.36Å; S143-S219 WeakPolarHBondContact OG-CB 3.49Å; C216-S219 WeakPolarHBondContact SG-CB 3.5Å; S219-V290 WeakPolarHBondContact OG-CG1 3.29Å; S219-C292 PolarHBondContact OG-SG 2.97Å; S219-Q294 PolarHBondContact N-O 2.96Å; S219-Q294 VanDerWaalsContact N-O 3.13Å; S219-S295 WeakPolarHBondContact O-CA 3.28Å; S219-V296 PolarHBondContact O-N 3.43Å; S219-V296 VanDerWaalsContact O-N 3.12Å
220	V	61.5	Low	59	Low	13 Å²	13	18.3 Å²	18.3	8%	0.079	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	144.6	163.4	-174.9	0	0	0	0	110	S143 Q145 V296 T340 Q341	S143-V220 PolarHBondContact O-N 3.11Å; S143-V220 VanDerWaalsContact O-N 3.14Å; Q145-V220 PolarHBondContact N-O 2.71Å; V220-V296 WeakPolarHBondContact CA-O 3.49Å; V220-V296 HydrophobicContact CG1-CB 4.12Å; V220-V296 HydrophobicContact CG1-CG1 4.47Å; V220-V296 HydrophobicContact CG2-CB 3.99Å; V220-V296 HydrophobicContact CG2-CG2 4.31Å; V220-T340 VanDerWaalsContact CG2-O 3.24Å; V220-T340 WeakPolarHBondContact CG2-O 3.45Å; V220-Q341 HydrophobicContact CB-CB 3.67Å; V220-Q341 HydrophobicContact CB-CG 4.3Å; V220-Q341 HydrophobicContact CG1-CB 3.94Å; V220-Q341 VanDerWaalsContact CG1-CD 3.42Å; V220-Q341 HydrophobicContact CG1-CG 4.21Å; V220-Q341 VanDerWaalsContact CG1-OE1 3.23Å; V220-Q341 HydrophobicContact CG2-CB 3.78Å
221	Q	55.6	Low	58.3	Low	1 Å²	1	19 Å²	19	1%	0.005	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	121	178.8	-175.2	179.4	52.5	0	0	108.6	Q145 V296 T298	Q145-Q221 HydrophobicContact CB-CG 4.48Å; Q221-V296 PolarHBondContact N-O 3.39Å; Q221-T298 PolarHBondContact O-N 3.39Å; Q221-T298 VanDerWaalsContact O-N 3.17Å
222	T	53.2	Low	57.7	Low	3 Å²	3	18.4 Å²	18.4	2%	0.018	10%	0.104	C	C	.	.			trans	-138.5	165.6	-171.7	-156.4	0	0	0	0	113.7	Q145 T146 Q210 E225 T298	Q145-T222 PolarHBondContact O-N 3.1Å; T146-T222 WeakPolarHBondContact OG1-CG2 3.41Å; Q210-T222 PolarHBondContact NE2-O 3.2Å; Q210-T222 PolarHBondContact OE1-O 3.34Å; T222-E225 HydrophobicContact CG2-CG 4.1Å; T222-T298 WeakPolarHBondContact CA-O 3.49Å
223	I	55.9	Low	57.1	Low	3 Å²	3	20.2 Å²	20.2	2%	0.015	11%	0.114	C	C	.	.	S	Bend	trans	-143.7	140.9	175.4	-55.1	177.4	0	0	0	106.8	I147 Q210 V284 Q286 P300	I147-I223 HydrophobicContact CB-CG2 4.49Å; I147-I223 HydrophobicContact CD1-CG1 4.37Å; I147-I223 HydrophobicContact CD1-CG2 4.49Å; I147-I223 HydrophobicContact CG2-CG2 4.47Å; Q210-I223 HydrophobicContact CB-CD1 3.76Å; Q210-I223 HydrophobicContact CB-CG1 4.23Å; I223-V284 HydrophobicContact CD1-CG1 4.35Å; I223-V284 HydrophobicContact CG2-CG1 4.19Å; I223-Q286 HydrophobicContact CD1-CB 3.7Å; I223-Q286 HydrophobicContact CD1-CG 3.9Å; I223-P300 WeakPolarHBondContact O-CA 3.38Å; I223-P300 WeakPolarHBondContact O-CB 3.2Å
224	P	51.1	Low	56.8	Low	33 Å²	33	22.3 Å²	22.3	21%	0.214	12%	0.124	C	C	.	.				-57.6	163.2	-108.6	39.6	-40.5	0	0	0	117	P148 P300	P148-P224 WeakPolarHBondContact O-CB 3.41Å; P224-P300 WeakPolarHBondContact O-CB 3.29Å
225	E	43.3	Very low	56.9	Low	8 Å²	8	22.2 Å²	22.2	4%	0.037	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	132.6	-179.3	-52	-177.8	158.7	0	0	112.6	T222 R227 R303 Q341	T222-E225 HydrophobicContact CG2-CG 4.1Å; E225-R227 HydrophobicContact CB-CG 4.46Å; E225-R303 IonicContact OE1-CZ 2.68Å; E225-R303 IonicContact OE1-NH1 2.74Å; E225-R303 IonicContact OE1-NH2 2.72Å; E225-R303 PolarHBondContact OE1-NH2 2.96Å; E225-R303 IonicContact OE2-CZ 3.78Å; E225-R303 VanDerWaalsContact OE2-CZ 3.3Å; E225-R303 IonicContact OE2-NH1 3.26Å; E225-R303 PolarHBondContact OE2-NH1 2.96Å; E225-R303 IonicContact OE2-NH2 3.04Å; E225-R303 PolarHBondContact OE2-NH2 2.9Å; E225-R303 VanDerWaalsContact OE2-NH2 3.1Å; E225-Q341 PolarHBondContact OE1-NE2 2.92Å
226	E	39.8	Very low	57	Low	53 Å²	53	19.4 Å²	19.4	25%	0.248	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	113.5	164.7	-171.7	175.4	172.8	0	0	109.6	E301 E302 R303 M345	E226-E301 PolarHBondContact N-O 2.76Å; E226-E301 VanDerWaalsContact N-O 3.07Å; E226-E302 WeakPolarHBondContact O-CA 3.17Å; E226-R303 WeakPolarHBondContact O-CG 3.39Å; E226-R303 PolarHBondContact O-N 3.05Å; E226-M345 HydrophobicContact CG-CE 3.66Å
227	R	47.6	Very low	57.3	Low	12 Å²	12	18.8 Å²	18.8	5%	0.045	11%	0.109	C	C	.	.			trans	-91.8	174.6	-163.7	-31.6	179.9	174.5	-178	0.5	112.6	E149 E225 V229 T266 D343 P344 M345	E149-R227 IonicContact OE2-CZ 3.68Å; E149-R227 IonicContact OE2-NE 2.68Å; E149-R227 IonicContact OE2-NH2 3.96Å; E149-R227 PolarHBondContact OE2-NH2 3.19Å; E225-R227 HydrophobicContact CB-CG 4.46Å; R227-V229 WeakPolarHBondContact O-CG2 3.41Å; R227-T266 PolarHBondContact NH2-O 3.01Å; R227-D343 PolarHBondContact NH1-O 3.24Å; R227-D343 VanDerWaalsContact NH1-O 3.08Å; R227-P344 WeakPolarHBondContact CD-O 3.49Å; R227-M345 HydrophobicContact CB-CB 3.74Å; R227-M345 HydrophobicContact CB-CG 3.7Å; R227-M345 HydrophobicContact CG-CG 4.16Å; R227-M345 WeakPolarHBondContact O-CB 3.44Å; R227-M345 WeakPolarHBondContact O-CE 2.89Å
228	P	43.9	Very low	57.6	Low	1 Å²	1	19.5 Å²	19.5	1%	0.006	11%	0.106	C	C	.	.			trans	-57.6	163.7	-176.4	21.7	-35.2	0	0	0	117.4	R303 P304 D343 P344 M345 A346	P228-R303 VanDerWaalsContact CA-C 3.49Å; P228-R303 WeakPolarHBondContact CA-O 3.34Å; P228-P304 CarbonylContact C-O 3.45Å; P228-P304 WeakPolarHBondContact CA-O 3.49Å; P228-P304 VanDerWaalsContact CB-C 3.47Å; P228-P304 HydrophobicContact CB-CB 3.66Å; P228-P304 HydrophobicContact CB-CG 4.06Å; P228-P304 WeakPolarHBondContact CB-O 3.32Å; P228-D343 WeakPolarHBondContact CD-OD2 3.26Å; P228-P344 HydrophobicContact CG-CB 3.2Å; P228-M345 CarbonylContact O-C 3.47Å; P228-M345 WeakPolarHBondContact O-CA 3.41Å; P228-M345 WeakPolarHBondContact O-CB 3.32Å; P228-M345 PolarHBondContact O-N 3.01Å; P228-M345 VanDerWaalsContact O-O 3.09Å; P228-A346 PolarHBondContact O-N 2.85Å
229	V	48.9	Very low	58.2	Low	15 Å²	15	17.7 Å²	17.7	9%	0.091	10%	0.098	C	C	.	.			trans	-143.6	90.1	-158.5	-148.8	0	0	0	0	108.3	R227 P304 V305 F306 M345 A346 Q347	R227-V229 WeakPolarHBondContact O-CG2 3.41Å; V229-P304 PolarHBondContact N-O 3.16Å; V229-V305 HydrophobicContact CB-CB 3.88Å; V229-V305 HydrophobicContact CB-CG1 3.93Å; V229-V305 HydrophobicContact CB-CG2 3.62Å; V229-V305 HydrophobicContact CG2-CB 4.12Å; V229-V305 HydrophobicContact CG2-CG1 4.46Å; V229-V305 HydrophobicContact CG2-CG2 3.28Å; V229-V305 CarbonylContact O-C 2.72Å; V229-V305 VanDerWaalsContact O-CA 3.22Å; V229-V305 WeakPolarHBondContact O-CA 3.38Å; V229-F306 PolarHBondContact O-N 3.12Å; V229-M345 HydrophobicContact CG2-CE 4.45Å; V229-A346 WeakPolarHBondContact CG1-O 3.37Å; V229-Q347 VanDerWaalsContact C-N 3.32Å; V229-Q347 HydrophobicContact CB-CB 4.15Å; V229-Q347 HydrophobicContact CB-CG 3.88Å; V229-Q347 VanDerWaalsContact CG1-CA 3.42Å; V229-Q347 HydrophobicContact CG1-CB 3.81Å; V229-Q347 HydrophobicContact CG1-CG 3.61Å; V229-Q347 VanDerWaalsContact O-CB 3.26Å; V229-Q347 WeakPolarHBondContact O-CB 3.5Å; V229-Q347 WeakPolarHBondContact O-CG 3.16Å; V229-Q347 PolarHBondContact O-NE2 2.91Å; V229-Q347 VanDerWaalsContact O-NE2 3.17Å; V229-Q347 PolarHBondContact O-OE1 3.26Å
230	F	53	Low	58.6	Low	4 Å²	4	21.3 Å²	21.3	2%	0.018	12%	0.12	C	C	.	.			trans	-84.3	118.8	175.2	-48.4	-80.6	0	0	0	120.6	F154 V259 F306 V335 A346 Q347	F154-F230 HydrophobicContact CD1-CD2 4.12Å; F154-F230 AromaticContact CE1-CD2 3.63Å; F154-F230 HydrophobicContact CE1-CD2 3.63Å; F154-F230 AromaticContact CE1-CE2 3.89Å; F154-F230 HydrophobicContact CE1-CE2 3.89Å; F154-F230 HydrophobicContact CZ-CD2 4.33Å; F154-F230 HydrophobicContact CZ-CE2 4.31Å; F230-V259 HydrophobicContact CE2-CG2 4.02Å; F230-V259 HydrophobicContact CZ-CG2 4.29Å; F230-F306 CarbonylContact C-O 3.53Å; F230-F306 WeakPolarHBondContact CA-O 3.42Å; F230-F306 HydrophobicContact CD1-CB 3.82Å; F230-F306 HydrophobicContact CD1-CD1 4.48Å; F230-F306 AromaticContact CD1-CD2 3.45Å; F230-F306 HydrophobicContact CD1-CD2 3.45Å; F230-F306 VanDerWaalsContact CD1-CD2 3.45Å; F230-F306 AromaticContact CD1-CE2 4Å; F230-F306 HydrophobicContact CD1-CE2 4Å; F230-F306 AromaticContact CD1-CG 3.75Å; F230-F306 HydrophobicContact CD1-CG 3.75Å; F230-F306 HydrophobicContact CE1-CD1 4.47Å; F230-F306 AromaticContact CE1-CD2 3.44Å; F230-F306 HydrophobicContact CE1-CD2 3.44Å; F230-F306 VanDerWaalsContact CE1-CD2 3.44Å; F230-F306 HydrophobicContact CE1-CE1 4.49Å; F230-F306 AromaticContact CE1-CE2 3.46Å; F230-F306 HydrophobicContact CE1-CE2 3.46Å; F230-F306 VanDerWaalsContact CE1-CE2 3.46Å; F230-F306 AromaticContact CE1-CG 3.99Å; F230-F306 HydrophobicContact CE1-CG 3.99Å; F230-F306 HydrophobicContact CE1-CZ 4.01Å; F230-F306 HydrophobicContact CG-CD2 4.4Å; F230-F306 HydrophobicContact CZ-CD2 4.39Å; F230-F306 HydrophobicContact CZ-CE2 4.18Å; F230-V335 HydrophobicContact CE1-CG2 3.84Å; F230-V335 HydrophobicContact CZ-CB 4.35Å; F230-V335 HydrophobicContact CZ-CG2 3.55Å; F230-A346 HydrophobicContact CB-CB 4.24Å; F230-A346 HydrophobicContact CD2-CB 3.67Å; F230-A346 HydrophobicContact CG-CB 4.44Å; F230-A346 VanDerWaalsContact N-C 3.32Å; F230-A346 VanDerWaalsContact N-CA 3.27Å; F230-Q347 VanDerWaalsContact O-CB 3.29Å; F230-Q347 WeakPolarHBondContact O-CB 3.39Å; F230-Q347 PolarHBondContact O-N 3.08Å
231	H	58.3	Low	58.6	Low	15 Å²	15	21.6 Å²	21.6	7%	0.069	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	138	163.1	-75.9	130.2	0	0	0	110.1	F306 H307 T308 Q347 V348 P349	H231-F306 PolarHBondContact N-O 3.22Å; H231-H307 HydrophobicContact CB-CB 4.48Å; H231-H307 WeakPolarHBondContact CB-ND1 3.45Å; H231-H307 AromaticContact CE1-ND1 3.94Å; H231-H307 AromaticContact CG-CE1 3.97Å; H231-H307 AromaticContact CG-ND1 3.46Å; H231-H307 AromaticContact ND1-CE1 3.41Å; H231-H307 PolarHBondContact ND1-CE1 2.8Å; H231-H307 AromaticContact ND1-ND1 2.85Å; H231-H307 PolarHBondContact ND1-ND1 2.98Å; H231-T308 PolarHBondContact O-N 2.9Å; H231-Q347 HydrophobicContact CB-CB 4.17Å; H231-Q347 HydrophobicContact CB-CG 4.49Å; H231-Q347 PolarHBondContact CD2-O 2.93Å; H231-Q347 VanDerWaalsContact CD2-O 3.26Å; H231-Q347 VanDerWaalsContact N-CB 3.3Å; H231-Q347 VanDerWaalsContact ND1-CG 3.31Å; H231-Q347 WeakPolarHBondContact ND1-CG 3.49Å; H231-Q347 PolarHBondContact ND1-OE1 3.43Å; H231-Q347 PolarHBondContact NE2-O 2.89Å; H231-V348 VanDerWaalsContact CE1-C 3.5Å; H231-V348 VanDerWaalsContact NE2-C 3.32Å; H231-V348 WeakPolarHBondContact NE2-CA 2.73Å; H231-P349 VanDerWaalsContact NE2-CD 3.27Å; H231-P349 WeakPolarHBondContact NE2-CD 3.35Å; H231-P349 WeakPolarHBondContact NE2-CG 3.11Å
232	T	60.9	Low	58.5	Low	1 Å²	1	29.8 Å²	29.8	1%	0.006	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	119.8	162	-56.9	0	0	0	0	109.6	H155 T156 V157 V235 M255 Q257 T308 M331	H155-T232 PolarHBondContact O-N 2.94Å; T156-T232 WeakPolarHBondContact CA-O 3.43Å; V157-T232 PolarHBondContact N-O 3.24Å; V157-T232 VanDerWaalsContact N-O 3.1Å; T232-V235 HydrophobicContact CG2-CG2 3.82Å; T232-M255 HydrophobicContact CG2-SD 4.05Å; T232-Q257 PolarHBondContact OG1-NE2 3.09Å; T232-T308 WeakPolarHBondContact CA-O 3.26Å; T232-M331 HydrophobicContact CG2-CE 3.92Å; T232-M331 HydrophobicContact CG2-SD 3.61Å; T232-M331 WeakPolarHBondContact OG1-CE 3.27Å
233	V	61.4	Low	58.4	Low	43 Å²	43	30 Å²	30	26%	0.261	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	-73.1	176.5	-171.6	0	0	0	0	109.7	V157 S158 T308 V309	V157-V233 HydrophobicContact CB-CG1 4.17Å; V157-V233 WeakPolarHBondContact CB-O 3.35Å; V157-V233 HydrophobicContact CG2-CG1 4.21Å; S158-V233 PolarHBondContact N-O 3.45Å; V233-T308 PolarHBondContact N-O 2.89Å; V233-V309 HydrophobicContact CB-CG1 4.45Å; V233-V309 WeakPolarHBondContact CB-O 3.17Å; V233-V309 HydrophobicContact CG2-CG1 4.4Å
234	N	66.7	Low	57.9	Low	74 Å²	74	36.3 Å²	36.3	40%	0.396	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	134	-173.9	-68.6	-16	0	0	0	114.6	S158 V309 S310 V311	S158-N234 PolarHBondContact OG-OD1 3.07Å; N234-V309 PolarHBondContact N-O 3.31Å; N234-S310 WeakPolarHBondContact O-CA 3.45Å; N234-V311 PolarHBondContact O-N 3.1Å
235	V	71.7	Confident	57.8	Low	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	109.6	164.7	-176.3	0	0	0	0	109.6	S158 V159 G160 T232 M255 V311 M331	S158-V235 PolarHBondContact O-N 3.07Å; S158-V235 VanDerWaalsContact O-N 3.08Å; V159-V235 WeakPolarHBondContact CA-O 3.31Å; G160-V235 PolarHBondContact N-O 3.15Å; G160-V235 VanDerWaalsContact N-O 3.08Å; T232-V235 HydrophobicContact CG2-CG2 3.82Å; V235-M255 HydrophobicContact CG2-SD 4.48Å; V235-V311 WeakPolarHBondContact CA-O 3.42Å; V235-V311 HydrophobicContact CG2-CB 4.45Å; V235-M331 HydrophobicContact CG1-CB 4.32Å; V235-M331 HydrophobicContact CG2-CB 4.04Å; V235-M331 HydrophobicContact CG2-SD 3.6Å; V235-M331 VanDerWaalsContact CG2-SD 3.6Å
236	G	76.9	Confident	58.3	Low	11 Å²	11	38 Å²	38	11%	0.113	21%	0.206	C	C	.	.			trans	-144.7	174.4	-167.3	0	0	0	0	0	115.5	V311 A329	G236-V311 PolarHBondContact N-O 3.44Å; G236-V311 VanDerWaalsContact N-O 3.14Å; G236-A329 WeakPolarHBondContact O-CB 3.41Å
237	V	75.8	Confident	58.9	Low	1 Å²	1	39.3 Å²	39.3	1%	0.006	21%	0.214	C	C	.	.			trans	-144.3	114.6	167.5	179.4	0	0	0	0	106.9	L161 D162 V251 L313 L327 A329	L161-V237 HydrophobicContact CD2-CB 3.67Å; L161-V237 HydrophobicContact CD2-CG2 3.97Å; D162-V237 PolarHBondContact N-O 2.95Å; V237-V251 HydrophobicContact CB-CG1 4.44Å; V237-V251 HydrophobicContact CG1-CG1 4.13Å; V237-L313 HydrophobicContact CG1-CB 4.26Å; V237-L313 HydrophobicContact CG1-CD2 4.33Å; V237-L313 HydrophobicContact CG2-CB 4.28Å; V237-L327 HydrophobicContact CG1-CB 4.19Å; V237-L327 HydrophobicContact CG1-CD1 4.33Å; V237-A329 HydrophobicContact CG2-CB 3.6Å
238	D	72.2	Confident	59.6	Low	63 Å²	63	39 Å²	39	34%	0.337	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	125.1	-168.8	-79	34.9	0	0	0	110.5	L313 H315	D238-L313 PolarHBondContact N-O 3.02Å; D238-H315 PolarHBondContact O-N 3.19Å
239	L	69.6	Low	60.3	Low	13 Å²	13	43.3 Å²	43.3	7%	0.068	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	103.2	-172.1	-80.8	163.2	0	0	0	111.2	D162 H163 T164 Y248 V251 H315 L327	D162-L239 PolarHBondContact O-N 2.95Å; H163-L239 HydrophobicContact CB-CB 4.3Å; T164-L239 PolarHBondContact N-O 3.28Å; L239-Y248 HydrophobicContact CD1-CE2 4.4Å; L239-Y248 HydrophobicContact CD2-CE2 4.39Å; L239-Y248 WeakPolarHBondContact CD2-OH 3.34Å; L239-V251 HydrophobicContact CD1-CG1 4.21Å; L239-V251 HydrophobicContact CD1-CG2 4.38Å; L239-H315 HydrophobicContact CD2-CB 4.04Å; L239-L327 HydrophobicContact CD1-CD1 4.24Å; L239-L327 HydrophobicContact CD2-CD1 3.75Å; L239-L327 HydrophobicContact CG-CD1 4.33Å
240	T	63.7	Low	61.3	Low	81 Å²	81	44.4 Å²	44.4	50%	0.497	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	109.1	-177.1	-67.9	0	0	0	0	111	H315 T316 E317	T240-H315 PolarHBondContact N-O 2.88Å; T240-T316 WeakPolarHBondContact O-CA 3.46Å; T240-E317 PolarHBondContact O-N 3.03Å
241	G	60.8	Low	62.3	Low	19 Å²	19	44.4 Å²	44.4	20%	0.196	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	169.5	-178.5	0	0	0	0	0	115.3	E317	G241-E317 WeakPolarHBondContact CA-O 3.32Å
242	K	53.3	Low	63.2	Low	173 Å²	173	45.4 Å²	45.4	75%	0.752	24%	0.243	S	C	*	.			trans	-101.7	85.5	165.4	-77.5	-171.7	176.5	-176.7	0	108.4
243	L	51.5	Low	63.9	Low	6 Å²	6	45.4 Å²	45.4	3%	0.031	24%	0.243	C	C	.	.			trans	-85.8	135.3	-169.5	-52.4	-172.4	0	0	0	111.2	S167 V246 E317	S167-L243 PolarHBondContact OG-O 3.03Å; S167-L243 VanDerWaalsContact OG-O 3.08Å; L243-V246 HydrophobicContact CB-CG2 3.99Å; L243-V246 HydrophobicContact CD1-CB 4.42Å; L243-V246 HydrophobicContact CD1-CG2 4.12Å; L243-V246 HydrophobicContact CD2-CG2 4.14Å; L243-V246 HydrophobicContact CG-CG2 4.29Å; L243-E317 HydrophobicContact CD2-CB 4.19Å; L243-E317 HydrophobicContact CD2-CG 4.26Å; L243-E317 WeakPolarHBondContact CD2-OE2 3.2Å
244	Q	46.2	Very low	64.6	Low	137 Å²	137	43.7 Å²	43.7	64%	0.64	23%	0.233	S	C	*	.	S	Bend	trans	-120.3	112.7	161.3	-72.6	-169.5	-65.7	0	0	107.6	P320 S321	Q244-P320 HydrophobicContact CB-CB 4.23Å; Q244-S321 PolarHBondContact O-N 2.97Å
245	S	49.3	Very low	65.3	Low	75 Å²	75	40.2 Å²	40.2	52%	0.524	21%	0.214	S	C	.	.	S	Bend	trans	47.4	85.7	177.9	57.4	0	0	0	0	114.2	S169	S169-S245 WeakPolarHBondContact OG-CA 3.32Å; S169-S245 PolarHBondContact OG-N 2.92Å
246	V	52.6	Low	65.3	Low	2 Å²	2	45.1 Å²	45.1	1%	0.012	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	127.3	177.4	170.9	0	0	0	0	111.2	S169 V171 L243 Y248 L322	S169-V246 PolarHBondContact O-N 3.09Å; V171-V246 PolarHBondContact N-O 3Å; L243-V246 HydrophobicContact CB-CG2 3.99Å; L243-V246 HydrophobicContact CD1-CB 4.42Å; L243-V246 HydrophobicContact CD1-CG2 4.12Å; L243-V246 HydrophobicContact CD2-CG2 4.14Å; L243-V246 HydrophobicContact CG-CG2 4.29Å; V246-Y248 HydrophobicContact CB-CE2 4.41Å; V246-Y248 HydrophobicContact CG1-CD1 4.32Å; V246-Y248 HydrophobicContact CG1-CD2 3.56Å; V246-Y248 HydrophobicContact CG1-CE1 4.08Å; V246-Y248 HydrophobicContact CG1-CE2 3.28Å; V246-Y248 HydrophobicContact CG1-CG 4.06Å; V246-L322 HydrophobicContact CG1-CB 4.15Å; V246-L322 HydrophobicContact CG1-CD1 4.22Å; V246-L322 HydrophobicContact CG2-CB 4.42Å; V246-L322 HydrophobicContact CG2-CD1 4.46Å
247	L	53.3	Low	64.9	Low	80 Å²	80	44.9 Å²	44.9	42%	0.419	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	79.1	-178.3	-159.8	104.9	0	0	0	111.3	V171 L322 V323 G324	V171-L247 HydrophobicContact CB-CD1 4.11Å; V171-L247 HydrophobicContact CG1-CD1 3.83Å; V171-L247 WeakPolarHBondContact O-CA 3.45Å; V171-L247 WeakPolarHBondContact O-CD1 3.48Å; L247-L322 PolarHBondContact N-O 3.13Å; L247-V323 HydrophobicContact CB-CG2 4.46Å; L247-V323 HydrophobicContact CD2-CG1 3.97Å; L247-G324 PolarHBondContact O-N 3.13Å
248	Y	60.5	Low	64.1	Low	6 Å²	6	46.6 Å²	46.6	2%	0.024	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	136.6	173.3	-72.7	-62.5	0	0	0	111.4	L170 G172 K173 L239 V246 V251 K325 L327	L170-Y248 HydrophobicContact CD2-CD2 3.75Å; L170-Y248 HydrophobicContact CD2-CE2 3.95Å; G172-Y248 WeakPolarHBondContact CA-O 3.23Å; K173-Y248 PolarHBondContact N-O 2.88Å; L239-Y248 HydrophobicContact CD1-CE2 4.4Å; L239-Y248 HydrophobicContact CD2-CE2 4.39Å; L239-Y248 WeakPolarHBondContact CD2-OH 3.34Å; V246-Y248 HydrophobicContact CB-CE2 4.41Å; V246-Y248 HydrophobicContact CG1-CD1 4.32Å; V246-Y248 HydrophobicContact CG1-CD2 3.56Å; V246-Y248 HydrophobicContact CG1-CE1 4.08Å; V246-Y248 HydrophobicContact CG1-CE2 3.28Å; V246-Y248 HydrophobicContact CG1-CG 4.06Å; Y248-V251 HydrophobicContact CD1-CG2 4.15Å; Y248-V251 HydrophobicContact CD2-CG2 4.15Å; Y248-V251 HydrophobicContact CG-CG2 3.86Å; Y248-K325 HydrophobicContact CD1-CB 3.81Å; Y248-K325 HydrophobicContact CE1-CB 3.88Å; Y248-K325 HydrophobicContact CE1-CD 4.48Å; Y248-L327 HydrophobicContact CD1-CD1 4.39Å; Y248-L327 HydrophobicContact CE1-CD1 3.81Å; Y248-L327 HydrophobicContact CE1-CG 4.27Å
249	E	58.7	Low	63.4	Low	90 Å²	90	43.9 Å²	43.9	42%	0.421	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	-48.7	173.3	-162.9	-163.8	-146	0	0	110.8	K325	E249-K325 PolarHBondContact N-O 3.37Å
250	N	71.3	Confident	62.2	Low	39 Å²	39	47.5 Å²	47.5	21%	0.209	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	131.8	176.6	-66.7	-92.5	0	0	0	109.8	K326 L327	N250-K326 HydrophobicContact CB-CD 4.13Å; N250-K326 HydrophobicContact CB-CG 4.17Å; N250-K326 WeakPolarHBondContact O-CA 3.17Å; N250-L327 PolarHBondContact O-N 3.2Å
251	V	73.8	Confident	61.4	Low	3 Å²	3	44.2 Å²	44.2	2%	0.018	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	126.2	163	-176.6	0	0	0	0	107.7	L161 K174 L175 Q176 V237 L239 Y248 L327	L161-V251 HydrophobicContact CD1-CG1 4.36Å; L161-V251 HydrophobicContact CD2-CG1 3.86Å; K174-V251 PolarHBondContact O-N 2.96Å; L175-V251 HydrophobicContact CD2-CB 3.78Å; L175-V251 HydrophobicContact CD2-CG2 4.02Å; Q176-V251 PolarHBondContact N-O 2.69Å; V237-V251 HydrophobicContact CB-CG1 4.44Å; V237-V251 HydrophobicContact CG1-CG1 4.13Å; L239-V251 HydrophobicContact CD1-CG1 4.21Å; L239-V251 HydrophobicContact CD1-CG2 4.38Å; Y248-V251 HydrophobicContact CD1-CG2 4.15Å; Y248-V251 HydrophobicContact CD2-CG2 4.15Å; Y248-V251 HydrophobicContact CG-CG2 3.86Å; V251-L327 HydrophobicContact CG1-CB 4.27Å; V251-L327 HydrophobicContact CG2-CB 4.43Å; V251-L327 HydrophobicContact CG2-CD1 4.24Å
252	Q	75.9	Confident	60.2	Low	37 Å²	37	47.6 Å²	47.6	17%	0.173	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	121.7	-171	-176.4	174.5	5.6	0	0	112.9	Q176 T254 L327 Q328 A329	Q176-Q252 WeakPolarHBondContact O-CA 3.39Å; Q252-T254 WeakPolarHBondContact CG-OG1 3.41Å; Q252-T254 PolarHBondContact NE2-OG1 2.89Å; Q252-L327 PolarHBondContact N-O 3.29Å; Q252-Q328 WeakPolarHBondContact O-CA 3.2Å; Q252-A329 PolarHBondContact O-N 2.99Å
253	A	75.9	Confident	59.3	Low	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	138	159.6	0	0	0	0	0	108.6	G160 L161 Q176 T178	G160-A253 WeakPolarHBondContact O-CB 3.49Å; L161-A253 HydrophobicContact CD2-CB 3.77Å; L161-A253 HydrophobicContact CG-CB 4.12Å; Q176-A253 PolarHBondContact O-N 2.99Å; T178-A253 PolarHBondContact N-O 2.99Å; T178-A253 VanDerWaalsContact N-O 3.12Å
254	T	77.4	Confident	58	Low	8 Å²	8	40.9 Å²	40.9	5%	0.049	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	118.5	179.3	-68.2	0	0	0	0	112.1	T178 Q252 R256 A329 T330 M331	T178-T254 VanDerWaalsContact O-CA 3.3Å; T178-T254 WeakPolarHBondContact O-CA 3.42Å; Q252-T254 WeakPolarHBondContact CG-OG1 3.41Å; Q252-T254 PolarHBondContact NE2-OG1 2.89Å; T254-R256 HydrophobicContact CG2-CG 4.19Å; T254-A329 PolarHBondContact N-O 2.88Å; T254-T330 WeakPolarHBondContact O-CA 2.99Å; T254-M331 PolarHBondContact O-N 3.31Å
255	M	79.9	Confident	57.1	Low	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	134.2	166.5	-167.5	177.7	78.4	0	0	109.3	T156 V159 T178 M179 R180 T232 V235 M331	T156-M255 HydrophobicContact CG2-CE 3.79Å; T156-M255 HydrophobicContact CG2-SD 3.97Å; V159-M255 HydrophobicContact CG2-CB 4.02Å; V159-M255 HydrophobicContact CG2-CE 4.39Å; V159-M255 HydrophobicContact CG2-SD 4.22Å; T178-M255 PolarHBondContact O-N 3.1Å; M179-M255 HydrophobicContact CE-CE 3.89Å; M179-M255 HydrophobicContact CG-CE 3.92Å; M179-M255 HydrophobicContact SD-CE 3.98Å; R180-M255 PolarHBondContact N-O 3.01Å; R180-M255 VanDerWaalsContact N-O 3.09Å; T232-M255 HydrophobicContact CG2-SD 4.05Å; V235-M255 HydrophobicContact CG2-SD 4.48Å; M255-M331 HydrophobicContact CG-CB 4.47Å
256	R	72.6	Confident	56	Low	103 Å²	103	34.3 Å²	34.3	39%	0.389	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	125.6	165.3	-63.9	-170.6	179.2	-159.1	-0.2	109.2	R180 T254 M331 R332 Q333	R180-R256 HydrophobicContact CB-CG 4.46Å; R180-R256 WeakPolarHBondContact O-CA 3.49Å; T254-R256 HydrophobicContact CG2-CG 4.19Å; R256-M331 PolarHBondContact N-O 2.68Å; R256-R332 HydrophobicContact CB-CG 4.45Å; R256-R332 WeakPolarHBondContact O-CA 3.31Å; R256-Q333 PolarHBondContact O-N 3Å
257	Q	68.2	Low	54.9	Low	6 Å²	6	35.7 Å²	35.7	3%	0.028	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	125	166.1	-79.5	160.7	-19.4	0	0	106.7	R180 Q181 S182 T232 Q333	R180-Q257 PolarHBondContact O-N 3.01Å; Q181-Q257 WeakPolarHBondContact CA-O 3.44Å; Q181-Q257 HydrophobicContact CG-CB 4.11Å; S182-Q257 PolarHBondContact N-O 2.77Å; T232-Q257 PolarHBondContact OG1-NE2 3.09Å; Q257-Q333 WeakPolarHBondContact CA-O 3.38Å; Q257-Q333 HydrophobicContact CG-CB 4.1Å
258	S	58.6	Low	53.6	Low	38 Å²	38	32.7 Å²	32.7	27%	0.266	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	130.1	173	51.6	0	0	0	0	109.3	S182 Q333 S334 V335	S182-S258 WeakPolarHBondContact O-CA 3.35Å; S258-Q333 PolarHBondContact N-O 3.44Å; S258-Q333 VanDerWaalsContact N-O 3.11Å; S258-S334 WeakPolarHBondContact O-CA 3.22Å; S258-V335 PolarHBondContact O-N 3Å
259	V	57.9	Low	52	Low	5 Å²	5	35 Å²	35	3%	0.03	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	120.1	170.8	168.5	0	0	0	0	106.3	F154 S182 V183 E184 F230 N261 V335 P344	F154-V259 HydrophobicContact CZ-CG2 4.27Å; S182-V259 PolarHBondContact O-N 3.23Å; V183-V259 HydrophobicContact CG1-CG1 4.46Å; V183-V259 HydrophobicContact CG2-CB 4.47Å; E184-V259 PolarHBondContact N-O 2.97Å; E184-V259 VanDerWaalsContact N-O 3.09Å; F230-V259 HydrophobicContact CE2-CG2 4.02Å; F230-V259 HydrophobicContact CZ-CG2 4.29Å; V259-N261 WeakPolarHBondContact CG1-ND2 3.37Å; V259-N261 WeakPolarHBondContact CG1-OD1 3.39Å; V259-V335 WeakPolarHBondContact CA-O 3.13Å; V259-P344 HydrophobicContact CB-CG 4.48Å; V259-P344 HydrophobicContact CG1-CG 3.29Å; V259-P344 HydrophobicContact CG2-CG 4.39Å
260	E	45.6	Very low	50.6	Low	89 Å²	89	32 Å²	32	42%	0.416	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	109.6	-178	-163.6	158.9	164.3	0	0	108.1	V335 N337	E260-V335 PolarHBondContact N-O 3Å; E260-N337 PolarHBondContact O-N 2.94Å
261	N	47.1	Very low	48.4	Very low	12 Å²	12	31 Å²	31	6%	0.064	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	103.6	-171.5	-58.3	-46.5	0	0	0	110.5	E184 N185 V259 S263 N337 P344	E184-N261 PolarHBondContact O-N 3Å; N185-N261 PolarHBondContact OD1-ND2 3.38Å; V259-N261 WeakPolarHBondContact CG1-ND2 3.37Å; V259-N261 WeakPolarHBondContact CG1-OD1 3.39Å; N261-S263 PolarHBondContact O-N 3.11Å; N261-N337 PolarHBondContact OD1-ND2 3.21Å; N261-P344 VanDerWaalsContact ND2-CD 3.28Å; N261-P344 WeakPolarHBondContact ND2-CD 3.33Å; N261-P344 WeakPolarHBondContact OD1-CD 3.07Å
262	T	33.6	Very low	46.2	Very low	91 Å²	91	33.3 Å²	33.3	56%	0.558	18%	0.179	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-93.3	77.6	171.1	-57.1	0	0	0	0	109.1	N337 S339	T262-N337 PolarHBondContact N-O 3.35Å; T262-S339 VanDerWaalsContact O-O 3.07Å
263	S	34.8	Very low	43.8	Very low	18 Å²	18	37 Å²	37	13%	0.126	21%	0.207	C	C	.	.			trans	-130.3	141.3	174.7	-175.3	0	0	0	0	110.5	N261 Q265 Q341 T342	N261-S263 PolarHBondContact O-N 3.11Å; S263-Q265 VanDerWaalsContact C-N 3.32Å; S263-Q265 PolarHBondContact O-N 2.84Å; S263-Q341 WeakPolarHBondContact OG-CA 3.2Å; S263-Q341 PolarHBondContact OG-N 2.92Å; S263-T342 PolarHBondContact OG-N 2.94Å; S263-T342 PolarHBondContact OG-OG1 2.91Å
264	T	25.4	Very low	41.7	Very low	19 Å²	19	39.6 Å²	39.6	12%	0.117	22%	0.222	C	C	.	.	S	Bend	trans	-78.9	79.6	179.2	46.8	0	0	0	0	111.9	Q66 V68 Q142	Q66-T264 HydrophobicContact CB-CG2 4.22Å; Q66-T264 HydrophobicContact CG-CG2 3.91Å; V68-T264 WeakPolarHBondContact CG2-O 3.13Å; Q142-T264 HydrophobicContact CB-CG2 4.19Å
265	Q	26.4	Very low	39.6	Very low	52 Å²	52	45.2 Å²	45.2	24%	0.243	26%	0.257	C	S	.	.			trans	72.2	137.9	164.4	-154	-135.1	-55.4	0	0	110.6	V68 S187 T188 S263	V68-Q265 VanDerWaalsContact CG2-C 3.48Å; V68-Q265 HydrophobicContact CG2-CB 3.48Å; V68-Q265 VanDerWaalsContact CG2-CB 3.48Å; V68-Q265 HydrophobicContact CG2-CG 4.01Å; V68-Q265 WeakPolarHBondContact CG2-O 3.45Å; S187-Q265 WeakPolarHBondContact OG-CG 3.19Å; T188-Q265 HydrophobicContact CG2-CG 4.09Å; T188-Q265 WeakPolarHBondContact OG1-CG 3.36Å; S263-Q265 VanDerWaalsContact C-N 3.32Å; S263-Q265 PolarHBondContact O-N 2.84Å
266	T	26.3	Very low	37.7	Very low	23 Å²	23	46.8 Å²	46.8	14%	0.141	27%	0.265	C	S	.	.			cis	-149.5	-158.2	9.5	-23.7	0	0	0	0	110.3	R227	R227-T266 PolarHBondContact NH2-O 3.01Å
267	D	28.9	Very low	36.4	Very low	31 Å²	31	43 Å²	43	17%	0.166	25%	0.253	C	S	.	.			trans	111.9	139.5	133.5	-72.7	-10.2	0	0	0	120.9	R151	R151-D267 VanDerWaalsContact CZ-CA 3.41Å; R151-D267 IonicContact CZ-OD1 3.96Å; R151-D267 VanDerWaalsContact NH1-CA 3.3Å; R151-D267 IonicContact NH1-OD1 2.77Å; R151-D267 IonicContact NH2-OD1 2.72Å; R151-D267 PolarHBondContact NH2-OD1 3.16Å
268	P	27.8	Very low	35.6	Very low	17 Å²	17	46.5 Å²	46.5	11%	0.11	27%	0.268	C	S	.	.				-82.1	-167.2	-123.3	3.8	-2	0	0	0	111.2	E73 E74 R75 P76 R151 P152	E73-P268 HydrophobicContact CB-CG 4.17Å; E73-P268 WeakPolarHBondContact O-CG 3.21Å; E74-P268 WeakPolarHBondContact O-CB 3.41Å; E74-P268 WeakPolarHBondContact O-CG 3.47Å; R75-P268 HydrophobicContact CG-CB 4.19Å; P76-P268 VanDerWaalsContact CB-C 3.41Å; R151-P268 VanDerWaalsContact CB-O 3.29Å; R151-P268 WeakPolarHBondContact CB-O 3.06Å; R151-P268 VanDerWaalsContact CD-CD 3.43Å; R151-P268 WeakPolarHBondContact CD-O 3.43Å; R151-P268 WeakPolarHBondContact CG-O 3.09Å; P152-P268 VanDerWaalsContact CD-O 3.27Å; P152-P268 WeakPolarHBondContact CD-O 3.34Å
269	M	26.9	Very low	35.9	Very low	54 Å²	54	46.2 Å²	46.2	27%	0.266	27%	0.265	S	S	.	.			cis	121.1	-4.6	-4.3	-52.1	-152.2	100.7	0	0	126.9	M1 F2 R75 P76 P192	M1-M269 PolarHBondContact N-O 3.29Å; F2-M269 HydrophobicContact CE2-CE 3.61Å; F2-M269 HydrophobicContact CZ-CE 3.56Å; R75-M269 VanDerWaalsContact C-CA 3.48Å; R75-M269 VanDerWaalsContact C-N 3.33Å; R75-M269 HydrophobicContact CB-CB 4.31Å; P76-M269 CarbonylContact C-O 3.49Å; P76-M269 HydrophobicContact CB-CB 3.56Å; P76-M269 HydrophobicContact CB-CG 4.21Å; P76-M269 VanDerWaalsContact CD-C 3.46Å; P76-M269 HydrophobicContact CG-CB 2.76Å; P76-M269 HydrophobicContact CG-CG 2.98Å; P76-M269 CarbonylContact O-C 3.55Å; P76-M269 WeakPolarHBondContact O-CA 3.4Å; P76-M269 VanDerWaalsContact O-O 3.05Å; P192-M269 HydrophobicContact CG-CB 4.32Å; P192-M269 HydrophobicContact CG-CG 3.86Å; P192-M269 HydrophobicContact CG-SD 3.29Å; P192-M269 WeakPolarHBondContact CG-SD 3.37Å
270	A	29.1	Very low	36.5	Very low	28 Å²	28	46.4 Å²	46.4	23%	0.231	27%	0.266	C	S	.	.			trans	-167.9	130.9	-174.7	0	0	0	0	0	121.4	M1 R75 P76 V77	M1-A270 HydrophobicContact CB-CB 3.45Å; M1-A270 VanDerWaalsContact CB-CB 3.45Å; M1-A270 HydrophobicContact CE-CB 4.35Å; R75-A270 HydrophobicContact CB-CB 3.81Å; R75-A270 PolarHBondContact O-N 3.37Å; R75-A270 VanDerWaalsContact O-O 3.1Å; P76-A270 PolarHBondContact O-N 2.97Å; V77-A270 WeakPolarHBondContact CG2-O 3.49Å
271	Q	25.1	Very low	38	Very low	17 Å²	17	43 Å²	43	8%	0.079	25%	0.251	C	S	.	.			trans	-106.1	149.5	174.6	-76.8	122.3	11.8	0	0	107.3	V77 H79 V153 F154 V348	V77-Q271 HydrophobicContact CB-CB 3.93Å; V77-Q271 HydrophobicContact CB-CG 3.55Å; V77-Q271 HydrophobicContact CG1-CB 3.42Å; V77-Q271 VanDerWaalsContact CG1-CB 3.42Å; V77-Q271 HydrophobicContact CG1-CG 3.5Å; V77-Q271 HydrophobicContact CG2-CB 3.78Å; V77-Q271 HydrophobicContact CG2-CG 3.46Å; V77-Q271 VanDerWaalsContact CG2-CG 3.46Å; H79-Q271 PolarHBondContact ND1-OE1 3.32Å; V153-Q271 HydrophobicContact CB-CG 4.47Å; V153-Q271 HydrophobicContact CG1-CG 4.01Å; V153-Q271 HydrophobicContact CG2-CG 4.16Å; V153-Q271 PolarHBondContact O-NE2 2.9Å; V153-Q271 VanDerWaalsContact O-NE2 3.09Å; F154-Q271 PolarHBondContact O-NE2 3.34Å; F154-Q271 VanDerWaalsContact O-NE2 3.12Å; Q271-V348 HydrophobicContact CG-CG2 4.28Å; Q271-V348 VanDerWaalsContact NE2-CG2 3.3Å
272	V	26	Very low	39.6	Very low	51 Å²	51	45.2 Å²	45.2	31%	0.309	26%	0.262	S	S	.	.			trans	-125.6	159.8	143.8	178.4	0	0	0	0	106.1	M1 T274	M1-V272 HydrophobicContact CE-CG2 4.02Å; V272-T274 PolarHBondContact O-N 3.06Å; V272-T274 PolarHBondContact O-OG1 3.19Å
273	P	27.5	Very low	41.7	Very low	116 Å²	116	41.4 Å²	41.4	75%	0.753	24%	0.239	S	C	*	.			trans	-62.7	100.8	-177.8	-27.4	37.5	0	0	0	113.5
274	T	31.3	Very low	43.9	Very low	53 Å²	53	40.6 Å²	40.6	33%	0.325	23%	0.233	S	C	.	.			trans	-88.9	123.7	-175.8	-57.1	0	0	0	0	111.6	L200 V272 L276	L200-T274 HydrophobicContact CB-CG2 4.16Å; L200-T274 HydrophobicContact CD1-CG2 3.46Å; L200-T274 VanDerWaalsContact CD1-CG2 3.46Å; L200-T274 HydrophobicContact CG-CG2 4.41Å; V272-T274 PolarHBondContact O-N 3.06Å; V272-T274 PolarHBondContact O-OG1 3.19Å; T274-L276 HydrophobicContact CG2-CB 4.38Å; T274-L276 HydrophobicContact CG2-CD2 4.02Å; T274-L276 HydrophobicContact CG2-CG 3.78Å; T274-L276 PolarHBondContact O-N 3.09Å
275	V	32.8	Very low	46.5	Very low	127 Å²	127	39.9 Å²	39.9	77%	0.77	23%	0.229	S	C	*	.			trans	-82.5	99.9	154	176.8	0	0	0	0	105.7	P277	V275-P277 WeakPolarHBondContact O-CD 3.38Å
276	L	40.8	Very low	48.9	Very low	32 Å²	32	37.4 Å²	37.4	17%	0.168	22%	0.217	C	C	.	.			trans	-64.1	119.6	-176.3	-95.9	168.9	0	0	0	109	T274 T350 P353	T274-L276 HydrophobicContact CG2-CB 4.38Å; T274-L276 HydrophobicContact CG2-CD2 4.02Å; T274-L276 HydrophobicContact CG2-CG 3.78Å; T274-L276 PolarHBondContact O-N 3.09Å; L276-T350 HydrophobicContact CB-CG2 3.82Å; L276-T350 HydrophobicContact CD1-CG2 3.6Å; L276-T350 HydrophobicContact CG-CG2 4.17Å; L276-P353 HydrophobicContact CB-CG 4.25Å
277	P	43.5	Very low	51.4	Low	24 Å²	24	37 Å²	37	16%	0.156	22%	0.215	C	C	.	.			trans	-87.1	155.2	-170.2	35.3	-34.1	0	0	0	110.9	P201 K202 V275 T279 P353	P201-P277 WeakPolarHBondContact O-CG 3.43Å; K202-P277 HydrophobicContact CB-CB 4.07Å; K202-P277 HydrophobicContact CG-CB 4.44Å; V275-P277 WeakPolarHBondContact O-CD 3.38Å; P277-T279 PolarHBondContact O-N 3.25Å; P277-P353 WeakPolarHBondContact O-CB 3.27Å
278	K	53.2	Low	53.6	Low	79 Å²	79	35.7 Å²	35.7	34%	0.343	21%	0.209	S	C	.	.			trans	-61.8	97.8	-177.2	-168.5	-138.3	171.1	-167.3	0	112	K202 T280 K354 T356	K202-K278 WeakPolarHBondContact CE-O 3.5Å; K202-K278 VanDerWaalsContact CG-O 3.22Å; K202-K278 WeakPolarHBondContact CG-O 3.41Å; K278-T280 HydrophobicContact CD-CG2 3.64Å; K278-T280 HydrophobicContact CG-CG2 4.46Å; K278-K354 WeakPolarHBondContact CE-O 3.26Å; K278-K354 HydrophobicContact CG-CB 4.39Å; K278-K354 WeakPolarHBondContact CG-O 3.31Å; K278-T356 VanDerWaalsContact NZ-CG2 3.3Å; K278-T356 PolarHBondContact NZ-OG1 3.07Å
279	T	64	Low	56	Low	33 Å²	33	36.2 Å²	36.2	20%	0.202	21%	0.212	C	C	.	.			trans	-63.6	144.4	167.8	-52.5	0	0	0	0	110.3	F205 P277 F281	F205-T279 HydrophobicContact CD2-CG2 4.24Å; F205-T279 HydrophobicContact CE2-CG2 4.29Å; P277-T279 PolarHBondContact O-N 3.25Å; T279-F281 HydrophobicContact CG2-CD2 4.07Å; T279-F281 HydrophobicContact CG2-CE2 3.47Å; T279-F281 VanDerWaalsContact CG2-CE2 3.47Å; T279-F281 HydrophobicContact CG2-CZ 3.77Å
280	T	70.4	Confident	58.3	Low	8 Å²	8	33.8 Å²	33.8	5%	0.049	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	136.5	172.8	52	0	0	0	0	109	K202 T204 F205 K278 T356	K202-T280 PolarHBondContact NZ-OG1 3.13Å; T204-T280 WeakPolarHBondContact CG2-OG1 3.47Å; F205-T280 PolarHBondContact N-O 2.96Å; K278-T280 HydrophobicContact CD-CG2 3.64Å; K278-T280 HydrophobicContact CG-CG2 4.46Å; T280-T356 WeakPolarHBondContact CG2-OG1 3.13Å
281	F	77	Confident	60.6	Low	19 Å²	19	35.8 Å²	35.8	8%	0.083	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	115.9	174.9	-62.9	-87.6	0	0	0	108	F205 V208 T279 V284 T355 T356 F357 D358	F205-F281 HydrophobicContact CB-CD1 3.66Å; F205-F281 HydrophobicContact CB-CE1 4.04Å; F205-F281 AromaticContact CD2-CD1 3.74Å; F205-F281 HydrophobicContact CD2-CD1 3.74Å; F205-F281 AromaticContact CD2-CE1 3.29Å; F205-F281 HydrophobicContact CD2-CE1 3.29Å; F205-F281 AromaticContact CD2-CZ 3.87Å; F205-F281 HydrophobicContact CD2-CZ 3.87Å; F205-F281 AromaticContact CE2-CE1 3.82Å; F205-F281 HydrophobicContact CE2-CE1 3.82Å; F205-F281 HydrophobicContact CE2-CZ 4.09Å; F205-F281 AromaticContact CG-CD1 3.96Å; F205-F281 HydrophobicContact CG-CD1 3.96Å; F205-F281 AromaticContact CG-CE1 3.8Å; F205-F281 HydrophobicContact CG-CE1 3.8Å; F205-F281 VanDerWaalsContact O-CA 3.29Å; F205-F281 WeakPolarHBondContact O-CA 3.43Å; V208-F281 HydrophobicContact CG2-CD1 3.9Å; V208-F281 HydrophobicContact CG2-CE1 4.19Å; T279-F281 HydrophobicContact CG2-CD2 4.07Å; T279-F281 HydrophobicContact CG2-CE2 3.47Å; T279-F281 VanDerWaalsContact CG2-CE2 3.47Å; T279-F281 HydrophobicContact CG2-CZ 3.77Å; F281-V284 HydrophobicContact CB-CG2 3.67Å; F281-V284 HydrophobicContact CD1-CG2 4.07Å; F281-V284 HydrophobicContact CG-CG2 4.06Å; F281-T355 HydrophobicContact CD2-CG2 4.32Å; F281-T355 HydrophobicContact CE2-CG2 4.37Å; F281-T356 PolarHBondContact N-O 3.3Å; F281-F357 HydrophobicContact CB-CD1 3.67Å; F281-F357 HydrophobicContact CB-CE1 4.04Å; F281-F357 AromaticContact CD2-CD1 3.76Å; F281-F357 HydrophobicContact CD2-CD1 3.76Å; F281-F357 AromaticContact CD2-CE1 3.29Å; F281-F357 HydrophobicContact CD2-CE1 3.29Å; F281-F357 AromaticContact CD2-CZ 3.87Å; F281-F357 HydrophobicContact CD2-CZ 3.87Å; F281-F357 AromaticContact CE2-CE1 3.83Å; F281-F357 HydrophobicContact CE2-CE1 3.83Å; F281-F357 HydrophobicContact CE2-CZ 4.1Å; F281-F357 AromaticContact CG-CD1 3.96Å; F281-F357 HydrophobicContact CG-CD1 3.96Å; F281-F357 AromaticContact CG-CE1 3.79Å; F281-F357 HydrophobicContact CG-CE1 3.79Å; F281-F357 VanDerWaalsContact O-CA 3.28Å; F281-F357 WeakPolarHBondContact O-CA 3.34Å; F281-D358 PolarHBondContact O-N 2.97Å
282	D	80.5	Confident	62.9	Low	57 Å²	57	35.7 Å²	35.7	31%	0.305	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-40.7	-174.5	-58	17.8	0	0	0	108.9	F205 D206 D358 V359	F205-D282 PolarHBondContact O-N 3.3Å; D206-D282 WeakPolarHBondContact O-CB 3.38Å; D282-D358 WeakPolarHBondContact O-CB 3.3Å; D282-V359 PolarHBondContact O-N 2.89Å
283	V	78.4	Confident	64.9	Low	11 Å²	11	35.5 Å²	35.5	7%	0.067	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	129.7	168.8	-174.9	0	0	0	0	112.5	D206 V207 V208 V359 V1090	D206-V283 PolarHBondContact O-N 3.01Å; V207-V283 CarbonylContact C-O 3.57Å; V207-V283 WeakPolarHBondContact CA-O 3.49Å; V207-V283 HydrophobicContact CG1-CB 4.49Å; V207-V283 HydrophobicContact CG2-CB 4.4Å; V208-V283 PolarHBondContact N-O 3.06Å; V283-V359 CarbonylContact C-O 3.56Å; V283-V359 WeakPolarHBondContact CA-O 3.32Å; V283-V359 HydrophobicContact CG1-CB 4.44Å; V283-V359 HydrophobicContact CG2-CB 4.36Å; V283-V1090 HydrophobicContact CG1-CG1 4.43Å; V283-V1090 HydrophobicContact CG2-CG2 3.84Å
284	V	81.5	Confident	66.7	Low	2 Å²	2	32.7 Å²	32.7	1%	0.012	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	125.2	171.6	-175	0	0	0	0	110.6	V208 I223 F281 F357 V359 V360 T361	V208-V284 CarbonylContact O-C 3.56Å; V208-V284 WeakPolarHBondContact O-CA 3.42Å; I223-V284 HydrophobicContact CD1-CG1 4.35Å; I223-V284 HydrophobicContact CG2-CG1 4.19Å; F281-V284 HydrophobicContact CB-CG2 3.67Å; F281-V284 HydrophobicContact CD1-CG2 4.07Å; F281-V284 HydrophobicContact CG-CG2 4.06Å; V284-F357 HydrophobicContact CG2-CD1 3.95Å; V284-F357 HydrophobicContact CG2-CE1 4.25Å; V284-V359 PolarHBondContact N-O 3.25Å; V284-V360 CarbonylContact O-C 3.51Å; V284-V360 WeakPolarHBondContact O-CA 3.45Å; V284-T361 PolarHBondContact O-N 2.95Å
285	T	78.5	Confident	68.3	Low	4 Å²	4	30.5 Å²	30.5	3%	0.025	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	128.7	179.4	-60.9	0	0	0	0	112.4	V208 T209 Q210 T361 T1168	V208-T285 PolarHBondContact O-N 3.26Å; T209-T285 CarbonylContact C-O 3.5Å; T209-T285 WeakPolarHBondContact CA-O 3.35Å; Q210-T285 PolarHBondContact N-O 2.92Å; T285-T361 CarbonylContact C-O 3.59Å; T285-T361 WeakPolarHBondContact CA-O 3.26Å; T285-T1168 HydrophobicContact CG2-CG2 4.36Å
286	Q	78.2	Confident	69.8	Low	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	127.4	172	-166.8	179.7	57.8	0	0	110.5	Q210 I223 T298 I299 T361 Q362 S363	Q210-Q286 WeakPolarHBondContact O-CA 3.35Å; I223-Q286 HydrophobicContact CD1-CB 3.7Å; I223-Q286 HydrophobicContact CD1-CG 3.9Å; Q286-T298 PolarHBondContact NE2-O 2.99Å; Q286-I299 HydrophobicContact CB-CD1 3.76Å; Q286-I299 HydrophobicContact CB-CG1 4.45Å; Q286-T361 PolarHBondContact N-O 2.91Å; Q286-Q362 HydrophobicContact CB-CG 4.46Å; Q286-S363 PolarHBondContact O-N 3.37Å
287	S	77.4	Confident	70.7	Confident	15 Å²	15	24.4 Å²	24.4	11%	0.105	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	95	-179.5	165.7	0	0	0	0	112.3	Q210 S211 G212 S363 S1170	Q210-S287 PolarHBondContact O-N 2.83Å; S211-S287 VanDerWaalsContact CA-O 3.29Å; S211-S287 WeakPolarHBondContact CA-O 2.93Å; G212-S287 PolarHBondContact N-O 2.93Å; S287-S363 VanDerWaalsContact CA-O 3.31Å; S287-S363 WeakPolarHBondContact CA-O 3.27Å; S287-S1170 WeakPolarHBondContact OG-CB 3.44Å; S287-S1170 PolarHBondContact OG-OG 2.65Å
288	G	76.6	Confident	71.3	Confident	3 Å²	3	24.3 Å²	24.3	3%	0.031	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	151.6	-176.3	0	0	0	0	0	116	G212 G364 T365	G212-G288 CarbonylContact O-C 3.29Å; G212-G288 WeakPolarHBondContact O-CA 3.48Å; G288-G364 CarbonylContact O-C 3.53Å; G288-G364 WeakPolarHBondContact O-CA 2.79Å; G288-T365 PolarHBondContact O-N 3.04Å
289	T	77.1	Confident	71.5	Confident	28 Å²	28	20.7 Å²	20.7	17%	0.172	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	121	169	-64.2	0	0	0	0	109.4	G212 T213 V214 T365 T1172	G212-T289 PolarHBondContact O-N 3Å; T213-T289 CarbonylContact C-O 3.56Å; T213-T289 VanDerWaalsContact CA-O 3.3Å; T213-T289 WeakPolarHBondContact CA-O 3.25Å; V214-T289 PolarHBondContact N-O 3.39Å; T289-T365 CarbonylContact C-O 3.58Å; T289-T365 VanDerWaalsContact CA-O 3.29Å; T289-T365 WeakPolarHBondContact CA-O 3.32Å; T289-T1172 HydrophobicContact CG2-CG2 4.49Å; T289-T1172 PolarHBondContact OG1-OG1 3.1Å
290	V	75.5	Confident	71	Confident	3 Å²	3	20.1 Å²	20.1	2%	0.018	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	120.9	-175.7	-174.7	0	0	0	0	109.7	V214 S219 T365 V366 H367	V214-V290 HydrophobicContact CB-CG1 4.47Å; V214-V290 WeakPolarHBondContact O-CA 3.34Å; S219-V290 WeakPolarHBondContact OG-CG1 3.29Å; V290-T365 PolarHBondContact N-O 2.91Å; V290-V366 HydrophobicContact CB-CG2 4.49Å; V290-V366 WeakPolarHBondContact O-CA 3.29Å; V290-H367 PolarHBondContact O-N 2.95Å
291	H	78	Confident	69.8	Low	70 Å²	70	21 Å²	21	32%	0.324	12%	0.121	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	106.2	-178.5	-175.5	-80.6	0	0	0	111	V214 H215 C216 H367	V214-H291 PolarHBondContact O-N 3.16Å; H215-H291 WeakPolarHBondContact CA-O 3.36Å; H215-H291 AromaticContact CD2-CG 3.72Å; H215-H291 AromaticContact CD2-ND1 3.18Å; H215-H291 PolarHBondContact CD2-ND1 3.28Å; H215-H291 AromaticContact NE2-CE1 3.75Å; H215-H291 AromaticContact NE2-ND1 3.19Å; H215-H291 PolarHBondContact NE2-ND1 2.93Å; H215-H291 VanDerWaalsContact NE2-ND1 3.19Å; C216-H291 PolarHBondContact N-O 3.31Å; C216-H291 VanDerWaalsContact N-O 3.1Å; H291-H367 WeakPolarHBondContact CA-O 3.46Å; H291-H367 AromaticContact CD2-CG 3.75Å; H291-H367 AromaticContact CD2-ND1 3.17Å; H291-H367 PolarHBondContact CD2-ND1 3.29Å; H291-H367 AromaticContact NE2-CE1 3.73Å; H291-H367 AromaticContact NE2-ND1 3.17Å; H291-H367 PolarHBondContact NE2-ND1 3.42Å; H291-H367 VanDerWaalsContact NE2-ND1 3.17Å
292	C	72.7	Confident	68.2	Low	14 Å²	14	22 Å²	22	10%	0.095	13%	0.126	C	C	.	.	S	Bend	trans	-157.7	-170.8	-169.6	63.9	0	0	0	0	113.9	C216 S219 Q294 S295 H367 C368	C216-C292 WeakPolarHBondContact O-CA 3.23Å; C216-C292 WeakPolarHBondContact O-CB 3.27Å; S219-C292 PolarHBondContact OG-SG 2.97Å; C292-Q294 PolarHBondContact SG-O 3.46Å; C292-S295 WeakPolarHBondContact SG-CB 3.38Å; C292-S295 PolarHBondContact SG-OG 3.24Å; C292-H367 PolarHBondContact N-O 2.87Å; C292-H367 VanDerWaalsContact N-O 3.11Å; C292-C368 WeakPolarHBondContact O-CA 3.46Å; C292-C368 VanDerWaalsContact O-CB 3.31Å; C292-C368 WeakPolarHBondContact O-CB 3.28Å
293	A	68.1	Low	66.9	Low	47 Å²	47	19.5 Å²	19.5	39%	0.388	11%	0.112	S	C	.	.	S	Bend	trans	-84.8	-44.8	164.9	0	0	0	0	0	111.2	A217 A369 Q370	A217-A293 WeakPolarHBondContact O-CA 3.37Å; A217-A293 VanDerWaalsContact O-CB 3.3Å; A217-A293 WeakPolarHBondContact O-CB 3.16Å; A217-A293 PolarHBondContact O-N 3.32Å; A293-A369 WeakPolarHBondContact O-CA 3.48Å; A293-A369 VanDerWaalsContact O-CB 3.32Å; A293-A369 WeakPolarHBondContact O-CB 3.4Å; A293-A369 PolarHBondContact O-N 3.04Å; A293-Q370 PolarHBondContact O-N 3.35Å; A293-Q370 VanDerWaalsContact O-N 3.1Å
294	Q	65.8	Low	65.4	Low	57 Å²	57	19.1 Å²	19.1	27%	0.266	11%	0.11	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	133.2	-178.4	-62.2	177.4	-52.8	0	0	111	A217 Q218 S219 C292 Q370	A217-Q294 PolarHBondContact O-N 3Å; Q218-Q294 WeakPolarHBondContact CA-O 3.12Å; Q218-Q294 HydrophobicContact CG-CB 4.48Å; S219-Q294 PolarHBondContact N-O 2.96Å; S219-Q294 VanDerWaalsContact N-O 3.13Å; C292-Q294 PolarHBondContact SG-O 3.46Å; Q294-Q370 WeakPolarHBondContact CA-O 3.36Å; Q294-Q370 HydrophobicContact CG-CB 4.45Å
295	S	64	Low	63.9	Low	7 Å²	7	19.6 Å²	19.6	5%	0.049	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	144.7	-176	27.5	0	0	0	0	114.3	S219 C292 V366 C368 Q370 S371 V372	S219-S295 WeakPolarHBondContact O-CA 3.28Å; C292-S295 WeakPolarHBondContact SG-CB 3.38Å; C292-S295 PolarHBondContact SG-OG 3.24Å; S295-V366 WeakPolarHBondContact OG-CG1 3.28Å; S295-C368 PolarHBondContact OG-SG 3.22Å; S295-C368 VanDerWaalsContact OG-SG 3.41Å; S295-Q370 PolarHBondContact N-O 2.85Å; S295-Q370 VanDerWaalsContact N-O 3.09Å; S295-S371 WeakPolarHBondContact O-CA 3.08Å; S295-V372 PolarHBondContact O-N 3.1Å
296	V	64	Low	62.9	Low	31 Å²	31	19.5 Å²	19.5	19%	0.188	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	135.4	168.3	-174.7	0	0	0	0	109	S219 V220 Q221 T298 V372	S219-V296 PolarHBondContact O-N 3.43Å; S219-V296 VanDerWaalsContact O-N 3.12Å; V220-V296 WeakPolarHBondContact CA-O 3.49Å; V220-V296 HydrophobicContact CG1-CB 4.12Å; V220-V296 HydrophobicContact CG1-CG1 4.47Å; V220-V296 HydrophobicContact CG2-CB 3.99Å; V220-V296 HydrophobicContact CG2-CG2 4.31Å; Q221-V296 PolarHBondContact N-O 3.39Å; V296-T298 WeakPolarHBondContact CG1-OG1 3.39Å; V296-V372 WeakPolarHBondContact CA-O 3.15Å; V296-V372 HydrophobicContact CG1-CB 4.26Å; V296-V372 HydrophobicContact CG1-CG1 4.15Å; V296-V372 HydrophobicContact CG2-CB 4.27Å
297	Q	60	Low	62	Low	1 Å²	1	21.6 Å²	21.6	1%	0.005	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	112.7	174.6	-174.5	178	60.4	0	0	109.2	Q362 V372 Q373 T374	Q297-Q362 PolarHBondContact O-NE2 3.33Å; Q297-V372 PolarHBondContact N-O 2.73Å; Q297-Q373 WeakPolarHBondContact O-CA 3.26Å; Q297-T374 PolarHBondContact O-N 2.97Å
298	T	55.6	Low	61.3	Low	21 Å²	21	20.9 Å²	20.9	13%	0.129	12%	0.117	C	C	.	.			trans	-136.2	158.6	-167.6	-50.1	0	0	0	0	112.1	Q221 T222 Q286 V296 T374	Q221-T298 PolarHBondContact O-N 3.39Å; Q221-T298 VanDerWaalsContact O-N 3.17Å; T222-T298 WeakPolarHBondContact CA-O 3.49Å; Q286-T298 PolarHBondContact NE2-O 2.99Å; V296-T298 WeakPolarHBondContact CG1-OG1 3.39Å; T298-T374 WeakPolarHBondContact CA-O 3.25Å
299	I	58.1	Low	60.7	Low	4 Å²	4	23.3 Å²	23.3	2%	0.021	13%	0.131	C	C	.	.			trans	-146.6	140.9	178.7	-60.5	177.7	0	0	0	107.7	Q286 V360 Q362 I375 P376	Q286-I299 HydrophobicContact CB-CD1 3.76Å; Q286-I299 HydrophobicContact CB-CG1 4.45Å; I299-V360 HydrophobicContact CG2-CG1 4.12Å; I299-Q362 HydrophobicContact CD1-CB 3.74Å; I299-Q362 HydrophobicContact CD1-CG 3.89Å; I299-I375 CarbonylContact O-C 2.8Å; I299-P376 WeakPolarHBondContact O-CA 3.31Å; I299-P376 VanDerWaalsContact O-CB 3.26Å; I299-P376 WeakPolarHBondContact O-CB 3.25Å; I299-P376 VanDerWaalsContact O-CD 3.25Å; I299-P376 WeakPolarHBondContact O-CD 3.11Å; I299-P376 VanDerWaalsContact O-N 3.12Å
300	P	53.5	Low	60.1	Low	21 Å²	21	23.7 Å²	23.7	14%	0.136	14%	0.135	C	C	.	.				-57.6	-169.9	-94.5	37.4	-41.6	0	0	0	116.2	I223 P224 F357 P376	I223-P300 WeakPolarHBondContact O-CA 3.38Å; I223-P300 WeakPolarHBondContact O-CB 3.2Å; P224-P300 WeakPolarHBondContact O-CB 3.29Å; P300-F357 HydrophobicContact CG-CZ 4.17Å; P300-P376 HydrophobicContact CG-CB 3.92Å; P300-P376 HydrophobicContact CG-CG 4.44Å; P300-P376 VanDerWaalsContact O-CA 3.24Å; P300-P376 WeakPolarHBondContact O-CA 3.27Å; P300-P376 WeakPolarHBondContact O-CB 3.47Å
301	E	45.9	Very low	60	Low	25 Å²	25	23.6 Å²	23.6	12%	0.117	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	137.6	179.7	-162.1	178.5	-159.8	0	0	112.5	E226 R303 E377 R379	E226-E301 PolarHBondContact N-O 2.76Å; E226-E301 VanDerWaalsContact N-O 3.07Å; E301-R303 HydrophobicContact CG-CG 4.14Å; E301-R303 IonicContact OE2-CZ 3.73Å; E301-R303 IonicContact OE2-NE 3.55Å; E301-R303 PolarHBondContact OE2-NE 2.79Å; E301-R303 IonicContact OE2-NH2 3.74Å; E301-R303 PolarHBondContact OE2-NH2 3.31Å; E301-E377 HydrophobicContact CG-CB 4.47Å; E301-R379 HydrophobicContact CG-CG 4.5Å; E301-R379 IonicContact OE1-CZ 2.96Å; E301-R379 IonicContact OE1-NE 3.71Å; E301-R379 PolarHBondContact OE1-NE 3.37Å; E301-R379 IonicContact OE1-NH2 3.13Å; E301-R379 PolarHBondContact OE1-NH2 3.16Å; E301-R379 IonicContact OE2-CZ 2.68Å; E301-R379 IonicContact OE2-NE 3.46Å; E301-R379 IonicContact OE2-NH2 3.3Å; E301-R379 PolarHBondContact OE2-NH2 2.87Å
302	E	43.8	Very low	59.8	Low	42 Å²	42	21 Å²	21	20%	0.196	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	141.4	174.9	-174.9	174.3	166.9	0	0	110.7	E226 E377 R379	E226-E302 WeakPolarHBondContact O-CA 3.17Å; E302-E377 PolarHBondContact N-O 3.45Å; E302-R379 WeakPolarHBondContact O-CB 3.39Å; E302-R379 WeakPolarHBondContact O-CG 3.14Å; E302-R379 PolarHBondContact O-N 3.49Å; E302-R379 VanDerWaalsContact O-N 3.1Å
303	R	53.3	Low	60.1	Low	4 Å²	4	20.4 Å²	20.4	2%	0.015	12%	0.122	C	C	.	.			trans	-138.4	168.8	-158.9	-47.5	-170.3	173.6	146	-1.9	115.8	E225 E226 P228 E301 V305 T342 D343	E225-R303 IonicContact OE1-CZ 2.68Å; E225-R303 IonicContact OE1-NH1 2.74Å; E225-R303 IonicContact OE1-NH2 2.72Å; E225-R303 PolarHBondContact OE1-NH2 2.96Å; E225-R303 IonicContact OE2-CZ 3.78Å; E225-R303 VanDerWaalsContact OE2-CZ 3.3Å; E225-R303 IonicContact OE2-NH1 3.26Å; E225-R303 PolarHBondContact OE2-NH1 2.96Å; E225-R303 IonicContact OE2-NH2 3.04Å; E225-R303 PolarHBondContact OE2-NH2 2.9Å; E225-R303 VanDerWaalsContact OE2-NH2 3.1Å; E226-R303 WeakPolarHBondContact O-CG 3.39Å; E226-R303 PolarHBondContact O-N 3.05Å; P228-R303 VanDerWaalsContact CA-C 3.49Å; P228-R303 WeakPolarHBondContact CA-O 3.34Å; E301-R303 HydrophobicContact CG-CG 4.14Å; E301-R303 IonicContact OE2-CZ 3.73Å; E301-R303 IonicContact OE2-NE 3.55Å; E301-R303 PolarHBondContact OE2-NE 2.79Å; E301-R303 IonicContact OE2-NH2 3.74Å; E301-R303 PolarHBondContact OE2-NH2 3.31Å; R303-V305 WeakPolarHBondContact O-CG2 3.02Å; R303-V305 PolarHBondContact O-N 3.2Å; R303-T342 PolarHBondContact NH1-O 3.29Å; R303-D343 WeakPolarHBondContact CD-OD2 3.35Å; R303-D343 IonicContact CZ-OD2 2.67Å; R303-D343 IonicContact NE-OD2 2.94Å; R303-D343 IonicContact NH1-OD2 3.9Å; R303-D343 PolarHBondContact NH1-OD2 3.06Å
304	P	45.8	Very low	60.4	Low	3 Å²	3	21.5 Å²	21.5	2%	0.019	12%	0.121	C	C	.	.			trans	-51.7	104.9	-158.5	-23.9	24.9	0	0	0	124.2	P228 V229 F306 P380 P420	P228-P304 CarbonylContact C-O 3.45Å; P228-P304 WeakPolarHBondContact CA-O 3.49Å; P228-P304 VanDerWaalsContact CB-C 3.47Å; P228-P304 HydrophobicContact CB-CB 3.66Å; P228-P304 HydrophobicContact CB-CG 4.06Å; P228-P304 WeakPolarHBondContact CB-O 3.32Å; V229-P304 PolarHBondContact N-O 3.16Å; P304-F306 HydrophobicContact CB-CD2 4.13Å; P304-F306 HydrophobicContact CB-CE2 3.73Å; P304-F306 HydrophobicContact CB-CZ 4.46Å; P304-F306 VanDerWaalsContact O-CD2 3.24Å; P304-F306 WeakPolarHBondContact O-CD2 2.86Å; P304-F306 PolarHBondContact O-N 3.31Å; P304-P380 CarbonylContact C-O 3.57Å; P304-P380 WeakPolarHBondContact CA-O 3.47Å; P304-P380 HydrophobicContact CB-CG 3.6Å; P304-P380 HydrophobicContact CG-CG 3.68Å; P304-P420 HydrophobicContact CG-CB 4.45Å; P304-P420 HydrophobicContact CG-CG 3.7Å
305	V	50.8	Low	60.7	Low	11 Å²	11	18.9 Å²	18.9	7%	0.067	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	70.6	-174.4	176.3	0	0	0	0	113.7	V229 R303 Q347 P380 V381 F382 V424	V229-V305 HydrophobicContact CB-CB 3.88Å; V229-V305 HydrophobicContact CB-CG1 3.93Å; V229-V305 HydrophobicContact CB-CG2 3.62Å; V229-V305 HydrophobicContact CG2-CB 4.12Å; V229-V305 HydrophobicContact CG2-CG1 4.46Å; V229-V305 HydrophobicContact CG2-CG2 3.28Å; V229-V305 CarbonylContact O-C 2.72Å; V229-V305 VanDerWaalsContact O-CA 3.22Å; V229-V305 WeakPolarHBondContact O-CA 3.38Å; R303-V305 WeakPolarHBondContact O-CG2 3.02Å; R303-V305 PolarHBondContact O-N 3.2Å; V305-Q347 HydrophobicContact CG1-CG 4.3Å; V305-Q347 PolarHBondContact O-NE2 3.06Å; V305-Q347 VanDerWaalsContact O-NE2 3.13Å; V305-P380 PolarHBondContact N-O 2.97Å; V305-V381 HydrophobicContact CB-CB 4.15Å; V305-V381 HydrophobicContact CB-CG1 3.44Å; V305-V381 VanDerWaalsContact CB-CG1 3.44Å; V305-V381 HydrophobicContact CG1-CG1 3.46Å; V305-V381 VanDerWaalsContact CG1-CG1 3.46Å; V305-V381 HydrophobicContact CG2-CG1 4.29Å; V305-V381 CarbonylContact O-C 3.39Å; V305-V381 VanDerWaalsContact O-C 3.29Å; V305-V381 VanDerWaalsContact O-CA 3.3Å; V305-V381 WeakPolarHBondContact O-CA 3.18Å; V305-F382 PolarHBondContact O-N 2.95Å; V305-V424 HydrophobicContact CG1-CG1 4.03Å
306	F	56	Low	61	Low	2 Å²	2	20.5 Å²	20.5	1%	0.009	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	121.9	-178.3	-56.1	-110.6	0	0	0	118.2	V229 F230 H231 P304 V335 Q347 F382 Q409 V411	V229-F306 PolarHBondContact O-N 3.12Å; F230-F306 CarbonylContact C-O 3.53Å; F230-F306 WeakPolarHBondContact CA-O 3.42Å; F230-F306 HydrophobicContact CD1-CB 3.82Å; F230-F306 HydrophobicContact CD1-CD1 4.48Å; F230-F306 AromaticContact CD1-CD2 3.45Å; F230-F306 HydrophobicContact CD1-CD2 3.45Å; F230-F306 VanDerWaalsContact CD1-CD2 3.45Å; F230-F306 AromaticContact CD1-CE2 4Å; F230-F306 HydrophobicContact CD1-CE2 4Å; F230-F306 AromaticContact CD1-CG 3.75Å; F230-F306 HydrophobicContact CD1-CG 3.75Å; F230-F306 HydrophobicContact CE1-CD1 4.47Å; F230-F306 AromaticContact CE1-CD2 3.44Å; F230-F306 HydrophobicContact CE1-CD2 3.44Å; F230-F306 VanDerWaalsContact CE1-CD2 3.44Å; F230-F306 HydrophobicContact CE1-CE1 4.49Å; F230-F306 AromaticContact CE1-CE2 3.46Å; F230-F306 HydrophobicContact CE1-CE2 3.46Å; F230-F306 VanDerWaalsContact CE1-CE2 3.46Å; F230-F306 AromaticContact CE1-CG 3.99Å; F230-F306 HydrophobicContact CE1-CG 3.99Å; F230-F306 HydrophobicContact CE1-CZ 4.01Å; F230-F306 HydrophobicContact CG-CD2 4.4Å; F230-F306 HydrophobicContact CZ-CD2 4.39Å; F230-F306 HydrophobicContact CZ-CE2 4.18Å; H231-F306 PolarHBondContact N-O 3.22Å; P304-F306 HydrophobicContact CB-CD2 4.13Å; P304-F306 HydrophobicContact CB-CE2 3.73Å; P304-F306 HydrophobicContact CB-CZ 4.46Å; P304-F306 VanDerWaalsContact O-CD2 3.24Å; P304-F306 WeakPolarHBondContact O-CD2 2.86Å; P304-F306 PolarHBondContact O-N 3.31Å; F306-V335 HydrophobicContact CE2-CG2 3.92Å; F306-V335 HydrophobicContact CZ-CG2 3.73Å; F306-Q347 VanDerWaalsContact C-OE1 3.3Å; F306-Q347 PolarHBondContact O-OE1 3.32Å; F306-F382 VanDerWaalsContact CA-CB 3.45Å; F306-F382 HydrophobicContact CB-CB 3.79Å; F306-F382 HydrophobicContact CD1-CB 3.54Å; F306-F382 AromaticContact CD1-CD2 3.32Å; F306-F382 HydrophobicContact CD1-CD2 3.32Å; F306-F382 HydrophobicContact CD1-CE2 4.16Å; F306-F382 AromaticContact CD1-CG 3.56Å; F306-F382 HydrophobicContact CD1-CG 3.56Å; F306-F382 HydrophobicContact CE1-CB 4.39Å; F306-F382 AromaticContact CE1-CD2 3.28Å; F306-F382 HydrophobicContact CE1-CD2 3.28Å; F306-F382 AromaticContact CE1-CE2 3.72Å; F306-F382 HydrophobicContact CE1-CE2 3.72Å; F306-F382 AromaticContact CE1-CG 4Å; F306-F382 HydrophobicContact CE1-CG 4Å; F306-F382 HydrophobicContact CG-CB 3.7Å; F306-F382 HydrophobicContact CG-CD2 4.05Å; F306-F382 HydrophobicContact CG-CG 4.21Å; F306-F382 AromaticContact CZ-CD2 3.99Å; F306-F382 HydrophobicContact CZ-CD2 3.99Å; F306-F382 HydrophobicContact CZ-CE2 4.39Å; F306-Q409 HydrophobicContact CE1-CB 4.43Å; F306-V411 HydrophobicContact CE1-CG2 4.03Å; F306-V411 HydrophobicContact CZ-CB 4.33Å; F306-V411 HydrophobicContact CZ-CG2 3.63Å
307	H	60	Low	61.1	Low	45 Å²	45	19.3 Å²	19.3	21%	0.208	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	122.6	175.8	-165.4	103.9	0	0	0	113.1	H231 F382 T384 V424	H231-H307 HydrophobicContact CB-CB 4.48Å; H231-H307 WeakPolarHBondContact CB-ND1 3.45Å; H231-H307 AromaticContact CE1-ND1 3.94Å; H231-H307 AromaticContact CG-CE1 3.97Å; H231-H307 AromaticContact CG-ND1 3.46Å; H231-H307 AromaticContact ND1-CE1 3.41Å; H231-H307 PolarHBondContact ND1-CE1 2.8Å; H231-H307 AromaticContact ND1-ND1 2.85Å; H231-H307 PolarHBondContact ND1-ND1 2.98Å; H307-F382 PolarHBondContact N-O 2.87Å; H307-F382 VanDerWaalsContact O-O 3.1Å; H307-T384 PolarHBondContact O-N 3.32Å; H307-V424 HydrophobicContact CB-CB 4.49Å; H307-V424 HydrophobicContact CB-CG1 4.39Å; H307-V424 HydrophobicContact CB-CG2 3.27Å
308	T	62.1	Low	61.2	Low	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	120.5	174.5	-57.3	0	0	0	0	111.1	H231 T232 V233 V311 M331 T384 M407	H231-T308 PolarHBondContact O-N 2.9Å; T232-T308 WeakPolarHBondContact CA-O 3.26Å; V233-T308 PolarHBondContact N-O 2.89Å; T308-V311 HydrophobicContact CG2-CG2 4Å; T308-M331 HydrophobicContact CG2-CE 3.79Å; T308-M331 HydrophobicContact CG2-SD 4.29Å; T308-T384 WeakPolarHBondContact CA-O 3.16Å; T308-M407 HydrophobicContact CG2-CE 3.89Å; T308-M407 HydrophobicContact CG2-SD 3.65Å; T308-M407 WeakPolarHBondContact OG1-CE 3.09Å
309	V	64.2	Low	61.3	Low	54 Å²	54	25.8 Å²	25.8	33%	0.327	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	-51.2	-178.5	-169.6	0	0	0	0	111.6	V233 N234 T384 V385	V233-V309 HydrophobicContact CB-CG1 4.45Å; V233-V309 WeakPolarHBondContact CB-O 3.17Å; V233-V309 HydrophobicContact CG2-CG1 4.4Å; N234-V309 PolarHBondContact N-O 3.31Å; V309-T384 PolarHBondContact N-O 3.03Å; V309-T384 VanDerWaalsContact N-O 3.1Å; V309-V385 WeakPolarHBondContact CB-O 3.4Å; V309-V385 HydrophobicContact CG2-CG1 4.5Å
310	S	65.2	Low	60.8	Low	36 Å²	36	28.6 Å²	28.6	25%	0.252	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	134.9	-179.8	52.6	0	0	0	0	116.3	N234 V385 S386 V387	N234-S310 WeakPolarHBondContact O-CA 3.45Å; S310-V385 PolarHBondContact N-O 2.92Å; S310-V385 PolarHBondContact OG-O 2.9Å; S310-S386 WeakPolarHBondContact O-CA 3.5Å; S310-S386 WeakPolarHBondContact OG-CB 3.29Å; S310-S386 PolarHBondContact OG-OG 3Å; S310-V387 PolarHBondContact O-N 2.91Å
311	V	72.6	Confident	60.7	Low	1 Å²	1	30.5 Å²	30.5	1%	0.006	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	99.4	162	-175.9	0	0	0	0	108.6	N234 V235 G236 T308 M331 V387 M407	N234-V311 PolarHBondContact O-N 3.1Å; V235-V311 WeakPolarHBondContact CA-O 3.42Å; V235-V311 HydrophobicContact CG2-CB 4.45Å; G236-V311 PolarHBondContact N-O 3.44Å; G236-V311 VanDerWaalsContact N-O 3.14Å; T308-V311 HydrophobicContact CG2-CG2 4Å; V311-M331 HydrophobicContact CG2-CB 4.31Å; V311-M331 HydrophobicContact CG2-CG 4.26Å; V311-M331 HydrophobicContact CG2-SD 3.99Å; V311-V387 WeakPolarHBondContact CA-O 3.38Å; V311-V387 HydrophobicContact CG2-CB 4.48Å; V311-M407 HydrophobicContact CG1-CB 4.36Å; V311-M407 HydrophobicContact CG2-CB 3.95Å; V311-M407 HydrophobicContact CG2-CG 4.47Å; V311-M407 HydrophobicContact CG2-SD 3.59Å; V311-M407 VanDerWaalsContact CG2-SD 3.59Å
312	G	75.1	Confident	61	Low	16 Å²	16	29.5 Å²	29.5	17%	0.165	17%	0.166	C	C	.	.			trans	-120.2	172.7	-168.4	0	0	0	0	0	114.8	V387 A405	G312-V387 PolarHBondContact N-O 2.84Å; G312-A405 WeakPolarHBondContact O-CB 3.46Å
313	L	78	Confident	61.6	Low	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.178	C	C	.	.			trans	-156.3	103	170.6	-169.2	173.4	0	0	0	108.2	V237 D238 H315 L327 L389 L403	V237-L313 HydrophobicContact CG1-CB 4.26Å; V237-L313 HydrophobicContact CG1-CD2 4.33Å; V237-L313 HydrophobicContact CG2-CB 4.28Å; D238-L313 PolarHBondContact N-O 3.02Å; L313-H315 HydrophobicContact CD2-CB 4.28Å; L313-L327 HydrophobicContact CD1-CB 4.45Å; L313-L327 HydrophobicContact CD2-CD2 4.48Å; L313-L389 HydrophobicContact CG-CB 4.41Å; L313-L389 HydrophobicContact CG-CD2 4.42Å; L313-L403 HydrophobicContact CD1-CB 3.99Å; L313-L403 HydrophobicContact CD2-CB 4.36Å; L313-L403 HydrophobicContact CD2-CD1 4.29Å
314	D	74.8	Confident	62.1	Low	70 Å²	70	31.9 Å²	31.9	37%	0.374	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	106.3	-171.8	-78.4	38.2	0	0	0	109.7	L389 H391	D314-L389 PolarHBondContact N-O 2.85Å; D314-L389 VanDerWaalsContact N-O 3.11Å; D314-H391 PolarHBondContact O-N 3.04Å
315	H	73	Confident	63.1	Low	3 Å²	3	31.7 Å²	31.7	1%	0.014	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	99.8	-179.9	-166.6	27.3	0	0	0	111.6	D238 L239 T240 L313 K325 H391 E393	D238-H315 PolarHBondContact O-N 3.19Å; L239-H315 HydrophobicContact CD2-CB 4.04Å; T240-H315 PolarHBondContact N-O 2.88Å; L313-H315 HydrophobicContact CD2-CB 4.28Å; H315-K325 PolarHBondContact CE1-NZ 3.04Å; H315-K325 PolarHBondContact NE2-NZ 2.96Å; H315-H391 AromaticContact CE1-ND1 3.35Å; H315-H391 PolarHBondContact CE1-ND1 3.46Å; H315-H391 AromaticContact ND1-CG 3.9Å; H315-H391 AromaticContact ND1-ND1 3.49Å; H315-H391 PolarHBondContact ND1-ND1 2.94Å; H315-H391 PolarHBondContact ND1-O 2.92Å; H315-E393 IonicContact CE1-OE2 3.12Å
316	T	70	Confident	64.2	Low	41 Å²	41	33.8 Å²	33.8	25%	0.252	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	118.3	171.8	-71.3	0	0	0	0	111	T240 H391 T392 E393	T240-T316 WeakPolarHBondContact O-CA 3.46Å; T316-H391 PolarHBondContact N-O 3.05Å; T316-T392 WeakPolarHBondContact O-CA 3.32Å; T316-E393 PolarHBondContact O-N 3.11Å
317	E	64.5	Low	65.3	Low	5 Å²	5	33.7 Å²	33.7	2%	0.023	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	136.7	177.6	178.8	161.6	-122.9	0	0	113.2	T240 G241 L243 S319 L322 K325	T240-E317 PolarHBondContact O-N 3.03Å; G241-E317 WeakPolarHBondContact CA-O 3.32Å; L243-E317 HydrophobicContact CD2-CB 4.19Å; L243-E317 HydrophobicContact CD2-CG 4.26Å; L243-E317 WeakPolarHBondContact CD2-OE2 3.2Å; E317-S319 WeakPolarHBondContact CG-O 3.32Å; E317-L322 VanDerWaalsContact CD-CD1 3.49Å; E317-L322 VanDerWaalsContact OE1-CD1 3.23Å; E317-L322 WeakPolarHBondContact OE1-CD1 3.22Å; E317-L322 WeakPolarHBondContact OE1-CD2 3.14Å; E317-L322 WeakPolarHBondContact OE1-CG 3.41Å; E317-L322 WeakPolarHBondContact OE2-CD1 3.26Å; E317-K325 IonicContact OE1-NZ 2.79Å
318	K	63.5	Low	66.2	Low	150 Å²	150	33 Å²	33	65%	0.652	19%	0.192	S	C	*	.			trans	-125.5	19.7	177.7	-58.4	-173.6	-179	-179.1	0	112.8	E393	K318-E393 PolarHBondContact N-O 3.13Å
319	S	57.5	Low	67.1	Low	9 Å²	9	33 Å²	33	6%	0.063	19%	0.192	C	C	.	.	S	Bend	trans	-129.3	150.1	-171.6	-64.7	0	0	0	0	111.8	E317 S395	E317-S319 WeakPolarHBondContact CG-O 3.32Å; S319-S395 WeakPolarHBondContact CB-O 3.38Å; S319-S395 PolarHBondContact OG-N 2.92Å; S319-S395 PolarHBondContact OG-O 3.44Å; S319-S395 VanDerWaalsContact OG-O 3.14Å
320	P	46.5	Very low	67.8	Low	62 Å²	62	30.8 Å²	30.8	40%	0.403	18%	0.179	S	C	.	.	S	Bend	trans	-89.3	153.8	173.1	35.2	-33.1	0	0	0	112.1	Q244	Q244-P320 HydrophobicContact CB-CB 4.23Å
321	S	51.9	Low	68.6	Low	62 Å²	62	29.1 Å²	29.1	43%	0.434	17%	0.167	S	C	.	.			trans	67.6	105.6	176.3	74.5	0	0	0	0	117.3	Q244	Q244-S321 PolarHBondContact O-N 2.97Å
322	L	53.3	Low	68.8	Low	3 Å²	3	33.7 Å²	33.7	2%	0.016	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	139.5	167	-64.7	179.6	0	0	0	110.6	V246 L247 E317 K325 E393 L398	V246-L322 HydrophobicContact CG1-CB 4.15Å; V246-L322 HydrophobicContact CG1-CD1 4.22Å; V246-L322 HydrophobicContact CG2-CB 4.42Å; V246-L322 HydrophobicContact CG2-CD1 4.46Å; L247-L322 PolarHBondContact N-O 3.13Å; E317-L322 VanDerWaalsContact CD-CD1 3.49Å; E317-L322 VanDerWaalsContact OE1-CD1 3.23Å; E317-L322 WeakPolarHBondContact OE1-CD1 3.22Å; E317-L322 WeakPolarHBondContact OE1-CD2 3.14Å; E317-L322 WeakPolarHBondContact OE1-CG 3.41Å; E317-L322 WeakPolarHBondContact OE2-CD1 3.26Å; L322-K325 HydrophobicContact CD1-CD 3.76Å; L322-K325 HydrophobicContact CD1-CG 4.36Å; L322-K325 HydrophobicContact CD2-CD 4.39Å; L322-E393 WeakPolarHBondContact CD2-OE1 3.4Å; L322-L398 HydrophobicContact CD2-CB 4.34Å
323	V	55.6	Low	68.5	Low	72 Å²	72	33.1 Å²	33.1	44%	0.436	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	125.6	176.5	179.1	0	0	0	0	110.3	L247 V399 G400	L247-V323 HydrophobicContact CB-CG2 4.46Å; L247-V323 HydrophobicContact CD2-CG1 3.97Å; V323-V399 HydrophobicContact CB-CG2 4.44Å; V323-V399 WeakPolarHBondContact O-CA 3.43Å; V323-G400 PolarHBondContact O-N 3.09Å
324	G	63.5	Low	67.7	Low	24 Å²	24	35 Å²	35	25%	0.247	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	72.4	30.1	171.8	0	0	0	0	0	114.6	L247 G400	L247-G324 PolarHBondContact O-N 3.13Å; G324-G400 WeakPolarHBondContact O-CA 3.22Å
325	K	66.6	Low	67.1	Low	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	140.8	164.5	-75.9	-158.6	-177.9	145.7	0	110	Y248 E249 H315 E317 L322 E393 K401	Y248-K325 HydrophobicContact CD1-CB 3.81Å; Y248-K325 HydrophobicContact CE1-CB 3.88Å; Y248-K325 HydrophobicContact CE1-CD 4.48Å; E249-K325 PolarHBondContact N-O 3.37Å; H315-K325 PolarHBondContact CE1-NZ 3.04Å; H315-K325 PolarHBondContact NE2-NZ 2.96Å; E317-K325 IonicContact OE1-NZ 2.79Å; L322-K325 HydrophobicContact CD1-CD 3.76Å; L322-K325 HydrophobicContact CD1-CG 4.36Å; L322-K325 HydrophobicContact CD2-CD 4.39Å; K325-E393 IonicContact NZ-OE1 3.62Å; K325-E393 PolarHBondContact NZ-OE1 2.83Å; K325-E393 IonicContact NZ-OE2 3.96Å; K325-E393 PolarHBondContact NZ-OE2 2.91Å; K325-K401 WeakPolarHBondContact CA-O 3.35Å; K325-K401 HydrophobicContact CD-CB 4.4Å; K325-K401 HydrophobicContact CG-CB 4.16Å
326	K	74.2	Confident	65.9	Low	54 Å²	54	35.4 Å²	35.4	24%	0.235	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	123.8	166.2	175.6	161.5	-173.5	159.3	0	110.1	N250 K401 K402 L403	N250-K326 HydrophobicContact CB-CD 4.13Å; N250-K326 HydrophobicContact CB-CG 4.17Å; N250-K326 WeakPolarHBondContact O-CA 3.17Å; K326-K401 PolarHBondContact N-O 3.27Å; K326-K402 HydrophobicContact CB-CG 4.27Å; K326-K402 HydrophobicContact CG-CG 4.37Å; K326-K402 WeakPolarHBondContact O-CA 3.3Å; K326-L403 PolarHBondContact O-N 3.37Å
327	L	80	Confident	64.9	Low	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	132.2	179.5	-53.7	-179	0	0	0	108.9	V237 L239 Y248 N250 V251 Q252 L313 L403	V237-L327 HydrophobicContact CG1-CB 4.19Å; V237-L327 HydrophobicContact CG1-CD1 4.33Å; L239-L327 HydrophobicContact CD1-CD1 4.24Å; L239-L327 HydrophobicContact CD2-CD1 3.75Å; L239-L327 HydrophobicContact CG-CD1 4.33Å; Y248-L327 HydrophobicContact CD1-CD1 4.39Å; Y248-L327 HydrophobicContact CE1-CD1 3.81Å; Y248-L327 HydrophobicContact CE1-CG 4.27Å; N250-L327 PolarHBondContact O-N 3.2Å; V251-L327 HydrophobicContact CG1-CB 4.27Å; V251-L327 HydrophobicContact CG2-CB 4.43Å; V251-L327 HydrophobicContact CG2-CD1 4.24Å; Q252-L327 PolarHBondContact N-O 3.29Å; L313-L327 HydrophobicContact CD1-CB 4.45Å; L313-L327 HydrophobicContact CD2-CD2 4.48Å; L327-L403 HydrophobicContact CD2-CB 3.76Å; L327-L403 HydrophobicContact CD2-CD1 3.7Å; L327-L403 HydrophobicContact CD2-CG 3.8Å
328	Q	79	Confident	63.4	Low	30 Å²	30	36.9 Å²	36.9	14%	0.14	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	106.5	-173.2	-175.5	170	10.5	0	0	112.3	Q252 T330 L403 Q404 A405	Q252-Q328 WeakPolarHBondContact O-CA 3.2Å; Q328-T330 WeakPolarHBondContact CG-OG1 3.35Å; Q328-T330 PolarHBondContact NE2-OG1 3.08Å; Q328-L403 PolarHBondContact N-O 3.28Å; Q328-L403 VanDerWaalsContact N-O 3.11Å; Q328-Q404 HydrophobicContact CB-CG 4.4Å; Q328-Q404 VanDerWaalsContact O-CA 3.31Å; Q328-Q404 WeakPolarHBondContact O-CA 3.09Å; Q328-A405 PolarHBondContact O-N 2.9Å
329	A	79.5	Confident	62.1	Low	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	138.8	159	0	0	0	0	0	109.1	G236 V237 Q252 T254	G236-A329 WeakPolarHBondContact O-CB 3.41Å; V237-A329 HydrophobicContact CG2-CB 3.6Å; Q252-A329 PolarHBondContact O-N 2.99Å; T254-A329 PolarHBondContact N-O 2.88Å
330	T	79.6	Confident	60.7	Low	9 Å²	9	31.8 Å²	31.8	6%	0.055	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	117.2	178.9	-65.7	0	0	0	0	111.3	T254 Q328 R332 A405 T406 M407	T254-T330 WeakPolarHBondContact O-CA 2.99Å; Q328-T330 WeakPolarHBondContact CG-OG1 3.35Å; Q328-T330 PolarHBondContact NE2-OG1 3.08Å; T330-R332 HydrophobicContact CG2-CG 4.22Å; T330-A405 PolarHBondContact N-O 3.14Å; T330-A405 VanDerWaalsContact N-O 3.13Å; T330-T406 VanDerWaalsContact O-CA 3.29Å; T330-T406 WeakPolarHBondContact O-CA 3.29Å; T330-M407 PolarHBondContact O-N 3.32Å
331	M	82.3	Confident	59.8	Low	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	133.3	170.5	-173.5	172.5	176.5	0	0	109.1	T232 V235 T254 M255 R256 T308 V311 Q333	T232-M331 HydrophobicContact CG2-CE 3.92Å; T232-M331 HydrophobicContact CG2-SD 3.61Å; T232-M331 WeakPolarHBondContact OG1-CE 3.27Å; V235-M331 HydrophobicContact CG1-CB 4.32Å; V235-M331 HydrophobicContact CG2-CB 4.04Å; V235-M331 HydrophobicContact CG2-SD 3.6Å; V235-M331 VanDerWaalsContact CG2-SD 3.6Å; T254-M331 PolarHBondContact O-N 3.31Å; M255-M331 HydrophobicContact CG-CB 4.47Å; R256-M331 PolarHBondContact N-O 2.68Å; T308-M331 HydrophobicContact CG2-CE 3.79Å; T308-M331 HydrophobicContact CG2-SD 4.29Å; V311-M331 HydrophobicContact CG2-CB 4.31Å; V311-M331 HydrophobicContact CG2-CG 4.26Å; V311-M331 HydrophobicContact CG2-SD 3.99Å; M331-Q333 VanDerWaalsContact CE-CD 3.49Å; M331-Q333 HydrophobicContact CE-CG 4.19Å
332	R	76.4	Confident	58.5	Low	98 Å²	98	26.9 Å²	26.9	37%	0.37	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	122.3	169.2	-62.4	-170.7	-179.3	-159.1	0.6	109.3	R256 T330 M407 R408 Q409	R256-R332 HydrophobicContact CB-CG 4.45Å; R256-R332 WeakPolarHBondContact O-CA 3.31Å; T330-R332 HydrophobicContact CG2-CG 4.22Å; R332-M407 PolarHBondContact N-O 3.17Å; R332-R408 HydrophobicContact CB-CG 4.43Å; R332-R408 WeakPolarHBondContact O-CA 3.14Å; R332-Q409 PolarHBondContact O-N 3.01Å
333	Q	69.5	Low	57.4	Low	4 Å²	4	27 Å²	27	2%	0.019	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	129.1	162.2	-80.2	165.4	-29.5	0	0	107.1	R256 Q257 S258 M331 Q409	R256-Q333 PolarHBondContact O-N 3Å; Q257-Q333 WeakPolarHBondContact CA-O 3.38Å; Q257-Q333 HydrophobicContact CG-CB 4.1Å; S258-Q333 PolarHBondContact N-O 3.44Å; S258-Q333 VanDerWaalsContact N-O 3.11Å; M331-Q333 VanDerWaalsContact CE-CD 3.49Å; M331-Q333 HydrophobicContact CE-CG 4.19Å; Q333-Q409 WeakPolarHBondContact CA-O 2.81Å; Q333-Q409 HydrophobicContact CG-CB 4.09Å
334	S	61.5	Low	56.2	Low	38 Å²	38	24 Å²	24	27%	0.266	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	131.8	169.2	50.9	0	0	0	0	108.8	S258 Q409 S410 V411	S258-S334 WeakPolarHBondContact O-CA 3.22Å; S334-Q409 PolarHBondContact N-O 3.06Å; S334-Q409 VanDerWaalsContact N-O 3.07Å; S334-S410 VanDerWaalsContact O-CA 3.31Å; S334-S410 WeakPolarHBondContact O-CA 3.49Å; S334-V411 PolarHBondContact O-N 3.24Å
335	V	60.4	Low	54.5	Low	4 Å²	4	23.2 Å²	23.2	2%	0.024	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	119.3	169.7	-179.8	0	0	0	0	106.6	F230 S258 V259 E260 F306 N337 V411	F230-V335 HydrophobicContact CE1-CG2 3.84Å; F230-V335 HydrophobicContact CZ-CB 4.35Å; F230-V335 HydrophobicContact CZ-CG2 3.55Å; S258-V335 PolarHBondContact O-N 3Å; V259-V335 WeakPolarHBondContact CA-O 3.13Å; E260-V335 PolarHBondContact N-O 3Å; F306-V335 HydrophobicContact CE2-CG2 3.92Å; F306-V335 HydrophobicContact CZ-CG2 3.73Å; V335-N337 WeakPolarHBondContact CG1-ND2 3.48Å; V335-V411 WeakPolarHBondContact CA-O 3.36Å; V335-V411 HydrophobicContact CG2-CB 4.39Å
336	E	48.8	Very low	52.8	Low	79 Å²	79	23.2 Å²	23.2	37%	0.369	12%	0.119	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	108.2	-173.8	-171.9	165.4	166.9	0	0	107	V411 N413	E336-V411 PolarHBondContact N-O 3.31Å; E336-N413 PolarHBondContact O-N 3.5Å
337	N	48.7	Very low	50.5	Low	5 Å²	5	20.9 Å²	20.9	3%	0.027	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	106.5	-178.1	-55.7	-68.3	0	0	0	108.9	E260 N261 T262 V335 D343 N413	E260-N337 PolarHBondContact O-N 2.94Å; N261-N337 PolarHBondContact OD1-ND2 3.21Å; T262-N337 PolarHBondContact N-O 3.35Å; V335-N337 WeakPolarHBondContact CG1-ND2 3.48Å; N337-D343 HydrophobicContact CB-CB 4.47Å; N337-N413 WeakPolarHBondContact OD1-CB 3.41Å; N337-N413 PolarHBondContact OD1-ND2 2.97Å
338	T	34.4	Very low	48	Very low	72 Å²	72	22.6 Å²	22.6	44%	0.442	12%	0.119	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	95.4	164.4	-63	0	0	0	0	107.1	N413 S415	T338-N413 PolarHBondContact N-O 3.18Å; T338-S415 PolarHBondContact O-N 3.08Å
339	S	35.9	Very low	45.6	Very low	10 Å²	10	26.1 Å²	26.1	7%	0.07	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	128	-179.4	-170.5	0	0	0	0	110.4	T262 Q341 S415	T262-S339 VanDerWaalsContact O-O 3.07Å; S339-Q341 WeakPolarHBondContact CB-O 3.5Å; S339-Q341 PolarHBondContact O-N 2.95Å; S339-Q341 VanDerWaalsContact OG-C 3.29Å; S339-Q341 PolarHBondContact OG-O 2.9Å; S339-S415 VanDerWaalsContact OG-CB 3.28Å; S339-S415 WeakPolarHBondContact OG-CB 3.36Å; S339-S415 PolarHBondContact OG-OG 3.1Å
340	T	27.8	Very low	43.3	Very low	42 Å²	42	27.9 Å²	27.9	26%	0.258	16%	0.156	S	C	.	.	S	Bend	trans	-66.4	103.6	153.7	43.5	0	0	0	0	107.3	Q218 V220	Q218-T340 HydrophobicContact CB-CG2 4.02Å; Q218-T340 HydrophobicContact CG-CG2 4.47Å; V220-T340 VanDerWaalsContact CG2-O 3.24Å; V220-T340 WeakPolarHBondContact CG2-O 3.45Å
341	Q	26.2	Very low	41.2	Very low	12 Å²	12	33.7 Å²	33.7	6%	0.056	19%	0.191	C	C	.	.	S	Bend	trans	74.9	84.7	-162.8	-157.6	173.4	-53.1	0	0	115.3	V144 V220 E225 S263 S339	V144-Q341 HydrophobicContact CG1-CG 4.42Å; V144-Q341 HydrophobicContact CG2-CB 3.92Å; V144-Q341 HydrophobicContact CG2-CG 3.98Å; V220-Q341 HydrophobicContact CB-CB 3.67Å; V220-Q341 HydrophobicContact CB-CG 4.3Å; V220-Q341 HydrophobicContact CG1-CB 3.94Å; V220-Q341 VanDerWaalsContact CG1-CD 3.42Å; V220-Q341 HydrophobicContact CG1-CG 4.21Å; V220-Q341 VanDerWaalsContact CG1-OE1 3.23Å; V220-Q341 HydrophobicContact CG2-CB 3.78Å; E225-Q341 PolarHBondContact OE1-NE2 2.92Å; S263-Q341 WeakPolarHBondContact OG-CA 3.2Å; S263-Q341 PolarHBondContact OG-N 2.92Å; S339-Q341 WeakPolarHBondContact CB-O 3.5Å; S339-Q341 PolarHBondContact O-N 2.95Å; S339-Q341 VanDerWaalsContact OG-C 3.29Å; S339-Q341 PolarHBondContact OG-O 2.9Å
342	T	26.2	Very low	39.3	Very low	9 Å²	9	34.8 Å²	34.8	6%	0.055	20%	0.197	C	C	.	.				74	134.5	114.4	-51.9	0	0	0	0	122.1	S263 R303	S263-T342 PolarHBondContact OG-N 2.94Å; S263-T342 PolarHBondContact OG-OG1 2.91Å; R303-T342 PolarHBondContact NH1-O 3.29Å
343	D	29.3	Very low	37.9	Very low	6 Å²	6	30.9 Å²	30.9	3%	0.032	18%	0.184	C	C	.	.			trans	-156.9	-168.7	154	-126.4	155.3	0	0	0	105.8	R227 P228 R303 N337 R379	R227-D343 PolarHBondContact NH1-O 3.24Å; R227-D343 VanDerWaalsContact NH1-O 3.08Å; P228-D343 WeakPolarHBondContact CD-OD2 3.26Å; R303-D343 WeakPolarHBondContact CD-OD2 3.35Å; R303-D343 IonicContact CZ-OD2 2.67Å; R303-D343 IonicContact NE-OD2 2.94Å; R303-D343 IonicContact NH1-OD2 3.9Å; R303-D343 PolarHBondContact NH1-OD2 3.06Å; N337-D343 HydrophobicContact CB-CB 4.47Å; D343-R379 IonicContact OD1-CZ 3.21Å; D343-R379 IonicContact OD1-NH1 3.84Å; D343-R379 PolarHBondContact OD1-NH1 2.81Å
344	P	30.2	Very low	37.1	Very low	7 Å²	7	34.3 Å²	34.3	5%	0.045	20%	0.199	C	C	.	.			cis	-129.4	-169	-14.6	29.2	-4.9	0	0	0	113.2	P152 R227 P228 V259 N261	P152-P344 WeakPolarHBondContact CG-O 3.3Å; R227-P344 WeakPolarHBondContact CD-O 3.49Å; P228-P344 HydrophobicContact CG-CB 3.2Å; V259-P344 HydrophobicContact CB-CG 4.48Å; V259-P344 HydrophobicContact CG1-CG 3.29Å; V259-P344 HydrophobicContact CG2-CG 4.39Å; N261-P344 VanDerWaalsContact ND2-CD 3.28Å; N261-P344 WeakPolarHBondContact ND2-CD 3.33Å; N261-P344 WeakPolarHBondContact OD1-CD 3.07Å
345	M	28.6	Very low	37.3	Very low	8 Å²	8	34 Å²	34	4%	0.039	20%	0.195	C	C	.	.			trans	-129.9	-160.1	171.5	-94.5	-136.9	-67.8	0	0	112.6	P152 E226 R227 P228 V229	P152-M345 HydrophobicContact CB-CB 4.38Å; P152-M345 HydrophobicContact CB-CG 4.43Å; P152-M345 HydrophobicContact CG-CG 4.42Å; E226-M345 HydrophobicContact CG-CE 3.66Å; R227-M345 HydrophobicContact CB-CB 3.74Å; R227-M345 HydrophobicContact CB-CG 3.7Å; R227-M345 HydrophobicContact CG-CG 4.16Å; R227-M345 WeakPolarHBondContact O-CB 3.44Å; R227-M345 WeakPolarHBondContact O-CE 2.89Å; P228-M345 CarbonylContact O-C 3.47Å; P228-M345 WeakPolarHBondContact O-CA 3.41Å; P228-M345 WeakPolarHBondContact O-CB 3.32Å; P228-M345 PolarHBondContact O-N 3.01Å; P228-M345 VanDerWaalsContact O-O 3.09Å; V229-M345 HydrophobicContact CG2-CE 4.45Å
346	A	29.7	Very low	37.8	Very low	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.197	C	C	.	.			trans	-155.8	171.8	170.2	0	0	0	0	0	114.3	V153 F154 P228 V229 F230	V153-A346 CarbonylContact C-O 3.24Å; V153-A346 WeakPolarHBondContact CA-O 3.2Å; V153-A346 WeakPolarHBondContact CB-O 3.48Å; V153-A346 PolarHBondContact N-O 3.47Å; V153-A346 CarbonylContact O-C 3.36Å; F154-A346 VanDerWaalsContact CA-CB 3.44Å; F154-A346 HydrophobicContact CB-CB 3.91Å; F154-A346 HydrophobicContact CD1-CB 3.45Å; F154-A346 VanDerWaalsContact CD1-CB 3.45Å; F154-A346 HydrophobicContact CD2-CB 3.58Å; F154-A346 HydrophobicContact CE1-CB 3.79Å; F154-A346 HydrophobicContact CE2-CB 3.91Å; F154-A346 HydrophobicContact CG-CB 3.34Å; F154-A346 HydrophobicContact CZ-CB 4Å; P228-A346 PolarHBondContact O-N 2.85Å; V229-A346 WeakPolarHBondContact CG1-O 3.37Å; F230-A346 HydrophobicContact CB-CB 4.24Å; F230-A346 HydrophobicContact CD2-CB 3.67Å; F230-A346 HydrophobicContact CG-CB 4.44Å; F230-A346 VanDerWaalsContact N-C 3.32Å; F230-A346 VanDerWaalsContact N-CA 3.27Å
347	Q	27.2	Very low	39.2	Very low	5 Å²	5	31.1 Å²	31.1	2%	0.023	18%	0.182	C	C	.	.			trans	-102.3	138.8	-160.6	-131.6	166.9	27.2	0	0	118.6	V153 H155 V229 F230 H231 V305 F306	V153-Q347 CarbonylContact O-C 3.51Å; V153-Q347 PolarHBondContact O-N 3.39Å; V153-Q347 VanDerWaalsContact O-O 3.07Å; H155-Q347 WeakPolarHBondContact CB-O 3.42Å; V229-Q347 VanDerWaalsContact C-N 3.32Å; V229-Q347 HydrophobicContact CB-CB 4.15Å; V229-Q347 HydrophobicContact CB-CG 3.88Å; V229-Q347 VanDerWaalsContact CG1-CA 3.42Å; V229-Q347 HydrophobicContact CG1-CB 3.81Å; V229-Q347 HydrophobicContact CG1-CG 3.61Å; V229-Q347 VanDerWaalsContact O-CB 3.26Å; V229-Q347 WeakPolarHBondContact O-CB 3.5Å; V229-Q347 WeakPolarHBondContact O-CG 3.16Å; V229-Q347 PolarHBondContact O-NE2 2.91Å; V229-Q347 VanDerWaalsContact O-NE2 3.17Å; V229-Q347 PolarHBondContact O-OE1 3.26Å; F230-Q347 VanDerWaalsContact O-CB 3.29Å; F230-Q347 WeakPolarHBondContact O-CB 3.39Å; F230-Q347 PolarHBondContact O-N 3.08Å; H231-Q347 HydrophobicContact CB-CB 4.17Å; H231-Q347 HydrophobicContact CB-CG 4.49Å; H231-Q347 PolarHBondContact CD2-O 2.93Å; H231-Q347 VanDerWaalsContact CD2-O 3.26Å; H231-Q347 VanDerWaalsContact N-CB 3.3Å; H231-Q347 VanDerWaalsContact ND1-CG 3.31Å; H231-Q347 WeakPolarHBondContact ND1-CG 3.49Å; H231-Q347 PolarHBondContact ND1-OE1 3.43Å; H231-Q347 PolarHBondContact NE2-O 2.89Å; V305-Q347 HydrophobicContact CG1-CG 4.3Å; V305-Q347 PolarHBondContact O-NE2 3.06Å; V305-Q347 VanDerWaalsContact O-NE2 3.13Å; F306-Q347 VanDerWaalsContact C-OE1 3.3Å; F306-Q347 PolarHBondContact O-OE1 3.32Å
348	V	26.5	Very low	40.8	Very low	36 Å²	36	33.8 Å²	33.8	22%	0.218	20%	0.197	C	C	.	.			trans	-133	152.8	158.5	165	0	0	0	0	107.4	V153 H155 H231 Q271 T350	V153-V348 HydrophobicContact CG1-CB 3.59Å; V153-V348 HydrophobicContact CG1-CG2 3.5Å; H155-V348 HydrophobicContact CB-CG2 4.02Å; H231-V348 VanDerWaalsContact CE1-C 3.5Å; H231-V348 VanDerWaalsContact NE2-C 3.32Å; H231-V348 WeakPolarHBondContact NE2-CA 2.73Å; Q271-V348 HydrophobicContact CG-CG2 4.28Å; Q271-V348 VanDerWaalsContact NE2-CG2 3.3Å; V348-T350 PolarHBondContact O-N 3.46Å; V348-T350 PolarHBondContact O-OG1 3.26Å
349	P	29.2	Very low	42.9	Very low	105 Å²	105	31 Å²	31	68%	0.682	18%	0.179	S	C	*	.			trans	-75	97.6	-172.6	-10.3	27	0	0	0	111.8	H231	H231-P349 VanDerWaalsContact NE2-CD 3.27Å; H231-P349 WeakPolarHBondContact NE2-CD 3.35Å; H231-P349 WeakPolarHBondContact NE2-CG 3.11Å
350	T	31.8	Very low	45.1	Very low	37 Å²	37	30.8 Å²	30.8	23%	0.227	18%	0.177	C	C	.	.			trans	-94.2	137.6	-178.8	-49.9	0	0	0	0	111.3	L276 V348 L352	L276-T350 HydrophobicContact CB-CG2 3.82Å; L276-T350 HydrophobicContact CD1-CG2 3.6Å; L276-T350 HydrophobicContact CG-CG2 4.17Å; V348-T350 PolarHBondContact O-N 3.46Å; V348-T350 PolarHBondContact O-OG1 3.26Å; T350-L352 HydrophobicContact CG2-CD2 4.05Å; T350-L352 PolarHBondContact O-N 3.43Å
351	V	34	Very low	47.6	Very low	131 Å²	131	29 Å²	29	79%	0.794	17%	0.167	S	C	*	.			trans	-80.8	96	154.9	177.2	0	0	0	0	105.8
352	L	42.5	Very low	50.2	Low	23 Å²	23	28.5 Å²	28.5	12%	0.12	16%	0.164	C	C	.	.			trans	-57.7	135.7	-169.6	-76	171.9	0	0	0	111.3	T350 T426 L428 P429	T350-L352 HydrophobicContact CG2-CD2 4.05Å; T350-L352 PolarHBondContact O-N 3.43Å; L352-T426 HydrophobicContact CD1-CG2 3.58Å; L352-T426 HydrophobicContact CG-CG2 4Å; L352-L428 HydrophobicContact CD1-CD2 4.4Å; L352-P429 HydrophobicContact CB-CB 4.02Å; L352-P429 HydrophobicContact CB-CG 3.95Å; L352-P429 HydrophobicContact CD1-CG 4.32Å
353	P	46.8	Very low	52.6	Low	15 Å²	15	28.8 Å²	28.8	10%	0.097	17%	0.167	C	C	.	.			trans	-69.7	140	-174.7	28.3	-33.7	0	0	0	111	L276 P277 T355 P429	L276-P353 HydrophobicContact CB-CG 4.25Å; P277-P353 WeakPolarHBondContact O-CB 3.27Å; P353-T355 VanDerWaalsContact C-N 3.34Å; P353-T355 PolarHBondContact O-N 2.82Å; P353-P429 VanDerWaalsContact O-CB 3.29Å; P353-P429 WeakPolarHBondContact O-CB 3.38Å
354	K	53.6	Low	54.9	Low	77 Å²	77	28.7 Å²	28.7	34%	0.335	17%	0.167	S	C	.	.			trans	-74.8	82.5	174.9	-168.4	-127.2	167.1	-169.6	0	111.1	K278 T356 K430 T432	K278-K354 WeakPolarHBondContact CE-O 3.26Å; K278-K354 HydrophobicContact CG-CB 4.39Å; K278-K354 WeakPolarHBondContact CG-O 3.31Å; K354-T356 HydrophobicContact CD-CG2 3.76Å; K354-T356 VanDerWaalsContact CE-CG2 3.46Å; K354-K430 WeakPolarHBondContact CE-O 3.46Å; K354-K430 HydrophobicContact CG-CB 4.37Å; K354-K430 WeakPolarHBondContact CG-O 3.3Å; K354-T432 VanDerWaalsContact NZ-CG2 3.34Å; K354-T432 PolarHBondContact NZ-OG1 3.04Å
355	T	64.7	Low	57.3	Low	30 Å²	30	29.6 Å²	29.6	18%	0.184	17%	0.172	C	C	.	.			trans	-57.2	140.6	173.2	-53.5	0	0	0	0	110.9	F281 P353 F357	F281-T355 HydrophobicContact CD2-CG2 4.32Å; F281-T355 HydrophobicContact CE2-CG2 4.37Å; P353-T355 VanDerWaalsContact C-N 3.34Å; P353-T355 PolarHBondContact O-N 2.82Å; T355-F357 HydrophobicContact CG2-CD2 4.08Å; T355-F357 HydrophobicContact CG2-CE2 3.44Å; T355-F357 VanDerWaalsContact CG2-CE2 3.44Å; T355-F357 HydrophobicContact CG2-CZ 3.74Å
356	T	72	Confident	59.6	Low	9 Å²	9	29.4 Å²	29.4	6%	0.055	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	139.2	170.8	61.7	0	0	0	0	109.7	K278 T280 F281 K354 T432	K278-T356 VanDerWaalsContact NZ-CG2 3.3Å; K278-T356 PolarHBondContact NZ-OG1 3.07Å; T280-T356 WeakPolarHBondContact CG2-OG1 3.13Å; F281-T356 PolarHBondContact N-O 3.3Å; K354-T356 HydrophobicContact CD-CG2 3.76Å; K354-T356 VanDerWaalsContact CE-CG2 3.46Å; T356-T432 VanDerWaalsContact CG2-OG1 3.29Å; T356-T432 WeakPolarHBondContact CG2-OG1 3.46Å
357	F	78.2	Confident	62	Low	14 Å²	14	32.6 Å²	32.6	6%	0.061	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	117.1	175.3	-61.6	-89.8	0	0	0	108.3	F281 V284 P300 T355 V360 T431 T432 F433 D434	F281-F357 HydrophobicContact CB-CD1 3.67Å; F281-F357 HydrophobicContact CB-CE1 4.04Å; F281-F357 AromaticContact CD2-CD1 3.76Å; F281-F357 HydrophobicContact CD2-CD1 3.76Å; F281-F357 AromaticContact CD2-CE1 3.29Å; F281-F357 HydrophobicContact CD2-CE1 3.29Å; F281-F357 AromaticContact CD2-CZ 3.87Å; F281-F357 HydrophobicContact CD2-CZ 3.87Å; F281-F357 AromaticContact CE2-CE1 3.83Å; F281-F357 HydrophobicContact CE2-CE1 3.83Å; F281-F357 HydrophobicContact CE2-CZ 4.1Å; F281-F357 AromaticContact CG-CD1 3.96Å; F281-F357 HydrophobicContact CG-CD1 3.96Å; F281-F357 AromaticContact CG-CE1 3.79Å; F281-F357 HydrophobicContact CG-CE1 3.79Å; F281-F357 VanDerWaalsContact O-CA 3.28Å; F281-F357 WeakPolarHBondContact O-CA 3.34Å; V284-F357 HydrophobicContact CG2-CD1 3.95Å; V284-F357 HydrophobicContact CG2-CE1 4.25Å; P300-F357 HydrophobicContact CG-CZ 4.17Å; T355-F357 HydrophobicContact CG2-CD2 4.08Å; T355-F357 HydrophobicContact CG2-CE2 3.44Å; T355-F357 VanDerWaalsContact CG2-CE2 3.44Å; T355-F357 HydrophobicContact CG2-CZ 3.74Å; F357-V360 HydrophobicContact CB-CG2 3.66Å; F357-V360 HydrophobicContact CD1-CG2 4.04Å; F357-V360 HydrophobicContact CG-CG2 4.03Å; F357-T431 HydrophobicContact CD2-CG2 4.41Å; F357-T431 HydrophobicContact CE2-CG2 4.4Å; F357-T432 PolarHBondContact N-O 2.86Å; F357-F433 HydrophobicContact CB-CD1 3.67Å; F357-F433 HydrophobicContact CB-CE1 4.02Å; F357-F433 AromaticContact CD2-CD1 3.72Å; F357-F433 HydrophobicContact CD2-CD1 3.72Å; F357-F433 AromaticContact CD2-CE1 3.23Å; F357-F433 HydrophobicContact CD2-CE1 3.23Å; F357-F433 AromaticContact CD2-CZ 3.8Å; F357-F433 HydrophobicContact CD2-CZ 3.8Å; F357-F433 AromaticContact CE2-CE1 3.76Å; F357-F433 HydrophobicContact CE2-CE1 3.76Å; F357-F433 HydrophobicContact CE2-CZ 4.01Å; F357-F433 AromaticContact CG-CD1 3.94Å; F357-F433 HydrophobicContact CG-CD1 3.94Å; F357-F433 AromaticContact CG-CE1 3.74Å; F357-F433 HydrophobicContact CG-CE1 3.74Å; F357-F433 VanDerWaalsContact O-CA 3.28Å; F357-F433 WeakPolarHBondContact O-CA 3.33Å; F357-D434 PolarHBondContact O-N 3.04Å
358	D	81.7	Confident	64.2	Low	62 Å²	62	33 Å²	33	33%	0.332	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	-41.9	-176.7	-60.9	20.6	0	0	0	109.1	F281 D282 D434 V435	F281-D358 PolarHBondContact O-N 2.97Å; D282-D358 WeakPolarHBondContact O-CB 3.3Å; D358-D434 WeakPolarHBondContact O-CB 3.46Å; D358-V435 PolarHBondContact O-N 2.79Å
359	V	79.5	Confident	66.3	Low	13 Å²	13	33.5 Å²	33.5	8%	0.079	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	129.8	170.8	-171.4	0	0	0	0	112.7	D282 V283 V284 V435 I1014	D282-V359 PolarHBondContact O-N 2.89Å; V283-V359 CarbonylContact C-O 3.56Å; V283-V359 WeakPolarHBondContact CA-O 3.32Å; V283-V359 HydrophobicContact CG1-CB 4.44Å; V283-V359 HydrophobicContact CG2-CB 4.36Å; V284-V359 PolarHBondContact N-O 3.25Å; V359-V435 CarbonylContact C-O 3.6Å; V359-V435 WeakPolarHBondContact CA-O 3.13Å; V359-I1014 HydrophobicContact CB-CD1 4.4Å; V359-I1014 HydrophobicContact CG1-CD1 3.99Å; V359-I1014 HydrophobicContact CG2-CD1 3.5Å; V359-I1014 HydrophobicContact CG2-CG1 4.25Å
360	V	82.3	Confident	68.2	Low	5 Å²	5	32.3 Å²	32.3	3%	0.03	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	124.5	171.9	-175.1	0	0	0	0	110.7	V284 I299 F357 F433 V435 V436 T437	V284-V360 CarbonylContact O-C 3.51Å; V284-V360 WeakPolarHBondContact O-CA 3.45Å; I299-V360 HydrophobicContact CG2-CG1 4.12Å; F357-V360 HydrophobicContact CB-CG2 3.66Å; F357-V360 HydrophobicContact CD1-CG2 4.04Å; F357-V360 HydrophobicContact CG-CG2 4.03Å; V360-F433 HydrophobicContact CG2-CD1 3.96Å; V360-F433 HydrophobicContact CG2-CE1 4.26Å; V360-V435 PolarHBondContact N-O 2.82Å; V360-V436 CarbonylContact O-C 3.36Å; V360-V436 WeakPolarHBondContact O-CA 2.79Å; V360-T437 PolarHBondContact O-N 2.82Å
361	T	79.6	Confident	69.9	Low	6 Å²	6	30.9 Å²	30.9	4%	0.037	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	127.5	178.9	-61.2	0	0	0	0	112.7	V284 T285 Q286 T437 T1092	V284-T361 PolarHBondContact O-N 2.95Å; T285-T361 CarbonylContact C-O 3.59Å; T285-T361 WeakPolarHBondContact CA-O 3.26Å; Q286-T361 PolarHBondContact N-O 2.91Å; T361-T437 CarbonylContact C-O 3.55Å; T361-T437 VanDerWaalsContact CA-O 3.32Å; T361-T437 WeakPolarHBondContact CA-O 3.07Å; T361-T1092 HydrophobicContact CG2-CG2 4.24Å
362	Q	79.8	Confident	71.4	Confident	1 Å²	1	25.7 Å²	25.7	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	125.3	174.5	-170.8	-178.3	60.7	0	0	110.8	Q286 Q297 I299 T437 Q438 S439	Q286-Q362 HydrophobicContact CB-CG 4.46Å; Q297-Q362 PolarHBondContact O-NE2 3.33Å; I299-Q362 HydrophobicContact CD1-CB 3.74Å; I299-Q362 HydrophobicContact CD1-CG 3.89Å; Q362-T437 PolarHBondContact N-O 2.82Å; Q362-Q438 HydrophobicContact CB-CG 4.43Å; Q362-Q438 CarbonylContact O-C 3.44Å; Q362-Q438 WeakPolarHBondContact O-CA 3.49Å; Q362-S439 PolarHBondContact O-N 3.32Å
363	S	78.4	Confident	72.3	Confident	15 Å²	15	24.7 Å²	24.7	11%	0.105	14%	0.138	C	C	.	.			trans	-144.4	84.4	-177.8	166.7	0	0	0	0	112.3	Q286 S287 S439 S1094	Q286-S363 PolarHBondContact O-N 3.37Å; S287-S363 VanDerWaalsContact CA-O 3.31Å; S287-S363 WeakPolarHBondContact CA-O 3.27Å; S363-S439 WeakPolarHBondContact CA-O 3.29Å; S363-S1094 VanDerWaalsContact OG-CB 3.29Å; S363-S1094 WeakPolarHBondContact OG-CB 3.01Å; S363-S1094 PolarHBondContact OG-OG 3.11Å
364	G	76.9	Confident	72.7	Confident	3 Å²	3	24.2 Å²	24.2	3%	0.031	14%	0.135	C	C	.	.			trans	-117.7	154.9	-177.7	0	0	0	0	0	115.7	G288 G440 T441	G288-G364 CarbonylContact O-C 3.53Å; G288-G364 WeakPolarHBondContact O-CA 2.79Å; G364-G440 CarbonylContact O-C 3.39Å; G364-G440 WeakPolarHBondContact O-CA 3.47Å; G364-T441 PolarHBondContact O-N 3.37Å
365	T	79.6	Confident	72.9	Confident	27 Å²	27	20.8 Å²	20.8	17%	0.166	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	116	168.6	-65.3	0	0	0	0	109.9	G288 T289 V290 T441 T1096	G288-T365 PolarHBondContact O-N 3.04Å; T289-T365 CarbonylContact C-O 3.58Å; T289-T365 VanDerWaalsContact CA-O 3.29Å; T289-T365 WeakPolarHBondContact CA-O 3.32Å; V290-T365 PolarHBondContact N-O 2.91Å; T365-T441 CarbonylContact C-O 3.59Å; T365-T441 WeakPolarHBondContact CA-O 3.12Å; T365-T1096 PolarHBondContact OG1-OG1 3.13Å
366	V	78	Confident	72.4	Confident	3 Å²	3	20.7 Å²	20.7	2%	0.018	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	120.8	-176.3	-175.9	0	0	0	0	109.8	V290 S295 T441 V442 H443	V290-V366 HydrophobicContact CB-CG2 4.49Å; V290-V366 WeakPolarHBondContact O-CA 3.29Å; S295-V366 WeakPolarHBondContact OG-CG1 3.28Å; V366-T441 PolarHBondContact N-O 2.89Å; V366-V442 WeakPolarHBondContact O-CA 3.24Å; V366-H443 PolarHBondContact O-N 3.24Å
367	H	79.1	Confident	71.2	Confident	67 Å²	67	21.1 Å²	21.1	31%	0.31	12%	0.121	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	107.4	-179.7	-176.2	-81.1	0	0	0	110.9	V290 H291 C292 H443	V290-H367 PolarHBondContact O-N 2.95Å; H291-H367 WeakPolarHBondContact CA-O 3.46Å; H291-H367 AromaticContact CD2-CG 3.75Å; H291-H367 AromaticContact CD2-ND1 3.17Å; H291-H367 PolarHBondContact CD2-ND1 3.29Å; H291-H367 AromaticContact NE2-CE1 3.73Å; H291-H367 AromaticContact NE2-ND1 3.17Å; H291-H367 PolarHBondContact NE2-ND1 3.42Å; H291-H367 VanDerWaalsContact NE2-ND1 3.17Å; C292-H367 PolarHBondContact N-O 2.87Å; C292-H367 VanDerWaalsContact N-O 3.11Å; H367-H443 WeakPolarHBondContact CA-O 3.39Å; H367-H443 AromaticContact CD2-CG 3.77Å; H367-H443 AromaticContact CD2-ND1 3.17Å; H367-H443 PolarHBondContact CD2-ND1 3.07Å; H367-H443 AromaticContact NE2-CE1 3.72Å; H367-H443 AromaticContact NE2-ND1 3.16Å; H367-H443 PolarHBondContact NE2-ND1 3.3Å; H367-H443 VanDerWaalsContact NE2-ND1 3.16Å
368	C	74.5	Confident	69.6	Low	14 Å²	14	22.4 Å²	22.4	10%	0.095	13%	0.127	C	C	.	.	S	Bend	trans	-158.6	-170.9	-170.1	65	0	0	0	0	114.4	C292 S295 Q370 S371 H443 C444	C292-C368 WeakPolarHBondContact O-CA 3.46Å; C292-C368 VanDerWaalsContact O-CB 3.31Å; C292-C368 WeakPolarHBondContact O-CB 3.28Å; S295-C368 PolarHBondContact OG-SG 3.22Å; S295-C368 VanDerWaalsContact OG-SG 3.41Å; C368-Q370 PolarHBondContact SG-O 2.75Å; C368-S371 WeakPolarHBondContact SG-CB 3.35Å; C368-H443 PolarHBondContact N-O 2.96Å; C368-H443 VanDerWaalsContact N-O 3.1Å; C368-C444 WeakPolarHBondContact O-CA 3.33Å; C368-C444 VanDerWaalsContact O-CB 3.27Å; C368-C444 WeakPolarHBondContact O-CB 3.23Å
369	A	71.1	Confident	68.2	Low	47 Å²	47	19.6 Å²	19.6	39%	0.388	11%	0.112	S	C	.	.	S	Bend	trans	-84.4	-44.8	165	0	0	0	0	0	111.3	A293 A445 Q446	A293-A369 WeakPolarHBondContact O-CA 3.48Å; A293-A369 VanDerWaalsContact O-CB 3.32Å; A293-A369 WeakPolarHBondContact O-CB 3.4Å; A293-A369 PolarHBondContact O-N 3.04Å; A369-A445 WeakPolarHBondContact O-CA 3.05Å; A369-A445 WeakPolarHBondContact O-CB 3.03Å; A369-A445 PolarHBondContact O-N 2.85Å; A369-Q446 PolarHBondContact O-N 2.84Å; A369-Q446 VanDerWaalsContact O-N 3.08Å
370	Q	68.3	Low	66.6	Low	79 Å²	79	19.2 Å²	19.2	37%	0.369	11%	0.11	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	133.4	-178.3	-59.7	178.1	-53.8	0	0	111.2	A293 Q294 S295 C368 Q446	A293-Q370 PolarHBondContact O-N 3.35Å; A293-Q370 VanDerWaalsContact O-N 3.1Å; Q294-Q370 WeakPolarHBondContact CA-O 3.36Å; Q294-Q370 HydrophobicContact CG-CB 4.45Å; S295-Q370 PolarHBondContact N-O 2.85Å; S295-Q370 VanDerWaalsContact N-O 3.09Å; C368-Q370 PolarHBondContact SG-O 2.75Å; Q370-Q446 WeakPolarHBondContact CA-O 3.4Å; Q370-Q446 HydrophobicContact CG-CB 4.41Å
371	S	67.3	Low	65.1	Low	8 Å²	8	19.1 Å²	19.1	6%	0.056	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	145.8	-176.5	38.2	0	0	0	0	114.9	S295 C368 V442 C444 Q446 S447 V448	S295-S371 WeakPolarHBondContact O-CA 3.08Å; C368-S371 WeakPolarHBondContact SG-CB 3.35Å; S371-V442 WeakPolarHBondContact OG-CG1 3.29Å; S371-C444 PolarHBondContact OG-SG 3.16Å; S371-C444 VanDerWaalsContact OG-SG 3.33Å; S371-Q446 PolarHBondContact N-O 2.81Å; S371-Q446 VanDerWaalsContact N-O 3.1Å; S371-S447 WeakPolarHBondContact O-CA 3.2Å; S371-V448 PolarHBondContact O-N 3.15Å
372	V	65.7	Low	64	Low	22 Å²	22	19 Å²	19	13%	0.133	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	133.9	170.8	172.8	0	0	0	0	109	S295 V296 Q297 T374 Q417 V448	S295-V372 PolarHBondContact O-N 3.1Å; V296-V372 WeakPolarHBondContact CA-O 3.15Å; V296-V372 HydrophobicContact CG1-CB 4.26Å; V296-V372 HydrophobicContact CG1-CG1 4.15Å; V296-V372 HydrophobicContact CG2-CB 4.27Å; Q297-V372 PolarHBondContact N-O 2.73Å; V372-T374 WeakPolarHBondContact CG1-OG1 3.34Å; V372-Q417 HydrophobicContact CG1-CG 4.42Å; V372-Q417 HydrophobicContact CG2-CB 4.42Å; V372-V448 WeakPolarHBondContact CA-O 3.31Å
373	Q	61	Low	63	Low	2 Å²	2	19.7 Å²	19.7	1%	0.009	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	112.9	171.1	-171.5	179	60.9	0	0	110.1	Q297 V448 T450	Q297-Q373 WeakPolarHBondContact O-CA 3.26Å; Q373-V448 PolarHBondContact N-O 3.32Å; Q373-V448 VanDerWaalsContact N-O 3.08Å; Q373-T450 PolarHBondContact O-N 3.13Å; Q373-T450 VanDerWaalsContact O-N 3.16Å
374	T	55.2	Low	62.3	Low	5 Å²	5	19 Å²	19	3%	0.031	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	159.1	-163	-51.1	0	0	0	0	112	Q297 T298 V372 T450	Q297-T374 PolarHBondContact O-N 2.97Å; T298-T374 WeakPolarHBondContact CA-O 3.25Å; V372-T374 WeakPolarHBondContact CG1-OG1 3.34Å; T374-T450 WeakPolarHBondContact CA-O 3.27Å
375	I	58.6	Low	61.7	Low	5 Å²	5	21.5 Å²	21.5	3%	0.026	12%	0.121	C	C	.	.			trans	-129.2	162.3	-175.2	-79.2	177	0	0	0	106.4	I299 V436 Q438 P452	I299-I375 CarbonylContact O-C 2.8Å; I375-V436 HydrophobicContact CD1-CG1 4.24Å; I375-V436 HydrophobicContact CG2-CG1 4.25Å; I375-Q438 HydrophobicContact CD1-CB 3.77Å; I375-Q438 HydrophobicContact CD1-CG 3.91Å; I375-P452 VanDerWaalsContact O-CB 3.27Å; I375-P452 WeakPolarHBondContact O-CB 3.1Å; I375-P452 VanDerWaalsContact O-CD 3.3Å; I375-P452 WeakPolarHBondContact O-CD 3.38Å; I375-P452 WeakPolarHBondContact O-CG 3.31Å
376	P	54.2	Low	60.9	Low	27 Å²	27	21.7 Å²	21.7	18%	0.175	12%	0.123	C	C	.	.			trans	-70.9	127.5	-135.4	22.4	-32.7	0	0	0	118	I299 P300 F433 P452	I299-P376 WeakPolarHBondContact O-CA 3.31Å; I299-P376 VanDerWaalsContact O-CB 3.26Å; I299-P376 WeakPolarHBondContact O-CB 3.25Å; I299-P376 VanDerWaalsContact O-CD 3.25Å; I299-P376 WeakPolarHBondContact O-CD 3.11Å; I299-P376 VanDerWaalsContact O-N 3.12Å; P300-P376 HydrophobicContact CG-CB 3.92Å; P300-P376 HydrophobicContact CG-CG 4.44Å; P300-P376 VanDerWaalsContact O-CA 3.24Å; P300-P376 WeakPolarHBondContact O-CA 3.27Å; P300-P376 WeakPolarHBondContact O-CB 3.47Å; P376-F433 HydrophobicContact CG-CE1 4.29Å; P376-F433 HydrophobicContact CG-CE2 4.43Å; P376-F433 HydrophobicContact CG-CZ 3.67Å; P376-P452 VanDerWaalsContact C-CB 3.5Å; P376-P452 WeakPolarHBondContact O-CB 3.48Å; P376-P452 WeakPolarHBondContact O-CG 3.08Å
377	E	46	Very low	60.5	Low	19 Å²	19	21.5 Å²	21.5	9%	0.089	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	134.6	-179.4	-164.5	-177.2	131.4	0	0	112.4	E301 E302 Q455	E301-E377 HydrophobicContact CG-CB 4.47Å; E302-E377 PolarHBondContact N-O 3.45Å; E377-Q455 PolarHBondContact OE1-NE2 3.17Å
378	E	44.3	Very low	60.3	Low	40 Å²	40	18.9 Å²	18.9	19%	0.187	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	109.5	169.6	-176.3	171	162.4	0	0	109.1
379	R	52.6	Low	60.4	Low	4 Å²	4	18.2 Å²	18.2	2%	0.015	11%	0.109	C	C	.	.			trans	-94.1	-162.8	168.1	-35.5	172.4	172.2	179.8	15.2	109.5	E301 E302 D343 T418 P420	E301-R379 HydrophobicContact CG-CG 4.5Å; E301-R379 IonicContact OE1-CZ 2.96Å; E301-R379 IonicContact OE1-NE 3.71Å; E301-R379 PolarHBondContact OE1-NE 3.37Å; E301-R379 IonicContact OE1-NH2 3.13Å; E301-R379 PolarHBondContact OE1-NH2 3.16Å; E301-R379 IonicContact OE2-CZ 2.68Å; E301-R379 IonicContact OE2-NE 3.46Å; E301-R379 IonicContact OE2-NH2 3.3Å; E301-R379 PolarHBondContact OE2-NH2 2.87Å; E302-R379 WeakPolarHBondContact O-CB 3.39Å; E302-R379 WeakPolarHBondContact O-CG 3.14Å; E302-R379 PolarHBondContact O-N 3.49Å; E302-R379 VanDerWaalsContact O-N 3.1Å; D343-R379 IonicContact OD1-CZ 3.21Å; D343-R379 IonicContact OD1-NH1 3.84Å; D343-R379 PolarHBondContact OD1-NH1 2.81Å; R379-T418 PolarHBondContact NH2-OG1 3.19Å; R379-P420 HydrophobicContact CB-CG 4.28Å; R379-P420 VanDerWaalsContact CD-CD 3.42Å
380	P	46.5	Very low	60.6	Low	4 Å²	4	19.5 Å²	19.5	3%	0.026	11%	0.109	C	C	.	.			trans	-106.4	-169	-150.4	41.3	-38.5	0	0	0	117.4	P304 V305 P420 M421 A422	P304-P380 CarbonylContact C-O 3.57Å; P304-P380 WeakPolarHBondContact CA-O 3.47Å; P304-P380 HydrophobicContact CB-CG 3.6Å; P304-P380 HydrophobicContact CG-CG 3.68Å; V305-P380 PolarHBondContact N-O 2.97Å; P380-P420 VanDerWaalsContact CD-O 3.23Å; P380-P420 WeakPolarHBondContact CD-O 3.37Å; P380-P420 HydrophobicContact CG-CG 4.49Å; P380-M421 VanDerWaalsContact CB-CA 3.43Å; P380-M421 HydrophobicContact CB-CB 3.83Å; P380-M421 HydrophobicContact CB-CE 4.02Å; P380-M421 HydrophobicContact CB-CG 3.7Å; P380-M421 HydrophobicContact CB-SD 4.48Å; P380-M421 HydrophobicContact CG-CB 4.41Å; P380-M421 HydrophobicContact CG-CG 4.22Å; P380-A422 HydrophobicContact CB-CB 4.19Å; P380-A422 WeakPolarHBondContact CB-O 3.46Å
381	V	50.7	Low	60.8	Low	4 Å²	4	15.8 Å²	15.8	2%	0.024	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	-179.9	172.1	-118.7	0	0	0	0	106.5	V305 A422 Q423 V424 V457	V305-V381 HydrophobicContact CB-CB 4.15Å; V305-V381 HydrophobicContact CB-CG1 3.44Å; V305-V381 VanDerWaalsContact CB-CG1 3.44Å; V305-V381 HydrophobicContact CG1-CG1 3.46Å; V305-V381 VanDerWaalsContact CG1-CG1 3.46Å; V305-V381 HydrophobicContact CG2-CG1 4.29Å; V305-V381 CarbonylContact O-C 3.39Å; V305-V381 VanDerWaalsContact O-C 3.29Å; V305-V381 VanDerWaalsContact O-CA 3.3Å; V305-V381 WeakPolarHBondContact O-CA 3.18Å; V381-A422 VanDerWaalsContact C-C 3.43Å; V381-A422 CarbonylContact C-O 3.57Å; V381-A422 PolarHBondContact N-O 3.03Å; V381-A422 CarbonylContact O-C 3.43Å; V381-A422 VanDerWaalsContact O-CA 3.32Å; V381-A422 WeakPolarHBondContact O-CA 3.41Å; V381-A422 WeakPolarHBondContact O-CB 3.36Å; V381-A422 VanDerWaalsContact O-O 3.08Å; V381-Q423 VanDerWaalsContact C-N 3.3Å; V381-Q423 PolarHBondContact O-N 2.97Å; V381-V424 HydrophobicContact CB-CB 3.62Å; V381-V424 HydrophobicContact CB-CG1 4.14Å; V381-V424 VanDerWaalsContact CB-N 3.33Å; V381-V424 HydrophobicContact CG1-CB 3.43Å; V381-V424 VanDerWaalsContact CG1-CB 3.43Å; V381-V424 HydrophobicContact CG1-CG1 3.35Å; V381-V457 HydrophobicContact CG2-CG1 3.84Å
382	F	56.7	Low	60.9	Low	3 Å²	3	17.1 Å²	17.1	1%	0.013	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	114.8	174.9	-131.7	-48.9	0	0	0	116.1	V305 F306 H307 V411 A422 Q423 V424 Q485 V487	V305-F382 PolarHBondContact O-N 2.95Å; F306-F382 VanDerWaalsContact CA-CB 3.45Å; F306-F382 HydrophobicContact CB-CB 3.79Å; F306-F382 HydrophobicContact CD1-CB 3.54Å; F306-F382 AromaticContact CD1-CD2 3.32Å; F306-F382 HydrophobicContact CD1-CD2 3.32Å; F306-F382 HydrophobicContact CD1-CE2 4.16Å; F306-F382 AromaticContact CD1-CG 3.56Å; F306-F382 HydrophobicContact CD1-CG 3.56Å; F306-F382 HydrophobicContact CE1-CB 4.39Å; F306-F382 AromaticContact CE1-CD2 3.28Å; F306-F382 HydrophobicContact CE1-CD2 3.28Å; F306-F382 AromaticContact CE1-CE2 3.72Å; F306-F382 HydrophobicContact CE1-CE2 3.72Å; F306-F382 AromaticContact CE1-CG 4Å; F306-F382 HydrophobicContact CE1-CG 4Å; F306-F382 HydrophobicContact CG-CB 3.7Å; F306-F382 HydrophobicContact CG-CD2 4.05Å; F306-F382 HydrophobicContact CG-CG 4.21Å; F306-F382 AromaticContact CZ-CD2 3.99Å; F306-F382 HydrophobicContact CZ-CD2 3.99Å; F306-F382 HydrophobicContact CZ-CE2 4.39Å; H307-F382 PolarHBondContact N-O 2.87Å; H307-F382 VanDerWaalsContact O-O 3.1Å; F382-V411 HydrophobicContact CE2-CG2 4Å; F382-A422 HydrophobicContact CB-CB 3.99Å; F382-A422 HydrophobicContact CD1-CB 3.41Å; F382-A422 VanDerWaalsContact CD1-CB 3.41Å; F382-A422 HydrophobicContact CD2-CB 3.28Å; F382-A422 HydrophobicContact CE1-CB 3.52Å; F382-A422 HydrophobicContact CE2-CB 3.43Å; F382-A422 VanDerWaalsContact CE2-CB 3.43Å; F382-A422 HydrophobicContact CG-CB 3.26Å; F382-A422 HydrophobicContact CZ-CB 3.54Å; F382-Q423 CarbonylContact C-O 3.33Å; F382-Q423 WeakPolarHBondContact CA-O 3.2Å; F382-Q423 PolarHBondContact N-O 3.03Å; F382-V424 VanDerWaalsContact C-CG2 3.45Å; F382-V424 WeakPolarHBondContact O-CG2 3.42Å; F382-Q485 HydrophobicContact CE1-CB 4.27Å; F382-Q485 HydrophobicContact CE1-CG 4.28Å; F382-Q485 VanDerWaalsContact CE1-OE1 3.29Å; F382-Q485 HydrophobicContact CZ-CB 4.33Å; F382-V487 HydrophobicContact CE2-CG2 4.15Å; F382-V487 HydrophobicContact CZ-CG2 4.03Å
383	H	59.4	Low	60.9	Low	15 Å²	15	16 Å²	16	7%	0.069	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	124.5	-159.6	-109.2	137.7	0	0	0	112.1	Q423 V424 P425 H459 T460	H383-Q423 VanDerWaalsContact CA-O 3.23Å; H383-Q423 WeakPolarHBondContact CA-O 3.33Å; H383-Q423 WeakPolarHBondContact CB-O 3.02Å; H383-Q423 PolarHBondContact N-O 3.33Å; H383-Q423 VanDerWaalsContact ND1-C 3.34Å; H383-Q423 PolarHBondContact ND1-O 3.01Å; H383-Q423 VanDerWaalsContact ND1-O 3.14Å; H383-V424 HydrophobicContact CB-CG2 4.43Å; H383-V424 WeakPolarHBondContact CE1-CA 2.96Å; H383-V424 WeakPolarHBondContact ND1-CA 3.49Å; H383-V424 PolarHBondContact ND1-N 2.97Å; H383-P425 WeakPolarHBondContact NE2-CD 3.24Å; H383-P425 VanDerWaalsContact NE2-CG 3.33Å; H383-P425 WeakPolarHBondContact NE2-CG 3.13Å; H383-H459 HydrophobicContact CB-CB 4.42Å; H383-H459 AromaticContact CE1-CD2 3.21Å; H383-H459 PolarHBondContact CE1-CD2 3.39Å; H383-H459 AromaticContact CE1-CE1 3.43Å; H383-H459 PolarHBondContact CE1-CE1 3.47Å; H383-H459 VanDerWaalsContact CE1-CE1 3.43Å; H383-H459 AromaticContact CE1-CG 3.77Å; H383-H459 AromaticContact CE1-ND1 3.88Å; H383-H459 AromaticContact CE1-NE2 2.97Å; H383-H459 PolarHBondContact CE1-NE2 3.49Å; H383-H459 AromaticContact CG-CD2 3.83Å; H383-H459 AromaticContact CG-CG 3.96Å; H383-H459 AromaticContact ND1-CD2 3.1Å; H383-H459 PolarHBondContact ND1-CD2 3.48Å; H383-H459 AromaticContact ND1-CE1 3.45Å; H383-H459 PolarHBondContact ND1-CE1 3.27Å; H383-H459 AromaticContact ND1-CG 3.19Å; H383-H459 AromaticContact ND1-ND1 3.42Å; H383-H459 PolarHBondContact ND1-ND1 3.33Å; H383-H459 AromaticContact ND1-NE2 3.28Å; H383-H459 PolarHBondContact ND1-NE2 2.99Å; H383-H459 AromaticContact NE2-CD2 3.93Å; H383-H459 AromaticContact NE2-NE2 3.89Å; H383-T460 PolarHBondContact O-N 3.34Å
384	T	62.6	Low	61.1	Low	1 Å²	1	21 Å²	21	1%	0.006	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	113.9	161.6	-56.4	0	0	0	0	110.2	H307 T308 V309 V387 M407 T460 M483	H307-T384 PolarHBondContact O-N 3.32Å; T308-T384 WeakPolarHBondContact CA-O 3.16Å; V309-T384 PolarHBondContact N-O 3.03Å; V309-T384 VanDerWaalsContact N-O 3.1Å; T384-V387 HydrophobicContact CG2-CG2 3.77Å; T384-M407 HydrophobicContact CG2-CE 3.8Å; T384-M407 HydrophobicContact CG2-SD 4.17Å; T384-M407 WeakPolarHBondContact OG1-CE 3.42Å; T384-T460 WeakPolarHBondContact CA-O 3.42Å; T384-M483 HydrophobicContact CG2-CE 3.83Å; T384-M483 HydrophobicContact CG2-SD 3.73Å; T384-M483 WeakPolarHBondContact OG1-CE 3.35Å
385	V	64	Low	61.3	Low	56 Å²	56	21.1 Å²	21.1	34%	0.339	12%	0.116	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	-55.3	177.6	-172.1	0	0	0	0	110	V309 S310 T460 V461	V309-V385 WeakPolarHBondContact CB-O 3.4Å; V309-V385 HydrophobicContact CG2-CG1 4.5Å; S310-V385 PolarHBondContact N-O 2.92Å; S310-V385 PolarHBondContact OG-O 2.9Å; V385-T460 PolarHBondContact N-O 2.87Å; V385-V461 HydrophobicContact CB-CG1 4.13Å; V385-V461 WeakPolarHBondContact CB-O 3.3Å; V385-V461 HydrophobicContact CG2-CG1 4Å; V385-V461 PolarHBondContact N-O 3.11Å
386	S	62.3	Low	60.8	Low	30 Å²	30	24.8 Å²	24.8	21%	0.21	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	138.2	178.6	-162.7	0	0	0	0	116.1	S310 V461 V463	S310-S386 WeakPolarHBondContact O-CA 3.5Å; S310-S386 WeakPolarHBondContact OG-CB 3.29Å; S310-S386 PolarHBondContact OG-OG 3Å; S386-V461 PolarHBondContact N-O 3.11Å; S386-V463 PolarHBondContact O-N 3.41Å
387	V	70.2	Confident	60.6	Low	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	102.3	162.8	-174.9	0	0	0	0	108.7	S310 V311 G312 T384 M407 V463 M483	S310-V387 PolarHBondContact O-N 2.91Å; V311-V387 WeakPolarHBondContact CA-O 3.38Å; V311-V387 HydrophobicContact CG2-CB 4.48Å; G312-V387 PolarHBondContact N-O 2.84Å; T384-V387 HydrophobicContact CG2-CG2 3.77Å; V387-M407 HydrophobicContact CG2-CB 4.31Å; V387-M407 HydrophobicContact CG2-CG 4.25Å; V387-M407 HydrophobicContact CG2-SD 3.94Å; V387-V463 WeakPolarHBondContact CA-O 3.23Å; V387-M483 HydrophobicContact CG1-CB 4.36Å; V387-M483 HydrophobicContact CG2-CB 4.02Å; V387-M483 HydrophobicContact CG2-CG 4.47Å; V387-M483 HydrophobicContact CG2-SD 3.58Å; V387-M483 VanDerWaalsContact CG2-SD 3.58Å
388	G	74.6	Confident	60.9	Low	11 Å²	11	26 Å²	26	11%	0.113	15%	0.15	C	C	.	.			trans	-120.3	168.4	-170.6	0	0	0	0	0	114.9	V463 A481	G388-V463 PolarHBondContact N-O 2.81Å; G388-A481 VanDerWaalsContact O-CB 3.27Å; G388-A481 WeakPolarHBondContact O-CB 3.24Å
389	L	77.7	Confident	61.5	Low	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.163	C	C	.	.			trans	-151.9	106.4	167.6	-173.7	159.9	0	0	0	108.6	L313 D314 H391 L403 A405 L465 L479 A481	L313-L389 HydrophobicContact CG-CB 4.41Å; L313-L389 HydrophobicContact CG-CD2 4.42Å; D314-L389 PolarHBondContact N-O 2.85Å; D314-L389 VanDerWaalsContact N-O 3.11Å; L389-H391 HydrophobicContact CD2-CB 3.99Å; L389-L403 HydrophobicContact CD2-CB 4.32Å; L389-L403 HydrophobicContact CD2-CD1 4.34Å; L389-A405 HydrophobicContact CB-CB 4.48Å; L389-L465 HydrophobicContact CG-CB 4.47Å; L389-L465 HydrophobicContact CG-CD2 4.23Å; L389-L479 HydrophobicContact CD1-CB 4.39Å; L389-A481 HydrophobicContact CB-CB 4.35Å; L389-A481 HydrophobicContact CD1-CB 4.43Å
390	D	74.3	Confident	62	Low	74 Å²	74	29.1 Å²	29.1	40%	0.396	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	104.2	-171.4	-81.4	38.1	0	0	0	109.7	L465 H467	D390-L465 PolarHBondContact N-O 3.49Å; D390-H467 PolarHBondContact O-N 3.3Å
391	H	73.4	Confident	62.9	Low	1 Å²	1	29.2 Å²	29.2	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	94.8	-173.9	-170.7	-64.2	0	0	0	112.4	D314 H315 T316 L389 E393 K401 L403 H467 L479	D314-H391 PolarHBondContact O-N 3.04Å; H315-H391 AromaticContact CE1-ND1 3.35Å; H315-H391 PolarHBondContact CE1-ND1 3.46Å; H315-H391 AromaticContact ND1-CG 3.9Å; H315-H391 AromaticContact ND1-ND1 3.49Å; H315-H391 PolarHBondContact ND1-ND1 2.94Å; H315-H391 PolarHBondContact ND1-O 2.92Å; T316-H391 PolarHBondContact N-O 3.05Å; L389-H391 HydrophobicContact CD2-CB 3.99Å; H391-E393 IonicContact CE1-OE2 2.79Å; H391-E393 PolarHBondContact CE1-OE2 3.08Å; H391-E393 IonicContact ND1-OE2 2.66Å; H391-E393 IonicContact NE2-OE2 3.13Å; H391-K401 PolarHBondContact CE1-NZ 2.67Å; H391-K401 PolarHBondContact NE2-NZ 2.71Å; H391-L403 HydrophobicContact CB-CD1 3.75Å; H391-H467 AromaticContact CD2-CG 3.98Å; H391-H467 AromaticContact CD2-ND1 3.35Å; H391-H467 PolarHBondContact CD2-ND1 3.05Å; H391-H467 VanDerWaalsContact CD2-ND1 3.35Å; H391-H467 AromaticContact CE1-ND1 3.84Å; H391-H467 AromaticContact NE2-CE1 3.67Å; H391-H467 AromaticContact NE2-ND1 2.96Å; H391-H467 PolarHBondContact NE2-ND1 2.93Å; H391-L479 VanDerWaalsContact CD2-CD1 3.49Å; H391-L479 WeakPolarHBondContact CD2-CD1 3.35Å
392	T	70.1	Confident	63.9	Low	36 Å²	36	31.6 Å²	31.6	22%	0.221	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	109.3	172	-72.8	0	0	0	0	111.3	T316 K394 H467 E469	T316-T392 WeakPolarHBondContact O-CA 3.32Å; T392-K394 HydrophobicContact CG2-CD 4.3Å; T392-K394 HydrophobicContact CG2-CG 4.28Å; T392-H467 PolarHBondContact N-O 2.92Å; T392-H467 VanDerWaalsContact N-O 3.1Å; T392-E469 PolarHBondContact O-N 3.08Å
393	E	65.6	Low	64.7	Low	0 Å²	0	31.5 Å²	31.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	128	178.3	-153.5	158.3	111.8	0	0	111.9	H315 T316 K318 L322 K325 H391 L398 K401	H315-E393 IonicContact CE1-OE2 3.12Å; T316-E393 PolarHBondContact O-N 3.11Å; K318-E393 PolarHBondContact N-O 3.13Å; L322-E393 WeakPolarHBondContact CD2-OE1 3.4Å; K325-E393 IonicContact NZ-OE1 3.62Å; K325-E393 PolarHBondContact NZ-OE1 2.83Å; K325-E393 IonicContact NZ-OE2 3.96Å; K325-E393 PolarHBondContact NZ-OE2 2.91Å; H391-E393 IonicContact CE1-OE2 2.79Å; H391-E393 PolarHBondContact CE1-OE2 3.08Å; H391-E393 IonicContact ND1-OE2 2.66Å; H391-E393 IonicContact NE2-OE2 3.13Å; E393-L398 HydrophobicContact CG-CD1 3.93Å; E393-L398 WeakPolarHBondContact OE1-CD1 3.21Å; E393-L398 WeakPolarHBondContact OE2-CD1 3.44Å; E393-K401 IonicContact OE2-NZ 3.9Å; E393-K401 PolarHBondContact OE2-NZ 3.23Å
394	K	64.7	Low	65.4	Low	107 Å²	107	32.1 Å²	32.1	47%	0.465	19%	0.192	S	C	.	.			trans	-125.8	11	178.8	-65.6	166.2	179.8	154.8	0	112.6	T392	T392-K394 HydrophobicContact CG2-CD 4.3Å; T392-K394 HydrophobicContact CG2-CG 4.28Å
395	S	59.3	Low	66	Low	7 Å²	7	32.1 Å²	32.1	5%	0.049	19%	0.192	C	C	.	.			trans	-112.7	142.1	-171.1	-63.9	0	0	0	0	112	S319 S397 S471	S319-S395 WeakPolarHBondContact CB-O 3.38Å; S319-S395 PolarHBondContact OG-N 2.92Å; S319-S395 PolarHBondContact OG-O 3.44Å; S319-S395 VanDerWaalsContact OG-O 3.14Å; S395-S397 PolarHBondContact O-N 3.39Å; S395-S471 WeakPolarHBondContact CB-O 3.15Å; S395-S471 PolarHBondContact OG-O 3.01Å
396	P	47.9	Very low	66.5	Low	82 Å²	82	29.9 Å²	29.9	53%	0.532	18%	0.179	S	C	.	.	S	Bend	trans	-90.9	10.4	-157.5	-10.7	30.8	0	0	0	117.8
397	S	50.4	Low	67.1	Low	68 Å²	68	28.5 Å²	28.5	48%	0.476	17%	0.169	S	C	.	.			trans	-166.6	102.4	-174.2	60.7	0	0	0	0	113.6	S395	S395-S397 PolarHBondContact O-N 3.39Å
398	L	52.1	Low	67.2	Low	2 Å²	2	33.3 Å²	33.3	1%	0.01	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	128.8	-179.8	-71	170.2	0	0	0	112.9	L322 E393 K401 L474	L322-L398 HydrophobicContact CD2-CB 4.34Å; E393-L398 HydrophobicContact CG-CD1 3.93Å; E393-L398 WeakPolarHBondContact OE1-CD1 3.21Å; E393-L398 WeakPolarHBondContact OE2-CD1 3.44Å; L398-K401 HydrophobicContact CD1-CD 4.23Å; L398-K401 VanDerWaalsContact CD1-NZ 3.33Å; L398-L474 HydrophobicContact CD2-CB 3.87Å
399	V	56	Low	66.8	Low	76 Å²	76	33 Å²	33	46%	0.461	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	135.3	-176.2	-179.9	0	0	0	0	110	V323 G476	V323-V399 HydrophobicContact CB-CG2 4.44Å; V323-V399 WeakPolarHBondContact O-CA 3.43Å; V399-G476 PolarHBondContact O-N 3.35Å; V399-G476 VanDerWaalsContact O-N 3.09Å
400	G	64.2	Low	66	Low	34 Å²	34	34.8 Å²	34.8	35%	0.351	20%	0.195	S	C	.	.	S	Bend	trans	73.7	23.3	170.7	0	0	0	0	0	116.3	V323 G324 G476	V323-G400 PolarHBondContact O-N 3.09Å; G324-G400 WeakPolarHBondContact O-CA 3.22Å; G400-G476 WeakPolarHBondContact O-CA 3.26Å
401	K	64.4	Low	65.2	Low	6 Å²	6	31.8 Å²	31.8	3%	0.026	18%	0.179	C	C	.	.			trans	-72.8	133.8	169.8	-85.5	-176.7	170.9	-179.8	0	110.9	K325 K326 H391 E393 L398 E469 K477	K325-K401 WeakPolarHBondContact CA-O 3.35Å; K325-K401 HydrophobicContact CD-CB 4.4Å; K325-K401 HydrophobicContact CG-CB 4.16Å; K326-K401 PolarHBondContact N-O 3.27Å; H391-K401 PolarHBondContact CE1-NZ 2.67Å; H391-K401 PolarHBondContact NE2-NZ 2.71Å; E393-K401 IonicContact OE2-NZ 3.9Å; E393-K401 PolarHBondContact OE2-NZ 3.23Å; L398-K401 HydrophobicContact CD1-CD 4.23Å; L398-K401 VanDerWaalsContact CD1-NZ 3.33Å; K401-E469 IonicContact NZ-OE2 2.99Å; K401-E469 PolarHBondContact NZ-OE2 2.96Å; K401-K477 WeakPolarHBondContact CA-O 2.98Å; K401-K477 HydrophobicContact CB-CG 4.36Å
402	K	71.7	Confident	64	Low	55.5 Å²	55.5	35.7 Å²	35.7	24%	0.241	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	123.6	163.1	-169.7	-169.6	-178	-166.6	0	110.2	K326 K477 K478 L479	K326-K402 HydrophobicContact CB-CG 4.27Å; K326-K402 HydrophobicContact CG-CG 4.37Å; K326-K402 WeakPolarHBondContact O-CA 3.3Å; K402-K477 PolarHBondContact N-O 3Å; K402-K477 VanDerWaalsContact N-O 3.08Å; K402-K478 HydrophobicContact CB-CG 4.34Å; K402-K478 HydrophobicContact CG-CB 4.46Å; K402-K478 WeakPolarHBondContact CG-O 3.36Å; K402-K478 WeakPolarHBondContact O-CA 3.36Å; K402-L479 PolarHBondContact O-N 2.84Å
403	L	74.8	Confident	62.9	Low	0.5 Å²	0.5	34.5 Å²	34.5	0%	0.003	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	131.8	170.6	-58.8	169	0	0	0	108.7	L313 K326 L327 Q328 L389 H391 L465 K478 L479 Q480	L313-L403 HydrophobicContact CD1-CB 3.99Å; L313-L403 HydrophobicContact CD2-CB 4.36Å; L313-L403 HydrophobicContact CD2-CD1 4.29Å; K326-L403 PolarHBondContact O-N 3.37Å; L327-L403 HydrophobicContact CD2-CB 3.76Å; L327-L403 HydrophobicContact CD2-CD1 3.7Å; L327-L403 HydrophobicContact CD2-CG 3.8Å; Q328-L403 PolarHBondContact N-O 3.28Å; Q328-L403 VanDerWaalsContact N-O 3.11Å; L389-L403 HydrophobicContact CD2-CB 4.32Å; L389-L403 HydrophobicContact CD2-CD1 4.34Å; H391-L403 HydrophobicContact CB-CD1 3.75Å; L403-L465 HydrophobicContact CB-CD1 4.01Å; L403-K478 PolarHBondContact N-O 2.84Å; L403-L479 HydrophobicContact CB-CD2 3.92Å; L403-L479 HydrophobicContact CD1-CD2 3.62Å; L403-L479 HydrophobicContact CD2-CB 3.84Å; L403-L479 HydrophobicContact CD2-CD1 3.73Å; L403-L479 HydrophobicContact CD2-CG 4.01Å; L403-L479 HydrophobicContact CG-CD2 4.36Å; L403-Q480 PolarHBondContact O-N 3.29Å
404	Q	74.3	Confident	61.4	Low	26.5 Å²	26.5	37.7 Å²	37.7	12%	0.124	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	115.8	-177.4	-177.4	174.8	-10.1	0	0	112.3	Q328 T406 L479 Q480 A481	Q328-Q404 HydrophobicContact CB-CG 4.4Å; Q328-Q404 VanDerWaalsContact O-CA 3.31Å; Q328-Q404 WeakPolarHBondContact O-CA 3.09Å; Q404-T406 WeakPolarHBondContact CG-OG1 3.33Å; Q404-T406 PolarHBondContact NE2-OG1 3.2Å; Q404-L479 PolarHBondContact N-O 2.83Å; Q404-Q480 WeakPolarHBondContact CA-O 3.38Å; Q404-Q480 HydrophobicContact CB-CG 4.46Å; Q404-Q480 VanDerWaalsContact O-CA 3.29Å; Q404-Q480 WeakPolarHBondContact O-CA 3.26Å; Q404-A481 PolarHBondContact O-N 2.87Å
405	A	73.8	Confident	60	Low	1 Å²	1	35 Å²	35	1%	0.008	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	137.6	164	0	0	0	0	0	109	G312 Q328 T330 L389 Q480 T482	G312-A405 WeakPolarHBondContact O-CB 3.46Å; Q328-A405 PolarHBondContact O-N 2.9Å; T330-A405 PolarHBondContact N-O 3.14Å; T330-A405 VanDerWaalsContact N-O 3.13Å; L389-A405 HydrophobicContact CB-CB 4.48Å; A405-Q480 PolarHBondContact N-O 2.97Å; A405-T482 PolarHBondContact O-N 3.35Å; A405-T482 VanDerWaalsContact O-N 3.14Å
406	T	74.5	Confident	58.8	Low	9.5 Å²	9.5	38.7 Å²	38.7	6%	0.058	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	118.8	179.2	-63.7	0	0	0	0	112.3	T330 Q404 R408 A481 T482 M483	T330-T406 VanDerWaalsContact O-CA 3.29Å; T330-T406 WeakPolarHBondContact O-CA 3.29Å; Q404-T406 WeakPolarHBondContact CG-OG1 3.33Å; Q404-T406 PolarHBondContact NE2-OG1 3.2Å; T406-R408 HydrophobicContact CG2-CG 4.25Å; T406-A481 PolarHBondContact N-O 3.39Å; T406-T482 VanDerWaalsContact CA-O 3.29Å; T406-T482 WeakPolarHBondContact CA-O 3.32Å; T406-T482 VanDerWaalsContact O-CA 3.25Å; T406-T482 WeakPolarHBondContact O-CA 3.12Å; T406-M483 PolarHBondContact O-N 3.36Å
407	M	75.5	Confident	57.9	Low	2 Å²	2	38.2 Å²	38.2	1%	0.01	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	135	171.3	-173.1	172.7	175.9	0	0	109.5	T308 V311 T330 R332 T384 V387 Q409 T460 T482 R484	T308-M407 HydrophobicContact CG2-CE 3.89Å; T308-M407 HydrophobicContact CG2-SD 3.65Å; T308-M407 WeakPolarHBondContact OG1-CE 3.09Å; V311-M407 HydrophobicContact CG1-CB 4.36Å; V311-M407 HydrophobicContact CG2-CB 3.95Å; V311-M407 HydrophobicContact CG2-CG 4.47Å; V311-M407 HydrophobicContact CG2-SD 3.59Å; V311-M407 VanDerWaalsContact CG2-SD 3.59Å; T330-M407 PolarHBondContact O-N 3.32Å; R332-M407 PolarHBondContact N-O 3.17Å; T384-M407 HydrophobicContact CG2-CE 3.8Å; T384-M407 HydrophobicContact CG2-SD 4.17Å; T384-M407 WeakPolarHBondContact OG1-CE 3.42Å; V387-M407 HydrophobicContact CG2-CB 4.31Å; V387-M407 HydrophobicContact CG2-CG 4.25Å; V387-M407 HydrophobicContact CG2-SD 3.94Å; M407-Q409 VanDerWaalsContact CE-CD 3.44Å; M407-Q409 HydrophobicContact CE-CG 4.28Å; M407-T460 HydrophobicContact CE-CG2 4.5Å; M407-T460 HydrophobicContact SD-CG2 4.16Å; M407-T482 PolarHBondContact N-O 3.36Å; M407-R484 PolarHBondContact O-N 2.82Å
408	R	71.9	Confident	56.8	Low	101 Å²	101	38 Å²	38	38%	0.381	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	122.2	169.7	-69.3	-172	177.4	-150.7	1.5	109.5	R332 T406 M483 R484 Q485	R332-R408 HydrophobicContact CB-CG 4.43Å; R332-R408 WeakPolarHBondContact O-CA 3.14Å; T406-R408 HydrophobicContact CG2-CG 4.25Å; R408-M483 PolarHBondContact N-O 3.22Å; R408-R484 WeakPolarHBondContact CA-O 3.33Å; R408-R484 HydrophobicContact CB-CG 4.47Å; R408-R484 HydrophobicContact CG-CB 4.26Å; R408-R484 WeakPolarHBondContact O-CA 3.46Å; R408-Q485 PolarHBondContact O-N 2.84Å
409	Q	66.5	Low	55.7	Low	4.5 Å²	4.5	40.6 Å²	40.6	2%	0.021	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	134	162.9	-86.1	166.4	-24.2	0	0	108	F306 R332 Q333 S334 M407 F458 R484 Q485 S486	F306-Q409 HydrophobicContact CE1-CB 4.43Å; R332-Q409 PolarHBondContact O-N 3.01Å; Q333-Q409 WeakPolarHBondContact CA-O 2.81Å; Q333-Q409 HydrophobicContact CG-CB 4.09Å; S334-Q409 PolarHBondContact N-O 3.06Å; S334-Q409 VanDerWaalsContact N-O 3.07Å; M407-Q409 VanDerWaalsContact CE-CD 3.44Å; M407-Q409 HydrophobicContact CE-CG 4.28Å; Q409-F458 HydrophobicContact CB-CE1 4.33Å; Q409-F458 HydrophobicContact CG-CE1 4.35Å; Q409-R484 PolarHBondContact N-O 2.83Å; Q409-Q485 WeakPolarHBondContact CA-O 3.45Å; Q409-Q485 HydrophobicContact CB-CG 3.92Å; Q409-Q485 HydrophobicContact CG-CB 4Å; Q409-Q485 WeakPolarHBondContact O-CA 3.28Å; Q409-S486 PolarHBondContact O-N 3.02Å
410	S	61.8	Low	54.5	Low	37 Å²	37	39 Å²	39	26%	0.259	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	134.6	170.6	52.7	0	0	0	0	109.9	S334 Q485 S486 V487	S334-S410 VanDerWaalsContact O-CA 3.31Å; S334-S410 WeakPolarHBondContact O-CA 3.49Å; S410-Q485 PolarHBondContact N-O 2.84Å; S410-S486 WeakPolarHBondContact CA-O 3.36Å; S410-S486 VanDerWaalsContact O-CA 3.28Å; S410-S486 WeakPolarHBondContact O-CA 3.47Å; S410-V487 PolarHBondContact O-N 3.46Å
411	V	57.1	Low	52.9	Low	10.5 Å²	10.5	40.4 Å²	40.4	6%	0.064	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	121.6	170.1	176.9	0	0	0	0	106.7	F306 S334 V335 E336 F382 N413 P420 S486 V487 E488	F306-V411 HydrophobicContact CE1-CG2 4.03Å; F306-V411 HydrophobicContact CZ-CB 4.33Å; F306-V411 HydrophobicContact CZ-CG2 3.63Å; S334-V411 PolarHBondContact O-N 3.24Å; V335-V411 WeakPolarHBondContact CA-O 3.36Å; V335-V411 HydrophobicContact CG2-CB 4.39Å; E336-V411 PolarHBondContact N-O 3.31Å; F382-V411 HydrophobicContact CE2-CG2 4Å; V411-N413 WeakPolarHBondContact CG1-OD1 3.41Å; V411-P420 HydrophobicContact CG1-CB 4.1Å; V411-S486 PolarHBondContact N-O 2.86Å; V411-V487 HydrophobicContact CG2-CB 4.39Å; V411-V487 HydrophobicContact CG2-CG2 4.28Å; V411-E488 PolarHBondContact O-N 2.96Å
412	E	47.5	Very low	51.4	Low	84 Å²	84	42.4 Å²	42.4	39%	0.393	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	103.1	-172.7	-157.5	166.4	157.6	0	0	107.7	V487 N489	E412-V487 PolarHBondContact N-O 3.21Å; E412-N489 PolarHBondContact O-N 2.67Å
413	N	46.8	Very low	49.4	Very low	11.5 Å²	11.5	43.1 Å²	43.1	6%	0.061	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	108.3	-173.7	-72.5	-26	0	0	0	109.1	E336 N337 T338 V411 T418 D419 E488 N489 T490	E336-N413 PolarHBondContact O-N 3.5Å; N337-N413 WeakPolarHBondContact OD1-CB 3.41Å; N337-N413 PolarHBondContact OD1-ND2 2.97Å; T338-N413 PolarHBondContact N-O 3.18Å; V411-N413 WeakPolarHBondContact CG1-OD1 3.41Å; N413-T418 HydrophobicContact CB-CG2 3.71Å; N413-D419 PolarHBondContact OD1-O 2.9Å; N413-E488 PolarHBondContact N-O 3.11Å; N413-N489 PolarHBondContact ND2-OD1 2.81Å; N413-N489 PolarHBondContact OD1-ND2 3.07Å; N413-T490 PolarHBondContact O-N 2.84Å
414	T	33.7	Very low	47.3	Very low	65.5 Å²	65.5	45 Å²	45	40%	0.402	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	105.5	176.9	-61.4	0	0	0	0	109.7	T416 N489	T414-T416 HydrophobicContact CG2-CG2 4.13Å; T414-T416 PolarHBondContact O-N 3.42Å; T414-N489 PolarHBondContact N-O 3.16Å
415	S	36	Very low	45.2	Very low	52 Å²	52	47.9 Å²	47.9	36%	0.364	27%	0.271	S	S	.	.			trans	-102.1	118.8	179.4	-172.2	0	0	0	0	110.8	T338 S339 Q417 T418 T492	T338-S415 PolarHBondContact O-N 3.08Å; S339-S415 VanDerWaalsContact OG-CB 3.28Å; S339-S415 WeakPolarHBondContact OG-CB 3.36Å; S339-S415 PolarHBondContact OG-OG 3.1Å; S415-Q417 WeakPolarHBondContact OG-CA 3.04Å; S415-Q417 PolarHBondContact OG-N 3.2Å; S415-T418 PolarHBondContact OG-N 2.99Å; S415-T418 PolarHBondContact OG-OG1 3.1Å; S415-T492 PolarHBondContact O-OG1 2.84Å
416	T	34.5	Very low	43.3	Very low	83 Å²	83	50.2 Å²	50.2	51%	0.509	29%	0.285	S	S	.	.	S	Bend	trans	-109	110.9	158.9	42.5	0	0	0	0	111.1	T414 S491	T414-T416 HydrophobicContact CG2-CG2 4.13Å; T414-T416 PolarHBondContact O-N 3.42Å; T416-S491 WeakPolarHBondContact O-CB 3.46Å; T416-S491 PolarHBondContact OG1-O 3.18Å; T416-S491 VanDerWaalsContact OG1-O 3.08Å
417	Q	27.7	Very low	41.5	Very low	72.5 Å²	72.5	55.8 Å²	55.8	34%	0.339	32%	0.318	S	S	.	.			trans	21.9	113.5	179.3	-172.8	-177.2	-12.3	0	0	115.8	V372 S415 S491	V372-Q417 HydrophobicContact CG1-CG 4.42Å; V372-Q417 HydrophobicContact CG2-CB 4.42Å; S415-Q417 WeakPolarHBondContact OG-CA 3.04Å; S415-Q417 PolarHBondContact OG-N 3.2Å; Q417-S491 WeakPolarHBondContact O-CB 3.5Å; Q417-S491 PolarHBondContact O-OG 2.73Å
418	T	28.4	Very low	39.8	Very low	62.5 Å²	62.5	58.1 Å²	58.1	38%	0.383	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-61.4	135.2	162.8	-22.1	0	0	0	0	113.5	R379 N413 S415	R379-T418 PolarHBondContact NH2-OG1 3.19Å; N413-T418 HydrophobicContact CB-CG2 3.71Å; S415-T418 PolarHBondContact OG-N 2.99Å; S415-T418 PolarHBondContact OG-OG1 3.1Å
419	D	29.1	Very low	38.6	Very low	57.5 Å²	57.5	54.6 Å²	54.6	31%	0.307	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-87.5	146.3	156.8	-90.2	-35.1	0	0	0	110.3	N413 Q455 N489 T494 N565	N413-D419 PolarHBondContact OD1-O 2.9Å; D419-Q455 PolarHBondContact OD1-NE2 3.1Å; D419-Q455 PolarHBondContact OD1-OE1 3.01Å; D419-N489 VanDerWaalsContact C-CG 3.41Å; D419-N489 HydrophobicContact CB-CB 3.83Å; D419-N489 WeakPolarHBondContact CB-OD1 3.37Å; D419-N489 WeakPolarHBondContact O-CB 3.38Å; D419-N489 PolarHBondContact O-ND2 2.91Å; D419-N489 VanDerWaalsContact O-ND2 3.11Å; D419-T494 WeakPolarHBondContact OD2-CG2 3.42Å; D419-N565 HydrophobicContact CB-CB 4.49Å; D419-N565 VanDerWaalsContact CG-ND2 3.27Å; D419-N565 WeakPolarHBondContact OD2-CB 3.42Å; D419-N565 PolarHBondContact OD2-ND2 3.42Å
420	P	29.9	Very low	38	Very low	41.5 Å²	41.5	58.5 Å²	58.5	27%	0.269	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-113.9	146.4	150.2	33.2	-28.7	0	0	0	113	P304 R379 P380 V411 A422 N489	P304-P420 HydrophobicContact CG-CB 4.45Å; P304-P420 HydrophobicContact CG-CG 3.7Å; R379-P420 HydrophobicContact CB-CG 4.28Å; R379-P420 VanDerWaalsContact CD-CD 3.42Å; P380-P420 VanDerWaalsContact CD-O 3.23Å; P380-P420 WeakPolarHBondContact CD-O 3.37Å; P380-P420 HydrophobicContact CG-CG 4.49Å; V411-P420 HydrophobicContact CG1-CB 4.1Å; P420-A422 PolarHBondContact O-N 3.12Å; P420-A422 VanDerWaalsContact O-N 3.13Å; P420-N489 WeakPolarHBondContact CA-ND2 2.98Å; P420-N489 WeakPolarHBondContact CB-ND2 3.28Å
421	M	30.6	Very low	38.1	Very low	64 Å²	64	58 Å²	58	32%	0.315	33%	0.333	S	S	.	.			trans	-99.3	139.9	166.3	-79.8	-169.2	51.5	0	0	116.8	P380 Q423 Q455 P456 V457 F458	P380-M421 VanDerWaalsContact CB-CA 3.43Å; P380-M421 HydrophobicContact CB-CB 3.83Å; P380-M421 HydrophobicContact CB-CE 4.02Å; P380-M421 HydrophobicContact CB-CG 3.7Å; P380-M421 HydrophobicContact CB-SD 4.48Å; P380-M421 HydrophobicContact CG-CB 4.41Å; P380-M421 HydrophobicContact CG-CG 4.22Å; M421-Q423 PolarHBondContact O-N 3.18Å; M421-Q423 VanDerWaalsContact O-N 3.1Å; M421-Q455 HydrophobicContact CB-CB 3.87Å; M421-Q455 HydrophobicContact CB-CG 4.47Å; M421-Q455 WeakPolarHBondContact CE-O 3.38Å; M421-Q455 HydrophobicContact CG-CB 3.47Å; M421-Q455 VanDerWaalsContact CG-CB 3.47Å; M421-Q455 HydrophobicContact CG-CG 3.65Å; M421-Q455 WeakPolarHBondContact SD-CA 3.42Å; M421-Q455 HydrophobicContact SD-CB 3.38Å; M421-Q455 WeakPolarHBondContact SD-CB 3.39Å; M421-Q455 HydrophobicContact SD-CG 3.64Å; M421-Q455 PolarHBondContact SD-N 3.2Å; M421-Q455 VanDerWaalsContact SD-N 3.38Å; M421-P456 CarbonylContact C-O 3.54Å; M421-P456 HydrophobicContact CB-CG 4.35Å; M421-P456 WeakPolarHBondContact CB-O 3.22Å; M421-V457 HydrophobicContact CE-CB 3.97Å; M421-V457 HydrophobicContact CE-CG1 3.54Å; M421-V457 HydrophobicContact CE-CG2 3.89Å; M421-F458 VanDerWaalsContact O-CE2 3.23Å; M421-F458 WeakPolarHBondContact O-CE2 3.24Å
422	A	34.3	Very low	38.8	Very low	48 Å²	48	58.6 Å²	58.6	40%	0.397	34%	0.337	S	S	.	.			trans	-126.4	140.9	178.9	0	0	0	0	0	112.5	P380 V381 F382 P420 P456 V457 F458	P380-A422 HydrophobicContact CB-CB 4.19Å; P380-A422 WeakPolarHBondContact CB-O 3.46Å; V381-A422 VanDerWaalsContact C-C 3.43Å; V381-A422 CarbonylContact C-O 3.57Å; V381-A422 PolarHBondContact N-O 3.03Å; V381-A422 CarbonylContact O-C 3.43Å; V381-A422 VanDerWaalsContact O-CA 3.32Å; V381-A422 WeakPolarHBondContact O-CA 3.41Å; V381-A422 WeakPolarHBondContact O-CB 3.36Å; V381-A422 VanDerWaalsContact O-O 3.08Å; F382-A422 HydrophobicContact CB-CB 3.99Å; F382-A422 HydrophobicContact CD1-CB 3.41Å; F382-A422 VanDerWaalsContact CD1-CB 3.41Å; F382-A422 HydrophobicContact CD2-CB 3.28Å; F382-A422 HydrophobicContact CE1-CB 3.52Å; F382-A422 HydrophobicContact CE2-CB 3.43Å; F382-A422 VanDerWaalsContact CE2-CB 3.43Å; F382-A422 HydrophobicContact CG-CB 3.26Å; F382-A422 HydrophobicContact CZ-CB 3.54Å; P420-A422 PolarHBondContact O-N 3.12Å; P420-A422 VanDerWaalsContact O-N 3.13Å; A422-P456 PolarHBondContact N-O 3.34Å; A422-V457 WeakPolarHBondContact O-CA 3.21Å; A422-V457 WeakPolarHBondContact O-CG1 3.18Å; A422-F458 HydrophobicContact CB-CB 3.97Å; A422-F458 HydrophobicContact CB-CD2 4.13Å; A422-F458 HydrophobicContact CB-CG 4.17Å
423	Q	29.3	Very low	40.3	Very low	71 Å²	71	55.7 Å²	55.7	33%	0.332	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-107.9	145.1	-175.6	-111.3	175.4	18.2	0	0	115.3	V381 F382 H383 M421 V457 F458 H459 V500 T502	V381-Q423 VanDerWaalsContact C-N 3.3Å; V381-Q423 PolarHBondContact O-N 2.97Å; F382-Q423 CarbonylContact C-O 3.33Å; F382-Q423 WeakPolarHBondContact CA-O 3.2Å; F382-Q423 PolarHBondContact N-O 3.03Å; H383-Q423 VanDerWaalsContact CA-O 3.23Å; H383-Q423 WeakPolarHBondContact CA-O 3.33Å; H383-Q423 WeakPolarHBondContact CB-O 3.02Å; H383-Q423 PolarHBondContact N-O 3.33Å; H383-Q423 VanDerWaalsContact ND1-C 3.34Å; H383-Q423 PolarHBondContact ND1-O 3.01Å; H383-Q423 VanDerWaalsContact ND1-O 3.14Å; M421-Q423 PolarHBondContact O-N 3.18Å; M421-Q423 VanDerWaalsContact O-N 3.1Å; Q423-V457 VanDerWaalsContact CB-C 3.47Å; Q423-V457 HydrophobicContact CB-CB 3.67Å; Q423-V457 HydrophobicContact CB-CG1 3.46Å; Q423-V457 VanDerWaalsContact CB-CG1 3.46Å; Q423-V457 VanDerWaalsContact CD-CB 3.46Å; Q423-V457 HydrophobicContact CG-CB 3.73Å; Q423-V457 HydrophobicContact CG-CG1 3.41Å; Q423-V457 VanDerWaalsContact CG-CG1 3.41Å; Q423-V457 PolarHBondContact OE1-O 3.1Å; Q423-V457 VanDerWaalsContact OE1-O 3.04Å; Q423-F458 WeakPolarHBondContact CA-O 3.48Å; Q423-F458 VanDerWaalsContact CB-C 3.47Å; Q423-F458 VanDerWaalsContact CB-N 3.28Å; Q423-F458 VanDerWaalsContact CB-O 3.31Å; Q423-F458 WeakPolarHBondContact CB-O 3.46Å; Q423-F458 PolarHBondContact N-O 3.48Å; Q423-H459 PolarHBondContact OE1-CE1 3.08Å; Q423-H459 PolarHBondContact OE1-ND1 3.28Å; Q423-V500 PolarHBondContact NE2-O 3.03Å; Q423-V500 PolarHBondContact OE1-O 2.81Å; Q423-T502 WeakPolarHBondContact CG-OG1 3.27Å; Q423-T502 PolarHBondContact NE2-OG1 2.84Å
424	V	30	Very low	41.9	Very low	40 Å²	40	58.4 Å²	58.4	24%	0.242	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-127.8	147.9	-175.8	158.4	0	0	0	0	110.2	V305 H307 V381 F382 H383 T426 T502	V305-V424 HydrophobicContact CG1-CG1 4.03Å; H307-V424 HydrophobicContact CB-CB 4.49Å; H307-V424 HydrophobicContact CB-CG1 4.39Å; H307-V424 HydrophobicContact CB-CG2 3.27Å; V381-V424 HydrophobicContact CB-CB 3.62Å; V381-V424 HydrophobicContact CB-CG1 4.14Å; V381-V424 VanDerWaalsContact CB-N 3.33Å; V381-V424 HydrophobicContact CG1-CB 3.43Å; V381-V424 VanDerWaalsContact CG1-CB 3.43Å; V381-V424 HydrophobicContact CG1-CG1 3.35Å; F382-V424 VanDerWaalsContact C-CG2 3.45Å; F382-V424 WeakPolarHBondContact O-CG2 3.42Å; H383-V424 HydrophobicContact CB-CG2 4.43Å; H383-V424 WeakPolarHBondContact CE1-CA 2.96Å; H383-V424 WeakPolarHBondContact ND1-CA 3.49Å; H383-V424 PolarHBondContact ND1-N 2.97Å; V424-T426 VanDerWaalsContact C-N 3.27Å; V424-T426 PolarHBondContact O-N 2.97Å; V424-T426 VanDerWaalsContact O-N 3.15Å; V424-T502 PolarHBondContact O-OG1 2.58Å
425	P	30.9	Very low	43.9	Very low	88 Å²	88	56.8 Å²	56.8	57%	0.571	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-77.6	88.7	-171.1	4.1	6.6	0	0	0	112.6	H383	H383-P425 WeakPolarHBondContact NE2-CD 3.24Å; H383-P425 VanDerWaalsContact NE2-CG 3.33Å; H383-P425 WeakPolarHBondContact NE2-CG 3.13Å
426	T	33.2	Very low	45.9	Very low	49 Å²	49	54.6 Å²	54.6	30%	0.301	31%	0.312	S	S	.	.			trans	-89.1	132.9	170.1	-55	0	0	0	0	109.5	L352 V424 L428	L352-T426 HydrophobicContact CD1-CG2 3.58Å; L352-T426 HydrophobicContact CG-CG2 4Å; V424-T426 VanDerWaalsContact C-N 3.27Å; V424-T426 PolarHBondContact O-N 2.97Å; V424-T426 VanDerWaalsContact O-N 3.15Å; T426-L428 PolarHBondContact O-N 3.14Å
427	V	35.9	Very low	47.9	Very low	126.5 Å²	126.5	52 Å²	52	77%	0.767	30%	0.296	S	S	*	.			trans	-85.7	100.3	172.6	-179.1	0	0	0	0	108.3
428	L	41.5	Very low	50.2	Low	51 Å²	51	50.3 Å²	50.3	27%	0.267	29%	0.288	S	S	.	.			trans	-73.9	141.1	-177	-73.5	159	0	0	0	111.8	L352 T426 T502 P505	L352-L428 HydrophobicContact CD1-CD2 4.4Å; T426-L428 PolarHBondContact O-N 3.14Å; L428-T502 HydrophobicContact CD1-CG2 3.9Å; L428-P505 HydrophobicContact CB-CB 3.98Å; L428-P505 HydrophobicContact CB-CG 4.16Å; L428-P505 HydrophobicContact CD1-CG 4.38Å; L428-P505 WeakPolarHBondContact O-CG 3.37Å
429	P	46.5	Very low	52.3	Low	26.5 Å²	26.5	49.1 Å²	49.1	17%	0.172	28%	0.283	C	S	.	.			trans	-77.2	151.1	179.3	33	-35.5	0	0	0	111.6	L352 P353 T431 P505	L352-P429 HydrophobicContact CB-CB 4.02Å; L352-P429 HydrophobicContact CB-CG 3.95Å; L352-P429 HydrophobicContact CD1-CG 4.32Å; P353-P429 VanDerWaalsContact O-CB 3.29Å; P353-P429 WeakPolarHBondContact O-CB 3.38Å; P429-T431 PolarHBondContact O-N 3.18Å; P429-P505 VanDerWaalsContact O-CB 3.24Å; P429-P505 WeakPolarHBondContact O-CB 3.22Å
430	K	52.3	Low	54.3	Low	86.5 Å²	86.5	47 Å²	47	38%	0.376	27%	0.274	S	S	.	.			trans	-74.3	95.9	175.5	-173	-155.5	173.3	-172.2	0	111.8	K354 T432 P505 K506 T508	K354-K430 WeakPolarHBondContact CE-O 3.46Å; K354-K430 HydrophobicContact CG-CB 4.37Å; K354-K430 WeakPolarHBondContact CG-O 3.3Å; K430-T432 HydrophobicContact CD-CG2 3.68Å; K430-T432 VanDerWaalsContact CE-CG2 3.43Å; K430-P505 HydrophobicContact CB-CB 4.48Å; K430-K506 WeakPolarHBondContact CD-O 3.09Å; K430-K506 WeakPolarHBondContact CE-O 2.93Å; K430-K506 WeakPolarHBondContact CG-O 3.23Å; K430-T508 VanDerWaalsContact NZ-CG2 3.34Å; K430-T508 PolarHBondContact NZ-OG1 3.1Å
431	T	64.9	Low	56.5	Low	26.5 Å²	26.5	46 Å²	46	16%	0.163	27%	0.268	C	S	.	.			trans	-72.7	159.2	169.4	-7.4	0	0	0	0	111.7	F357 P429 F433	F357-T431 HydrophobicContact CD2-CG2 4.41Å; F357-T431 HydrophobicContact CE2-CG2 4.4Å; P429-T431 PolarHBondContact O-N 3.18Å; T431-F433 HydrophobicContact CG2-CD2 4.16Å; T431-F433 HydrophobicContact CG2-CE2 3.46Å; T431-F433 VanDerWaalsContact CG2-CE2 3.46Å; T431-F433 HydrophobicContact CG2-CZ 4.1Å
432	T	71.9	Confident	58.6	Low	24.5 Å²	24.5	44.3 Å²	44.3	15%	0.15	26%	0.26	C	S	.	.			trans	-146.4	138.2	176.7	16.5	0	0	0	0	108.4	K354 T356 F357 K430 T508	K354-T432 VanDerWaalsContact NZ-CG2 3.34Å; K354-T432 PolarHBondContact NZ-OG1 3.04Å; T356-T432 VanDerWaalsContact CG2-OG1 3.29Å; T356-T432 WeakPolarHBondContact CG2-OG1 3.46Å; F357-T432 PolarHBondContact N-O 2.86Å; K430-T432 HydrophobicContact CD-CG2 3.68Å; K430-T432 VanDerWaalsContact CE-CG2 3.43Å; T432-T508 WeakPolarHBondContact CG2-OG1 3.42Å
433	F	78.1	Confident	60.5	Low	22 Å²	22	44.5 Å²	44.5	10%	0.096	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	128.7	178.1	-57.4	-92.2	0	0	0	108.4	F357 V360 P376 T431 V436 T507 T508 F509 D510	F357-F433 HydrophobicContact CB-CD1 3.67Å; F357-F433 HydrophobicContact CB-CE1 4.02Å; F357-F433 AromaticContact CD2-CD1 3.72Å; F357-F433 HydrophobicContact CD2-CD1 3.72Å; F357-F433 AromaticContact CD2-CE1 3.23Å; F357-F433 HydrophobicContact CD2-CE1 3.23Å; F357-F433 AromaticContact CD2-CZ 3.8Å; F357-F433 HydrophobicContact CD2-CZ 3.8Å; F357-F433 AromaticContact CE2-CE1 3.76Å; F357-F433 HydrophobicContact CE2-CE1 3.76Å; F357-F433 HydrophobicContact CE2-CZ 4.01Å; F357-F433 AromaticContact CG-CD1 3.94Å; F357-F433 HydrophobicContact CG-CD1 3.94Å; F357-F433 AromaticContact CG-CE1 3.74Å; F357-F433 HydrophobicContact CG-CE1 3.74Å; F357-F433 VanDerWaalsContact O-CA 3.28Å; F357-F433 WeakPolarHBondContact O-CA 3.33Å; V360-F433 HydrophobicContact CG2-CD1 3.96Å; V360-F433 HydrophobicContact CG2-CE1 4.26Å; P376-F433 HydrophobicContact CG-CE1 4.29Å; P376-F433 HydrophobicContact CG-CE2 4.43Å; P376-F433 HydrophobicContact CG-CZ 3.67Å; T431-F433 HydrophobicContact CG2-CD2 4.16Å; T431-F433 HydrophobicContact CG2-CE2 3.46Å; T431-F433 VanDerWaalsContact CG2-CE2 3.46Å; T431-F433 HydrophobicContact CG2-CZ 4.1Å; F433-V436 HydrophobicContact CB-CG2 3.63Å; F433-V436 HydrophobicContact CD1-CG2 4.01Å; F433-V436 HydrophobicContact CG-CG2 3.96Å; F433-T507 HydrophobicContact CD2-CG2 4.15Å; F433-T507 HydrophobicContact CE2-CG2 4.13Å; F433-T508 PolarHBondContact N-O 3.26Å; F433-F509 HydrophobicContact CB-CD1 3.72Å; F433-F509 HydrophobicContact CB-CE1 4.11Å; F433-F509 AromaticContact CD2-CD1 3.76Å; F433-F509 HydrophobicContact CD2-CD1 3.76Å; F433-F509 AromaticContact CD2-CE1 3.32Å; F433-F509 HydrophobicContact CD2-CE1 3.32Å; F433-F509 AromaticContact CD2-CZ 3.84Å; F433-F509 HydrophobicContact CD2-CZ 3.96Å; F433-F509 AromaticContact CE2-CE1 3.86Å; F433-F509 HydrophobicContact CE2-CE1 3.86Å; F433-F509 HydrophobicContact CE2-CZ 4.19Å; F433-F509 AromaticContact CG-CD1 3.91Å; F433-F509 HydrophobicContact CG-CD1 3.99Å; F433-F509 AromaticContact CG-CE1 3.84Å; F433-F509 HydrophobicContact CG-CE1 3.84Å; F433-F509 VanDerWaalsContact O-CA 3.29Å; F433-F509 WeakPolarHBondContact O-CA 3.17Å; F433-D510 PolarHBondContact O-N 3.13Å; F433-D510 VanDerWaalsContact O-N 3.1Å
434	D	80.5	Confident	62.5	Low	68 Å²	68	42.3 Å²	42.3	36%	0.364	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	-49.8	179.2	-63.7	15.6	0	0	0	109.1	F357 D358 D510 V511	F357-D434 PolarHBondContact O-N 3.04Å; D358-D434 WeakPolarHBondContact O-CB 3.46Å; D434-D510 WeakPolarHBondContact O-CB 3.26Å; D434-D510 PolarHBondContact O-N 2.94Å; D434-V511 PolarHBondContact O-N 3Å
435	V	75.9	Confident	64	Low	32 Å²	32	42.8 Å²	42.8	19%	0.194	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	128	173.7	-175.1	0	0	0	0	112.5	D358 V359 V360 V511 V915 I1014	D358-V435 PolarHBondContact O-N 2.79Å; V359-V435 CarbonylContact C-O 3.6Å; V359-V435 WeakPolarHBondContact CA-O 3.13Å; V360-V435 PolarHBondContact N-O 2.82Å; V435-V511 CarbonylContact C-O 3.56Å; V435-V511 WeakPolarHBondContact CA-O 3.18Å; V435-V511 HydrophobicContact CG1-CB 4.36Å; V435-V511 HydrophobicContact CG1-CG1 4.49Å; V435-V511 HydrophobicContact CG2-CB 4.27Å; V435-V511 HydrophobicContact CG2-CG2 4.45Å; V435-V915 HydrophobicContact CG1-CG2 4.36Å; V435-V915 HydrophobicContact CG2-CG2 4.06Å; V435-I1014 HydrophobicContact CB-CD1 3.72Å; V435-I1014 HydrophobicContact CG1-CD1 3.85Å; V435-I1014 HydrophobicContact CG2-CD1 3.63Å
436	V	79.3	Confident	65.4	Low	7 Å²	7	42.3 Å²	42.3	4%	0.042	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	123.4	174.5	-177.3	0	0	0	0	110.8	V360 I375 F433 Q438 F509 V511 V512 T513	V360-V436 CarbonylContact O-C 3.36Å; V360-V436 WeakPolarHBondContact O-CA 2.79Å; I375-V436 HydrophobicContact CD1-CG1 4.24Å; I375-V436 HydrophobicContact CG2-CG1 4.25Å; F433-V436 HydrophobicContact CB-CG2 3.63Å; F433-V436 HydrophobicContact CD1-CG2 4.01Å; F433-V436 HydrophobicContact CG-CG2 3.96Å; V436-Q438 HydrophobicContact CG1-CG 3.97Å; V436-F509 HydrophobicContact CB-CD1 4.5Å; V436-F509 HydrophobicContact CG2-CD1 3.83Å; V436-F509 HydrophobicContact CG2-CE1 4.1Å; V436-V511 PolarHBondContact N-O 2.99Å; V436-V512 HydrophobicContact CB-CG2 4.42Å; V436-V512 CarbonylContact O-C 3.5Å; V436-V512 WeakPolarHBondContact O-CA 3.24Å; V436-T513 PolarHBondContact O-N 2.98Å
437	T	76.7	Confident	66.4	Low	28.5 Å²	28.5	41.4 Å²	41.4	18%	0.175	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	124	175	-60.7	0	0	0	0	110.8	V360 T361 Q362 T513	V360-T437 PolarHBondContact O-N 2.82Å; T361-T437 CarbonylContact C-O 3.55Å; T361-T437 VanDerWaalsContact CA-O 3.32Å; T361-T437 WeakPolarHBondContact CA-O 3.07Å; Q362-T437 PolarHBondContact N-O 2.82Å; T437-T513 CarbonylContact C-O 3.55Å; T437-T513 WeakPolarHBondContact CA-O 3.17Å
438	Q	75.3	Confident	67.3	Low	35.5 Å²	35.5	37.8 Å²	37.8	17%	0.166	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	126.7	175.4	-115.6	-178.2	2.6	0	0	110.6	Q362 I375 V436 T513 Q514 S515	Q362-Q438 HydrophobicContact CB-CG 4.43Å; Q362-Q438 CarbonylContact O-C 3.44Å; Q362-Q438 WeakPolarHBondContact O-CA 3.49Å; I375-Q438 HydrophobicContact CD1-CB 3.77Å; I375-Q438 HydrophobicContact CD1-CG 3.91Å; V436-Q438 HydrophobicContact CG1-CG 3.97Å; Q438-T513 PolarHBondContact N-O 3.2Å; Q438-Q514 HydrophobicContact CB-CG 4.35Å; Q438-Q514 CarbonylContact O-C 3.54Å; Q438-Q514 WeakPolarHBondContact O-CA 3.35Å; Q438-S515 PolarHBondContact O-N 3.07Å
439	S	72	Confident	67.8	Low	38.5 Å²	38.5	37.3 Å²	37.3	27%	0.269	21%	0.213	S	C	.	.			trans	-135.6	114.5	178.9	-173	0	0	0	0	111.6	Q362 S363 S515 S1018	Q362-S439 PolarHBondContact O-N 3.32Å; S363-S439 WeakPolarHBondContact CA-O 3.29Å; S439-S515 CarbonylContact C-O 3.59Å; S439-S515 VanDerWaalsContact CA-O 3.24Å; S439-S515 WeakPolarHBondContact CA-O 3.43Å; S439-S515 PolarHBondContact OG-O 3.44Å; S439-S1018 VanDerWaalsContact OG-CB 3.32Å; S439-S1018 WeakPolarHBondContact OG-CB 3.45Å
440	G	72.6	Confident	67.8	Low	12 Å²	12	37.8 Å²	37.8	12%	0.124	22%	0.216	C	C	.	.			trans	-139.7	160.8	176.4	0	0	0	0	0	115.6	G364 S515 G516 T517	G364-G440 CarbonylContact O-C 3.39Å; G364-G440 WeakPolarHBondContact O-CA 3.47Å; G440-S515 PolarHBondContact N-O 2.93Å; G440-S515 VanDerWaalsContact N-O 3.11Å; G440-G516 CarbonylContact O-C 3.6Å; G440-G516 VanDerWaalsContact O-CA 3.23Å; G440-G516 WeakPolarHBondContact O-CA 3.18Å; G440-T517 PolarHBondContact O-N 3.33Å
441	T	75.3	Confident	67.8	Low	22 Å²	22	35.8 Å²	35.8	14%	0.135	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	127.8	170.5	-58.1	0	0	0	0	110	G364 T365 V366 H443 T517 I1020	G364-T441 PolarHBondContact O-N 3.37Å; T365-T441 CarbonylContact C-O 3.59Å; T365-T441 WeakPolarHBondContact CA-O 3.12Å; V366-T441 PolarHBondContact N-O 2.89Å; T441-H443 WeakPolarHBondContact CG2-NE2 3.38Å; T441-T517 CarbonylContact C-O 3.52Å; T441-T517 VanDerWaalsContact CA-O 3.26Å; T441-T517 WeakPolarHBondContact CA-O 3.36Å; T441-T517 HydrophobicContact CG2-CG2 4.37Å; T441-I1020 HydrophobicContact CG2-CD1 4.01Å; T441-I1020 WeakPolarHBondContact OG1-CD1 3.44Å
442	V	74	Confident	67	Low	27 Å²	27	35.9 Å²	35.9	16%	0.164	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	116.8	177.4	-174.2	0	0	0	0	109.1	V366 S371 T517 V518 H519	V366-V442 WeakPolarHBondContact O-CA 3.24Å; S371-V442 WeakPolarHBondContact OG-CG1 3.29Å; V442-T517 PolarHBondContact N-O 3.18Å; V442-V518 HydrophobicContact CB-CG2 4.39Å; V442-V518 CarbonylContact O-C 3.55Å; V442-V518 WeakPolarHBondContact O-CA 3.3Å; V442-H519 PolarHBondContact O-N 3.13Å
443	H	75.1	Confident	65.7	Low	52.5 Å²	52.5	37.5 Å²	37.5	24%	0.243	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	110.5	175.5	-125.8	-83.3	0	0	0	109.9	V366 H367 C368 T441 H519	V366-H443 PolarHBondContact O-N 3.24Å; H367-H443 WeakPolarHBondContact CA-O 3.39Å; H367-H443 AromaticContact CD2-CG 3.77Å; H367-H443 AromaticContact CD2-ND1 3.17Å; H367-H443 PolarHBondContact CD2-ND1 3.07Å; H367-H443 AromaticContact NE2-CE1 3.72Å; H367-H443 AromaticContact NE2-ND1 3.16Å; H367-H443 PolarHBondContact NE2-ND1 3.3Å; H367-H443 VanDerWaalsContact NE2-ND1 3.16Å; C368-H443 PolarHBondContact N-O 2.96Å; C368-H443 VanDerWaalsContact N-O 3.1Å; T441-H443 WeakPolarHBondContact CG2-NE2 3.38Å; H443-H519 WeakPolarHBondContact CA-O 3.01Å; H443-H519 AromaticContact CD2-CG 3.73Å; H443-H519 AromaticContact CD2-ND1 3.28Å; H443-H519 PolarHBondContact CD2-ND1 3.4Å; H443-H519 VanDerWaalsContact CD2-ND1 3.28Å; H443-H519 AromaticContact ND1-CG 3.99Å; H443-H519 AromaticContact NE2-CE1 3.91Å; H443-H519 AromaticContact NE2-ND1 3.37Å; H443-H519 PolarHBondContact NE2-ND1 3.5Å
444	C	70.8	Confident	64	Low	25.5 Å²	25.5	40.2 Å²	40.2	17%	0.172	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	148.9	179.5	-1.4	0	0	0	0	111.4	C368 S371 Q446 S447 H519 C520 A521	C368-C444 WeakPolarHBondContact O-CA 3.33Å; C368-C444 VanDerWaalsContact O-CB 3.27Å; C368-C444 WeakPolarHBondContact O-CB 3.23Å; S371-C444 PolarHBondContact OG-SG 3.16Å; S371-C444 VanDerWaalsContact OG-SG 3.33Å; C444-Q446 PolarHBondContact SG-O 3.07Å; C444-S447 WeakPolarHBondContact SG-CB 3.32Å; C444-S447 PolarHBondContact SG-OG 2.98Å; C444-S447 VanDerWaalsContact SG-OG 3.32Å; C444-H519 PolarHBondContact N-O 3.19Å; C444-C520 WeakPolarHBondContact O-CA 3.4Å; C444-C520 WeakPolarHBondContact O-CB 3.3Å; C444-A521 PolarHBondContact O-N 3.2Å
445	A	61.2	Low	62.5	Low	49.5 Å²	49.5	37.5 Å²	37.5	41%	0.409	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	38.3	170.5	0	0	0	0	0	110.1	A369 A521 Q522	A369-A445 WeakPolarHBondContact O-CA 3.05Å; A369-A445 WeakPolarHBondContact O-CB 3.03Å; A369-A445 PolarHBondContact O-N 2.85Å; A445-A521 WeakPolarHBondContact O-CB 3.49Å; A445-A521 PolarHBondContact O-N 3.45Å; A445-Q522 PolarHBondContact O-N 2.96Å
446	Q	59.6	Low	61.1	Low	77.5 Å²	77.5	36.2 Å²	36.2	36%	0.362	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	122.8	-179.5	-62.8	-178.3	-49.5	0	0	110.4	A369 Q370 S371 C444 A521 Q522 S523	A369-Q446 PolarHBondContact O-N 2.84Å; A369-Q446 VanDerWaalsContact O-N 3.08Å; Q370-Q446 WeakPolarHBondContact CA-O 3.4Å; Q370-Q446 HydrophobicContact CG-CB 4.41Å; S371-Q446 PolarHBondContact N-O 2.81Å; S371-Q446 VanDerWaalsContact N-O 3.1Å; C444-Q446 PolarHBondContact SG-O 3.07Å; Q446-A521 PolarHBondContact N-O 2.86Å; Q446-Q522 VanDerWaalsContact CA-O 3.29Å; Q446-Q522 WeakPolarHBondContact CA-O 3.47Å; Q446-Q522 HydrophobicContact CB-CG 4.37Å; Q446-Q522 HydrophobicContact CG-CB 4.48Å; Q446-S523 PolarHBondContact O-N 3.22Å; Q446-S523 VanDerWaalsContact O-N 3.11Å
447	S	54.6	Low	59.6	Low	29.5 Å²	29.5	36.9 Å²	36.9	21%	0.206	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	132.5	176.2	47.6	0	0	0	0	112.1	S371 C444 V518 Q522 S523 V524	S371-S447 WeakPolarHBondContact O-CA 3.2Å; C444-S447 WeakPolarHBondContact SG-CB 3.32Å; C444-S447 PolarHBondContact SG-OG 2.98Å; C444-S447 VanDerWaalsContact SG-OG 3.32Å; S447-V518 VanDerWaalsContact OG-CG1 3.28Å; S447-V518 WeakPolarHBondContact OG-CG1 3.22Å; S447-Q522 PolarHBondContact N-O 2.98Å; S447-Q522 VanDerWaalsContact N-O 3.15Å; S447-S523 WeakPolarHBondContact O-CA 3.04Å; S447-S523 WeakPolarHBondContact O-CB 3.23Å; S447-S523 WeakPolarHBondContact OG-CB 2.95Å; S447-V524 PolarHBondContact O-N 2.9Å
448	V	56.1	Low	58.6	Low	52.5 Å²	52.5	35.8 Å²	35.8	32%	0.318	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	120.7	171.3	-179.2	0	0	0	0	108.2	S371 V372 Q373 T450 S523 Q525	S371-V448 PolarHBondContact O-N 3.15Å; V372-V448 WeakPolarHBondContact CA-O 3.31Å; Q373-V448 PolarHBondContact N-O 3.32Å; Q373-V448 VanDerWaalsContact N-O 3.08Å; V448-T450 VanDerWaalsContact CG1-OG1 3.27Å; V448-T450 WeakPolarHBondContact CG1-OG1 3.39Å; V448-S523 PolarHBondContact N-O 2.79Å; V448-Q525 PolarHBondContact O-N 2.85Å
449	Q	51.1	Low	57.7	Low	39 Å²	39	36.1 Å²	36.1	18%	0.182	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	111.9	170.9	-173.9	177	57.9	0	0	108.2	V524 Q525 T526	Q449-V524 PolarHBondContact N-O 2.89Å; Q449-V524 VanDerWaalsContact N-O 3.16Å; Q449-Q525 WeakPolarHBondContact O-CA 3.32Å; Q449-T526 PolarHBondContact O-N 3Å
450	T	47.5	Very low	57.2	Low	38 Å²	38	34.3 Å²	34.3	23%	0.233	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	126.1	-173.1	-60.2	0	0	0	0	110.2	Q373 T374 V448 Q525	Q373-T450 PolarHBondContact O-N 3.13Å; Q373-T450 VanDerWaalsContact O-N 3.16Å; T374-T450 WeakPolarHBondContact CA-O 3.27Å; V448-T450 VanDerWaalsContact CG1-OG1 3.27Å; V448-T450 WeakPolarHBondContact CG1-OG1 3.39Å; T450-Q525 PolarHBondContact N-O 3.24Å
451	I	50.4	Low	56.6	Low	43.5 Å²	43.5	36.2 Å²	36.2	22%	0.223	20%	0.202	C	C	.	.			trans	-84.3	137.3	164	-64.2	173.4	0	0	0	105.9	V512 I527 P528	I451-V512 HydrophobicContact CD1-CG1 3.95Å; I451-I527 HydrophobicContact CD1-CG1 4.47Å; I451-P528 WeakPolarHBondContact O-CD 3.37Å; I451-P528 WeakPolarHBondContact O-CG 3.21Å
452	P	48	Very low	55.7	Low	30 Å²	30	38.4 Å²	38.4	20%	0.195	21%	0.213	C	C	.	.			trans	-61.6	150	-166.4	21.3	-34.2	0	0	0	114.3	I375 P376 E454 I527 P528	I375-P452 VanDerWaalsContact O-CB 3.27Å; I375-P452 WeakPolarHBondContact O-CB 3.1Å; I375-P452 VanDerWaalsContact O-CD 3.3Å; I375-P452 WeakPolarHBondContact O-CD 3.38Å; I375-P452 WeakPolarHBondContact O-CG 3.31Å; P376-P452 VanDerWaalsContact C-CB 3.5Å; P376-P452 WeakPolarHBondContact O-CB 3.48Å; P376-P452 WeakPolarHBondContact O-CG 3.08Å; P452-E454 PolarHBondContact O-N 2.95Å; P452-I527 HydrophobicContact CG-CB 4.19Å; P452-I527 HydrophobicContact CG-CG2 4.1Å; P452-P528 WeakPolarHBondContact CG-O 3.32Å; P452-P528 WeakPolarHBondContact O-CG 3.38Å
453	E	45.4	Very low	55.1	Low	57 Å²	57	37.2 Å²	37.2	27%	0.266	21%	0.205	S	C	.	.			trans	-87	136.2	175.2	-170.4	179.4	-170.4	0	0	109.7	Q455 P528 R531	E453-Q455 PolarHBondContact O-N 3.11Å; E453-P528 HydrophobicContact CB-CB 4.31Å; E453-P528 HydrophobicContact CB-CG 4.02Å; E453-P528 HydrophobicContact CG-CB 4.4Å; E453-R531 WeakPolarHBondContact OE1-CD 3.42Å; E453-R531 IonicContact OE1-CZ 2.85Å; E453-R531 IonicContact OE1-NE 3.11Å; E453-R531 PolarHBondContact OE1-NE 3.07Å; E453-R531 IonicContact OE1-NH1 2.88Å; E453-R531 PolarHBondContact OE1-NH1 3.33Å; E453-R531 IonicContact OE2-CZ 3.38Å; E453-R531 IonicContact OE2-NE 2.67Å; E453-R531 IonicContact OE2-NH1 3.54Å
454	E	43.5	Very low	54.7	Low	79 Å²	79	35.7 Å²	35.7	37%	0.369	20%	0.204	S	C	.	.			trans	-83	114.3	169.1	-133.9	-166.3	168.9	0	0	108.2	P452 L504	P452-E454 PolarHBondContact O-N 2.95Å; E454-L504 WeakPolarHBondContact OE1-CD2 3.47Å
455	Q	49.1	Very low	54.7	Low	10.5 Å²	10.5	34.5 Å²	34.5	5%	0.049	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-86.9	157.9	-175.1	-34.9	-165.7	7.7	0	0	112.7	E377 D419 M421 E453 V457 E529 P532	E377-Q455 PolarHBondContact OE1-NE2 3.17Å; D419-Q455 PolarHBondContact OD1-NE2 3.1Å; D419-Q455 PolarHBondContact OD1-OE1 3.01Å; M421-Q455 HydrophobicContact CB-CB 3.87Å; M421-Q455 HydrophobicContact CB-CG 4.47Å; M421-Q455 WeakPolarHBondContact CE-O 3.38Å; M421-Q455 HydrophobicContact CG-CB 3.47Å; M421-Q455 VanDerWaalsContact CG-CB 3.47Å; M421-Q455 HydrophobicContact CG-CG 3.65Å; M421-Q455 WeakPolarHBondContact SD-CA 3.42Å; M421-Q455 HydrophobicContact SD-CB 3.38Å; M421-Q455 WeakPolarHBondContact SD-CB 3.39Å; M421-Q455 HydrophobicContact SD-CG 3.64Å; M421-Q455 PolarHBondContact SD-N 3.2Å; M421-Q455 VanDerWaalsContact SD-N 3.38Å; E453-Q455 PolarHBondContact O-N 3.11Å; Q455-V457 PolarHBondContact O-N 3.17Å; Q455-E529 PolarHBondContact NE2-OE1 2.8Å; Q455-P532 HydrophobicContact CB-CB 3.72Å; Q455-P532 HydrophobicContact CB-CG 4.42Å; Q455-P532 VanDerWaalsContact OE1-CG 3.27Å
456	P	45.3	Very low	54.8	Low	6 Å²	6	35.4 Å²	35.4	4%	0.039	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-68.8	120.7	-163.7	25.9	-36.5	0	0	0	114	M421 A422 F458 P496 P532 F534	M421-P456 CarbonylContact C-O 3.54Å; M421-P456 HydrophobicContact CB-CG 4.35Å; M421-P456 WeakPolarHBondContact CB-O 3.22Å; A422-P456 PolarHBondContact N-O 3.34Å; P456-F458 HydrophobicContact CB-CE2 4.28Å; P456-F458 HydrophobicContact CB-CZ 4.22Å; P456-F458 HydrophobicContact CG-CE2 4.07Å; P456-F458 HydrophobicContact CG-CZ 4.16Å; P456-F458 WeakPolarHBondContact O-CD2 3.32Å; P456-F458 VanDerWaalsContact O-CE2 3.26Å; P456-F458 WeakPolarHBondContact O-CE2 3.23Å; P456-F458 PolarHBondContact O-N 2.84Å; P456-P496 HydrophobicContact CB-CG 4.49Å; P456-P496 HydrophobicContact CG-CB 4.19Å; P456-P496 HydrophobicContact CG-CG 3.66Å; P456-P532 VanDerWaalsContact CB-O 3.26Å; P456-P532 WeakPolarHBondContact CB-O 3.45Å; P456-F534 HydrophobicContact CB-CD2 4.17Å
457	V	48.9	Very low	55.1	Low	21.5 Å²	21.5	32 Å²	32	13%	0.13	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-83.5	118	-175.8	-149.2	0	0	0	0	110.9	V381 M421 A422 Q423 Q455 H459 L504 V533 F534	V381-V457 HydrophobicContact CG2-CG1 3.84Å; M421-V457 HydrophobicContact CE-CB 3.97Å; M421-V457 HydrophobicContact CE-CG1 3.54Å; M421-V457 HydrophobicContact CE-CG2 3.89Å; A422-V457 WeakPolarHBondContact O-CA 3.21Å; A422-V457 WeakPolarHBondContact O-CG1 3.18Å; Q423-V457 VanDerWaalsContact CB-C 3.47Å; Q423-V457 HydrophobicContact CB-CB 3.67Å; Q423-V457 HydrophobicContact CB-CG1 3.46Å; Q423-V457 VanDerWaalsContact CB-CG1 3.46Å; Q423-V457 VanDerWaalsContact CD-CB 3.46Å; Q423-V457 HydrophobicContact CG-CB 3.73Å; Q423-V457 HydrophobicContact CG-CG1 3.41Å; Q423-V457 VanDerWaalsContact CG-CG1 3.41Å; Q423-V457 PolarHBondContact OE1-O 3.1Å; Q423-V457 VanDerWaalsContact OE1-O 3.04Å; Q455-V457 PolarHBondContact O-N 3.17Å; V457-H459 VanDerWaalsContact CG1-CE1 3.46Å; V457-H459 WeakPolarHBondContact CG1-CE1 3.32Å; V457-L504 HydrophobicContact CG2-CD2 4.47Å; V457-V533 HydrophobicContact CB-CG1 3.76Å; V457-V533 HydrophobicContact CG2-CB 4.09Å; V457-V533 HydrophobicContact CG2-CG1 3.71Å; V457-V533 HydrophobicContact CG2-CG2 3.72Å; V457-V533 CarbonylContact O-C 2.91Å; V457-V533 WeakPolarHBondContact O-CG1 3.22Å; V457-F534 PolarHBondContact O-N 2.8Å
458	F	55.1	Low	55.4	Low	5 Å²	5	32.3 Å²	32.3	2%	0.022	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-102.2	115.3	-176.4	-63.9	-113.6	0	0	0	114	Q409 M421 A422 Q423 P456 F534 H535 Q561 V563	Q409-F458 HydrophobicContact CB-CE1 4.33Å; Q409-F458 HydrophobicContact CG-CE1 4.35Å; M421-F458 VanDerWaalsContact O-CE2 3.23Å; M421-F458 WeakPolarHBondContact O-CE2 3.24Å; A422-F458 HydrophobicContact CB-CB 3.97Å; A422-F458 HydrophobicContact CB-CD2 4.13Å; A422-F458 HydrophobicContact CB-CG 4.17Å; Q423-F458 WeakPolarHBondContact CA-O 3.48Å; Q423-F458 VanDerWaalsContact CB-C 3.47Å; Q423-F458 VanDerWaalsContact CB-N 3.28Å; Q423-F458 VanDerWaalsContact CB-O 3.31Å; Q423-F458 WeakPolarHBondContact CB-O 3.46Å; Q423-F458 PolarHBondContact N-O 3.48Å; P456-F458 HydrophobicContact CB-CE2 4.28Å; P456-F458 HydrophobicContact CB-CZ 4.22Å; P456-F458 HydrophobicContact CG-CE2 4.07Å; P456-F458 HydrophobicContact CG-CZ 4.16Å; P456-F458 WeakPolarHBondContact O-CD2 3.32Å; P456-F458 VanDerWaalsContact O-CE2 3.26Å; P456-F458 WeakPolarHBondContact O-CE2 3.23Å; P456-F458 PolarHBondContact O-N 2.84Å; F458-F534 HydrophobicContact CB-CB 3.9Å; F458-F534 HydrophobicContact CB-CD1 4.06Å; F458-F534 HydrophobicContact CD1-CB 4.18Å; F458-F534 HydrophobicContact CD1-CD2 4.07Å; F458-F534 HydrophobicContact CD1-CG 4.05Å; F458-F534 HydrophobicContact CD2-CB 3.77Å; F458-F534 AromaticContact CD2-CD1 3.75Å; F458-F534 HydrophobicContact CD2-CD1 3.75Å; F458-F534 AromaticContact CD2-CD2 3.49Å; F458-F534 HydrophobicContact CD2-CD2 3.49Å; F458-F534 VanDerWaalsContact CD2-CD2 3.49Å; F458-F534 AromaticContact CD2-CE1 3.39Å; F458-F534 HydrophobicContact CD2-CE1 3.39Å; F458-F534 HydrophobicContact CD2-CE2 4.39Å; F458-F534 AromaticContact CD2-CG 3.92Å; F458-F534 HydrophobicContact CD2-CG 3.92Å; F458-F534 HydrophobicContact CD2-CZ 4.31Å; F458-F534 AromaticContact CE1-CD2 3.9Å; F458-F534 HydrophobicContact CE1-CD2 3.9Å; F458-F534 HydrophobicContact CE1-CE2 4.06Å; F458-F534 HydrophobicContact CE1-CG 4.26Å; F458-F534 AromaticContact CE2-CD2 3.35Å; F458-F534 HydrophobicContact CE2-CD2 3.35Å; F458-F534 AromaticContact CE2-CE1 3.88Å; F458-F534 HydrophobicContact CE2-CE1 3.88Å; F458-F534 AromaticContact CE2-CE2 3.83Å; F458-F534 HydrophobicContact CE2-CE2 3.83Å; F458-F534 HydrophobicContact CE2-CG 4.19Å; F458-F534 HydrophobicContact CG-CB 3.61Å; F458-F534 HydrophobicContact CG-CD1 4.26Å; F458-F534 AromaticContact CG-CD2 3.89Å; F458-F534 HydrophobicContact CG-CD2 3.89Å; F458-F534 HydrophobicContact CG-CE1 4.25Å; F458-F534 AromaticContact CG-CG 3.89Å; F458-F534 HydrophobicContact CG-CG 3.89Å; F458-F534 AromaticContact CZ-CD2 3.57Å; F458-F534 HydrophobicContact CZ-CD2 3.57Å; F458-F534 AromaticContact CZ-CE2 3.65Å; F458-F534 HydrophobicContact CZ-CE2 3.65Å; F458-F534 HydrophobicContact CZ-CG 4.36Å; F458-F534 HydrophobicContact CZ-CZ 4.49Å; F458-H535 PolarHBondContact O-N 2.84Å; F458-H535 VanDerWaalsContact O-N 3.15Å; F458-Q561 VanDerWaalsContact CD1-CD 3.41Å; F458-Q561 HydrophobicContact CD1-CG 4.18Å; F458-Q561 HydrophobicContact CE1-CG 3.89Å; F458-V563 HydrophobicContact CE1-CG2 4.16Å; F458-V563 HydrophobicContact CZ-CB 4.22Å; F458-V563 HydrophobicContact CZ-CG2 3.62Å
459	H	56.7	Low	55.7	Low	42 Å²	42	30.3 Å²	30.3	19%	0.194	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	125.2	169.6	-83	94.9	0	0	0	111.7	H383 Q423 V457 V500 F534 H535	H383-H459 HydrophobicContact CB-CB 4.42Å; H383-H459 AromaticContact CE1-CD2 3.21Å; H383-H459 PolarHBondContact CE1-CD2 3.39Å; H383-H459 AromaticContact CE1-CE1 3.43Å; H383-H459 PolarHBondContact CE1-CE1 3.47Å; H383-H459 VanDerWaalsContact CE1-CE1 3.43Å; H383-H459 AromaticContact CE1-CG 3.77Å; H383-H459 AromaticContact CE1-ND1 3.88Å; H383-H459 AromaticContact CE1-NE2 2.97Å; H383-H459 PolarHBondContact CE1-NE2 3.49Å; H383-H459 AromaticContact CG-CD2 3.83Å; H383-H459 AromaticContact CG-CG 3.96Å; H383-H459 AromaticContact ND1-CD2 3.1Å; H383-H459 PolarHBondContact ND1-CD2 3.48Å; H383-H459 AromaticContact ND1-CE1 3.45Å; H383-H459 PolarHBondContact ND1-CE1 3.27Å; H383-H459 AromaticContact ND1-CG 3.19Å; H383-H459 AromaticContact ND1-ND1 3.42Å; H383-H459 PolarHBondContact ND1-ND1 3.33Å; H383-H459 AromaticContact ND1-NE2 3.28Å; H383-H459 PolarHBondContact ND1-NE2 2.99Å; H383-H459 AromaticContact NE2-CD2 3.93Å; H383-H459 AromaticContact NE2-NE2 3.89Å; Q423-H459 PolarHBondContact OE1-CE1 3.08Å; Q423-H459 PolarHBondContact OE1-ND1 3.28Å; V457-H459 VanDerWaalsContact CG1-CE1 3.46Å; V457-H459 WeakPolarHBondContact CG1-CE1 3.32Å; H459-V500 HydrophobicContact CB-CB 3.61Å; H459-V500 HydrophobicContact CB-CG2 3.27Å; H459-F534 PolarHBondContact N-O 3.19Å; H459-H535 VanDerWaalsContact CD2-CB 3.45Å; H459-H535 WeakPolarHBondContact CD2-CB 3.31Å; H459-H535 AromaticContact CD2-CG 3.9Å; H459-H535 AromaticContact CD2-ND1 3.74Å; H459-H535 AromaticContact CE1-ND1 3.96Å; H459-H535 AromaticContact NE2-CG 3.75Å; H459-H535 AromaticContact NE2-ND1 3.13Å; H459-H535 PolarHBondContact NE2-ND1 3.26Å; H459-H535 VanDerWaalsContact NE2-ND1 3.13Å
460	T	60.1	Low	55.9	Low	1.5 Å²	1.5	35.3 Å²	35.3	1%	0.009	19%	0.187	C	C	.	.			trans	-131.3	112.5	169.5	-59.9	0	0	0	0	109.9	H383 T384 V385 M407 V463 M483 H535 T536 V537 M559	H383-T460 PolarHBondContact O-N 3.34Å; T384-T460 WeakPolarHBondContact CA-O 3.42Å; V385-T460 PolarHBondContact N-O 2.87Å; M407-T460 HydrophobicContact CE-CG2 4.5Å; M407-T460 HydrophobicContact SD-CG2 4.16Å; T460-V463 HydrophobicContact CG2-CG2 3.88Å; T460-M483 HydrophobicContact CG2-CE 3.99Å; T460-M483 HydrophobicContact CG2-SD 4.44Å; T460-H535 PolarHBondContact N-O 2.8Å; T460-T536 WeakPolarHBondContact CA-O 3.44Å; T460-T536 WeakPolarHBondContact O-CA 3.35Å; T460-V537 PolarHBondContact O-N 2.81Å; T460-M559 HydrophobicContact CG2-CE 3.95Å; T460-M559 HydrophobicContact CG2-SD 4.24Å
461	V	59.8	Low	56.2	Low	51.5 Å²	51.5	34.7 Å²	34.7	31%	0.312	18%	0.184	S	C	.	.			trans	-79.7	-58.2	-175.4	-166.3	0	0	0	0	111.3	V385 S386 V537 N538	V385-V461 HydrophobicContact CB-CG1 4.13Å; V385-V461 WeakPolarHBondContact CB-O 3.3Å; V385-V461 HydrophobicContact CG2-CG1 4Å; V385-V461 PolarHBondContact N-O 3.11Å; S386-V461 PolarHBondContact N-O 3.11Å; V461-V537 VanDerWaalsContact CB-O 3.24Å; V461-V537 WeakPolarHBondContact CB-O 3.14Å; V461-V537 HydrophobicContact CG1-CB 4.32Å; V461-V537 HydrophobicContact CG1-CG2 4.49Å; V461-V537 HydrophobicContact CG2-CG1 4.29Å; V461-V537 PolarHBondContact N-O 3.28Å; V461-V537 WeakPolarHBondContact O-CB 2.94Å; V461-N538 PolarHBondContact O-N 2.88Å; V461-N538 VanDerWaalsContact O-N 3.16Å
462	N	58	Low	55.8	Low	68 Å²	68	37 Å²	37	36%	0.364	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	131.8	-177.7	-66.8	-66.8	0	0	0	113.8	V537 N538 V539	N462-V537 PolarHBondContact N-O 3.06Å; N462-N538 PolarHBondContact ND2-OD1 3Å; N462-N538 VanDerWaalsContact OD1-CB 3.28Å; N462-N538 WeakPolarHBondContact OD1-CB 3.16Å; N462-V539 PolarHBondContact O-N 2.68Å
463	V	61.7	Low	55.7	Low	2 Å²	2	38.9 Å²	38.9	1%	0.012	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	104.3	163	-177.4	0	0	0	0	108.6	S386 V387 G388 T460 M483 N538 V539 G540 M559	S386-V463 PolarHBondContact O-N 3.41Å; V387-V463 WeakPolarHBondContact CA-O 3.23Å; G388-V463 PolarHBondContact N-O 2.81Å; T460-V463 HydrophobicContact CG2-CG2 3.88Å; V463-M483 HydrophobicContact CB-SD 4.46Å; V463-M483 HydrophobicContact CG2-CG 4.4Å; V463-M483 HydrophobicContact CG2-SD 4.09Å; V463-N538 PolarHBondContact N-O 3.39Å; V463-V539 WeakPolarHBondContact CA-O 3.48Å; V463-V539 HydrophobicContact CB-CG1 4.39Å; V463-V539 WeakPolarHBondContact O-CA 3.02Å; V463-G540 PolarHBondContact O-N 2.84Å; V463-G540 VanDerWaalsContact O-N 3.16Å; V463-M559 HydrophobicContact CG1-CB 4.5Å; V463-M559 HydrophobicContact CG2-CB 4.37Å; V463-M559 HydrophobicContact CG2-CE 4.49Å; V463-M559 HydrophobicContact CG2-SD 3.91Å
464	G	66.1	Low	55.9	Low	20.5 Å²	20.5	37.1 Å²	37.1	21%	0.211	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	157.4	-168.8	0	0	0	0	0	114.7	V539 V541	G464-V539 PolarHBondContact N-O 2.96Å; G464-V539 VanDerWaalsContact N-O 3.11Å; G464-V541 PolarHBondContact O-N 3.42Å
465	L	69.6	Low	56.2	Low	1.5 Å²	1.5	38 Å²	38	1%	0.008	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	112	168.1	-172	160.6	0	0	0	108.3	L389 D390 L403 H467 L479 A481 G540 V541 D542 V555 A557	L389-L465 HydrophobicContact CG-CB 4.47Å; L389-L465 HydrophobicContact CG-CD2 4.23Å; D390-L465 PolarHBondContact N-O 3.49Å; L403-L465 HydrophobicContact CB-CD1 4.01Å; L465-H467 HydrophobicContact CD2-CB 4.19Å; L465-L479 HydrophobicContact CD1-CB 4.46Å; L465-L479 HydrophobicContact CD1-CD2 4.24Å; L465-L479 HydrophobicContact CD2-CB 4.45Å; L465-L479 HydrophobicContact CD2-CD2 4.17Å; L465-A481 HydrophobicContact CB-CB 4.3Å; L465-G540 PolarHBondContact N-O 2.85Å; L465-V541 HydrophobicContact CB-CG2 4.47Å; L465-D542 PolarHBondContact O-N 2.87Å; L465-V555 HydrophobicContact CD1-CG1 4.12Å; L465-A557 HydrophobicContact CB-CB 4.46Å; L465-A557 HydrophobicContact CD1-CB 4.15Å
466	D	64.2	Low	56.7	Low	67 Å²	67	39.4 Å²	39.4	36%	0.358	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	115	-172.6	-113.7	-7.5	0	0	0	109.4	V541 L543	D466-V541 PolarHBondContact N-O 3.38Å; D466-L543 PolarHBondContact O-N 2.85Å
467	H	66.8	Low	57.5	Low	7 Å²	7	39.9 Å²	39.9	3%	0.032	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	99.9	-173.7	-171.3	-34.7	0	0	0	112.3	D390 H391 T392 L465 E469 K477 L479 D542 L543	D390-H467 PolarHBondContact O-N 3.3Å; H391-H467 AromaticContact CD2-CG 3.98Å; H391-H467 AromaticContact CD2-ND1 3.35Å; H391-H467 PolarHBondContact CD2-ND1 3.05Å; H391-H467 VanDerWaalsContact CD2-ND1 3.35Å; H391-H467 AromaticContact CE1-ND1 3.84Å; H391-H467 AromaticContact NE2-CE1 3.67Å; H391-H467 AromaticContact NE2-ND1 2.96Å; H391-H467 PolarHBondContact NE2-ND1 2.93Å; T392-H467 PolarHBondContact N-O 2.92Å; T392-H467 VanDerWaalsContact N-O 3.1Å; L465-H467 HydrophobicContact CD2-CB 4.19Å; H467-E469 IonicContact CE1-OE2 3.81Å; H467-E469 IonicContact NE2-OE1 3.92Å; H467-K477 PolarHBondContact NE2-NZ 2.99Å; H467-L479 HydrophobicContact CB-CD1 4.15Å; H467-D542 PolarHBondContact N-O 3.16Å; H467-L543 HydrophobicContact CB-CD2 4.18Å
468	T	60.4	Low	58.3	Low	35.5 Å²	35.5	41.8 Å²	41.8	22%	0.218	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	101	175.1	-67	0	0	0	0	111.2	K470	T468-K470 HydrophobicContact CG2-CG 4.5Å; T468-K470 PolarHBondContact O-N 2.99Å
469	E	61.4	Low	59.1	Low	10.5 Å²	10.5	41.8 Å²	41.8	5%	0.049	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	136.5	179.4	-162.2	175.7	-153.3	0	0	111.9	T392 K401 H467 S471 L474 K477	T392-E469 PolarHBondContact O-N 3.08Å; K401-E469 IonicContact NZ-OE2 2.99Å; K401-E469 PolarHBondContact NZ-OE2 2.96Å; H467-E469 IonicContact CE1-OE2 3.81Å; H467-E469 IonicContact NE2-OE1 3.92Å; E469-S471 VanDerWaalsContact OE1-O 3.08Å; E469-L474 VanDerWaalsContact CD-CD1 3.47Å; E469-L474 HydrophobicContact CG-CD1 4.29Å; E469-L474 WeakPolarHBondContact OE1-CD1 3.14Å; E469-L474 WeakPolarHBondContact OE1-CG 3.14Å; E469-L474 WeakPolarHBondContact OE2-CD1 3.33Å; E469-L474 VanDerWaalsContact OE2-CG 3.31Å; E469-L474 WeakPolarHBondContact OE2-CG 3.08Å; E469-K477 IonicContact OE1-NZ 2.67Å; E469-K477 PolarHBondContact OE1-NZ 3.49Å
470	K	56	Low	59.7	Low	143.5 Å²	143.5	41.1 Å²	41.1	62%	0.624	24%	0.241	S	C	*	.			trans	-121	10.5	-178.4	-66.9	179.4	-178.2	168.2	0	114.3	T468 T544	T468-K470 HydrophobicContact CG2-CG 4.5Å; T468-K470 PolarHBondContact O-N 2.99Å; K470-T544 PolarHBondContact NZ-O 3.09Å; K470-T544 VanDerWaalsContact NZ-O 3.1Å
471	S	53.2	Low	60.2	Low	25 Å²	25	41 Å²	41	18%	0.175	24%	0.24	C	C	.	.	S	Bend	trans	-134.9	142.2	-174.9	-8.1	0	0	0	0	112	S395 E469 S473 L547	S395-S471 WeakPolarHBondContact CB-O 3.15Å; S395-S471 PolarHBondContact OG-O 3.01Å; E469-S471 VanDerWaalsContact OE1-O 3.08Å; S471-S473 PolarHBondContact O-N 2.91Å; S471-L547 WeakPolarHBondContact CB-O 3.48Å; S471-L547 PolarHBondContact OG-O 2.71Å
472	P	42.5	Very low	60.7	Low	91.5 Å²	91.5	39.1 Å²	39.1	59%	0.594	23%	0.229	S	C	*	.	S	Bend	trans	-84.8	118	-178.3	33.4	-34.8	0	0	0	113.2
473	S	46.2	Very low	61.5	Low	70.5 Å²	70.5	36 Å²	36	49%	0.493	21%	0.212	S	C	.	.			trans	131.9	94	167	58.8	0	0	0	0	116.2	S471	S471-S473 PolarHBondContact O-N 2.91Å
474	L	50.4	Low	61.8	Low	20.5 Å²	20.5	40.9 Å²	40.9	11%	0.107	23%	0.23	C	C	.	.			trans	-132	97.7	170.1	-67.4	-177.4	0	0	0	111.5	L398 E469 K477 V550 L551 Y552	L398-L474 HydrophobicContact CD2-CB 3.87Å; E469-L474 VanDerWaalsContact CD-CD1 3.47Å; E469-L474 HydrophobicContact CG-CD1 4.29Å; E469-L474 WeakPolarHBondContact OE1-CD1 3.14Å; E469-L474 WeakPolarHBondContact OE1-CG 3.14Å; E469-L474 WeakPolarHBondContact OE2-CD1 3.33Å; E469-L474 VanDerWaalsContact OE2-CG 3.31Å; E469-L474 WeakPolarHBondContact OE2-CG 3.08Å; L474-K477 HydrophobicContact CB-CD 3.94Å; L474-K477 HydrophobicContact CB-CG 4.22Å; L474-K477 HydrophobicContact CD1-CD 4.14Å; L474-K477 HydrophobicContact CD2-CD 3.82Å; L474-K477 HydrophobicContact CD2-CG 4.26Å; L474-K477 VanDerWaalsContact CD2-NZ 3.35Å; L474-K477 HydrophobicContact CG-CD 4.34Å; L474-V550 HydrophobicContact CB-CG1 3.72Å; L474-V550 HydrophobicContact CB-CG2 4.38Å; L474-V550 HydrophobicContact CD1-CG1 4.44Å; L474-L551 PolarHBondContact O-N 3.45Å; L474-Y552 HydrophobicContact CD1-CE1 4.4Å
475	V	47.8	Very low	61.6	Low	97.5 Å²	97.5	40.3 Å²	40.3	59%	0.591	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.3	133.7	174.5	-178.9	0	0	0	0	109	K477	V475-K477 VanDerWaalsContact C-N 3.28Å; V475-K477 PolarHBondContact O-N 2.85Å
476	G	59.6	Low	61.1	Low	39.5 Å²	39.5	42.1 Å²	42.1	41%	0.407	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.6	21.6	171.8	0	0	0	0	0	116.6	V399 G400	V399-G476 PolarHBondContact O-N 3.35Å; V399-G476 VanDerWaalsContact O-N 3.09Å; G400-G476 WeakPolarHBondContact O-CA 3.26Å
477	K	62.1	Low	60.6	Low	16 Å²	16	39.3 Å²	39.3	7%	0.07	22%	0.22	C	C	.	.			trans	-83.3	144.2	172.4	-71	-167.1	178.9	-177.7	0	111.5	K401 K402 H467 E469 L474 V475 V550 Y552	K401-K477 WeakPolarHBondContact CA-O 2.98Å; K401-K477 HydrophobicContact CB-CG 4.36Å; K402-K477 PolarHBondContact N-O 3Å; K402-K477 VanDerWaalsContact N-O 3.08Å; H467-K477 PolarHBondContact NE2-NZ 2.99Å; E469-K477 IonicContact OE1-NZ 2.67Å; E469-K477 PolarHBondContact OE1-NZ 3.49Å; L474-K477 HydrophobicContact CB-CD 3.94Å; L474-K477 HydrophobicContact CB-CG 4.22Å; L474-K477 HydrophobicContact CD1-CD 4.14Å; L474-K477 HydrophobicContact CD2-CD 3.82Å; L474-K477 HydrophobicContact CD2-CG 4.26Å; L474-K477 VanDerWaalsContact CD2-NZ 3.35Å; L474-K477 HydrophobicContact CG-CD 4.34Å; V475-K477 VanDerWaalsContact C-N 3.28Å; V475-K477 PolarHBondContact O-N 2.85Å; K477-V550 PolarHBondContact NZ-O 2.87Å; K477-Y552 HydrophobicContact CB-CD1 4.29Å; K477-Y552 HydrophobicContact CB-CE1 4.18Å; K477-Y552 WeakPolarHBondContact CD-O 3.1Å; K477-Y552 WeakPolarHBondContact CE-O 3.19Å; K477-Y552 PolarHBondContact NZ-O 3.07Å
478	K	66.6	Low	59.6	Low	62.5 Å²	62.5	43.2 Å²	43.2	27%	0.272	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	125.5	172.5	179.1	169.8	174.2	-169.2	0	110.4	K402 L403 E553 N554 V555	K402-K478 HydrophobicContact CB-CG 4.34Å; K402-K478 HydrophobicContact CG-CB 4.46Å; K402-K478 WeakPolarHBondContact CG-O 3.36Å; K402-K478 WeakPolarHBondContact O-CA 3.36Å; L403-K478 PolarHBondContact N-O 2.84Å; K478-E553 PolarHBondContact N-O 2.88Å; K478-N554 HydrophobicContact CB-CB 4.48Å; K478-N554 HydrophobicContact CD-CB 3.63Å; K478-N554 HydrophobicContact CG-CB 3.79Å; K478-N554 PolarHBondContact NZ-OD1 2.92Å; K478-N554 WeakPolarHBondContact O-CA 3.48Å; K478-V555 PolarHBondContact O-N 3.48Å
479	L	71.8	Confident	58.8	Low	4 Å²	4	42.4 Å²	42.4	2%	0.021	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	129.7	174.3	-56.9	179.7	0	0	0	108.7	L389 H391 K402 L403 Q404 L465 H467 V541 L543 N554 V555 Q556	L389-L479 HydrophobicContact CD1-CB 4.39Å; H391-L479 VanDerWaalsContact CD2-CD1 3.49Å; H391-L479 WeakPolarHBondContact CD2-CD1 3.35Å; K402-L479 PolarHBondContact O-N 2.84Å; L403-L479 HydrophobicContact CB-CD2 3.92Å; L403-L479 HydrophobicContact CD1-CD2 3.62Å; L403-L479 HydrophobicContact CD2-CB 3.84Å; L403-L479 HydrophobicContact CD2-CD1 3.73Å; L403-L479 HydrophobicContact CD2-CG 4.01Å; L403-L479 HydrophobicContact CG-CD2 4.36Å; Q404-L479 PolarHBondContact N-O 2.83Å; L465-L479 HydrophobicContact CD1-CB 4.46Å; L465-L479 HydrophobicContact CD1-CD2 4.24Å; L465-L479 HydrophobicContact CD2-CB 4.45Å; L465-L479 HydrophobicContact CD2-CD2 4.17Å; H467-L479 HydrophobicContact CB-CD1 4.15Å; L479-V541 HydrophobicContact CB-CG1 4.28Å; L479-V541 HydrophobicContact CD1-CG1 3.58Å; L479-L543 HydrophobicContact CD1-CD2 4.28Å; L479-N554 PolarHBondContact N-O 3.12Å; L479-V555 WeakPolarHBondContact CA-O 3Å; L479-V555 HydrophobicContact CB-CG1 4.46Å; L479-V555 HydrophobicContact CD1-CG2 4.42Å; L479-V555 HydrophobicContact CD2-CB 3.66Å; L479-V555 HydrophobicContact CD2-CG2 3.87Å; L479-Q556 PolarHBondContact O-N 2.87Å
480	Q	70.2	Confident	57.4	Low	27.5 Å²	27.5	44.9 Å²	44.9	13%	0.129	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	116.9	-177.3	-174.6	172	14.6	0	0	112.2	L403 Q404 A405 T482 V555 Q556 A557	L403-Q480 PolarHBondContact O-N 3.29Å; Q404-Q480 WeakPolarHBondContact CA-O 3.38Å; Q404-Q480 HydrophobicContact CB-CG 4.46Å; Q404-Q480 VanDerWaalsContact O-CA 3.29Å; Q404-Q480 WeakPolarHBondContact O-CA 3.26Å; A405-Q480 PolarHBondContact N-O 2.97Å; Q480-T482 WeakPolarHBondContact CG-OG1 3.28Å; Q480-T482 PolarHBondContact NE2-OG1 3.08Å; Q480-V555 PolarHBondContact N-O 2.92Å; Q480-Q556 WeakPolarHBondContact CA-O 3.24Å; Q480-Q556 HydrophobicContact CB-CG 4.23Å; Q480-Q556 HydrophobicContact CG-CG 4.38Å; Q480-Q556 VanDerWaalsContact O-CA 3.32Å; Q480-Q556 WeakPolarHBondContact O-CA 3.11Å; Q480-A557 PolarHBondContact O-N 3.25Å
481	A	70.5	Confident	56.4	Low	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	135.3	164	0	0	0	0	0	108.6	G388 L389 Q404 T406 L465 Q556 T558	G388-A481 VanDerWaalsContact O-CB 3.27Å; G388-A481 WeakPolarHBondContact O-CB 3.24Å; L389-A481 HydrophobicContact CB-CB 4.35Å; L389-A481 HydrophobicContact CD1-CB 4.43Å; Q404-A481 PolarHBondContact O-N 2.87Å; T406-A481 PolarHBondContact N-O 3.39Å; L465-A481 HydrophobicContact CB-CB 4.3Å; A481-Q556 PolarHBondContact N-O 3.24Å; A481-T558 PolarHBondContact O-N 3.47Å; A481-T558 VanDerWaalsContact O-N 3.17Å
482	T	70.2	Confident	55.4	Low	12 Å²	12	44 Å²	44	7%	0.074	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	123.5	-179.9	-64.8	0	0	0	0	112.9	A405 T406 M407 Q480 R484 A557 T558 M559	A405-T482 PolarHBondContact O-N 3.35Å; A405-T482 VanDerWaalsContact O-N 3.14Å; T406-T482 VanDerWaalsContact CA-O 3.29Å; T406-T482 WeakPolarHBondContact CA-O 3.32Å; T406-T482 VanDerWaalsContact O-CA 3.25Å; T406-T482 WeakPolarHBondContact O-CA 3.12Å; M407-T482 PolarHBondContact N-O 3.36Å; Q480-T482 WeakPolarHBondContact CG-OG1 3.28Å; Q480-T482 PolarHBondContact NE2-OG1 3.08Å; T482-R484 HydrophobicContact CG2-CG 4.12Å; T482-A557 PolarHBondContact N-O 2.78Å; T482-T558 WeakPolarHBondContact CA-O 3.31Å; T482-T558 VanDerWaalsContact O-CA 3.27Å; T482-T558 WeakPolarHBondContact O-CA 3.37Å; T482-M559 PolarHBondContact O-N 3.12Å; T482-M559 VanDerWaalsContact O-N 3.11Å
483	M	73.6	Confident	54.6	Low	1 Å²	1	44.7 Å²	44.7	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	132.5	171.8	-174.2	166.5	175	0	0	109	T384 V387 T406 R408 T460 V463 Q485 T536 T558 M559 R560	T384-M483 HydrophobicContact CG2-CE 3.83Å; T384-M483 HydrophobicContact CG2-SD 3.73Å; T384-M483 WeakPolarHBondContact OG1-CE 3.35Å; V387-M483 HydrophobicContact CG1-CB 4.36Å; V387-M483 HydrophobicContact CG2-CB 4.02Å; V387-M483 HydrophobicContact CG2-CG 4.47Å; V387-M483 HydrophobicContact CG2-SD 3.58Å; V387-M483 VanDerWaalsContact CG2-SD 3.58Å; T406-M483 PolarHBondContact O-N 3.36Å; R408-M483 PolarHBondContact N-O 3.22Å; T460-M483 HydrophobicContact CG2-CE 3.99Å; T460-M483 HydrophobicContact CG2-SD 4.44Å; V463-M483 HydrophobicContact CB-SD 4.46Å; V463-M483 HydrophobicContact CG2-CG 4.4Å; V463-M483 HydrophobicContact CG2-SD 4.09Å; M483-Q485 HydrophobicContact CE-CG 4.2Å; M483-Q485 VanDerWaalsContact CE-OE1 3.25Å; M483-T536 HydrophobicContact SD-CG2 4.15Å; M483-T558 PolarHBondContact N-O 2.82Å; M483-M559 HydrophobicContact CB-CG 4.48Å; M483-M559 HydrophobicContact CE-CE 4.14Å; M483-M559 HydrophobicContact CG-CE 4.24Å; M483-M559 HydrophobicContact SD-CE 4.33Å; M483-R560 PolarHBondContact O-N 2.89Å
484	R	68.4	Low	53.9	Low	106.5 Å²	106.5	44.8 Å²	44.8	40%	0.402	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	121.4	170.4	-72	-171.9	178.7	-150.3	2.7	109.6	M407 R408 Q409 T482 M559 R560 Q561	M407-R484 PolarHBondContact O-N 2.82Å; R408-R484 WeakPolarHBondContact CA-O 3.33Å; R408-R484 HydrophobicContact CB-CG 4.47Å; R408-R484 HydrophobicContact CG-CB 4.26Å; R408-R484 WeakPolarHBondContact O-CA 3.46Å; Q409-R484 PolarHBondContact N-O 2.83Å; T482-R484 HydrophobicContact CG2-CG 4.12Å; R484-M559 PolarHBondContact N-O 2.95Å; R484-R560 WeakPolarHBondContact CA-O 3.26Å; R484-R560 HydrophobicContact CG-CB 4.27Å; R484-R560 WeakPolarHBondContact O-CA 3.39Å; R484-Q561 PolarHBondContact O-N 2.92Å
485	Q	63.1	Low	52.9	Low	6.5 Å²	6.5	48.1 Å²	48.1	3%	0.03	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	134.5	164.9	-84.2	161.3	-24.6	0	0	108.3	F382 R408 Q409 S410 M483 F534 R560 Q561 S562	F382-Q485 HydrophobicContact CE1-CB 4.27Å; F382-Q485 HydrophobicContact CE1-CG 4.28Å; F382-Q485 VanDerWaalsContact CE1-OE1 3.29Å; F382-Q485 HydrophobicContact CZ-CB 4.33Å; R408-Q485 PolarHBondContact O-N 2.84Å; Q409-Q485 WeakPolarHBondContact CA-O 3.45Å; Q409-Q485 HydrophobicContact CB-CG 3.92Å; Q409-Q485 HydrophobicContact CG-CB 4Å; Q409-Q485 WeakPolarHBondContact O-CA 3.28Å; S410-Q485 PolarHBondContact N-O 2.84Å; M483-Q485 HydrophobicContact CE-CG 4.2Å; M483-Q485 VanDerWaalsContact CE-OE1 3.25Å; Q485-F534 HydrophobicContact CB-CE1 4.35Å; Q485-R560 PolarHBondContact N-O 2.86Å; Q485-R560 VanDerWaalsContact N-O 3.09Å; Q485-Q561 WeakPolarHBondContact CA-O 3.18Å; Q485-Q561 HydrophobicContact CG-CB 4.04Å; Q485-Q561 WeakPolarHBondContact O-CA 3.02Å; Q485-S562 PolarHBondContact O-N 2.89Å
486	S	58.1	Low	52.3	Low	39.5 Å²	39.5	46.4 Å²	46.4	28%	0.276	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	131.5	172.8	52.2	0	0	0	0	109.7	Q409 S410 V411 Q561 S562 V563	Q409-S486 PolarHBondContact O-N 3.02Å; S410-S486 WeakPolarHBondContact CA-O 3.36Å; S410-S486 VanDerWaalsContact O-CA 3.28Å; S410-S486 WeakPolarHBondContact O-CA 3.47Å; V411-S486 PolarHBondContact N-O 2.86Å; S486-Q561 PolarHBondContact N-O 2.8Å; S486-S562 WeakPolarHBondContact CA-O 3.07Å; S486-S562 VanDerWaalsContact O-CA 3.31Å; S486-S562 WeakPolarHBondContact O-CA 3.23Å; S486-V563 PolarHBondContact O-N 2.85Å
487	V	54.4	Low	50.9	Low	8.5 Å²	8.5	49.3 Å²	49.3	5%	0.052	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	122.7	169.5	-168.4	0	0	0	0	106.7	F382 S410 V411 E412 N489 S562 V563 E564	F382-V487 HydrophobicContact CE2-CG2 4.15Å; F382-V487 HydrophobicContact CZ-CG2 4.03Å; S410-V487 PolarHBondContact O-N 3.46Å; V411-V487 HydrophobicContact CG2-CB 4.39Å; V411-V487 HydrophobicContact CG2-CG2 4.28Å; E412-V487 PolarHBondContact N-O 3.21Å; V487-N489 WeakPolarHBondContact CG1-ND2 3.24Å; V487-N489 VanDerWaalsContact CG1-OD1 3.28Å; V487-N489 WeakPolarHBondContact CG1-OD1 3.44Å; V487-S562 PolarHBondContact N-O 2.81Å; V487-S562 VanDerWaalsContact N-O 3.08Å; V487-V563 HydrophobicContact CG1-CB 4.43Å; V487-V563 WeakPolarHBondContact O-CA 3.33Å; V487-E564 PolarHBondContact O-N 3.29Å; V487-E564 VanDerWaalsContact O-N 3.09Å
488	E	44.5	Very low	49.5	Very low	90 Å²	90	51.3 Å²	51.3	42%	0.421	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	102.7	-173.5	-163.4	166.7	164.2	0	0	107.8	V411 N413 V563 N565	V411-E488 PolarHBondContact O-N 2.96Å; N413-E488 PolarHBondContact N-O 3.11Å; E488-V563 PolarHBondContact N-O 3.07Å; E488-N565 PolarHBondContact O-N 3.32Å
489	N	44.4	Very low	47.8	Very low	18 Å²	18	52.8 Å²	52.8	10%	0.096	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	102.5	-169.9	-69.6	-46	0	0	0	109.3	E412 N413 T414 D419 P420 V487 E564 N565	E412-N489 PolarHBondContact O-N 2.67Å; N413-N489 PolarHBondContact ND2-OD1 2.81Å; N413-N489 PolarHBondContact OD1-ND2 3.07Å; T414-N489 PolarHBondContact N-O 3.16Å; D419-N489 VanDerWaalsContact C-CG 3.41Å; D419-N489 HydrophobicContact CB-CB 3.83Å; D419-N489 WeakPolarHBondContact CB-OD1 3.37Å; D419-N489 WeakPolarHBondContact O-CB 3.38Å; D419-N489 PolarHBondContact O-ND2 2.91Å; D419-N489 VanDerWaalsContact O-ND2 3.11Å; P420-N489 WeakPolarHBondContact CA-ND2 2.98Å; P420-N489 WeakPolarHBondContact CB-ND2 3.28Å; V487-N489 WeakPolarHBondContact CG1-ND2 3.24Å; V487-N489 VanDerWaalsContact CG1-OD1 3.28Å; V487-N489 WeakPolarHBondContact CG1-OD1 3.44Å; N489-E564 PolarHBondContact N-O 2.89Å; N489-E564 VanDerWaalsContact N-O 3.13Å; N489-N565 WeakPolarHBondContact CB-OD1 3.39Å; N489-N565 PolarHBondContact ND2-OD1 2.87Å
490	T	32.7	Very low	45.8	Very low	63.5 Å²	63.5	55.5 Å²	55.5	39%	0.39	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	98.5	-178.3	-62.5	0	0	0	0	109.8	N413 T492	N413-T490 PolarHBondContact O-N 2.84Å; T490-T492 VanDerWaalsContact C-N 3.3Å; T490-T492 HydrophobicContact CG2-CG2 3.91Å; T490-T492 PolarHBondContact O-N 3.28Å
491	S	34.4	Very low	43.9	Very low	55 Å²	55	58.8 Å²	58.8	39%	0.385	33%	0.331	S	S	.	.			trans	-89	113.4	172.4	-174.7	0	0	0	0	110.2	T416 Q417 Q493	T416-S491 WeakPolarHBondContact O-CB 3.46Å; T416-S491 PolarHBondContact OG1-O 3.18Å; T416-S491 VanDerWaalsContact OG1-O 3.08Å; Q417-S491 WeakPolarHBondContact O-CB 3.5Å; Q417-S491 PolarHBondContact O-OG 2.73Å; S491-Q493 PolarHBondContact OG-N 2.68Å
492	T	31.8	Very low	42.1	Very low	94 Å²	94	61.4 Å²	61.4	58%	0.577	35%	0.346	S	S	*	.			trans	-106.2	127.9	145.3	50.1	0	0	0	0	112.1	S415 T490	S415-T492 PolarHBondContact O-OG1 2.84Å; T490-T492 VanDerWaalsContact C-N 3.3Å; T490-T492 HydrophobicContact CG2-CG2 3.91Å; T490-T492 PolarHBondContact O-N 3.28Å
493	Q	26.7	Very low	40.4	Very low	106.5 Å²	106.5	67.4 Å²	67.4	50%	0.498	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-20.9	120.1	175.2	174.1	-167	-45.3	0	0	114.7	S491 D495 S567	S491-Q493 PolarHBondContact OG-N 2.68Å; Q493-D495 PolarHBondContact NE2-OD1 2.82Å; Q493-S567 WeakPolarHBondContact O-CA 3.38Å; Q493-S567 WeakPolarHBondContact O-CB 3.2Å; Q493-S567 PolarHBondContact O-N 3.08Å
494	T	29.9	Very low	38.8	Very low	71.5 Å²	71.5	70 Å²	70	44%	0.439	40%	0.396	S	S	.	.			trans	-18.3	122.4	147.2	0.7	0	0	0	0	120.7	D419 S567	D419-T494 WeakPolarHBondContact OD2-CG2 3.42Å; T494-S567 WeakPolarHBondContact O-CA 3.1Å; T494-S567 WeakPolarHBondContact O-CB 3.31Å; T494-S567 PolarHBondContact O-N 3.4Å; T494-S567 PolarHBondContact O-OG 3.16Å
495	D	31.2	Very low	37.8	Very low	90.5 Å²	90.5	66.2 Å²	66.2	48%	0.484	39%	0.385	S	S	.	.			trans	-123.9	127.2	154.3	-102.7	-18.2	0	0	0	115.3	Q493 R531	Q493-D495 PolarHBondContact NE2-OD1 2.82Å; D495-R531 IonicContact OD1-CZ 3Å; D495-R531 IonicContact OD1-NH1 2.71Å; D495-R531 IonicContact OD1-NH2 3.08Å; D495-R531 PolarHBondContact OD1-NH2 3.03Å
496	P	33.4	Very low	37.2	Very low	61 Å²	61	70.2 Å²	70.2	40%	0.396	40%	0.403	S	S	.	.			trans	-104.2	158.3	-179.8	36.3	-32.2	0	0	0	115.1	P456 A498 V563	P456-P496 HydrophobicContact CB-CG 4.49Å; P456-P496 HydrophobicContact CG-CB 4.19Å; P456-P496 HydrophobicContact CG-CG 3.66Å; P496-A498 PolarHBondContact O-N 3.05Å; P496-A498 VanDerWaalsContact O-N 3.11Å; P496-V563 HydrophobicContact CB-CG1 4.03Å
497	M	31.6	Very low	37.4	Very low	101 Å²	101	69.3 Å²	69.3	50%	0.498	40%	0.396	S	S	.	.			trans	-106.2	130.8	176.2	-65.6	178.9	66.9	0	0	118.1	Q499 P532 F534 L609	M497-Q499 PolarHBondContact O-N 2.83Å; M497-P532 HydrophobicContact CB-CG 3.73Å; M497-P532 HydrophobicContact CE-CB 4.25Å; M497-P532 HydrophobicContact CE-CG 3.65Å; M497-P532 HydrophobicContact CG-CG 3.62Å; M497-P532 HydrophobicContact SD-CG 4.47Å; M497-F534 WeakPolarHBondContact O-CE1 3.28Å; M497-F534 VanDerWaalsContact O-CZ 3.22Å; M497-F534 WeakPolarHBondContact O-CZ 3.14Å; M497-L609 HydrophobicContact CE-CB 4.21Å; M497-L609 HydrophobicContact CE-CD1 3.68Å; M497-L609 HydrophobicContact CE-CG 3.88Å; M497-L609 HydrophobicContact SD-CD1 3.92Å
498	A	32.6	Very low	38	Very low	59 Å²	59	69.9 Å²	69.9	49%	0.488	40%	0.399	S	S	.	.			trans	-150.1	84	147.3	0	0	0	0	0	118.9	P496 V500 P532 V533 F534 H535 L609	P496-A498 PolarHBondContact O-N 3.05Å; P496-A498 VanDerWaalsContact O-N 3.11Å; A498-V500 PolarHBondContact O-N 2.82Å; A498-P532 PolarHBondContact N-O 3.08Å; A498-V533 VanDerWaalsContact C-C 3.48Å; A498-V533 CarbonylContact C-O 3.52Å; A498-V533 WeakPolarHBondContact CA-O 3.41Å; A498-V533 PolarHBondContact N-O 2.82Å; A498-F534 CarbonylContact O-C 3.58Å; A498-F534 WeakPolarHBondContact O-CA 3.37Å; A498-H535 WeakPolarHBondContact O-CB 3.18Å; A498-H535 PolarHBondContact O-N 3Å; A498-L609 HydrophobicContact CB-CB 3.91Å
499	Q	29.4	Very low	39.5	Very low	93 Å²	93	66.9 Å²	66.9	44%	0.435	39%	0.385	S	S	.	.			trans	14.7	44.6	162.4	-70	-144.8	-12.1	0	0	125.9	M497 V533 H535 D608 L609	M497-Q499 PolarHBondContact O-N 2.83Å; Q499-V533 PolarHBondContact N-O 3.01Å; Q499-H535 VanDerWaalsContact C-CG 3.49Å; Q499-H535 WeakPolarHBondContact CA-ND1 3.35Å; Q499-H535 HydrophobicContact CB-CB 4.35Å; Q499-H535 WeakPolarHBondContact CB-ND1 3.13Å; Q499-H535 PolarHBondContact O-CE1 2.88Å; Q499-H535 VanDerWaalsContact O-CE1 3.28Å; Q499-H535 PolarHBondContact O-ND1 2.86Å; Q499-D608 HydrophobicContact CG-CB 4.24Å; Q499-D608 VanDerWaalsContact CG-OD1 3.26Å; Q499-D608 WeakPolarHBondContact CG-OD1 3.16Å; Q499-D608 PolarHBondContact NE2-OD1 3.11Å; Q499-D608 PolarHBondContact NE2-OD2 3.49Å; Q499-L609 WeakPolarHBondContact CB-O 2.78Å; Q499-L609 WeakPolarHBondContact CG-O 3.45Å
500	V	30	Very low	41.1	Very low	60 Å²	60	69.5 Å²	69.5	36%	0.364	40%	0.399	S	S	.	.			trans	-71.8	149.1	179.7	-151.8	0	0	0	0	110.9	Q423 H459 A498 T502 V533 F534 H535	Q423-V500 PolarHBondContact NE2-O 3.03Å; Q423-V500 PolarHBondContact OE1-O 2.81Å; H459-V500 HydrophobicContact CB-CB 3.61Å; H459-V500 HydrophobicContact CB-CG2 3.27Å; A498-V500 PolarHBondContact O-N 2.82Å; V500-T502 PolarHBondContact O-N 2.84Å; V500-V533 WeakPolarHBondContact O-CG1 3.25Å; V500-F534 WeakPolarHBondContact CG2-O 2.78Å; V500-F534 PolarHBondContact N-O 2.83Å; V500-H535 WeakPolarHBondContact CA-ND1 3.21Å; V500-H535 WeakPolarHBondContact CG1-CD2 2.93Å; V500-H535 WeakPolarHBondContact CG1-NE2 3.35Å; V500-H535 HydrophobicContact CG2-CB 4.1Å; V500-H535 VanDerWaalsContact N-CA 3.33Å; V500-H535 PolarHBondContact N-ND1 2.96Å
501	P	31	Very low	43	Very low	98.5 Å²	98.5	68.1 Å²	68.1	64%	0.64	39%	0.39	S	S	*	.			trans	-99.3	103.2	-150.7	29.3	-21.4	0	0	0	113.8
502	T	31.7	Very low	45	Very low	53.5 Å²	53.5	65.8 Å²	65.8	33%	0.328	37%	0.374	S	S	.	.			trans	-80.4	136.6	171.3	-63.9	0	0	0	0	110.4	Q423 V424 L428 V500 L504	Q423-T502 WeakPolarHBondContact CG-OG1 3.27Å; Q423-T502 PolarHBondContact NE2-OG1 2.84Å; V424-T502 PolarHBondContact O-OG1 2.58Å; L428-T502 HydrophobicContact CD1-CG2 3.9Å; V500-T502 PolarHBondContact O-N 2.84Å; T502-L504 VanDerWaalsContact C-N 3.34Å; T502-L504 HydrophobicContact CG2-CD1 4.29Å; T502-L504 HydrophobicContact CG2-CG 4.47Å; T502-L504 PolarHBondContact O-N 3.24Å
503	V	35.8	Very low	46.9	Very low	138 Å²	138	62.6 Å²	62.6	84%	0.836	35%	0.354	S	S	*	.			trans	-78.2	93.2	171.9	-177.5	0	0	0	0	108.6
504	L	40	Very low	49.1	Very low	55.5 Å²	55.5	59.3 Å²	59.3	29%	0.291	34%	0.339	S	S	.	.			trans	-67.3	144.8	-178	-74.3	116.7	0	0	0	112.5	E454 V457 T502 L580 P581	E454-L504 WeakPolarHBondContact OE1-CD2 3.47Å; V457-L504 HydrophobicContact CG2-CD2 4.47Å; T502-L504 VanDerWaalsContact C-N 3.34Å; T502-L504 HydrophobicContact CG2-CD1 4.29Å; T502-L504 HydrophobicContact CG2-CG 4.47Å; T502-L504 PolarHBondContact O-N 3.24Å; L504-L580 HydrophobicContact CD1-CD2 3.68Å; L504-P581 HydrophobicContact CB-CG 4.35Å; L504-P581 WeakPolarHBondContact O-CG 3.38Å
505	P	46.5	Very low	50.8	Low	26.5 Å²	26.5	57.4 Å²	57.4	17%	0.172	33%	0.329	C	S	.	.			trans	-69.6	155	173.1	32.6	-35.8	0	0	0	110.4	L428 P429 K430 T507	L428-P505 HydrophobicContact CB-CB 3.98Å; L428-P505 HydrophobicContact CB-CG 4.16Å; L428-P505 HydrophobicContact CD1-CG 4.38Å; L428-P505 WeakPolarHBondContact O-CG 3.37Å; P429-P505 VanDerWaalsContact O-CB 3.24Å; P429-P505 WeakPolarHBondContact O-CB 3.22Å; K430-P505 HydrophobicContact CB-CB 4.48Å; P505-T507 PolarHBondContact O-N 2.82Å
506	K	50.6	Low	52.6	Low	91 Å²	91	53.9 Å²	53.9	40%	0.396	31%	0.314	S	S	.	.			trans	-87.6	93.9	173.8	-170.8	-164.1	175.6	-172.7	0	111.1	K430 T508 K582 T584	K430-K506 WeakPolarHBondContact CD-O 3.09Å; K430-K506 WeakPolarHBondContact CE-O 2.93Å; K430-K506 WeakPolarHBondContact CG-O 3.23Å; K506-T508 HydrophobicContact CD-CG2 3.75Å; K506-T508 HydrophobicContact CG-CG2 4.39Å; K506-K582 WeakPolarHBondContact CE-O 3.28Å; K506-K582 WeakPolarHBondContact CG-O 3.28Å; K506-T584 WeakPolarHBondContact CE-OG1 3.36Å; K506-T584 VanDerWaalsContact NZ-CG2 3.25Å; K506-T584 PolarHBondContact NZ-OG1 3.13Å
507	T	63	Low	54.4	Low	21 Å²	21	52.4 Å²	52.4	13%	0.129	30%	0.303	C	S	.	.			trans	-70.4	149.4	167.7	-50.6	0	0	0	0	110.4	F433 P505 F509	F433-T507 HydrophobicContact CD2-CG2 4.15Å; F433-T507 HydrophobicContact CE2-CG2 4.13Å; P505-T507 PolarHBondContact O-N 2.82Å; T507-F509 HydrophobicContact CG2-CD2 4.18Å; T507-F509 HydrophobicContact CG2-CE1 4.2Å; T507-F509 HydrophobicContact CG2-CE2 3.52Å; T507-F509 VanDerWaalsContact CG2-CE2 3.48Å; T507-F509 HydrophobicContact CG2-CZ 3.67Å
508	T	67.6	Low	56.2	Low	21 Å²	21	49 Å²	49	13%	0.129	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	139.3	173.1	55.8	0	0	0	0	109.4	K430 T432 F433 K506	K430-T508 VanDerWaalsContact NZ-CG2 3.34Å; K430-T508 PolarHBondContact NZ-OG1 3.1Å; T432-T508 WeakPolarHBondContact CG2-OG1 3.42Å; F433-T508 PolarHBondContact N-O 3.26Å; K506-T508 HydrophobicContact CD-CG2 3.75Å; K506-T508 HydrophobicContact CG-CG2 4.39Å
509	F	75.6	Confident	58	Low	26 Å²	26	48.7 Å²	48.7	11%	0.114	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	132.4	177.2	-57.6	-93.3	0	0	0	108.3	F433 V436 T507 V512 T583 T584 F585 D586	F433-F509 HydrophobicContact CB-CD1 3.72Å; F433-F509 HydrophobicContact CB-CE1 4.11Å; F433-F509 AromaticContact CD2-CD1 3.76Å; F433-F509 HydrophobicContact CD2-CD1 3.76Å; F433-F509 AromaticContact CD2-CE1 3.32Å; F433-F509 HydrophobicContact CD2-CE1 3.32Å; F433-F509 AromaticContact CD2-CZ 3.84Å; F433-F509 HydrophobicContact CD2-CZ 3.96Å; F433-F509 AromaticContact CE2-CE1 3.86Å; F433-F509 HydrophobicContact CE2-CE1 3.86Å; F433-F509 HydrophobicContact CE2-CZ 4.19Å; F433-F509 AromaticContact CG-CD1 3.91Å; F433-F509 HydrophobicContact CG-CD1 3.99Å; F433-F509 AromaticContact CG-CE1 3.84Å; F433-F509 HydrophobicContact CG-CE1 3.84Å; F433-F509 VanDerWaalsContact O-CA 3.29Å; F433-F509 WeakPolarHBondContact O-CA 3.17Å; V436-F509 HydrophobicContact CB-CD1 4.5Å; V436-F509 HydrophobicContact CG2-CD1 3.83Å; V436-F509 HydrophobicContact CG2-CE1 4.1Å; T507-F509 HydrophobicContact CG2-CD2 4.18Å; T507-F509 HydrophobicContact CG2-CE1 4.2Å; T507-F509 HydrophobicContact CG2-CE2 3.52Å; T507-F509 VanDerWaalsContact CG2-CE2 3.48Å; T507-F509 HydrophobicContact CG2-CZ 3.67Å; F509-V512 HydrophobicContact CB-CG2 3.62Å; F509-V512 HydrophobicContact CD1-CG2 3.95Å; F509-V512 HydrophobicContact CG-CG2 3.9Å; F509-T583 HydrophobicContact CD2-CG2 4.06Å; F509-T583 HydrophobicContact CE2-CG2 4.03Å; F509-T584 PolarHBondContact N-O 3.19Å; F509-F585 HydrophobicContact CB-CD1 3.74Å; F509-F585 HydrophobicContact CB-CE1 4.2Å; F509-F585 AromaticContact CD2-CD1 3.73Å; F509-F585 HydrophobicContact CD2-CD1 3.73Å; F509-F585 AromaticContact CD2-CE1 3.34Å; F509-F585 HydrophobicContact CD2-CE1 3.34Å; F509-F585 VanDerWaalsContact CD2-CE1 3.4Å; F509-F585 AromaticContact CD2-CZ 3.95Å; F509-F585 HydrophobicContact CD2-CZ 4.1Å; F509-F585 AromaticContact CE2-CE1 3.83Å; F509-F585 HydrophobicContact CE2-CE1 3.83Å; F509-F585 HydrophobicContact CE2-CZ 4.29Å; F509-F585 AromaticContact CG-CD1 3.88Å; F509-F585 HydrophobicContact CG-CD1 3.98Å; F509-F585 AromaticContact CG-CE1 3.77Å; F509-F585 HydrophobicContact CG-CE1 3.89Å; F509-F585 VanDerWaalsContact O-CA 3.28Å; F509-F585 WeakPolarHBondContact O-CA 3.34Å; F509-D586 PolarHBondContact O-N 3.11Å; F509-D586 VanDerWaalsContact O-N 3.1Å
510	D	77.8	Confident	59.6	Low	73.5 Å²	73.5	45.2 Å²	45.2	39%	0.393	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	-47.9	177.4	-67.9	17.5	0	0	0	109.8	F433 D434 D586 V587	F433-D510 PolarHBondContact O-N 3.13Å; F433-D510 VanDerWaalsContact O-N 3.1Å; D434-D510 WeakPolarHBondContact O-CB 3.26Å; D434-D510 PolarHBondContact O-N 2.94Å; D510-D586 CarbonylContact O-C 3.56Å; D510-D586 WeakPolarHBondContact O-CA 3.4Å; D510-D586 WeakPolarHBondContact O-CB 3.38Å; D510-D586 PolarHBondContact O-N 3.35Å; D510-D586 VanDerWaalsContact O-N 3.08Å; D510-V587 PolarHBondContact O-N 3.14Å
511	V	72.4	Confident	60.8	Low	33.5 Å²	33.5	44.2 Å²	44.2	20%	0.203	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	128.6	174.2	-175.9	0	0	0	0	112.1	D434 V435 V436 V587 V839	D434-V511 PolarHBondContact O-N 3Å; V435-V511 CarbonylContact C-O 3.56Å; V435-V511 WeakPolarHBondContact CA-O 3.18Å; V435-V511 HydrophobicContact CG1-CB 4.36Å; V435-V511 HydrophobicContact CG1-CG1 4.49Å; V435-V511 HydrophobicContact CG2-CB 4.27Å; V435-V511 HydrophobicContact CG2-CG2 4.45Å; V436-V511 PolarHBondContact N-O 2.99Å; V511-V587 WeakPolarHBondContact CA-O 3.49Å; V511-V587 HydrophobicContact CG1-CB 4.36Å; V511-V587 HydrophobicContact CG1-CG1 4.22Å; V511-V587 HydrophobicContact CG2-CB 4.31Å; V511-V839 HydrophobicContact CG1-CG1 4.46Å; V511-V839 HydrophobicContact CG1-CG2 3.82Å; V511-V839 HydrophobicContact CG2-CG2 3.83Å
512	V	75.9	Confident	61.7	Low	7.5 Å²	7.5	43.8 Å²	43.8	5%	0.045	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	126	173	-177.8	0	0	0	0	111.1	V436 I451 F509 Q514 F585 V587 V588 T589	V436-V512 HydrophobicContact CB-CG2 4.42Å; V436-V512 CarbonylContact O-C 3.5Å; V436-V512 WeakPolarHBondContact O-CA 3.24Å; I451-V512 HydrophobicContact CD1-CG1 3.95Å; F509-V512 HydrophobicContact CB-CG2 3.62Å; F509-V512 HydrophobicContact CD1-CG2 3.95Å; F509-V512 HydrophobicContact CG-CG2 3.9Å; V512-Q514 HydrophobicContact CG1-CG 4.14Å; V512-F585 HydrophobicContact CB-CD1 4.35Å; V512-F585 HydrophobicContact CG2-CD1 3.74Å; V512-F585 HydrophobicContact CG2-CE1 4.05Å; V512-V587 PolarHBondContact N-O 3.11Å; V512-V588 HydrophobicContact CB-CG2 4.49Å; V512-V588 CarbonylContact O-C 3.52Å; V512-V588 WeakPolarHBondContact O-CA 3.4Å; V512-T589 PolarHBondContact O-N 3.2Å
513	T	72.9	Confident	62.5	Low	27.5 Å²	27.5	43 Å²	43	17%	0.169	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	126	174.4	-60.3	0	0	0	0	111	V436 T437 Q438 T589 T917	V436-T513 PolarHBondContact O-N 2.98Å; T437-T513 CarbonylContact C-O 3.55Å; T437-T513 WeakPolarHBondContact CA-O 3.17Å; Q438-T513 PolarHBondContact N-O 3.2Å; T513-T589 CarbonylContact C-O 3.6Å; T513-T589 WeakPolarHBondContact CA-O 3.22Å; T513-T589 WeakPolarHBondContact CG2-OG1 3.33Å; T513-T589 PolarHBondContact OG1-OG1 3.1Å; T513-T917 HydrophobicContact CG2-CG2 4.14Å
514	Q	71.4	Confident	63.2	Low	35.5 Å²	35.5	39 Å²	39	17%	0.166	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	128.1	175.6	-120	-172.1	24.1	0	0	111.4	Q438 V512 T589 Q590 S591	Q438-Q514 HydrophobicContact CB-CG 4.35Å; Q438-Q514 CarbonylContact O-C 3.54Å; Q438-Q514 WeakPolarHBondContact O-CA 3.35Å; V512-Q514 HydrophobicContact CG1-CG 4.14Å; Q514-T589 PolarHBondContact N-O 3.25Å; Q514-Q590 HydrophobicContact CB-CG 4.23Å; Q514-Q590 VanDerWaalsContact O-CA 3.31Å; Q514-Q590 WeakPolarHBondContact O-CA 3.45Å; Q514-S591 PolarHBondContact O-N 3.22Å
515	S	66.7	Low	63.4	Low	33 Å²	33	38.5 Å²	38.5	23%	0.231	22%	0.219	C	C	.	.			trans	-142.5	107.3	175.7	179.3	0	0	0	0	112.3	Q438 S439 G440 S591 S919	Q438-S515 PolarHBondContact O-N 3.07Å; S439-S515 CarbonylContact C-O 3.59Å; S439-S515 VanDerWaalsContact CA-O 3.24Å; S439-S515 WeakPolarHBondContact CA-O 3.43Å; S439-S515 PolarHBondContact OG-O 3.44Å; G440-S515 PolarHBondContact N-O 2.93Å; G440-S515 VanDerWaalsContact N-O 3.11Å; S515-S591 VanDerWaalsContact CA-O 3.23Å; S515-S591 WeakPolarHBondContact CA-O 3.42Å; S515-S591 WeakPolarHBondContact CB-O 3.49Å; S515-S591 PolarHBondContact OG-O 3.13Å; S515-S591 PolarHBondContact OG-OG 3.04Å; S515-S919 WeakPolarHBondContact OG-CB 3.44Å; S515-S919 PolarHBondContact OG-OG 3.42Å
516	G	68.8	Low	63.1	Low	17 Å²	17	39.5 Å²	39.5	18%	0.175	23%	0.225	C	C	.	.			trans	-120.8	151.3	-176.8	0	0	0	0	0	113.9	G440 S591 G592 T593	G440-G516 CarbonylContact O-C 3.6Å; G440-G516 VanDerWaalsContact O-CA 3.23Å; G440-G516 WeakPolarHBondContact O-CA 3.18Å; G516-S591 PolarHBondContact N-O 3.43Å; G516-G592 CarbonylContact O-C 3.53Å; G516-G592 WeakPolarHBondContact O-CA 3.42Å; G516-T593 PolarHBondContact O-N 3.13Å
517	T	70.6	Confident	62.8	Low	28 Å²	28	38.8 Å²	38.8	17%	0.172	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	125	164.5	-63.7	0	0	0	0	109.7	G440 T441 V442 T593 I1020	G440-T517 PolarHBondContact O-N 3.33Å; T441-T517 CarbonylContact C-O 3.52Å; T441-T517 VanDerWaalsContact CA-O 3.26Å; T441-T517 WeakPolarHBondContact CA-O 3.36Å; T441-T517 HydrophobicContact CG2-CG2 4.37Å; V442-T517 PolarHBondContact N-O 3.18Å; T517-T593 CarbonylContact C-O 3.54Å; T517-T593 WeakPolarHBondContact CA-O 3.24Å; T517-T593 HydrophobicContact CG2-CG2 4.22Å; T517-I1020 VanDerWaalsContact CB-CD1 3.47Å; T517-I1020 HydrophobicContact CG2-CD1 3.91Å; T517-I1020 WeakPolarHBondContact OG1-CD1 3.33Å
518	V	70.1	Confident	61.8	Low	30 Å²	30	39.6 Å²	39.6	18%	0.182	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	123.3	175.6	-179.2	0	0	0	0	108.6	V442 S447 T593 L594 S595	V442-V518 HydrophobicContact CB-CG2 4.39Å; V442-V518 CarbonylContact O-C 3.55Å; V442-V518 WeakPolarHBondContact O-CA 3.3Å; S447-V518 VanDerWaalsContact OG-CG1 3.28Å; S447-V518 WeakPolarHBondContact OG-CG1 3.22Å; V518-T593 PolarHBondContact N-O 2.86Å; V518-L594 HydrophobicContact CB-CD1 3.85Å; V518-L594 HydrophobicContact CG1-CD1 3.97Å; V518-L594 WeakPolarHBondContact O-CA 3.3Å; V518-S595 PolarHBondContact O-N 3.02Å
519	H	69.3	Low	60.5	Low	53.5 Å²	53.5	43.6 Å²	43.6	25%	0.248	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	106.5	-178.3	-172.6	-69.7	0	0	0	110.2	V442 H443 C444 S595	V442-H519 PolarHBondContact O-N 3.13Å; H443-H519 WeakPolarHBondContact CA-O 3.01Å; H443-H519 AromaticContact CD2-CG 3.73Å; H443-H519 AromaticContact CD2-ND1 3.28Å; H443-H519 PolarHBondContact CD2-ND1 3.4Å; H443-H519 VanDerWaalsContact CD2-ND1 3.28Å; H443-H519 AromaticContact ND1-CG 3.99Å; H443-H519 AromaticContact NE2-CE1 3.91Å; H443-H519 AromaticContact NE2-ND1 3.37Å; H443-H519 PolarHBondContact NE2-ND1 3.5Å; C444-H519 PolarHBondContact N-O 3.19Å; H519-S595 WeakPolarHBondContact CA-O 3.39Å; H519-S595 WeakPolarHBondContact CD2-CB 3.24Å; H519-S595 PolarHBondContact CD2-OG 3.05Å; H519-S595 VanDerWaalsContact CD2-OG 3.22Å; H519-S595 PolarHBondContact NE2-OG 2.99Å
520	C	64	Low	58.6	Low	20 Å²	20	47.4 Å²	47.4	14%	0.135	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	146.4	-176.1	-1.7	0	0	0	0	112.2	C444 Q522 S523 S595 L596 N597	C444-C520 WeakPolarHBondContact O-CA 3.4Å; C444-C520 WeakPolarHBondContact O-CB 3.3Å; C520-Q522 PolarHBondContact SG-O 3.1Å; C520-S523 WeakPolarHBondContact SG-CB 3.24Å; C520-S523 PolarHBondContact SG-OG 3.07Å; C520-S523 VanDerWaalsContact SG-OG 3.35Å; C520-S595 PolarHBondContact N-O 2.91Å; C520-S595 VanDerWaalsContact N-O 3.09Å; C520-L596 HydrophobicContact CB-CD1 3.71Å; C520-L596 WeakPolarHBondContact O-CA 3.33Å; C520-L596 VanDerWaalsContact SG-CD2 3.59Å; C520-N597 PolarHBondContact O-N 2.86Å
521	A	54.1	Low	57	Low	39 Å²	39	49.6 Å²	49.6	32%	0.322	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	41.1	170.4	0	0	0	0	0	110.3	C444 A445 Q446 V598	C444-A521 PolarHBondContact O-N 3.2Å; A445-A521 WeakPolarHBondContact O-CB 3.49Å; A445-A521 PolarHBondContact O-N 3.45Å; Q446-A521 PolarHBondContact N-O 2.86Å; A521-V598 PolarHBondContact O-N 2.98Å; A521-V598 VanDerWaalsContact O-N 3.1Å
522	Q	51.2	Low	55.4	Low	89 Å²	89	49.1 Å²	49.1	42%	0.416	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	128.4	178.5	-65	179.9	-43.1	0	0	110.4	A445 Q446 S447 C520 N597 V598 G599	A445-Q522 PolarHBondContact O-N 2.96Å; Q446-Q522 VanDerWaalsContact CA-O 3.29Å; Q446-Q522 WeakPolarHBondContact CA-O 3.47Å; Q446-Q522 HydrophobicContact CB-CG 4.37Å; Q446-Q522 HydrophobicContact CG-CB 4.48Å; S447-Q522 PolarHBondContact N-O 2.98Å; S447-Q522 VanDerWaalsContact N-O 3.15Å; C520-Q522 PolarHBondContact SG-O 3.1Å; Q522-N597 PolarHBondContact N-O 2.97Å; Q522-V598 WeakPolarHBondContact CA-O 3Å; Q522-V598 WeakPolarHBondContact O-CA 3Å; Q522-G599 PolarHBondContact O-N 2.8Å
523	S	47.6	Very low	53.8	Low	36.5 Å²	36.5	50.3 Å²	50.3	26%	0.255	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	141.1	171.2	58.1	0	0	0	0	111.4	Q446 S447 V448 C520 L594	Q446-S523 PolarHBondContact O-N 3.22Å; Q446-S523 VanDerWaalsContact O-N 3.11Å; S447-S523 WeakPolarHBondContact O-CA 3.04Å; S447-S523 WeakPolarHBondContact O-CB 3.23Å; S447-S523 WeakPolarHBondContact OG-CB 2.95Å; V448-S523 PolarHBondContact N-O 2.79Å; C520-S523 WeakPolarHBondContact SG-CB 3.24Å; C520-S523 PolarHBondContact SG-OG 3.07Å; C520-S523 VanDerWaalsContact SG-OG 3.35Å; S523-L594 WeakPolarHBondContact OG-CD1 3.22Å
524	V	51.1	Low	52.5	Low	55.5 Å²	55.5	50.5 Å²	50.5	34%	0.336	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	120.9	174	178.4	0	0	0	0	108.1	S447 Q449 T526 G599 Q601	S447-V524 PolarHBondContact O-N 2.9Å; Q449-V524 PolarHBondContact N-O 2.89Å; Q449-V524 VanDerWaalsContact N-O 3.16Å; V524-T526 WeakPolarHBondContact CG1-OG1 3.3Å; V524-G599 PolarHBondContact N-O 2.91Å; V524-Q601 PolarHBondContact O-N 2.93Å
525	Q	44.6	Very low	51.4	Low	43.5 Å²	43.5	51.8 Å²	51.8	20%	0.203	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	119	172	-171.3	179.1	23.4	0	0	107.9	V448 Q449 T450	V448-Q525 PolarHBondContact O-N 2.85Å; Q449-Q525 WeakPolarHBondContact O-CA 3.32Å; T450-Q525 PolarHBondContact N-O 3.24Å
526	T	40.1	Very low	50.7	Low	49 Å²	49	51.9 Å²	51.9	30%	0.301	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	125.9	-170.8	-55.2	0	0	0	0	110.5	Q449 V524 Q601	Q449-T526 PolarHBondContact O-N 3Å; V524-T526 WeakPolarHBondContact CG1-OG1 3.3Å; T526-Q601 PolarHBondContact N-O 2.87Å
527	I	44.4	Very low	49.9	Very low	74.5 Å²	74.5	54.3 Å²	54.3	38%	0.382	29%	0.287	S	S	.	.			trans	-90.6	124.5	161.6	-56	170	0	0	0	105.7	I451 P452 V588	I451-I527 HydrophobicContact CD1-CG1 4.47Å; P452-I527 HydrophobicContact CG-CB 4.19Å; P452-I527 HydrophobicContact CG-CG2 4.1Å; I527-V588 HydrophobicContact CD1-CG1 4.29Å
528	P	42.2	Very low	49	Very low	39.5 Å²	39.5	56.2 Å²	56.2	26%	0.256	30%	0.297	S	S	.	.			trans	-73	161.1	-174	8.8	-4.2	0	0	0	112.8	I451 P452 E453 E530 V603	I451-P528 WeakPolarHBondContact O-CD 3.37Å; I451-P528 WeakPolarHBondContact O-CG 3.21Å; P452-P528 WeakPolarHBondContact CG-O 3.32Å; P452-P528 WeakPolarHBondContact O-CG 3.38Å; E453-P528 HydrophobicContact CB-CB 4.31Å; E453-P528 HydrophobicContact CB-CG 4.02Å; E453-P528 HydrophobicContact CG-CB 4.4Å; P528-E530 PolarHBondContact O-N 2.84Å; P528-V603 WeakPolarHBondContact CG-O 2.96Å
529	E	38.7	Very low	48.1	Very low	104 Å²	104	56.3 Å²	56.3	49%	0.486	30%	0.297	S	S	.	.			trans	-94.6	144.5	172.4	-112.7	178.6	130.8	0	0	110.9	Q455 L604 I605	Q455-E529 PolarHBondContact NE2-OE1 2.8Å; E529-L604 VanDerWaalsContact OE2-O 3.06Å; E529-I605 WeakPolarHBondContact OE2-CA 2.9Å; E529-I605 VanDerWaalsContact OE2-CG1 3.26Å; E529-I605 WeakPolarHBondContact OE2-CG1 3.22Å
530	E	37.3	Very low	47.4	Very low	106 Å²	106	55.1 Å²	55.1	50%	0.495	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-54.9	138.1	169.5	-119.3	-168.5	157.2	0	0	111.7	P528	P528-E530 PolarHBondContact O-N 2.84Å
531	R	43.1	Very low	47.2	Very low	120.5 Å²	120.5	55.3 Å²	55.3	46%	0.455	30%	0.3	S	S	.	.			trans	-99.4	145.2	179.1	-74.8	-179.7	173	-170.6	-5.9	111.9	E453 D495 V533	E453-R531 WeakPolarHBondContact OE1-CD 3.42Å; E453-R531 IonicContact OE1-CZ 2.85Å; E453-R531 IonicContact OE1-NE 3.11Å; E453-R531 PolarHBondContact OE1-NE 3.07Å; E453-R531 IonicContact OE1-NH1 2.88Å; E453-R531 PolarHBondContact OE1-NH1 3.33Å; E453-R531 IonicContact OE2-CZ 3.38Å; E453-R531 IonicContact OE2-NE 2.67Å; E453-R531 IonicContact OE2-NH1 3.54Å; D495-R531 IonicContact OD1-CZ 3Å; D495-R531 IonicContact OD1-NH1 2.71Å; D495-R531 IonicContact OD1-NH2 3.08Å; D495-R531 PolarHBondContact OD1-NH2 3.03Å; R531-V533 WeakPolarHBondContact O-CG2 2.99Å; R531-V533 PolarHBondContact O-N 2.88Å; R531-V533 VanDerWaalsContact O-N 3.15Å
532	P	39.5	Very low	47.2	Very low	22.5 Å²	22.5	57.2 Å²	57.2	15%	0.146	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-67	128.4	-174.9	24.2	-32.7	0	0	0	112.5	Q455 P456 M497 A498 F534 D608	Q455-P532 HydrophobicContact CB-CB 3.72Å; Q455-P532 HydrophobicContact CB-CG 4.42Å; Q455-P532 VanDerWaalsContact OE1-CG 3.27Å; P456-P532 VanDerWaalsContact CB-O 3.26Å; P456-P532 WeakPolarHBondContact CB-O 3.45Å; M497-P532 HydrophobicContact CB-CG 3.73Å; M497-P532 HydrophobicContact CE-CB 4.25Å; M497-P532 HydrophobicContact CE-CG 3.65Å; M497-P532 HydrophobicContact CG-CG 3.62Å; M497-P532 HydrophobicContact SD-CG 4.47Å; A498-P532 PolarHBondContact N-O 3.08Å; P532-F534 HydrophobicContact CB-CD2 4.35Å; P532-F534 HydrophobicContact CB-CE2 3.53Å; P532-F534 HydrophobicContact CB-CZ 3.85Å; P532-F534 HydrophobicContact CG-CE2 3.72Å; P532-F534 HydrophobicContact CG-CZ 4.19Å; P532-F534 WeakPolarHBondContact O-CD2 3.23Å; P532-F534 WeakPolarHBondContact O-CE2 3.42Å; P532-D608 WeakPolarHBondContact CB-OD1 2.96Å
533	V	42.3	Very low	47.5	Very low	33 Å²	33	55 Å²	55	20%	0.2	30%	0.296	C	S	.	.			trans	-79	165.1	-171.7	-178.9	0	0	0	0	111.4	V457 A498 Q499 V500 R531	V457-V533 HydrophobicContact CB-CG1 3.76Å; V457-V533 HydrophobicContact CG2-CB 4.09Å; V457-V533 HydrophobicContact CG2-CG1 3.71Å; V457-V533 HydrophobicContact CG2-CG2 3.72Å; V457-V533 CarbonylContact O-C 2.91Å; V457-V533 WeakPolarHBondContact O-CG1 3.22Å; A498-V533 VanDerWaalsContact C-C 3.48Å; A498-V533 CarbonylContact C-O 3.52Å; A498-V533 WeakPolarHBondContact CA-O 3.41Å; A498-V533 PolarHBondContact N-O 2.82Å; Q499-V533 PolarHBondContact N-O 3.01Å; V500-V533 WeakPolarHBondContact O-CG1 3.25Å; R531-V533 WeakPolarHBondContact O-CG2 2.99Å; R531-V533 PolarHBondContact O-N 2.88Å; R531-V533 VanDerWaalsContact O-N 3.15Å
534	F	46.4	Very low	47.4	Very low	31.5 Å²	31.5	56.9 Å²	56.9	14%	0.138	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	105.3	177.9	-89.5	-79.6	0	0	0	114	P456 V457 F458 H459 Q485 M497 A498 V500 P532 T536 Q561 V563	P456-F534 HydrophobicContact CB-CD2 4.17Å; V457-F534 PolarHBondContact O-N 2.8Å; F458-F534 HydrophobicContact CB-CB 3.9Å; F458-F534 HydrophobicContact CB-CD1 4.06Å; F458-F534 HydrophobicContact CD1-CB 4.18Å; F458-F534 HydrophobicContact CD1-CD2 4.07Å; F458-F534 HydrophobicContact CD1-CG 4.05Å; F458-F534 HydrophobicContact CD2-CB 3.77Å; F458-F534 AromaticContact CD2-CD1 3.75Å; F458-F534 HydrophobicContact CD2-CD1 3.75Å; F458-F534 AromaticContact CD2-CD2 3.49Å; F458-F534 HydrophobicContact CD2-CD2 3.49Å; F458-F534 VanDerWaalsContact CD2-CD2 3.49Å; F458-F534 AromaticContact CD2-CE1 3.39Å; F458-F534 HydrophobicContact CD2-CE1 3.39Å; F458-F534 HydrophobicContact CD2-CE2 4.39Å; F458-F534 AromaticContact CD2-CG 3.92Å; F458-F534 HydrophobicContact CD2-CG 3.92Å; F458-F534 HydrophobicContact CD2-CZ 4.31Å; F458-F534 AromaticContact CE1-CD2 3.9Å; F458-F534 HydrophobicContact CE1-CD2 3.9Å; F458-F534 HydrophobicContact CE1-CE2 4.06Å; F458-F534 HydrophobicContact CE1-CG 4.26Å; F458-F534 AromaticContact CE2-CD2 3.35Å; F458-F534 HydrophobicContact CE2-CD2 3.35Å; F458-F534 AromaticContact CE2-CE1 3.88Å; F458-F534 HydrophobicContact CE2-CE1 3.88Å; F458-F534 AromaticContact CE2-CE2 3.83Å; F458-F534 HydrophobicContact CE2-CE2 3.83Å; F458-F534 HydrophobicContact CE2-CG 4.19Å; F458-F534 HydrophobicContact CG-CB 3.61Å; F458-F534 HydrophobicContact CG-CD1 4.26Å; F458-F534 AromaticContact CG-CD2 3.89Å; F458-F534 HydrophobicContact CG-CD2 3.89Å; F458-F534 HydrophobicContact CG-CE1 4.25Å; F458-F534 AromaticContact CG-CG 3.89Å; F458-F534 HydrophobicContact CG-CG 3.89Å; F458-F534 AromaticContact CZ-CD2 3.57Å; F458-F534 HydrophobicContact CZ-CD2 3.57Å; F458-F534 AromaticContact CZ-CE2 3.65Å; F458-F534 HydrophobicContact CZ-CE2 3.65Å; F458-F534 HydrophobicContact CZ-CG 4.36Å; F458-F534 HydrophobicContact CZ-CZ 4.49Å; H459-F534 PolarHBondContact N-O 3.19Å; Q485-F534 HydrophobicContact CB-CE1 4.35Å; M497-F534 WeakPolarHBondContact O-CE1 3.28Å; M497-F534 VanDerWaalsContact O-CZ 3.22Å; M497-F534 WeakPolarHBondContact O-CZ 3.14Å; A498-F534 CarbonylContact O-C 3.58Å; A498-F534 WeakPolarHBondContact O-CA 3.37Å; V500-F534 WeakPolarHBondContact CG2-O 2.78Å; V500-F534 PolarHBondContact N-O 2.83Å; P532-F534 HydrophobicContact CB-CD2 4.35Å; P532-F534 HydrophobicContact CB-CE2 3.53Å; P532-F534 HydrophobicContact CB-CZ 3.85Å; P532-F534 HydrophobicContact CG-CE2 3.72Å; P532-F534 HydrophobicContact CG-CZ 4.19Å; P532-F534 WeakPolarHBondContact O-CD2 3.23Å; P532-F534 WeakPolarHBondContact O-CE2 3.42Å; F534-T536 PolarHBondContact O-N 2.85Å; F534-Q561 HydrophobicContact CE2-CG 4.28Å; F534-Q561 HydrophobicContact CZ-CG 4.22Å; F534-V563 HydrophobicContact CE2-CG2 3.9Å; F534-V563 HydrophobicContact CZ-CG2 4.06Å
535	H	48.4	Very low	47.3	Very low	61.5 Å²	61.5	56.1 Å²	56.1	29%	0.285	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	98.3	-177.5	-94.7	116.4	0	0	0	113.4	F458 H459 T460 A498 Q499 V500 L610	F458-H535 PolarHBondContact O-N 2.84Å; F458-H535 VanDerWaalsContact O-N 3.15Å; H459-H535 VanDerWaalsContact CD2-CB 3.45Å; H459-H535 WeakPolarHBondContact CD2-CB 3.31Å; H459-H535 AromaticContact CD2-CG 3.9Å; H459-H535 AromaticContact CD2-ND1 3.74Å; H459-H535 AromaticContact CE1-ND1 3.96Å; H459-H535 AromaticContact NE2-CG 3.75Å; H459-H535 AromaticContact NE2-ND1 3.13Å; H459-H535 PolarHBondContact NE2-ND1 3.26Å; H459-H535 VanDerWaalsContact NE2-ND1 3.13Å; T460-H535 PolarHBondContact N-O 2.8Å; A498-H535 WeakPolarHBondContact O-CB 3.18Å; A498-H535 PolarHBondContact O-N 3Å; Q499-H535 VanDerWaalsContact C-CG 3.49Å; Q499-H535 WeakPolarHBondContact CA-ND1 3.35Å; Q499-H535 HydrophobicContact CB-CB 4.35Å; Q499-H535 WeakPolarHBondContact CB-ND1 3.13Å; Q499-H535 PolarHBondContact O-CE1 2.88Å; Q499-H535 VanDerWaalsContact O-CE1 3.28Å; Q499-H535 PolarHBondContact O-ND1 2.86Å; V500-H535 WeakPolarHBondContact CA-ND1 3.21Å; V500-H535 WeakPolarHBondContact CG1-CD2 2.93Å; V500-H535 WeakPolarHBondContact CG1-NE2 3.35Å; V500-H535 HydrophobicContact CG2-CB 4.1Å; V500-H535 VanDerWaalsContact N-CA 3.33Å; V500-H535 PolarHBondContact N-ND1 2.96Å; H535-L610 WeakPolarHBondContact CE1-CD1 3.39Å; H535-L610 WeakPolarHBondContact ND1-CG 3.2Å
536	T	51.3	Low	47.2	Very low	35 Å²	35	63.3 Å²	63.3	22%	0.215	34%	0.339	C	S	.	.			trans	-125.6	113.4	167	-61.3	0	0	0	0	111.7	T460 M483 F534 V539 M559	T460-T536 WeakPolarHBondContact CA-O 3.44Å; T460-T536 WeakPolarHBondContact O-CA 3.35Å; M483-T536 HydrophobicContact SD-CG2 4.15Å; F534-T536 PolarHBondContact O-N 2.85Å; T536-V539 HydrophobicContact CG2-CG2 3.82Å; T536-M559 HydrophobicContact CG2-SD 4.24Å
537	V	51	Low	47.2	Very low	67.5 Å²	67.5	64 Å²	64	41%	0.409	34%	0.341	S	S	.	.			trans	-87.5	-50.5	-174.7	-172.8	0	0	0	0	112.5	T460 V461 N462	T460-V537 PolarHBondContact O-N 2.81Å; V461-V537 VanDerWaalsContact CB-O 3.24Å; V461-V537 WeakPolarHBondContact CB-O 3.14Å; V461-V537 HydrophobicContact CG1-CB 4.32Å; V461-V537 HydrophobicContact CG1-CG2 4.49Å; V461-V537 HydrophobicContact CG2-CG1 4.29Å; V461-V537 PolarHBondContact N-O 3.28Å; V461-V537 WeakPolarHBondContact O-CB 2.94Å; N462-V537 PolarHBondContact N-O 3.06Å
538	N	51.7	Low	46.8	Very low	68.5 Å²	68.5	68.6 Å²	68.6	37%	0.366	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	139.5	178.6	-88.8	-62.3	0	0	0	113.2	V461 N462 V463	V461-N538 PolarHBondContact O-N 2.88Å; V461-N538 VanDerWaalsContact O-N 3.16Å; N462-N538 PolarHBondContact ND2-OD1 3Å; N462-N538 VanDerWaalsContact OD1-CB 3.28Å; N462-N538 WeakPolarHBondContact OD1-CB 3.16Å; V463-N538 PolarHBondContact N-O 3.39Å
539	V	51.3	Low	46.4	Very low	32 Å²	32	72.1 Å²	72.1	19%	0.194	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	88.3	169.8	-175.5	0	0	0	0	109	N462 V463 G464 T536 A557 M559	N462-V539 PolarHBondContact O-N 2.68Å; V463-V539 WeakPolarHBondContact CA-O 3.48Å; V463-V539 HydrophobicContact CB-CG1 4.39Å; V463-V539 WeakPolarHBondContact O-CA 3.02Å; G464-V539 PolarHBondContact N-O 2.96Å; G464-V539 VanDerWaalsContact N-O 3.11Å; T536-V539 HydrophobicContact CG2-CG2 3.82Å; V539-A557 HydrophobicContact CG1-CB 4.06Å; V539-M559 HydrophobicContact CB-SD 4.47Å; V539-M559 HydrophobicContact CG1-CB 4.47Å; V539-M559 HydrophobicContact CG2-CG 4.35Å; V539-M559 HydrophobicContact CG2-SD 3.84Å
540	G	55.5	Low	46.5	Very low	28 Å²	28	69.3 Å²	69.3	29%	0.289	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	158.3	-171.1	0	0	0	0	0	114.6	V463 L465	V463-G540 PolarHBondContact O-N 2.84Å; V463-G540 VanDerWaalsContact O-N 3.16Å; L465-G540 PolarHBondContact N-O 2.85Å
541	V	59.7	Low	46.6	Very low	25.5 Å²	25.5	70 Å²	70	16%	0.155	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	105.2	167.3	179.9	0	0	0	0	107.9	G464 L465 D466 L479 L543 V555 A557 A632	G464-V541 PolarHBondContact O-N 3.42Å; L465-V541 HydrophobicContact CB-CG2 4.47Å; D466-V541 PolarHBondContact N-O 3.38Å; L479-V541 HydrophobicContact CB-CG1 4.28Å; L479-V541 HydrophobicContact CD1-CG1 3.58Å; V541-L543 HydrophobicContact CG1-CG 4.24Å; V541-V555 HydrophobicContact CB-CG1 4.13Å; V541-V555 HydrophobicContact CG1-CG1 4.12Å; V541-V555 HydrophobicContact CG2-CG1 4.15Å; V541-A557 HydrophobicContact CB-CB 4.48Å; V541-A557 HydrophobicContact CG2-CB 3.88Å; V541-A632 HydrophobicContact CG2-CB 3.9Å
542	D	54.7	Low	46.7	Very low	78 Å²	78	66.4 Å²	66.4	42%	0.417	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	138.1	177.9	-163.7	-35	0	0	0	110.6	L465 H467 T544	L465-D542 PolarHBondContact O-N 2.87Å; H467-D542 PolarHBondContact N-O 3.16Å; D542-T544 WeakPolarHBondContact OD1-CB 3.46Å; D542-T544 WeakPolarHBondContact OD1-CG2 3.38Å; D542-T544 PolarHBondContact OD1-N 3.46Å; D542-T544 PolarHBondContact OD1-OG1 3.4Å
543	L	56.2	Low	47.1	Very low	43.5 Å²	43.5	71.8 Å²	71.8	23%	0.228	39%	0.393	C	S	.	.			trans	-130.5	60.5	-175.2	-76.4	173.2	0	0	0	112	D466 H467 L479 V541 G545 Y552 V555	D466-L543 PolarHBondContact O-N 2.85Å; H467-L543 HydrophobicContact CB-CD2 4.18Å; L479-L543 HydrophobicContact CD1-CD2 4.28Å; V541-L543 HydrophobicContact CG1-CG 4.24Å; L543-G545 VanDerWaalsContact C-N 3.28Å; L543-G545 PolarHBondContact O-N 3.12Å; L543-Y552 HydrophobicContact CD1-CE2 4.5Å; L543-V555 HydrophobicContact CD1-CG1 3.86Å; L543-V555 HydrophobicContact CD1-CG2 4.28Å
544	T	46.6	Very low	47.8	Very low	76 Å²	76	73.7 Å²	73.7	47%	0.466	40%	0.402	S	S	.	.			trans	-80	54.3	-177.8	-7.9	0	0	0	0	114.1	K470 D542	K470-T544 PolarHBondContact NZ-O 3.09Å; K470-T544 VanDerWaalsContact NZ-O 3.1Å; D542-T544 WeakPolarHBondContact OD1-CB 3.46Å; D542-T544 WeakPolarHBondContact OD1-CG2 3.38Å; D542-T544 PolarHBondContact OD1-N 3.46Å; D542-T544 PolarHBondContact OD1-OG1 3.4Å
545	G	48.1	Very low	48.2	Very low	38.5 Å²	38.5	74.4 Å²	74.4	40%	0.397	41%	0.408	S	S	.	.	S	Bend	trans	-124.1	152.9	-177.7	0	0	0	0	0	116.7	L543 L547	L543-G545 VanDerWaalsContact C-N 3.28Å; L543-G545 PolarHBondContact O-N 3.12Å; G545-L547 PolarHBondContact O-N 3.05Å; G545-L547 VanDerWaalsContact O-N 3.09Å
546	K	41.8	Very low	48.6	Very low	195 Å²	195	74.4 Å²	74.4	85%	0.848	41%	0.408	S	S	*	.			trans	-79.2	76.6	167.4	-79.1	-170.9	175.9	-177.5	0	110.6	Q548	K546-Q548 PolarHBondContact O-N 2.71Å
547	L	40.9	Very low	48.8	Very low	64 Å²	64	73.8 Å²	73.8	34%	0.335	41%	0.407	S	S	.	.			trans	-81.8	112.8	179.5	-63.7	178.7	0	0	0	111.5	S471 G545 S549 V550 Y552	S471-L547 WeakPolarHBondContact CB-O 3.48Å; S471-L547 PolarHBondContact OG-O 2.71Å; G545-L547 PolarHBondContact O-N 3.05Å; G545-L547 VanDerWaalsContact O-N 3.09Å; L547-S549 PolarHBondContact O-N 3.33Å; L547-V550 HydrophobicContact CB-CG2 4.41Å; L547-V550 HydrophobicContact CD1-CB 4.32Å; L547-V550 HydrophobicContact CD1-CG1 4.38Å; L547-V550 HydrophobicContact CD1-CG2 4.41Å; L547-V550 HydrophobicContact CD2-CG2 4.17Å; L547-Y552 HydrophobicContact CD1-CE2 4.36Å
548	Q	35.3	Very low	49.3	Very low	170 Å²	170	71.6 Å²	71.6	79%	0.794	39%	0.394	S	S	*	.			trans	-83.7	111.9	162.3	-74.6	-175.1	-64.1	0	0	109	K546 V550	K546-Q548 PolarHBondContact O-N 2.71Å; Q548-V550 WeakPolarHBondContact O-CG2 3.45Å; Q548-V550 PolarHBondContact O-N 3.43Å
549	S	35.7	Very low	49.8	Very low	114 Å²	114	69.9 Å²	69.9	80%	0.797	38%	0.384	S	S	*	.	S	Bend	trans	47.8	56.3	168.6	58.2	0	0	0	0	116.2	L547 L551	L547-S549 PolarHBondContact O-N 3.33Å; S549-L551 PolarHBondContact O-N 3.17Å
550	V	40.8	Very low	49.9	Very low	45 Å²	45	74.6 Å²	74.6	27%	0.273	40%	0.399	S	S	.	.			trans	-100.6	136.3	179.4	179	0	0	0	0	110.4	L474 K477 L547 Q548 Y552	L474-V550 HydrophobicContact CB-CG1 3.72Å; L474-V550 HydrophobicContact CB-CG2 4.38Å; L474-V550 HydrophobicContact CD1-CG1 4.44Å; K477-V550 PolarHBondContact NZ-O 2.87Å; L547-V550 HydrophobicContact CB-CG2 4.41Å; L547-V550 HydrophobicContact CD1-CB 4.32Å; L547-V550 HydrophobicContact CD1-CG1 4.38Å; L547-V550 HydrophobicContact CD1-CG2 4.41Å; L547-V550 HydrophobicContact CD2-CG2 4.17Å; Q548-V550 WeakPolarHBondContact O-CG2 3.45Å; Q548-V550 PolarHBondContact O-N 3.43Å; V550-Y552 VanDerWaalsContact C-N 3.26Å; V550-Y552 HydrophobicContact CB-CD2 4.16Å; V550-Y552 HydrophobicContact CB-CE2 3.88Å; V550-Y552 HydrophobicContact CG1-CD1 4.43Å; V550-Y552 HydrophobicContact CG1-CD2 3.91Å; V550-Y552 HydrophobicContact CG1-CE1 4.01Å; V550-Y552 HydrophobicContact CG1-CE2 3.45Å; V550-Y552 HydrophobicContact CG1-CG 4.37Å; V550-Y552 VanDerWaalsContact CG1-CZ 3.45Å; V550-Y552 PolarHBondContact O-N 2.82Å
551	L	38.7	Very low	49.8	Very low	120 Å²	120	75.7 Å²	75.7	63%	0.628	40%	0.396	S	S	*	.			trans	-105.3	70.6	-167.1	-150.7	160.5	0	0	0	112.1	L474 S549 E553	L474-L551 PolarHBondContact O-N 3.45Å; S549-L551 PolarHBondContact O-N 3.17Å; L551-E553 HydrophobicContact CD2-CG 4.34Å; L551-E553 PolarHBondContact O-N 2.87Å
552	Y	45.4	Very low	49.1	Very low	45.5 Å²	45.5	77.4 Å²	77.4	18%	0.178	41%	0.409	C	S	.	.			trans	-78.8	120.3	169.8	-60.6	-67.5	0	0	0	109.9	L474 K477 L543 L547 V550 Q628 V630	L474-Y552 HydrophobicContact CD1-CE1 4.4Å; K477-Y552 HydrophobicContact CB-CD1 4.29Å; K477-Y552 HydrophobicContact CB-CE1 4.18Å; K477-Y552 WeakPolarHBondContact CD-O 3.1Å; K477-Y552 WeakPolarHBondContact CE-O 3.19Å; K477-Y552 PolarHBondContact NZ-O 3.07Å; L543-Y552 HydrophobicContact CD1-CE2 4.5Å; L547-Y552 HydrophobicContact CD1-CE2 4.36Å; V550-Y552 VanDerWaalsContact C-N 3.26Å; V550-Y552 HydrophobicContact CB-CD2 4.16Å; V550-Y552 HydrophobicContact CB-CE2 3.88Å; V550-Y552 HydrophobicContact CG1-CD1 4.43Å; V550-Y552 HydrophobicContact CG1-CD2 3.91Å; V550-Y552 HydrophobicContact CG1-CE1 4.01Å; V550-Y552 HydrophobicContact CG1-CE2 3.45Å; V550-Y552 HydrophobicContact CG1-CG 4.37Å; V550-Y552 VanDerWaalsContact CG1-CZ 3.45Å; V550-Y552 PolarHBondContact O-N 2.82Å; Y552-Q628 VanDerWaalsContact CD1-O 3.3Å; Y552-Q628 WeakPolarHBondContact CD1-O 3.4Å; Y552-Q628 WeakPolarHBondContact CE1-O 3.34Å; Y552-Q628 PolarHBondContact O-NE2 2.94Å; Y552-V630 HydrophobicContact CD1-CG2 4.03Å; Y552-V630 HydrophobicContact CE1-CG2 3.66Å; Y552-V630 HydrophobicContact CE2-CG2 4.18Å; Y552-V630 HydrophobicContact CG-CG2 4.44Å
553	E	47	Very low	48.7	Very low	136 Å²	136	75.6 Å²	75.6	64%	0.636	40%	0.401	S	S	*	.	S	Bend	trans	-77.3	-33.7	179.6	-67.2	-171.4	135.3	0	0	112.8	K478 L551	K478-E553 PolarHBondContact N-O 2.88Å; L551-E553 HydrophobicContact CD2-CG 4.34Å; L551-E553 PolarHBondContact O-N 2.87Å
554	N	57.3	Low	47.7	Very low	72 Å²	72	79 Å²	79	39%	0.385	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	128.9	-177.1	-73	-106.5	0	0	0	109.8	K478 L479	K478-N554 HydrophobicContact CB-CB 4.48Å; K478-N554 HydrophobicContact CD-CB 3.63Å; K478-N554 HydrophobicContact CG-CB 3.79Å; K478-N554 PolarHBondContact NZ-OD1 2.92Å; K478-N554 WeakPolarHBondContact O-CA 3.48Å; L479-N554 PolarHBondContact N-O 3.12Å
555	V	55	Low	47.3	Very low	46.5 Å²	46.5	77.5 Å²	77.5	28%	0.282	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	130.2	160.7	-178.3	0	0	0	0	107	L465 K478 L479 Q480 V541 L543	L465-V555 HydrophobicContact CD1-CG1 4.12Å; K478-V555 PolarHBondContact O-N 3.48Å; L479-V555 WeakPolarHBondContact CA-O 3Å; L479-V555 HydrophobicContact CB-CG1 4.46Å; L479-V555 HydrophobicContact CD1-CG2 4.42Å; L479-V555 HydrophobicContact CD2-CB 3.66Å; L479-V555 HydrophobicContact CD2-CG2 3.87Å; Q480-V555 PolarHBondContact N-O 2.92Å; V541-V555 HydrophobicContact CB-CG1 4.13Å; V541-V555 HydrophobicContact CG1-CG1 4.12Å; V541-V555 HydrophobicContact CG2-CG1 4.15Å; L543-V555 HydrophobicContact CD1-CG1 3.86Å; L543-V555 HydrophobicContact CD1-CG2 4.28Å
556	Q	56	Low	46.4	Very low	61 Å²	61	78.7 Å²	78.7	29%	0.285	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	113.4	-176.2	-176.7	173	4.8	0	0	111.2	L479 Q480 A481 T558	L479-Q556 PolarHBondContact O-N 2.87Å; Q480-Q556 WeakPolarHBondContact CA-O 3.24Å; Q480-Q556 HydrophobicContact CB-CG 4.23Å; Q480-Q556 HydrophobicContact CG-CG 4.38Å; Q480-Q556 VanDerWaalsContact O-CA 3.32Å; Q480-Q556 WeakPolarHBondContact O-CA 3.11Å; A481-Q556 PolarHBondContact N-O 3.24Å; Q556-T558 VanDerWaalsContact CG-OG1 3.28Å; Q556-T558 WeakPolarHBondContact CG-OG1 3.13Å; Q556-T558 PolarHBondContact NE2-OG1 3.28Å
557	A	56.6	Low	45.9	Very low	22.5 Å²	22.5	72.6 Å²	72.6	19%	0.186	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	136.6	160.3	0	0	0	0	0	108.3	L465 Q480 T482 V539 V541	L465-A557 HydrophobicContact CB-CB 4.46Å; L465-A557 HydrophobicContact CD1-CB 4.15Å; Q480-A557 PolarHBondContact O-N 3.25Å; T482-A557 PolarHBondContact N-O 2.78Å; V539-A557 HydrophobicContact CG1-CB 4.06Å; V541-A557 HydrophobicContact CB-CB 4.48Å; V541-A557 HydrophobicContact CG2-CB 3.88Å
558	T	60.2	Low	45.3	Very low	22.5 Å²	22.5	73.9 Å²	73.9	14%	0.138	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	118.7	176.6	-63	0	0	0	0	112	A481 T482 M483 Q556 R560 A632 G633	A481-T558 PolarHBondContact O-N 3.47Å; A481-T558 VanDerWaalsContact O-N 3.17Å; T482-T558 WeakPolarHBondContact CA-O 3.31Å; T482-T558 VanDerWaalsContact O-CA 3.27Å; T482-T558 WeakPolarHBondContact O-CA 3.37Å; M483-T558 PolarHBondContact N-O 2.82Å; Q556-T558 VanDerWaalsContact CG-OG1 3.28Å; Q556-T558 WeakPolarHBondContact CG-OG1 3.13Å; Q556-T558 PolarHBondContact NE2-OG1 3.28Å; T558-R560 HydrophobicContact CG2-CG 4.16Å; T558-A632 PolarHBondContact N-O 3Å; T558-G633 WeakPolarHBondContact O-CA 3.39Å
559	M	62.7	Low	44.9	Very low	32 Å²	32	71.1 Å²	71.1	16%	0.158	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	135.6	165.5	-166.4	176.2	142.4	0	0	108.8	T460 V463 T482 M483 R484 T536 V539	T460-M559 HydrophobicContact CG2-CE 3.95Å; T460-M559 HydrophobicContact CG2-SD 4.24Å; V463-M559 HydrophobicContact CG1-CB 4.5Å; V463-M559 HydrophobicContact CG2-CB 4.37Å; V463-M559 HydrophobicContact CG2-CE 4.49Å; V463-M559 HydrophobicContact CG2-SD 3.91Å; T482-M559 PolarHBondContact O-N 3.12Å; T482-M559 VanDerWaalsContact O-N 3.11Å; M483-M559 HydrophobicContact CB-CG 4.48Å; M483-M559 HydrophobicContact CE-CE 4.14Å; M483-M559 HydrophobicContact CG-CE 4.24Å; M483-M559 HydrophobicContact SD-CE 4.33Å; R484-M559 PolarHBondContact N-O 2.95Å; T536-M559 HydrophobicContact CG2-SD 4.24Å; V539-M559 HydrophobicContact CB-SD 4.47Å; V539-M559 HydrophobicContact CG1-CB 4.47Å; V539-M559 HydrophobicContact CG2-CG 4.35Å; V539-M559 HydrophobicContact CG2-SD 3.84Å
560	R	54	Low	44.6	Very low	131.5 Å²	131.5	69.9 Å²	69.9	50%	0.496	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	133.3	168	-74.6	-169.5	178	-160.2	-0.2	109.4	M483 R484 Q485 T558	M483-R560 PolarHBondContact O-N 2.89Å; R484-R560 WeakPolarHBondContact CA-O 3.26Å; R484-R560 HydrophobicContact CG-CB 4.27Å; R484-R560 WeakPolarHBondContact O-CA 3.39Å; Q485-R560 PolarHBondContact N-O 2.86Å; Q485-R560 VanDerWaalsContact N-O 3.09Å; T558-R560 HydrophobicContact CG2-CG 4.16Å
561	Q	53.1	Low	44.1	Very low	51 Å²	51	74.5 Å²	74.5	24%	0.238	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	127.7	-179.9	-170	172.7	50.6	0	0	107.1	F458 R484 Q485 S486 F534	F458-Q561 VanDerWaalsContact CD1-CD 3.41Å; F458-Q561 HydrophobicContact CD1-CG 4.18Å; F458-Q561 HydrophobicContact CE1-CG 3.89Å; R484-Q561 PolarHBondContact O-N 2.92Å; Q485-Q561 WeakPolarHBondContact CA-O 3.18Å; Q485-Q561 HydrophobicContact CG-CB 4.04Å; Q485-Q561 WeakPolarHBondContact O-CA 3.02Å; S486-Q561 PolarHBondContact N-O 2.8Å; F534-Q561 HydrophobicContact CE2-CG 4.28Å; F534-Q561 HydrophobicContact CZ-CG 4.22Å
562	S	44.9	Very low	43.7	Very low	60.5 Å²	60.5	73.5 Å²	73.5	42%	0.423	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	130.6	179.7	48.9	0	0	0	0	108.9	Q485 S486 V487	Q485-S562 PolarHBondContact O-N 2.89Å; S486-S562 WeakPolarHBondContact CA-O 3.07Å; S486-S562 VanDerWaalsContact O-CA 3.31Å; S486-S562 WeakPolarHBondContact O-CA 3.23Å; V487-S562 PolarHBondContact N-O 2.81Å; V487-S562 VanDerWaalsContact N-O 3.08Å
563	V	45.9	Very low	43	Very low	40.5 Å²	40.5	79.6 Å²	79.6	25%	0.245	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	122.4	171.9	175.9	0	0	0	0	106.8	F458 S486 V487 E488 P496 F534 N565	F458-V563 HydrophobicContact CE1-CG2 4.16Å; F458-V563 HydrophobicContact CZ-CB 4.22Å; F458-V563 HydrophobicContact CZ-CG2 3.62Å; S486-V563 PolarHBondContact O-N 2.85Å; V487-V563 HydrophobicContact CG1-CB 4.43Å; V487-V563 WeakPolarHBondContact O-CA 3.33Å; E488-V563 PolarHBondContact N-O 3.07Å; P496-V563 HydrophobicContact CB-CG1 4.03Å; F534-V563 HydrophobicContact CE2-CG2 3.9Å; F534-V563 HydrophobicContact CZ-CG2 4.06Å; V563-N565 WeakPolarHBondContact CG1-OD1 3.47Å
564	E	36.1	Very low	42.2	Very low	115 Å²	115	77.4 Å²	77.4	54%	0.537	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	94.7	-179.8	-132.1	-179.9	143.6	0	0	106.7	V487 N489 T566	V487-E564 PolarHBondContact O-N 3.29Å; V487-E564 VanDerWaalsContact O-N 3.09Å; N489-E564 PolarHBondContact N-O 2.89Å; N489-E564 VanDerWaalsContact N-O 3.13Å; E564-T566 PolarHBondContact O-N 2.85Å
565	N	38.1	Very low	40.7	Very low	44 Å²	44	82.5 Å²	82.5	24%	0.235	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	109.5	178.2	-83	-2.6	0	0	0	109.2	D419 E488 N489 V563	D419-N565 HydrophobicContact CB-CB 4.49Å; D419-N565 VanDerWaalsContact CG-ND2 3.27Å; D419-N565 WeakPolarHBondContact OD2-CB 3.42Å; D419-N565 PolarHBondContact OD2-ND2 3.42Å; E488-N565 PolarHBondContact O-N 3.32Å; N489-N565 WeakPolarHBondContact CB-OD1 3.39Å; N489-N565 PolarHBondContact ND2-OD1 2.87Å; V563-N565 WeakPolarHBondContact CG1-OD1 3.47Å
566	T	28.8	Very low	39.4	Very low	64 Å²	64	85.7 Å²	85.7	39%	0.393	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	122.9	176.2	-56.4	0	0	0	0	110.7	E564	E564-T566 PolarHBondContact O-N 2.85Å
567	S	32.1	Very low	38.1	Very low	68 Å²	68	88 Å²	88	48%	0.476	50%	0.495	S	S	.	.			trans	-113.2	136.9	175.8	-165.9	0	0	0	0	109.8	Q493 T494	Q493-S567 WeakPolarHBondContact O-CA 3.38Å; Q493-S567 WeakPolarHBondContact O-CB 3.2Å; Q493-S567 PolarHBondContact O-N 3.08Å; T494-S567 WeakPolarHBondContact O-CA 3.1Å; T494-S567 WeakPolarHBondContact O-CB 3.31Å; T494-S567 PolarHBondContact O-N 3.4Å; T494-S567 PolarHBondContact O-OG 3.16Å
568	T	28	Very low	36.8	Very low	90.5 Å²	90.5	91.5 Å²	91.5	56%	0.555	51%	0.513	S	S	*	.			trans	-125.7	140.1	152.5	27	0	0	0	0	109.7
569	Q	26.9	Very low	35.3	Very low	112 Å²	112	97.2 Å²	97.2	52%	0.523	55%	0.548	S	S	.	.			trans	-78	141.7	-164.5	-174.2	-166.3	-53.7	0	0	114.1	L604	Q569-L604 HydrophobicContact CG-CD1 3.84Å
570	T	30	Very low	33.9	Very low	88 Å²	88	99.9 Å²	99.9	54%	0.54	56%	0.563	S	S	.	*			trans	-2.1	141.6	170.6	-6.6	0	0	0	0	114.3	L604 I643	T570-L604 HydrophobicContact CG2-CD1 3.96Å; T570-L604 HydrophobicContact CG2-CD2 3.82Å; T570-I643 VanDerWaalsContact C-CD1 3.45Å; T570-I643 WeakPolarHBondContact O-CD1 3.04Å
571	D	29.5	Very low	33.2	Very low	141.5 Å²	141.5	96.6 Å²	96.6	76%	0.757	56%	0.558	S	S	*	*				-121.1	137.6	100.4	-162.2	28.5	0	0	0	110.6	I643	D571-I643 HydrophobicContact CB-CD1 3.79Å
572	P	30.1	Very low	32.7	Very low	98.5 Å²	98.5	101.6 Å²	101.6	64%	0.64	58%	0.579	S	S	*	*			trans	-87.1	154.8	-171.1	32.9	-34.8	0	0	0	115.2	A574	P572-A574 PolarHBondContact O-N 2.9Å
573	M	31.2	Very low	33.2	Very low	173.5 Å²	173.5	101.1 Å²	101.1	86%	0.855	57%	0.574	S	S	*	*			trans	-90.8	109.5	-174.4	-70.1	-173.1	1.7	0	0	115.6	Q575	M573-Q575 PolarHBondContact O-N 3.11Å
574	A	28.9	Very low	33.8	Very low	91 Å²	91	101.7 Å²	101.7	75%	0.752	58%	0.578	S	S	*	*			trans	-2.4	109.2	151.2	0	0	0	0	0	117.1	P572 V576	P572-A574 PolarHBondContact O-N 2.9Å; A574-V576 PolarHBondContact O-N 2.95Å
575	Q	26.7	Very low	35.1	Very low	177.5 Å²	177.5	100.5 Å²	100.5	83%	0.829	57%	0.571	S	S	*	*			trans	7.3	119.6	159.4	-62.2	179.3	13.5	0	0	117.2	M573	M573-Q575 PolarHBondContact O-N 3.11Å
576	V	27.8	Very low	36.6	Very low	114 Å²	114	104.3 Å²	104.3	69%	0.691	59%	0.591	S	S	*	*			trans	-144.4	127.7	140.6	172.3	0	0	0	0	109.5	A574 T578	A574-V576 PolarHBondContact O-N 2.95Å; V576-T578 PolarHBondContact O-N 2.89Å
577	P	28.3	Very low	38.4	Very low	110.5 Å²	110.5	103.2 Å²	103.2	72%	0.718	58%	0.584	S	S	*	*			trans	-76.9	129.9	-168.8	5.6	-2.2	0	0	0	115
578	T	29.1	Very low	40	Very low	95 Å²	95	101.9 Å²	101.9	58%	0.583	57%	0.573	S	S	*	*			trans	-108.2	142.1	168.8	-62.9	0	0	0	0	109.8	V576 L580	V576-T578 PolarHBondContact O-N 2.89Å; T578-L580 HydrophobicContact CG2-CD1 4.23Å; T578-L580 PolarHBondContact O-N 2.99Å
579	V	29	Very low	41.5	Very low	142.5 Å²	142.5	99.4 Å²	99.4	86%	0.864	56%	0.558	S	S	*	*			trans	-93.4	100.9	-174.1	-176	0	0	0	0	111.1
580	L	32.7	Very low	43.1	Very low	88.5 Å²	88.5	96.5 Å²	96.5	46%	0.463	54%	0.544	S	S	.	.			trans	-94.7	149.9	175.3	-78.5	132.1	0	0	0	112.3	L504 T578 K582	L504-L580 HydrophobicContact CD1-CD2 3.68Å; T578-L580 HydrophobicContact CG2-CD1 4.23Å; T578-L580 PolarHBondContact O-N 2.99Å; L580-K582 PolarHBondContact O-N 3.09Å; L580-K582 VanDerWaalsContact O-N 3.09Å
581	P	40.6	Very low	44.1	Very low	62.5 Å²	62.5	93.9 Å²	93.9	41%	0.406	53%	0.53	S	S	.	.			trans	-77.7	114.2	177.5	33.1	-34.4	0	0	0	111.9	L504 T583	L504-P581 HydrophobicContact CB-CG 4.35Å; L504-P581 WeakPolarHBondContact O-CG 3.38Å; P581-T583 PolarHBondContact O-N 3.13Å
582	K	41.1	Very low	45.3	Very low	155.5 Å²	155.5	87.7 Å²	87.7	68%	0.676	50%	0.5	S	S	*	.			trans	-47.2	114.9	179.3	-73	-172.2	169.4	-119.6	0	114.3	K506 L580	K506-K582 WeakPolarHBondContact CE-O 3.28Å; K506-K582 WeakPolarHBondContact CG-O 3.28Å; L580-K582 PolarHBondContact O-N 3.09Å; L580-K582 VanDerWaalsContact O-N 3.09Å
583	T	56.9	Low	46.7	Very low	51 Å²	51	84.8 Å²	84.8	31%	0.313	48%	0.48	S	S	.	.			trans	-57.4	147.8	151.7	-58	0	0	0	0	109.5	F509 P581 F585	F509-T583 HydrophobicContact CD2-CG2 4.06Å; F509-T583 HydrophobicContact CE2-CG2 4.03Å; P581-T583 PolarHBondContact O-N 3.13Å; T583-F585 HydrophobicContact CG2-CD2 4.34Å; T583-F585 HydrophobicContact CG2-CE1 3.97Å; T583-F585 HydrophobicContact CG2-CE2 3.78Å; T583-F585 HydrophobicContact CG2-CZ 3.76Å; T583-F585 VanDerWaalsContact CG2-CZ 3.46Å
584	T	58	Low	47.8	Very low	53.5 Å²	53.5	78.5 Å²	78.5	33%	0.328	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	137.1	173.4	53.6	0	0	0	0	110.4	K506 F509	K506-T584 WeakPolarHBondContact CE-OG1 3.36Å; K506-T584 VanDerWaalsContact NZ-CG2 3.25Å; K506-T584 PolarHBondContact NZ-OG1 3.13Å; F509-T584 PolarHBondContact N-O 3.19Å
585	F	64.3	Low	49	Very low	88.5 Å²	88.5	75.7 Å²	75.7	39%	0.388	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	135.1	172.2	-51.4	-90.2	0	0	0	107.5	F509 V512 T583 V588	F509-F585 HydrophobicContact CB-CD1 3.74Å; F509-F585 HydrophobicContact CB-CE1 4.2Å; F509-F585 AromaticContact CD2-CD1 3.73Å; F509-F585 HydrophobicContact CD2-CD1 3.73Å; F509-F585 AromaticContact CD2-CE1 3.34Å; F509-F585 HydrophobicContact CD2-CE1 3.34Å; F509-F585 VanDerWaalsContact CD2-CE1 3.4Å; F509-F585 AromaticContact CD2-CZ 3.95Å; F509-F585 HydrophobicContact CD2-CZ 4.1Å; F509-F585 AromaticContact CE2-CE1 3.83Å; F509-F585 HydrophobicContact CE2-CE1 3.83Å; F509-F585 HydrophobicContact CE2-CZ 4.29Å; F509-F585 AromaticContact CG-CD1 3.88Å; F509-F585 HydrophobicContact CG-CD1 3.98Å; F509-F585 AromaticContact CG-CE1 3.77Å; F509-F585 HydrophobicContact CG-CE1 3.89Å; F509-F585 VanDerWaalsContact O-CA 3.28Å; F509-F585 WeakPolarHBondContact O-CA 3.34Å; V512-F585 HydrophobicContact CB-CD1 4.35Å; V512-F585 HydrophobicContact CG2-CD1 3.74Å; V512-F585 HydrophobicContact CG2-CE1 4.05Å; T583-F585 HydrophobicContact CG2-CD2 4.34Å; T583-F585 HydrophobicContact CG2-CE1 3.97Å; T583-F585 HydrophobicContact CG2-CE2 3.78Å; T583-F585 HydrophobicContact CG2-CZ 3.76Å; T583-F585 VanDerWaalsContact CG2-CZ 3.46Å; F585-V588 HydrophobicContact CB-CG2 3.47Å; F585-V588 VanDerWaalsContact CB-CG2 3.44Å; F585-V588 HydrophobicContact CD1-CG2 3.93Å; F585-V588 HydrophobicContact CD2-CG2 4.16Å; F585-V588 HydrophobicContact CG-CG2 3.68Å
586	D	69.5	Low	49.9	Very low	124 Å²	124	68.9 Å²	68.9	66%	0.663	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.2	-33	173.3	-82.4	23.8	0	0	0	111.2	F509 D510	F509-D586 PolarHBondContact O-N 3.11Å; F509-D586 VanDerWaalsContact O-N 3.1Å; D510-D586 CarbonylContact O-C 3.56Å; D510-D586 WeakPolarHBondContact O-CA 3.4Å; D510-D586 WeakPolarHBondContact O-CB 3.38Å; D510-D586 PolarHBondContact O-N 3.35Å; D510-D586 VanDerWaalsContact O-N 3.08Å
587	V	65.5	Low	50.7	Low	41.5 Å²	41.5	67.1 Å²	67.1	25%	0.252	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	131.6	170.6	177.9	0	0	0	0	111.2	D510 V511 V512 T589 V764 V839	D510-V587 PolarHBondContact O-N 3.14Å; V511-V587 WeakPolarHBondContact CA-O 3.49Å; V511-V587 HydrophobicContact CG1-CB 4.36Å; V511-V587 HydrophobicContact CG1-CG1 4.22Å; V511-V587 HydrophobicContact CG2-CB 4.31Å; V512-V587 PolarHBondContact N-O 3.11Å; V587-T589 HydrophobicContact CG1-CG2 4.2Å; V587-V764 HydrophobicContact CB-CG2 4.19Å; V587-V764 HydrophobicContact CG1-CG2 3.52Å; V587-V764 HydrophobicContact CG2-CG2 3.61Å; V587-V839 HydrophobicContact CG1-CB 4.49Å; V587-V839 HydrophobicContact CG1-CG2 4.09Å; V587-V839 HydrophobicContact CG2-CG2 4.34Å
588	V	65	Low	51.1	Low	39.5 Å²	39.5	65.5 Å²	65.5	24%	0.239	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	136.4	168.9	-173.9	0	0	0	0	110	V512 I527 F585	V512-V588 HydrophobicContact CB-CG2 4.49Å; V512-V588 CarbonylContact O-C 3.52Å; V512-V588 WeakPolarHBondContact O-CA 3.4Å; I527-V588 HydrophobicContact CD1-CG1 4.29Å; F585-V588 HydrophobicContact CB-CG2 3.47Å; F585-V588 VanDerWaalsContact CB-CG2 3.44Å; F585-V588 HydrophobicContact CD1-CG2 3.93Å; F585-V588 HydrophobicContact CD2-CG2 4.16Å; F585-V588 HydrophobicContact CG-CG2 3.68Å
589	T	61.3	Low	51.2	Low	38.5 Å²	38.5	62.6 Å²	62.6	24%	0.236	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	129.2	172.7	-2.4	0	0	0	0	110.7	V512 T513 Q514 V587 V764	V512-T589 PolarHBondContact O-N 3.2Å; T513-T589 CarbonylContact C-O 3.6Å; T513-T589 WeakPolarHBondContact CA-O 3.22Å; T513-T589 WeakPolarHBondContact CG2-OG1 3.33Å; T513-T589 PolarHBondContact OG1-OG1 3.1Å; Q514-T589 PolarHBondContact N-O 3.25Å; V587-T589 HydrophobicContact CG1-CG2 4.2Å; T589-V764 HydrophobicContact CG2-CG1 3.78Å
590	Q	59.6	Low	51.3	Low	51.5 Å²	51.5	60.3 Å²	60.3	24%	0.241	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	133.9	-179.1	-170.2	175.3	53.9	0	0	111	Q514 A660 F662	Q514-Q590 HydrophobicContact CB-CG 4.23Å; Q514-Q590 VanDerWaalsContact O-CA 3.31Å; Q514-Q590 WeakPolarHBondContact O-CA 3.45Å; Q590-A660 PolarHBondContact N-O 3.2Å; Q590-F662 PolarHBondContact O-N 2.83Å
591	S	51.8	Low	51	Low	33 Å²	33	61.9 Å²	61.9	23%	0.231	35%	0.352	C	S	.	.			trans	-148.4	95.7	-178.5	113.8	0	0	0	0	112.3	Q514 S515 G516 S843	Q514-S591 PolarHBondContact O-N 3.22Å; S515-S591 VanDerWaalsContact CA-O 3.23Å; S515-S591 WeakPolarHBondContact CA-O 3.42Å; S515-S591 WeakPolarHBondContact CB-O 3.49Å; S515-S591 PolarHBondContact OG-O 3.13Å; S515-S591 PolarHBondContact OG-OG 3.04Å; G516-S591 PolarHBondContact N-O 3.43Å; S591-S843 WeakPolarHBondContact OG-CB 3.18Å; S591-S843 PolarHBondContact OG-OG 2.74Å
592	G	54	Low	50.4	Low	12 Å²	12	62.2 Å²	62.2	12%	0.124	36%	0.36	C	S	.	.			trans	-96	154.5	-180	0	0	0	0	0	114.8	G516 D663 V664	G516-G592 CarbonylContact O-C 3.53Å; G516-G592 WeakPolarHBondContact O-CA 3.42Å; G592-D663 WeakPolarHBondContact CA-OD1 3.45Å; G592-D663 PolarHBondContact N-OD1 2.81Å; G592-V664 PolarHBondContact O-N 2.92Å
593	T	58.6	Low	49.7	Very low	36.5 Å²	36.5	59.9 Å²	59.9	22%	0.224	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	122.9	160.5	-63	0	0	0	0	109.7	G516 T517 V518 I845 I1020	G516-T593 PolarHBondContact O-N 3.13Å; T517-T593 CarbonylContact C-O 3.54Å; T517-T593 WeakPolarHBondContact CA-O 3.24Å; T517-T593 HydrophobicContact CG2-CG2 4.22Å; V518-T593 PolarHBondContact N-O 2.86Å; T593-I845 HydrophobicContact CG2-CD1 3.96Å; T593-I845 WeakPolarHBondContact OG1-CD1 3.36Å; T593-I1020 HydrophobicContact CG2-CD1 3.97Å
594	L	54.9	Low	48.2	Very low	41 Å²	41	63.7 Å²	63.7	22%	0.215	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	111.7	-178.3	-175	61.4	0	0	0	110.3	V518 S523 L596 V664 L665 C666	V518-L594 HydrophobicContact CB-CD1 3.85Å; V518-L594 HydrophobicContact CG1-CD1 3.97Å; V518-L594 WeakPolarHBondContact O-CA 3.3Å; S523-L594 WeakPolarHBondContact OG-CD1 3.22Å; L594-L596 HydrophobicContact CD1-CD1 4.01Å; L594-L596 HydrophobicContact CD1-CG 4.12Å; L594-L596 HydrophobicContact CD2-CD1 3.67Å; L594-L596 HydrophobicContact CG-CD1 3.61Å; L594-L596 HydrophobicContact CG-CG 3.97Å; L594-V664 PolarHBondContact N-O 3.22Å; L594-L665 HydrophobicContact CD2-CD1 4.1Å; L594-L665 HydrophobicContact CG-CD1 4.33Å; L594-C666 PolarHBondContact O-N 3.24Å
595	S	53.2	Low	46.7	Very low	34 Å²	34	67.6 Å²	67.6	24%	0.238	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	119.9	175.9	-172.8	0	0	0	0	109.7	V518 H519 C520	V518-S595 PolarHBondContact O-N 3.02Å; H519-S595 WeakPolarHBondContact CA-O 3.39Å; H519-S595 WeakPolarHBondContact CD2-CB 3.24Å; H519-S595 PolarHBondContact CD2-OG 3.05Å; H519-S595 VanDerWaalsContact CD2-OG 3.22Å; H519-S595 PolarHBondContact NE2-OG 2.99Å; C520-S595 PolarHBondContact N-O 2.91Å; C520-S595 VanDerWaalsContact N-O 3.09Å
596	L	47.7	Very low	44.9	Very low	34.5 Å²	34.5	68 Å²	68	18%	0.181	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	125.8	-173	-135.4	120.2	0	0	0	111.9	C520 L594 V598 L665 C666	C520-L596 HydrophobicContact CB-CD1 3.71Å; C520-L596 WeakPolarHBondContact O-CA 3.33Å; C520-L596 VanDerWaalsContact SG-CD2 3.59Å; L594-L596 HydrophobicContact CD1-CD1 4.01Å; L594-L596 HydrophobicContact CD1-CG 4.12Å; L594-L596 HydrophobicContact CD2-CD1 3.67Å; L594-L596 HydrophobicContact CG-CD1 3.61Å; L594-L596 HydrophobicContact CG-CG 3.97Å; L596-V598 HydrophobicContact CD1-CG2 4.05Å; L596-V598 HydrophobicContact CG-CG2 4.09Å; L596-L665 HydrophobicContact CB-CD1 4.19Å; L596-L665 HydrophobicContact CD1-CD1 3.91Å; L596-C666 PolarHBondContact N-O 3.25Å
597	N	43.2	Very low	42.9	Very low	76.5 Å²	76.5	69.9 Å²	69.9	41%	0.409	41%	0.412	S	S	.	.	S	Bend	trans	-94.2	38.5	164.6	-75.1	-16.1	0	0	0	110.2	C520 Q522 R667	C520-N597 PolarHBondContact O-N 2.86Å; Q522-N597 PolarHBondContact N-O 2.97Å; N597-R667 PolarHBondContact O-NE 2.9Å
598	V	36.3	Very low	41.1	Very low	75 Å²	75	73.5 Å²	73.5	46%	0.455	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	119.4	176.6	-174.9	0	0	0	0	109.9	A521 Q522 L596	A521-V598 PolarHBondContact O-N 2.98Å; A521-V598 VanDerWaalsContact O-N 3.1Å; Q522-V598 WeakPolarHBondContact CA-O 3Å; Q522-V598 WeakPolarHBondContact O-CA 3Å; L596-V598 HydrophobicContact CD1-CG2 4.05Å; L596-V598 HydrophobicContact CG-CG2 4.09Å
599	G	31.2	Very low	39.3	Very low	35.5 Å²	35.5	78 Å²	78	37%	0.366	45%	0.452	S	S	.	.			trans	-141.2	153.7	175.8	0	0	0	0	0	112.1	Q522 V524	Q522-G599 PolarHBondContact O-N 2.8Å; V524-G599 PolarHBondContact N-O 2.91Å
600	C	31.4	Very low	37.7	Very low	94 Å²	94	82.4 Å²	82.4	64%	0.635	47%	0.473	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.5	145.1	-177.8	-66.2	0	0	0	0	110.8
601	Q	27.5	Very low	36.3	Very low	122.333 Å²	122.333	86.8 Å²	86.8	57%	0.572	50%	0.495	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117	118.6	170.3	-169.8	179.8	24.8	0	0	108.7	V524 T526 V603 D663	V524-Q601 PolarHBondContact O-N 2.93Å; T526-Q601 PolarHBondContact N-O 2.87Å; Q601-V603 PolarHBondContact O-N 2.93Å; Q601-V603 VanDerWaalsContact O-N 3.17Å; Q601-D663 PolarHBondContact NE2-OD2 2.83Å
602	A	26.7	Very low	35.2	Very low	68.6667 Å²	68.6667	91.3 Å²	91.3	57%	0.567	52%	0.517	S	S	*	.			trans	-126.5	134.2	-176.6	0	0	0	0	0	111.9
603	V	27.6	Very low	34.1	Very low	106.333 Å²	106.333	97.3 Å²	97.3	64%	0.644	55%	0.546	S	S	*	.			trans	-111.6	116.3	172.9	179.6	0	0	0	0	108.1	P528 Q601 I605	P528-V603 WeakPolarHBondContact CG-O 2.96Å; Q601-V603 PolarHBondContact O-N 2.93Å; Q601-V603 VanDerWaalsContact O-N 3.17Å; V603-I605 HydrophobicContact CG1-CG1 4.49Å; V603-I605 PolarHBondContact O-N 2.92Å
604	L	25.4	Very low	32.8	Very low	132.333 Å²	132.333	101.1 Å²	101.1	69%	0.693	57%	0.569	S	S	*	*			trans	-94.3	120.1	-179.2	-77.2	168.6	0	0	0	111.4	E529 Q569 T570	E529-L604 VanDerWaalsContact OE2-O 3.06Å; Q569-L604 HydrophobicContact CG-CD1 3.84Å; T570-L604 HydrophobicContact CG2-CD1 3.96Å; T570-L604 HydrophobicContact CG2-CD2 3.82Å
605	I	25.9	Very low	31.5	Very low	133.667 Å²	133.667	102.7 Å²	102.7	69%	0.685	59%	0.589	S	S	*	*			trans	-114.4	130.9	165.5	-51.6	173.5	0	0	0	108	E529 V603 E607	E529-I605 WeakPolarHBondContact OE2-CA 2.9Å; E529-I605 VanDerWaalsContact OE2-CG1 3.26Å; E529-I605 WeakPolarHBondContact OE2-CG1 3.22Å; V603-I605 HydrophobicContact CG1-CG1 4.49Å; V603-I605 PolarHBondContact O-N 2.92Å; I605-E607 HydrophobicContact CG2-CG 4.37Å
606	S	26.3	Very low	30.5	Very low	96.6667 Å²	96.6667	106.3 Å²	106.3	68%	0.676	61%	0.609	S	S	*	*			trans	-128.8	141.6	175.4	-67.2	0	0	0	0	111.8
607	E	27.8	Very low	29.6	Very low	165.667 Å²	165.667	110.8 Å²	110.8	77%	0.774	63%	0.633	S	S	*	*			trans	-134.2	160.2	165.3	-81.9	-172.5	165.4	0	0	112.2	I605	I605-E607 HydrophobicContact CG2-CG 4.37Å
608	D	28.2	Very low	28.9	Very low	115.333 Å²	115.333	114.4 Å²	114.4	62%	0.617	65%	0.647	S	S	*	*			trans	-87.7	156.2	-162.7	-87.1	-58.8	0	0	0	116.5	Q499 P532 L610	Q499-D608 HydrophobicContact CG-CB 4.24Å; Q499-D608 VanDerWaalsContact CG-OD1 3.26Å; Q499-D608 WeakPolarHBondContact CG-OD1 3.16Å; Q499-D608 PolarHBondContact NE2-OD1 3.11Å; Q499-D608 PolarHBondContact NE2-OD2 3.49Å; P532-D608 WeakPolarHBondContact CB-OD1 2.96Å; D608-L610 PolarHBondContact O-N 2.88Å
609	L	27.2	Very low	28.5	Very low	134.333 Å²	134.333	117.2 Å²	117.2	70%	0.703	66%	0.664	S	S	*	*			trans	-85.2	127.4	172.3	-72.3	152.5	0	0	0	112.9	M497 A498 Q499 M611	M497-L609 HydrophobicContact CE-CB 4.21Å; M497-L609 HydrophobicContact CE-CD1 3.68Å; M497-L609 HydrophobicContact CE-CG 3.88Å; M497-L609 HydrophobicContact SD-CD1 3.92Å; A498-L609 HydrophobicContact CB-CB 3.91Å; Q499-L609 WeakPolarHBondContact CB-O 2.78Å; Q499-L609 WeakPolarHBondContact CG-O 3.45Å; L609-M611 PolarHBondContact O-N 3.2Å
610	L	27.8	Very low	28.4	Very low	131 Å²	131	118.6 Å²	118.6	69%	0.686	68%	0.678	S	S	*	*			trans	-136.2	134	158.4	-120.6	157.6	0	0	0	113.7	H535 D608 N612	H535-L610 WeakPolarHBondContact CE1-CD1 3.39Å; H535-L610 WeakPolarHBondContact ND1-CG 3.2Å; D608-L610 PolarHBondContact O-N 2.88Å; L610-N612 VanDerWaalsContact CD2-ND2 3.27Å; L610-N612 WeakPolarHBondContact CD2-ND2 3.18Å
611	M	28.9	Very low	28.2	Very low	144.333 Å²	144.333	120 Å²	120	71%	0.711	69%	0.689	S	S	*	*			trans	-92.1	130.7	163.6	-88.7	-134.9	175.7	0	0	115.8	L609	L609-M611 PolarHBondContact O-N 3.2Å
612	N	29.8	Very low	28.2	Very low	127.667 Å²	127.667	121.8 Å²	121.8	68%	0.683	70%	0.701	S	S	*	*			trans	-81	136.4	161.4	-65.1	-36.2	0	0	0	114.8	L610	L610-N612 VanDerWaalsContact CD2-ND2 3.27Å; L610-N612 WeakPolarHBondContact CD2-ND2 3.18Å
613	D	30	Very low	28.2	Very low	137 Å²	137	125.9 Å²	125.9	73%	0.733	71%	0.713	S	S	*	*			trans	39	120	163	-68.4	-34.3	0	0	0	120.5	A615	D613-A615 PolarHBondContact O-N 3.49Å
614	V	31.8	Very low	28.2	Very low	116.667 Å²	116.667	126.3 Å²	126.3	71%	0.707	72%	0.718	S	S	*	*			trans	-96.8	98.7	164.4	-171.6	0	0	0	0	111.8
615	A	28.8	Very low	28.2	Very low	76 Å²	76	124.8 Å²	124.8	63%	0.628	72%	0.718	S	S	*	*			trans	-92.6	146	177.8	0	0	0	0	0	112.3	D613	D613-A615 PolarHBondContact O-N 3.49Å
616	V	31.6	Very low	28.2	Very low	108.333 Å²	108.333	127.5 Å²	127.5	66%	0.657	73%	0.725	S	S	*	*			trans	-138.2	101.1	156.4	173	0	0	0	0	109.6	H618	V616-H618 PolarHBondContact O-N 2.86Å; V616-H618 VanDerWaalsContact O-N 3.16Å
617	D	27.7	Very low	28.1	Very low	129.667 Å²	129.667	128.1 Å²	128.1	69%	0.693	73%	0.729	S	S	*	*			trans	-71.1	130.8	-179.6	-98.8	-35.6	0	0	0	112.6	V619	D617-V619 HydrophobicContact CB-CG2 4.4Å; D617-V619 PolarHBondContact O-N 3.48Å
618	H	29.7	Very low	28.1	Very low	152.667 Å²	152.667	128.5 Å²	128.5	71%	0.707	73%	0.731	S	S	*	*			trans	-138.1	85.3	160.7	-139.1	67.9	0	0	0	111.5	V616 G620	V616-H618 PolarHBondContact O-N 2.86Å; V616-H618 VanDerWaalsContact O-N 3.16Å; H618-G620 PolarHBondContact O-N 3.46Å
619	V	27.4	Very low	28.1	Very low	134 Å²	134	126.4 Å²	126.4	81%	0.812	74%	0.737	S	S	*	*			trans	-78.4	91.9	156.6	-176.2	0	0	0	0	112.4	D617	D617-V619 HydrophobicContact CB-CG2 4.4Å; D617-V619 PolarHBondContact O-N 3.48Å
620	G	28.7	Very low	28.1	Very low	64.3333 Å²	64.3333	125.1 Å²	125.1	66%	0.663	73%	0.734	S	S	*	*			trans	-165.9	123.8	176.5	0	0	0	0	0	114.8	H618 I622	H618-G620 PolarHBondContact O-N 3.46Å; G620-I622 PolarHBondContact O-N 3.03Å
621	S	26.8	Very low	28	Very low	123.667 Å²	123.667	127.3 Å²	127.3	87%	0.865	74%	0.741	S	S	*	*			trans	-84.5	119.3	-176	178.8	0	0	0	0	113.6
622	I	27.3	Very low	28	Very low	159.333 Å²	159.333	123.2 Å²	123.2	82%	0.817	73%	0.73	S	S	*	*			trans	-157.9	141.4	149.4	-60.5	170.4	0	0	0	113.1	G620	G620-I622 PolarHBondContact O-N 3.03Å
623	N	27	Very low	27.7	Very low	154.333 Å²	154.333	120.2 Å²	120.2	83%	0.825	73%	0.729	S	S	*	*			trans	-122.4	153.3	172.6	-119.9	-30.4	0	0	0	111.1
624	P	29.3	Very low	27.6	Very low	115 Å²	115	118.4 Å²	118.4	75%	0.747	72%	0.723	S	S	*	*			trans	-106.9	136.7	-136.5	35.2	-28.5	0	0	0	114.4
625	C	24.6	Very low	27.3	Very low	101 Å²	101	120.2 Å²	120.2	68%	0.682	72%	0.724	S	S	*	*			trans	172	153.4	149.2	-150	0	0	0	0	115.7
626	F	25.8	Very low	27.3	Very low	191.333 Å²	191.333	121.6 Å²	121.6	84%	0.839	72%	0.724	S	S	*	*			trans	73.8	128.7	174.6	-59	-71.9	0	0	0	119.2
627	S	24.7	Very low	26.9	Very low	108.667 Å²	108.667	123.1 Å²	123.1	76%	0.76	72%	0.724	S	S	*	*			trans	-80.2	116.7	171.4	56.4	0	0	0	0	115.2
628	Q	28.2	Very low	26.8	Very low	173.667 Å²	173.667	122.3 Å²	122.3	81%	0.812	73%	0.728	S	S	*	*			trans	-143.4	146.6	152.7	-107.1	175	-40.5	0	0	110.1	Y552	Y552-Q628 VanDerWaalsContact CD1-O 3.3Å; Y552-Q628 WeakPolarHBondContact CD1-O 3.4Å; Y552-Q628 WeakPolarHBondContact CE1-O 3.34Å; Y552-Q628 PolarHBondContact O-NE2 2.94Å
629	G	26.7	Very low	26.7	Very low	71.6667 Å²	71.6667	124.6 Å²	124.6	74%	0.739	73%	0.73	S	S	*	*			trans	-86.7	134.6	-179.4	0	0	0	0	0	112.2	Q631	G629-Q631 PolarHBondContact O-N 3.02Å
630	V	27.7	Very low	26.7	Very low	107.667 Å²	107.667	125.2 Å²	125.2	65%	0.653	73%	0.729	S	S	*	*			trans	-100.6	119.8	170.3	-179.9	0	0	0	0	108.7	Y552	Y552-V630 HydrophobicContact CD1-CG2 4.03Å; Y552-V630 HydrophobicContact CE1-CG2 3.66Å; Y552-V630 HydrophobicContact CE2-CG2 4.18Å; Y552-V630 HydrophobicContact CG-CG2 4.44Å
631	Q	25.9	Very low	26.5	Very low	175.667 Å²	175.667	128 Å²	128	82%	0.821	73%	0.733	S	S	*	*			trans	-100.6	102.2	173.2	-177.7	-177.8	-5.6	0	0	109.3	G629	G629-Q631 PolarHBondContact O-N 3.02Å
632	A	27.6	Very low	26.3	Very low	58.6667 Å²	58.6667	130.4 Å²	130.4	49%	0.485	73%	0.73	S	S	.	*			trans	-98.6	129.6	165.4	0	0	0	0	0	109.1	V541 T558	V541-A632 HydrophobicContact CG2-CB 3.9Å; T558-A632 PolarHBondContact N-O 3Å
633	G	24.8	Very low	26.1	Very low	64.6667 Å²	64.6667	129 Å²	129	67%	0.667	72%	0.723	S	S	*	*			trans	-144.1	131.9	174.8	0	0	0	0	0	111.8	T558	T558-G633 WeakPolarHBondContact O-CA 3.39Å
634	T	27.7	Very low	25.8	Very low	100 Å²	100	129 Å²	129	61%	0.613	72%	0.718	S	S	*	*			trans	-110.9	134.5	175.4	-45.5	0	0	0	0	109.4	V636	T634-V636 HydrophobicContact CG2-CG2 3.84Å; T634-V636 PolarHBondContact O-N 2.95Å
635	Q	25.9	Very low	25.6	Very low	153 Å²	153	129.3 Å²	129.3	72%	0.715	72%	0.721	S	S	*	*			trans	-117.6	122.9	174.6	177.6	178.6	26.4	0	0	108.1	E637	Q635-E637 PolarHBondContact NE2-OE2 2.93Å
636	V	27.6	Very low	25.4	Very low	105.333 Å²	105.333	129.2 Å²	129.2	64%	0.638	72%	0.718	S	S	*	*			trans	-125.5	129.7	176.4	-176.5	0	0	0	0	108	T634 C638	T634-V636 HydrophobicContact CG2-CG2 3.84Å; T634-V636 PolarHBondContact O-N 2.95Å; V636-C638 PolarHBondContact O-N 2.88Å
637	E	24.4	Very low	25.5	Very low	141 Å²	141	127.9 Å²	127.9	66%	0.659	72%	0.718	S	S	*	*			trans	-120.3	122.6	-179.1	-174.4	177.5	175.1	0	0	109.2	Q635 R639	Q635-E637 PolarHBondContact NE2-OE2 2.93Å; E637-R639 PolarHBondContact O-N 3.44Å; E637-R639 IonicContact OE1-CZ 3.31Å; E637-R639 VanDerWaalsContact OE1-CZ 3.26Å; E637-R639 IonicContact OE1-NE 3.75Å; E637-R639 PolarHBondContact OE1-NE 3.05Å; E637-R639 IonicContact OE1-NH2 3.68Å; E637-R639 PolarHBondContact OE1-NH2 2.93Å
638	C	26.1	Very low	25.4	Very low	112.667 Å²	112.667	131.4 Å²	131.4	76%	0.761	72%	0.719	S	S	*	*			trans	-113.5	135.4	-179	-63.2	0	0	0	0	110.1	V636	V636-C638 PolarHBondContact O-N 2.88Å
639	R	26.6	Very low	25.4	Very low	201.333 Å²	201.333	129.4 Å²	129.4	76%	0.76	71%	0.714	S	S	*	*			trans	-122.3	136.4	174.3	-65.1	-174.4	-176.6	-149.8	1	111.3	E637	E637-R639 PolarHBondContact O-N 3.44Å; E637-R639 IonicContact OE1-CZ 3.31Å; E637-R639 VanDerWaalsContact OE1-CZ 3.26Å; E637-R639 IonicContact OE1-NE 3.75Å; E637-R639 PolarHBondContact OE1-NE 3.05Å; E637-R639 IonicContact OE1-NH2 3.68Å; E637-R639 PolarHBondContact OE1-NH2 2.93Å
640	N	27.3	Very low	25.3	Very low	146.333 Å²	146.333	134.4 Å²	134.4	78%	0.783	72%	0.716	S	S	*	*			trans	-50	141.2	172.5	-58.6	-3	0	0	0	114.2
641	V	25.1	Very low	25.2	Very low	124 Å²	124	138.3 Å²	138.3	75%	0.752	73%	0.726	S	S	*	*			trans	-116.1	138.3	169.1	179.4	0	0	0	0	109
642	E	21.6	Very low	25.1	Very low	172.333 Å²	172.333	136.7 Å²	136.7	81%	0.805	73%	0.728	S	S	*	*			trans	-106.7	124	-177.9	-177.3	179.4	-156.5	0	0	110	Q644	E642-Q644 PolarHBondContact O-N 3.06Å
643	I	24	Very low	25.1	Very low	131.333 Å²	131.333	139.4 Å²	139.4	67%	0.674	74%	0.738	S	S	*	*			trans	-104.9	116.1	-180	-63.5	-179.8	0	0	0	110.3	T570 D571	T570-I643 VanDerWaalsContact C-CD1 3.45Å; T570-I643 WeakPolarHBondContact O-CD1 3.04Å; D571-I643 HydrophobicContact CB-CD1 3.79Å
644	Q	21.2	Very low	25.1	Very low	154.667 Å²	154.667	143.4 Å²	143.4	72%	0.723	75%	0.745	S	S	*	*			trans	-108.8	111.6	-179.8	-176.6	175.1	102.5	0	0	110.1	E642 V646	E642-Q644 PolarHBondContact O-N 3.06Å; Q644-V646 HydrophobicContact CG-CG2 4.22Å
645	C	24	Very low	25.1	Very low	120 Å²	120	144.2 Å²	144.2	81%	0.811	74%	0.744	S	S	*	*			trans	-95.8	130.2	177.9	-162.3	0	0	0	0	111
646	V	21.7	Very low	25	Very low	100 Å²	100	147.4 Å²	147.4	61%	0.606	75%	0.749	S	S	*	*			trans	-122.5	104.6	-175.7	179.9	0	0	0	0	110	Q644 K648	Q644-V646 HydrophobicContact CG-CG2 4.22Å; V646-K648 HydrophobicContact CG1-CG 4.41Å; V646-K648 PolarHBondContact O-N 3.11Å
647	I	26.1	Very low	25.1	Very low	163.333 Å²	163.333	149.2 Å²	149.2	84%	0.838	76%	0.755	S	S	*	*			trans	-77.7	126	172.9	-56.7	176.4	0	0	0	109
648	K	24	Very low	25.3	Very low	181.333 Å²	181.333	146.5 Å²	146.5	79%	0.788	76%	0.757	S	S	*	*			trans	-115.1	141	172.9	-83.8	-174.7	175.7	176.5	0	111.6	V646	V646-K648 HydrophobicContact CG1-CG 4.41Å; V646-K648 PolarHBondContact O-N 3.11Å
649	D	26.6	Very low	25.4	Very low	133.333 Å²	133.333	147.8 Å²	147.8	71%	0.713	76%	0.756	S	S	*	*			trans	46.9	139.8	-179.3	-100.3	-29	0	0	0	116.8
650	K	24.7	Very low	25.5	Very low	176.333 Å²	176.333	140.7 Å²	140.7	77%	0.767	74%	0.741	S	S	*	*			trans	57.4	107.7	165	-65.7	163.9	-175.2	148.4	0	115.6
651	H	27.6	Very low	25.5	Very low	189.667 Å²	189.667	140.2 Å²	140.2	88%	0.878	73%	0.734	S	S	*	*			trans	-135.7	142.5	144	-103.2	-93.1	0	0	0	110
652	V	23.8	Very low	25.7	Very low	142.333 Å²	142.333	140.9 Å²	140.9	86%	0.863	73%	0.727	S	S	*	*			trans	-105	121.6	178.4	178.2	0	0	0	0	108.5
653	V	26.5	Very low	26.1	Very low	114 Å²	114	137.7 Å²	137.7	69%	0.691	72%	0.716	S	S	*	*			trans	-114.4	138	172.7	-174.2	0	0	0	0	108.5	I655	V653-I655 VanDerWaalsContact C-N 3.35Å; V653-I655 HydrophobicContact CB-CG1 4.22Å; V653-I655 HydrophobicContact CG1-CD1 4.26Å; V653-I655 HydrophobicContact CG1-CG1 3.88Å; V653-I655 PolarHBondContact O-N 2.87Å; V653-I655 VanDerWaalsContact O-N 3.17Å
654	N	23.9	Very low	26.4	Very low	149.333 Å²	149.333	134.4 Å²	134.4	80%	0.799	70%	0.702	S	S	*	*			trans	-102	83.7	-173.4	-169.4	-14.7	0	0	0	109.4
655	I	28.4	Very low	26.8	Very low	116 Å²	116	133.4 Å²	133.4	60%	0.595	70%	0.7	S	S	*	*			trans	-90.2	136.4	-178.1	-56.4	-178.7	0	0	0	109	V653	V653-I655 VanDerWaalsContact C-N 3.35Å; V653-I655 HydrophobicContact CB-CG1 4.22Å; V653-I655 HydrophobicContact CG1-CD1 4.26Å; V653-I655 HydrophobicContact CG1-CG1 3.88Å; V653-I655 PolarHBondContact O-N 2.87Å; V653-I655 VanDerWaalsContact O-N 3.17Å
656	R	24.9	Very low	27	Very low	221.667 Å²	221.667	130.7 Å²	130.7	84%	0.836	68%	0.682	S	S	*	*			trans	-111.7	81.1	173.5	-98.9	177.9	-102.1	158.3	0.8	109.5
657	D	29.4	Very low	27.2	Very low	142 Å²	142	135 Å²	135	76%	0.759	69%	0.688	S	S	*	*	S	Bend	trans	-170.5	154.8	-178	-56	-49	0	0	0	108.6	D659	D657-D659 PolarHBondContact O-N 3Å
658	A	27.2	Very low	27.3	Very low	84.3333 Å²	84.3333	132.4 Å²	132.4	70%	0.697	67%	0.672	S	S	*	*			trans	-102.8	58.3	-149.3	0	0	0	0	0	115.9	V764	A658-V764 HydrophobicContact CB-CG2 4.49Å
659	D	28.6	Very low	27.3	Very low	139.333 Å²	139.333	130.6 Å²	130.6	75%	0.745	67%	0.666	S	S	*	*			trans	-73.3	133.4	172.3	-79.3	-48.6	0	0	0	112.6	D657	D657-D659 PolarHBondContact O-N 3Å
660	A	28.7	Very low	27.3	Very low	54 Å²	54	131.4 Å²	131.4	45%	0.446	67%	0.666	S	S	.	*			trans	-137.1	96.4	178.3	0	0	0	0	0	111.9	Q590 F662	Q590-A660 PolarHBondContact N-O 3.2Å; A660-F662 HydrophobicContact CB-CE2 4.28Å
661	Q	28.4	Very low	27.2	Very low	134.333 Å²	134.333	128.5 Å²	128.5	63%	0.628	66%	0.663	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-105.7	129.4	-179.8	-173.6	178.8	36.2	0	0	111	D663	Q661-D663 WeakPolarHBondContact CG-OD2 3.28Å
662	F	28.7	Very low	27.2	Very low	138.667 Å²	138.667	126.3 Å²	126.3	61%	0.608	65%	0.653	S	S	*	*			trans	-139	122.1	177.1	-68.7	-83.4	0	0	0	111.2	Q590 A660 T766	Q590-F662 PolarHBondContact O-N 2.83Å; A660-F662 HydrophobicContact CB-CE2 4.28Å; F662-T766 HydrophobicContact CE2-CG2 4.44Å
663	D	30.2	Very low	27.1	Very low	106 Å²	106	125.2 Å²	125.2	57%	0.567	65%	0.647	S	S	*	*			trans	-122.9	147.1	178.6	-103.5	-38.3	0	0	0	111.4	G592 Q601 Q661	G592-D663 WeakPolarHBondContact CA-OD1 3.45Å; G592-D663 PolarHBondContact N-OD1 2.81Å; Q601-D663 PolarHBondContact NE2-OD2 2.83Å; Q661-D663 WeakPolarHBondContact CG-OD2 3.28Å
664	V	29.9	Very low	27	Very low	62.3333 Å²	62.3333	128.6 Å²	128.6	38%	0.378	65%	0.652	S	S	.	*			trans	-129.4	106.5	-177.7	-173.8	0	0	0	0	110.7	G592 L594 C666 I770 I845	G592-V664 PolarHBondContact O-N 2.92Å; L594-V664 PolarHBondContact N-O 3.22Å; V664-C666 PolarHBondContact O-N 2.88Å; V664-I770 HydrophobicContact CB-CD1 4.32Å; V664-I770 HydrophobicContact CG1-CD1 3.64Å; V664-I770 HydrophobicContact CG1-CG1 4.35Å; V664-I770 HydrophobicContact CG2-CD1 3.67Å; V664-I770 HydrophobicContact CG2-CG1 4.08Å; V664-I845 HydrophobicContact CB-CD1 3.75Å; V664-I845 HydrophobicContact CG1-CD1 4.12Å; V664-I845 HydrophobicContact CG2-CD1 3.82Å
665	L	29.4	Very low	27	Very low	133.333 Å²	133.333	126.6 Å²	126.6	70%	0.698	65%	0.651	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-93.8	111.1	175.9	-178.6	67.6	0	0	0	110.7	L594 L596	L594-L665 HydrophobicContact CD2-CD1 4.1Å; L594-L665 HydrophobicContact CG-CD1 4.33Å; L596-L665 HydrophobicContact CB-CD1 4.19Å; L596-L665 HydrophobicContact CD1-CD1 3.91Å
666	C	27.7	Very low	26.9	Very low	63.6667 Å²	63.6667	128.6 Å²	128.6	43%	0.43	66%	0.662	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.5	132.5	171.9	-133.8	0	0	0	0	110.7	L594 L596 V664	L594-C666 PolarHBondContact O-N 3.24Å; L596-C666 PolarHBondContact N-O 3.25Å; V664-C666 PolarHBondContact O-N 2.88Å
667	R	26.5	Very low	27	Very low	189.667 Å²	189.667	123.4 Å²	123.4	72%	0.716	66%	0.656	S	S	*	*			trans	-128.1	114.5	-178.4	-169.8	-173.9	-165.7	-160.4	4.9	109.9	N597	N597-R667 PolarHBondContact O-NE 2.9Å
668	Q	27.9	Very low	26.8	Very low	109 Å²	109	122 Å²	122	51%	0.509	66%	0.658	S	S	.	*			trans	-104.5	137.1	175.5	-130.5	169.1	-5.6	0	0	109.5	E849	Q668-E849 PolarHBondContact NE2-OE1 2.85Å
669	Q	24.8	Very low	26.8	Very low	143.333 Å²	143.333	124.2 Å²	124.2	67%	0.67	66%	0.662	S	S	*	*			trans	-142	101.2	-177.4	-173.8	175.3	0.3	0	0	109.7	T671	Q669-T671 PolarHBondContact O-N 2.94Å; Q669-T671 PolarHBondContact O-OG1 2.96Å
670	E	25.7	Very low	26.7	Very low	151 Å²	151	124.1 Å²	124.1	71%	0.706	67%	0.668	S	S	*	*			trans	-79.6	134.3	177.3	-68.4	-168.7	164.6	0	0	111.1	Q672	E670-Q672 PolarHBondContact O-N 2.98Å; E670-Q672 PolarHBondContact OE2-NE2 3.47Å
671	T	23.6	Very low	26.7	Very low	114.667 Å²	114.667	127.6 Å²	127.6	70%	0.703	68%	0.683	S	S	*	*			trans	-123.8	87.6	177.1	-57.8	0	0	0	0	109.5	Q669 T673	Q669-T671 PolarHBondContact O-N 2.94Å; Q669-T671 PolarHBondContact O-OG1 2.96Å; T671-T673 PolarHBondContact O-N 2.83Å
672	Q	26.1	Very low	26.6	Very low	144.333 Å²	144.333	130.2 Å²	130.2	67%	0.674	69%	0.693	S	S	*	*			trans	-81	124.2	171.3	-68.3	-165.9	9.6	0	0	110.6	E670 F674	E670-Q672 PolarHBondContact O-N 2.98Å; E670-Q672 PolarHBondContact OE2-NE2 3.47Å; Q672-F674 PolarHBondContact O-N 3.14Å; Q672-F674 VanDerWaalsContact O-N 3.1Å
673	T	22.5	Very low	26.5	Very low	119 Å²	119	132.3 Å²	132.3	73%	0.73	70%	0.704	S	S	*	*			trans	-100.9	98.6	179.2	-57.4	0	0	0	0	110.5	T671 S675	T671-T673 PolarHBondContact O-N 2.83Å; T673-S675 PolarHBondContact O-N 2.93Å
674	F	24.9	Very low	26.3	Very low	184 Å²	184	130.6 Å²	130.6	81%	0.807	71%	0.712	S	S	*	*			trans	-89.1	128.4	169.2	-92	-91.8	0	0	0	111	Q672	Q672-F674 PolarHBondContact O-N 3.14Å; Q672-F674 VanDerWaalsContact O-N 3.1Å
675	S	24.3	Very low	26.2	Very low	108.333 Å²	108.333	133.2 Å²	133.2	76%	0.758	73%	0.733	S	S	*	*			trans	-99.6	111.1	-178	-61.9	0	0	0	0	110.6	T673 P677	T673-S675 PolarHBondContact O-N 2.93Å; S675-P677 WeakPolarHBondContact O-CD 3.09Å
676	L	25.9	Very low	26	Very low	158.333 Å²	158.333	133.2 Å²	133.2	83%	0.829	74%	0.738	S	S	*	*			trans	-90.9	130.9	177.2	-157.1	77.2	0	0	0	110.9	S678	L676-S678 PolarHBondContact O-N 2.93Å; L676-S678 VanDerWaalsContact O-N 3.14Å
677	P	25.7	Very low	26	Very low	111 Å²	111	138.9 Å²	138.9	72%	0.721	76%	0.758	S	S	*	*			trans	-93.5	121.8	170.6	32.8	-33.1	0	0	0	111.7	S675 T679	S675-P677 WeakPolarHBondContact O-CD 3.09Å; P677-T679 PolarHBondContact O-N 2.85Å
678	S	27	Very low	26	Very low	113.333 Å²	113.333	138.1 Å²	138.1	79%	0.793	76%	0.762	S	S	*	*			trans	-94.2	111.5	174.2	-63	0	0	0	0	111.8	L676 T680	L676-S678 PolarHBondContact O-N 2.93Å; L676-S678 VanDerWaalsContact O-N 3.14Å; S678-T680 PolarHBondContact O-N 2.89Å
679	T	26.4	Very low	25.9	Very low	129.667 Å²	129.667	138.4 Å²	138.4	80%	0.796	77%	0.772	S	S	*	*			trans	-97.1	125.5	173.9	50.3	0	0	0	0	111.3	P677	P677-T679 PolarHBondContact O-N 2.85Å
680	T	26.3	Very low	26.2	Very low	139 Å²	139	137.3 Å²	137.3	85%	0.853	78%	0.777	S	S	*	*			trans	-110	120.8	164.6	38.3	0	0	0	0	112.7	S678	S678-T680 PolarHBondContact O-N 2.89Å
681	T	28.6	Very low	26.3	Very low	126.667 Å²	126.667	136.3 Å²	136.3	78%	0.777	78%	0.781	S	S	*	*			trans	-70.7	140.1	160.7	-13.7	0	0	0	0	113.2
682	K	26.6	Very low	26.5	Very low	189 Å²	189	136.7 Å²	136.7	82%	0.822	78%	0.784	S	S	*	*			trans	-119	120.7	151.6	-74.9	-179.7	171.1	-152.7	0	112.9
683	E	27.3	Very low	26.6	Very low	183.333 Å²	183.333	136 Å²	136	86%	0.857	79%	0.79	S	S	*	*			trans	173.1	142.7	149.4	-92.6	165.6	165.6	0	0	112.7
684	G	25.8	Very low	26.8	Very low	69.6667 Å²	69.6667	137.9 Å²	137.9	72%	0.718	79%	0.79	S	S	*	*			cis	179.9	54.7	-1.7	0	0	0	0	0	116.2	V686	G684-V686 PolarHBondContact O-N 3.42Å
685	S	27.1	Very low	27	Very low	117.333 Å²	117.333	137.4 Å²	137.4	82%	0.821	80%	0.795	S	S	*	*			trans	-84.2	116.2	175.4	58.6	0	0	0	0	115.9	Q687	S685-Q687 PolarHBondContact O-N 2.66Å
686	V	26.1	Very low	27.2	Very low	133.333 Å²	133.333	138.3 Å²	138.3	81%	0.808	79%	0.79	S	S	*	*			trans	-80.6	111.7	159.8	179	0	0	0	0	112.9	G684	G684-V686 PolarHBondContact O-N 3.42Å
687	Q	26.8	Very low	27.3	Very low	183.667 Å²	183.667	138.1 Å²	138.1	86%	0.858	79%	0.79	S	S	*	*			trans	-133.5	135.2	155.5	-109.1	177.2	4.4	0	0	110.3	S685 T689	S685-Q687 PolarHBondContact O-N 2.66Å; Q687-T689 PolarHBondContact O-N 3.04Å
688	H	26.3	Very low	27.5	Very low	171.333 Å²	171.333	142 Å²	142	79%	0.793	80%	0.795	S	S	*	*			trans	-117.9	128.2	-160.9	-121.5	-99.9	0	0	0	110	P690	H688-P690 VanDerWaalsContact O-CD 3.27Å; H688-P690 WeakPolarHBondContact O-CD 3.4Å
689	T	26.3	Very low	27.3	Very low	116.333 Å²	116.333	145.4 Å²	145.4	71%	0.714	80%	0.796	S	S	*	*			trans	-96	127.5	170.1	22.5	0	0	0	0	111.9	Q687 T691	Q687-T689 PolarHBondContact O-N 3.04Å; T689-T691 PolarHBondContact O-N 3.01Å; T689-T691 VanDerWaalsContact O-N 3.1Å
690	P	30.8	Very low	27.2	Very low	120 Å²	120	147.1 Å²	147.1	78%	0.779	80%	0.799	S	S	*	*			trans	-82.2	129	174.9	32.2	-32.9	0	0	0	111.5	H688 T692	H688-P690 VanDerWaalsContact O-CD 3.27Å; H688-P690 WeakPolarHBondContact O-CD 3.4Å; P690-T692 PolarHBondContact O-N 3.42Å
691	T	28.2	Very low	27	Very low	129 Å²	129	148.7 Å²	148.7	79%	0.791	80%	0.797	S	S	*	*			trans	-105.9	118	175.1	-58.9	0	0	0	0	111.3	T689 T693	T689-T691 PolarHBondContact O-N 3.01Å; T689-T691 VanDerWaalsContact O-N 3.1Å; T691-T693 PolarHBondContact O-N 3.1Å
692	T	27	Very low	26.8	Very low	124.333 Å²	124.333	148.7 Å²	148.7	76%	0.763	80%	0.796	S	S	*	*			trans	-60.8	126.6	177	-48.5	0	0	0	0	112.8	P690 Q694	P690-T692 PolarHBondContact O-N 3.42Å; T692-Q694 PolarHBondContact O-N 3.38Å
693	T	28	Very low	26.6	Very low	129.667 Å²	129.667	144.9 Å²	144.9	80%	0.796	79%	0.789	S	S	*	*			trans	-121.9	113.2	161.8	-61.4	0	0	0	0	111.3	T691	T691-T693 PolarHBondContact O-N 3.1Å
694	Q	28	Very low	26.4	Very low	159 Å²	159	142.6 Å²	142.6	74%	0.743	79%	0.787	S	S	*	*			trans	-63	125.3	168.2	-59.6	-175.6	12.2	0	0	114.7	T692 I696	T692-Q694 PolarHBondContact O-N 3.38Å; Q694-I696 HydrophobicContact CB-CG1 4.39Å; Q694-I696 PolarHBondContact O-N 3.09Å
695	L	29.2	Very low	26.4	Very low	172.333 Å²	172.333	143.9 Å²	143.9	90%	0.902	79%	0.785	S	S	*	*			trans	-100.5	94.5	167.9	-117.4	138.6	0	0	0	111.5
696	I	27.6	Very low	26.3	Very low	128.667 Å²	128.667	146.7 Å²	146.7	66%	0.66	79%	0.785	S	S	*	*			trans	-65.6	129.6	164	-61.1	174.9	0	0	0	114.1	Q694 K698	Q694-I696 HydrophobicContact CB-CG1 4.39Å; Q694-I696 PolarHBondContact O-N 3.09Å; I696-K698 PolarHBondContact O-N 2.82Å
697	N	28.3	Very low	26.3	Very low	153 Å²	153	145.7 Å²	145.7	82%	0.818	78%	0.784	S	S	*	*			trans	-68.3	104.2	165.5	-87.3	-43.7	0	0	0	114.5
698	K	29.7	Very low	26.2	Very low	192.667 Å²	192.667	143.8 Å²	143.8	84%	0.838	78%	0.779	S	S	*	*			trans	-178	123.3	147.9	-76.1	174.5	-177.7	175.6	0	113.9	I696	I696-K698 PolarHBondContact O-N 2.82Å
699	K	23.6	Very low	26.2	Very low	186 Å²	186	146.1 Å²	146.1	81%	0.809	78%	0.78	S	S	*	*			trans	-34.5	127.5	165.2	-73.8	-170.9	170.8	-165.9	0	114.5	Q701	K699-Q701 PolarHBondContact O-N 2.84Å
700	L	24.1	Very low	26.1	Very low	165.333 Å²	165.333	148.6 Å²	148.6	87%	0.866	78%	0.784	S	S	*	*				-119.5	149.7	129.1	-146.2	74	0	0	0	108.6	V702	L700-V702 HydrophobicContact CD2-CG2 4.43Å
701	Q	22.5	Very low	25.9	Very low	173 Å²	173	147.6 Å²	147.6	81%	0.808	79%	0.786	S	S	*	*			trans	-125.3	111.2	-178.1	-179.5	177.6	-3.1	0	0	109.2	K699 T703	K699-Q701 PolarHBondContact O-N 2.84Å; Q701-T703 PolarHBondContact O-N 2.86Å
702	V	23.8	Very low	25.8	Very low	124.667 Å²	124.667	146.2 Å²	146.2	76%	0.756	79%	0.788	S	S	*	*			trans	-114.1	127.9	171.1	177.9	0	0	0	0	107.9	L700 V704	L700-V702 HydrophobicContact CD2-CG2 4.43Å; V702-V704 HydrophobicContact CG1-CG2 4.21Å
703	T	22.3	Very low	25.9	Very low	109.667 Å²	109.667	144.9 Å²	144.9	67%	0.673	79%	0.789	S	S	*	*			trans	-116.9	121	175.9	-58.4	0	0	0	0	107.6	Q701 S705	Q701-T703 PolarHBondContact O-N 2.86Å; T703-S705 PolarHBondContact O-N 3.15Å
704	V	23.5	Very low	25.7	Very low	135.333 Å²	135.333	147.4 Å²	147.4	82%	0.82	79%	0.792	S	S	*	*			trans	-126.8	122.5	165.5	163.1	0	0	0	0	108.7	V702 Q706	V702-V704 HydrophobicContact CG1-CG2 4.21Å; V704-Q706 VanDerWaalsContact C-N 3.25Å; V704-Q706 PolarHBondContact O-N 2.94Å
705	S	24.7	Very low	25.6	Very low	96.3333 Å²	96.3333	145.9 Å²	145.9	67%	0.674	79%	0.794	S	S	*	*			trans	-116.2	123.3	-176.8	22.6	0	0	0	0	110.7	T703 S707	T703-S705 PolarHBondContact O-N 3.15Å; S705-S707 PolarHBondContact O-N 3.2Å; S705-S707 PolarHBondContact O-OG 3.42Å; S705-S707 VanDerWaalsContact O-OG 3.13Å
706	Q	25	Very low	25.7	Very low	176.333 Å²	176.333	147.7 Å²	147.7	82%	0.824	79%	0.79	S	S	*	*			trans	-65.4	127.3	161.1	-136.3	171	-3.4	0	0	113.4	V704 I708	V704-Q706 VanDerWaalsContact C-N 3.25Å; V704-Q706 PolarHBondContact O-N 2.94Å; Q706-I708 VanDerWaalsContact C-N 3.33Å; Q706-I708 HydrophobicContact CG-CD1 3.95Å; Q706-I708 HydrophobicContact CG-CG1 4.08Å; Q706-I708 PolarHBondContact O-N 3.01Å
707	S	26	Very low	25.7	Very low	112 Å²	112	149.6 Å²	149.6	78%	0.783	80%	0.796	S	S	*	*			trans	-113	138.4	165.3	41.6	0	0	0	0	112.4	S705 R709	S705-S707 PolarHBondContact O-N 3.2Å; S705-S707 PolarHBondContact O-OG 3.42Å; S705-S707 VanDerWaalsContact O-OG 3.13Å; S707-R709 PolarHBondContact O-N 3.43Å
708	I	25.4	Very low	25.8	Very low	144.667 Å²	144.667	147.1 Å²	147.1	74%	0.742	79%	0.791	S	S	*	*			trans	-128.2	116.2	168.9	-61.3	162.9	0	0	0	110.3	Q706 E710	Q706-I708 VanDerWaalsContact C-N 3.33Å; Q706-I708 HydrophobicContact CG-CD1 3.95Å; Q706-I708 HydrophobicContact CG-CG1 4.08Å; Q706-I708 PolarHBondContact O-N 3.01Å; I708-E710 HydrophobicContact CG2-CG 4.39Å; I708-E710 PolarHBondContact O-N 3.27Å
709	R	26.8	Very low	25.7	Very low	219.333 Å²	219.333	145.6 Å²	145.6	83%	0.828	79%	0.79	S	S	*	*			trans	-123.5	120.8	146.7	-134.9	-178.7	-87.8	-138.8	2.8	115.6	S707 A711	S707-R709 PolarHBondContact O-N 3.43Å; R709-A711 PolarHBondContact O-N 2.89Å
710	E	23.5	Very low	26.2	Very low	168.333 Å²	168.333	142.2 Å²	142.2	79%	0.787	79%	0.787	S	S	*	*			trans	-5.4	131.4	151	-54.7	169.7	127.1	0	0	117.9	I708	I708-E710 HydrophobicContact CG2-CG 4.39Å; I708-E710 PolarHBondContact O-N 3.27Å
711	A	26.8	Very low	26.3	Very low	100 Å²	100	140.1 Å²	140.1	83%	0.826	78%	0.781	S	S	*	*			trans	-173.1	98.9	156.7	0	0	0	0	0	114.5	R709 A713	R709-A711 PolarHBondContact O-N 2.89Å; A711-A713 VanDerWaalsContact C-N 3.34Å; A711-A713 PolarHBondContact O-N 2.88Å
712	A	26.4	Very low	26.7	Very low	100.333 Å²	100.333	138.5 Å²	138.5	83%	0.829	78%	0.783	S	S	*	*			trans	-51.9	139.7	161	0	0	0	0	0	116.4	Q714	A712-Q714 PolarHBondContact O-N 2.88Å; A712-Q714 VanDerWaalsContact O-N 3.09Å
713	A	27.6	Very low	26.9	Very low	96.3333 Å²	96.3333	137.6 Å²	137.6	80%	0.796	78%	0.778	S	S	*	*			trans	-45.4	109.9	168.6	0	0	0	0	0	115.5	A711 T715	A711-A713 VanDerWaalsContact C-N 3.34Å; A711-A713 PolarHBondContact O-N 2.88Å; A713-T715 PolarHBondContact O-N 3.38Å
714	Q	25	Very low	27.1	Very low	181.667 Å²	181.667	138.4 Å²	138.4	85%	0.849	78%	0.782	S	S	*	*			trans	-74.5	125	146.6	-119.2	172.1	9.1	0	0	115.7	A712	A712-Q714 PolarHBondContact O-N 2.88Å; A712-Q714 VanDerWaalsContact O-N 3.09Å
715	T	26.2	Very low	27.6	Very low	128 Å²	128	137.7 Å²	137.7	79%	0.785	78%	0.78	S	S	*	*			trans	-94.9	142.7	157.2	-51.7	0	0	0	0	113.7	A713	A713-T715 PolarHBondContact O-N 3.38Å
716	Y	29.8	Very low	27.6	Very low	210.667 Å²	210.667	138.7 Å²	138.7	83%	0.826	78%	0.783	S	S	*	*			trans	-113.1	134.9	171.9	-101.8	-96.5	0	0	0	112.6
717	E	27.7	Very low	27.8	Very low	167.667 Å²	167.667	139 Å²	139	78%	0.783	79%	0.786	S	S	*	*			trans	-98	154.8	170.9	-95.8	-173.5	139.7	0	0	111.1
718	S	30.5	Very low	27.8	Very low	101.333 Å²	101.333	141.1 Å²	141.1	71%	0.709	78%	0.784	S	S	*	*			trans	154.5	147.4	131.3	23.7	0	0	0	0	115.5
719	I	29.4	Very low	27.9	Very low	159.667 Å²	159.667	139.9 Å²	139.9	82%	0.819	78%	0.783	S	S	*	*			trans	69.7	159.5	149	-23.7	177.8	0	0	0	113.5
720	P	33.7	Very low	28	Very low	115 Å²	115	135.1 Å²	135.1	75%	0.747	77%	0.773	S	S	*	*				-132.7	-172.4	-74.9	39.4	-19.9	0	0	0	118.1
721	V	25.5	Very low	28.2	Very low	122.667 Å²	122.667	137.2 Å²	137.2	74%	0.743	78%	0.775	S	S	*	*			trans	-24.7	146.4	172.7	-170.8	0	0	0	0	117.9	T723	V721-T723 WeakPolarHBondContact CG1-OG1 3.08Å
722	V	30.9	Very low	28.3	Very low	138.333 Å²	138.333	140.1 Å²	140.1	84%	0.838	77%	0.771	S	S	*	*			trans	-167.8	133.3	155.5	-171.4	0	0	0	0	112.5
723	T	28.9	Very low	28.4	Very low	105.667 Å²	105.667	140.5 Å²	140.5	65%	0.648	77%	0.768	S	S	*	*			trans	-171.8	119.3	-157.2	-51.1	0	0	0	0	116.4	V721	V721-T723 WeakPolarHBondContact CG1-OG1 3.08Å
724	V	26.4	Very low	28.6	Very low	127 Å²	127	141.7 Å²	141.7	77%	0.77	77%	0.77	S	S	*	*			trans	52.1	152.6	149.8	-116.2	0	0	0	0	118.2
725	P	32.7	Very low	28.6	Very low	120.333 Å²	120.333	141.2 Å²	141.2	78%	0.781	77%	0.768	S	S	*	*			cis	-135.4	164.6	30.9	41.3	-23.5	0	0	0	119.5
726	T	26.3	Very low	28.8	Very low	118.333 Å²	118.333	141.4 Å²	141.4	73%	0.726	77%	0.77	S	S	*	*			trans	-39.2	141.9	163.8	-35.4	0	0	0	0	116.9
727	M	28.3	Very low	28.7	Very low	181.333 Å²	181.333	138.3 Å²	138.3	89%	0.893	76%	0.762	S	S	*	*			trans	-137.9	150.4	150	-108.3	-65	151.9	0	0	111.3
728	Q	25.7	Very low	28.7	Very low	157 Å²	157	138 Å²	138	73%	0.734	76%	0.761	S	S	*	*			trans	-138.4	125.9	-161.5	178.1	-174	22.4	0	0	111.7	I730	Q728-I730 HydrophobicContact CG-CG1 4.41Å
729	T	27.9	Very low	28.6	Very low	119.667 Å²	119.667	140 Å²	140	73%	0.734	76%	0.762	S	S	*	*			trans	-171.3	103.8	168.7	-65.5	0	0	0	0	107.1	Y731	T729-Y731 HydrophobicContact CG2-CD2 4.28Å; T729-Y731 HydrophobicContact CG2-CE2 4.41Å
730	I	27.9	Very low	28.6	Very low	117.333 Å²	117.333	137 Å²	137	60%	0.602	76%	0.755	S	S	*	*				74.2	123.7	70.2	-61.5	168.4	0	0	0	112.8	Q728 H732	Q728-I730 HydrophobicContact CG-CG1 4.41Å; I730-H732 WeakPolarHBondContact CG2-NE2 3.46Å
731	Y	27.9	Very low	28.4	Very low	212.333 Å²	212.333	136.3 Å²	136.3	83%	0.833	75%	0.753	S	S	*	*			trans	-162.2	118.6	162.2	-78.9	-80.7	0	0	0	111.4	T729	T729-Y731 HydrophobicContact CG2-CD2 4.28Å; T729-Y731 HydrophobicContact CG2-CE2 4.41Å
732	H	29.8	Very low	28.5	Very low	162 Å²	162	138.8 Å²	138.8	75%	0.75	76%	0.757	S	S	*	*				37.7	141.1	124.4	-69.2	-70.1	0	0	0	116	I730	I730-H732 WeakPolarHBondContact CG2-NE2 3.46Å
733	S	27.4	Very low	28.4	Very low	107.667 Å²	107.667	137.8 Å²	137.8	75%	0.753	75%	0.751	S	S	*	*			cis	-155.5	133.1	-34.2	52.3	0	0	0	0	110.9
734	S	31.8	Very low	28.5	Very low	122.333 Å²	122.333	140.9 Å²	140.9	86%	0.855	76%	0.758	S	S	*	*			trans	-149.2	122.6	158.6	46.7	0	0	0	0	110.1
735	Q	26.2	Very low	28.5	Very low	171 Å²	171	139.4 Å²	139.4	80%	0.799	75%	0.753	S	S	*	*			trans	-153.5	124.2	158.1	-179.3	-176.9	22.3	0	0	111.4
736	T	29.6	Very low	28.3	Very low	133 Å²	133	141.5 Å²	141.5	82%	0.816	76%	0.757	S	S	*	*			trans	-151.9	123.6	151.7	-52.6	0	0	0	0	108
737	H	27.5	Very low	28.4	Very low	143.667 Å²	143.667	139.5 Å²	139.5	67%	0.665	76%	0.759	S	S	*	*			trans	42.2	135.9	142.8	-98.2	-126.2	0	0	0	113.6
738	E	28	Very low	28.3	Very low	162 Å²	162	137.7 Å²	137.7	76%	0.757	75%	0.753	S	S	*	*			cis	-162.9	151.4	41.5	-125.3	165.3	-131.9	0	0	109.9
739	I	28.7	Very low	28.5	Very low	144.333 Å²	144.333	139.2 Å²	139.2	74%	0.74	76%	0.757	S	S	*	*				94.8	147.6	77.7	-69.7	165.2	0	0	0	113.4
740	S	28.9	Very low	28.5	Very low	97 Å²	97	139.7 Å²	139.7	68%	0.678	76%	0.756	S	S	*	*			cis	-155	144.2	33.1	-160.2	0	0	0	0	116.1
741	S	30	Very low	28.5	Very low	100.333 Å²	100.333	142.2 Å²	142.2	70%	0.702	77%	0.765	S	S	*	*				151.3	142	113.6	47.3	0	0	0	0	115.2
742	Q	27.6	Very low	28.4	Very low	175 Å²	175	140.2 Å²	140.2	82%	0.818	76%	0.763	S	S	*	*				105.3	133.4	65.9	-74.9	-172.8	-6.4	0	0	114
743	T	28.5	Very low	28.1	Very low	115.667 Å²	115.667	138.8 Å²	138.8	71%	0.71	77%	0.766	S	S	*	*				101.3	140.8	67.3	-40.3	0	0	0	0	110.2
744	E	30.6	Very low	28.1	Very low	171 Å²	171	143.6 Å²	143.6	80%	0.799	77%	0.769	S	S	*	*			cis	-148	171.4	18.2	-119.9	171.4	-145	0	0	113.9
745	S	28	Very low	27.8	Very low	96.3333 Å²	96.3333	142.1 Å²	142.1	67%	0.674	76%	0.764	S	S	*	*			trans	60.5	138.7	151	79.6	0	0	0	0	118.1
746	L	27.6	Very low	27.8	Very low	164.333 Å²	164.333	142.7 Å²	142.7	86%	0.86	77%	0.766	S	S	*	*			trans	9.3	142.3	132.6	-90.1	157.4	0	0	0	114.3	L748	L746-L748 HydrophobicContact CD2-CD1 4.03Å
747	G	28.7	Very low	27.8	Very low	75.3333 Å²	75.3333	142.7 Å²	142.7	78%	0.777	76%	0.76	S	S	*	*			trans	-176.4	102.7	164.1	0	0	0	0	0	113
748	L	26.6	Very low	27.9	Very low	144.667 Å²	144.667	144.6 Å²	144.6	76%	0.757	77%	0.766	S	S	*	*			trans	-91.7	142.8	175	-95.4	103.2	0	0	0	110.9	L746	L746-L748 HydrophobicContact CD2-CD1 4.03Å
749	F	28.8	Very low	27.9	Very low	188.333 Å²	188.333	142.4 Å²	142.4	83%	0.826	77%	0.768	S	S	*	*			trans	162.8	135	144.6	-92.7	-75.2	0	0	0	115.5
750	D	28.3	Very low	28	Very low	131 Å²	131	143.9 Å²	143.9	70%	0.701	77%	0.77	S	S	*	*			trans	22.8	124.6	160.8	-73.5	-30.3	0	0	0	119.7
751	H	27.1	Very low	28.1	Very low	169.667 Å²	169.667	143.4 Å²	143.4	79%	0.785	76%	0.763	S	S	*	*			trans	103.2	126	136.6	-74.3	-52.7	0	0	0	117.8
752	Q	26.1	Very low	28.5	Very low	170 Å²	170	142.7 Å²	142.7	79%	0.794	75%	0.75	S	S	*	*			trans	-78.3	129.1	156.3	-79.9	173.1	-16.1	0	0	115.4	Y754	Q752-Y754 WeakPolarHBondContact O-CD2 3.38Å; Q752-Y754 PolarHBondContact O-N 3.33Å
753	T	23.4	Very low	29.6	Very low	132.333 Å²	132.333	138.2 Å²	138.2	81%	0.812	73%	0.732	S	S	*	*			trans	-94.6	114.9	167.5	-9.1	0	0	0	0	114.5
754	Y	27.6	Very low	30.7	Very low	207.667 Å²	207.667	135.5 Å²	135.5	81%	0.814	72%	0.715	S	S	*	*			trans	-79.6	114.6	167.7	-71.1	-83.1	0	0	0	113.5	Q752 H756	Q752-Y754 WeakPolarHBondContact O-CD2 3.38Å; Q752-Y754 PolarHBondContact O-N 3.33Å; Y754-H756 PolarHBondContact O-N 3.07Å
755	A	25.7	Very low	31.5	Very low	91.6667 Å²	91.6667	130.3 Å²	130.3	76%	0.758	69%	0.691	S	S	*	*			trans	-77.3	111	174.3	0	0	0	0	0	111.5	I757	A755-I757 HydrophobicContact CB-CG1 4.34Å; A755-I757 PolarHBondContact O-N 3.07Å; A755-I757 VanDerWaalsContact O-N 3.11Å
756	H	26.7	Very low	32.1	Very low	183.667 Å²	183.667	129.1 Å²	129.1	85%	0.85	68%	0.679	S	S	*	*			trans	-88.3	90.8	175.6	-165.6	114.8	0	0	0	110.2	Y754	Y754-H756 PolarHBondContact O-N 3.07Å
757	I	28.9	Very low	32.6	Very low	133 Å²	133	125.9 Å²	125.9	68%	0.682	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-85	123.3	-179.1	-58.2	177.4	0	0	0	109.7	A755 I831	A755-I757 HydrophobicContact CB-CG1 4.34Å; A755-I757 PolarHBondContact O-N 3.07Å; A755-I757 VanDerWaalsContact O-N 3.11Å; I757-I831 HydrophobicContact CD1-CD1 4.49Å
758	K	29.3	Very low	32.9	Very low	184 Å²	184	126.2 Å²	126.2	80%	0.8	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-67.4	141.2	173.2	-72	-174.5	175.1	-175.3	0	111.1
759	S	27.9	Very low	33.1	Very low	114.333 Å²	114.333	121.1 Å²	121.1	80%	0.8	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-56.3	143.8	167.1	-52.8	0	0	0	0	111.2
760	K	32.4	Very low	33.5	Very low	176.333 Å²	176.333	117.4 Å²	117.4	77%	0.767	62%	0.621	S	S	*	*			trans	-113.3	105.7	174	-170.4	-176	-178.3	-169.1	0	108.5
761	T	31.1	Very low	33.7	Very low	86 Å²	86	116.4 Å²	116.4	53%	0.528	61%	0.614	S	S	.	*			trans	-71.6	155.8	168.4	20.6	0	0	0	0	110.6	D763	T761-D763 VanDerWaalsContact CB-OD1 3.27Å; T761-D763 WeakPolarHBondContact CB-OD1 3.41Å; T761-D763 VanDerWaalsContact CG2-OD1 3.3Å; T761-D763 WeakPolarHBondContact CG2-OD1 3.36Å
762	I	38.3	Very low	33.8	Very low	86.6667 Å²	86.6667	112 Å²	112	44%	0.444	60%	0.601	S	S	.	*			trans	-134.7	106.7	168.6	-60.5	177	0	0	0	104.7	V764 M837	I762-V764 VanDerWaalsContact C-N 3.3Å; I762-V764 WeakPolarHBondContact CG2-O 3.28Å; I762-V764 PolarHBondContact O-N 3.46Å; I762-M837 WeakPolarHBondContact O-CA 3.49Å
763	D	50.2	Low	34.2	Very low	79.3333 Å²	79.3333	110.3 Å²	110.3	42%	0.424	59%	0.592	S	S	.	*			trans	-83.4	-22.2	-163.7	-49.6	-62.3	0	0	0	112.4	T761 N838 V839	T761-D763 VanDerWaalsContact CB-OD1 3.27Å; T761-D763 WeakPolarHBondContact CB-OD1 3.41Å; T761-D763 VanDerWaalsContact CG2-OD1 3.3Å; T761-D763 WeakPolarHBondContact CG2-OD1 3.36Å; D763-N838 PolarHBondContact O-N 3.03Å; D763-V839 PolarHBondContact O-N 2.92Å; D763-V839 VanDerWaalsContact O-N 3.07Å
764	V	50.8	Low	34.5	Very low	60 Å²	60	107.9 Å²	107.9	36%	0.364	58%	0.58	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-135.9	136.7	-178.6	-171.8	0	0	0	0	111.6	V587 T589 A658 I762 V839	V587-V764 HydrophobicContact CB-CG2 4.19Å; V587-V764 HydrophobicContact CG1-CG2 3.52Å; V587-V764 HydrophobicContact CG2-CG2 3.61Å; T589-V764 HydrophobicContact CG2-CG1 3.78Å; A658-V764 HydrophobicContact CB-CG2 4.49Å; I762-V764 VanDerWaalsContact C-N 3.3Å; I762-V764 WeakPolarHBondContact CG2-O 3.28Å; I762-V764 PolarHBondContact O-N 3.46Å; V764-V839 WeakPolarHBondContact CA-O 3.33Å; V764-V839 HydrophobicContact CG1-CB 4.47Å; V764-V839 HydrophobicContact CG2-CB 4.33Å; V764-V839 HydrophobicContact CG2-CG2 4.5Å
765	E	47.4	Very low	34.6	Very low	61.3333 Å²	61.3333	105.1 Å²	105.1	29%	0.287	57%	0.574	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-125.4	133	164.2	-172.1	-171.7	-169.7	0	0	111.2	Q767 M837 V839 Q840 T841	E765-Q767 PolarHBondContact OE1-NE2 3.18Å; E765-M837 HydrophobicContact CB-CE 4.18Å; E765-M837 HydrophobicContact CB-SD 4.28Å; E765-M837 WeakPolarHBondContact OE2-CE 3.46Å; E765-V839 PolarHBondContact N-O 2.93Å; E765-V839 VanDerWaalsContact N-O 3.08Å; E765-Q840 HydrophobicContact CB-CG 4.49Å; E765-Q840 WeakPolarHBondContact O-CA 3.23Å; E765-Q840 PolarHBondContact OE2-NE2 2.9Å; E765-T841 PolarHBondContact O-N 2.9Å
766	T	40.8	Very low	34.6	Very low	71.6667 Å²	71.6667	104.2 Å²	104.2	44%	0.44	57%	0.574	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-127	131.8	178.3	-50.4	0	0	0	0	111.2	F662 T841	F662-T766 HydrophobicContact CE2-CG2 4.44Å; T766-T841 WeakPolarHBondContact CA-O 3.4Å; T766-T841 HydrophobicContact CG2-CG2 4.35Å
767	Q	38.5	Very low	34.8	Very low	96.6667 Å²	96.6667	103 Å²	103	45%	0.452	57%	0.573	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-130.1	141	176.4	-58.5	-174.2	7.8	0	0	111.4	E765 T841 Q842 S843	E765-Q767 PolarHBondContact OE1-NE2 3.18Å; Q767-T841 PolarHBondContact N-O 3.11Å; Q767-Q842 HydrophobicContact CB-CG 4.45Å; Q767-Q842 CarbonylContact O-C 3.58Å; Q767-Q842 VanDerWaalsContact O-CA 3.31Å; Q767-Q842 WeakPolarHBondContact O-CA 3.34Å; Q767-S843 PolarHBondContact O-N 3.01Å
768	S	34.3	Very low	34.6	Very low	81.3333 Å²	81.3333	105.1 Å²	105.1	57%	0.569	58%	0.58	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-145.5	148.4	-177.7	-175.1	0	0	0	0	112.5	S843	S768-S843 WeakPolarHBondContact CA-O 3.45Å
769	G	31.4	Very low	34.6	Very low	39 Å²	39	102.6 Å²	102.6	40%	0.402	58%	0.58	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-164.4	154.1	179.1	0	0	0	0	0	115.9	S843 G844 I845	G769-S843 PolarHBondContact N-O 3.05Å; G769-G844 CarbonylContact O-C 3.49Å; G769-G844 WeakPolarHBondContact O-CA 3.3Å; G769-I845 PolarHBondContact O-N 3.05Å
770	I	37.7	Very low	34.5	Very low	110.333 Å²	110.333	105.2 Å²	105.2	57%	0.566	58%	0.577	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-125.1	135.3	-179.7	-55.5	172.9	0	0	0	109.6	V664 I845	V664-I770 HydrophobicContact CB-CD1 4.32Å; V664-I770 HydrophobicContact CG1-CD1 3.64Å; V664-I770 HydrophobicContact CG1-CG1 4.35Å; V664-I770 HydrophobicContact CG2-CD1 3.67Å; V664-I770 HydrophobicContact CG2-CG1 4.08Å; I770-I845 CarbonylContact C-O 3.44Å; I770-I845 WeakPolarHBondContact CA-O 3.41Å; I770-I845 HydrophobicContact CD1-CD1 4.3Å; I770-I845 HydrophobicContact CG1-CB 4.22Å; I770-I845 HydrophobicContact CG1-CD1 4.33Å; I770-I845 HydrophobicContact CG1-CG1 4.46Å; I770-I845 HydrophobicContact CG2-CB 4.38Å; I770-I845 HydrophobicContact CG2-CG2 4.48Å
771	I	32.2	Very low	34.3	Very low	108.667 Å²	108.667	104.1 Å²	104.1	56%	0.557	58%	0.579	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-127.3	107.8	176	-54.1	178.5	0	0	0	109.6	I845 I846 Q847	I771-I845 PolarHBondContact N-O 3.2Å; I771-I846 CarbonylContact O-C 3.57Å; I771-I846 WeakPolarHBondContact O-CA 2.92Å; I771-Q847 PolarHBondContact O-N 2.98Å
772	C	29.8	Very low	34.1	Very low	77 Å²	77	106.1 Å²	106.1	52%	0.52	59%	0.586	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.1	134.5	175	-86.8	0	0	0	0	110.7	Q847	C772-Q847 CarbonylContact C-O 3.5Å; C772-Q847 WeakPolarHBondContact CA-O 3.41Å; C772-Q847 HydrophobicContact CB-CB 4.41Å; C772-Q847 PolarHBondContact SG-OE1 2.84Å
773	K	34.2	Very low	33.7	Very low	135.667 Å²	135.667	110.1 Å²	110.1	59%	0.59	60%	0.603	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-136.6	114.4	173.8	-144.4	-175.4	178.1	-175.4	0	111.3	Q847 K848 E849	K773-Q847 PolarHBondContact N-O 3.02Å; K773-K848 WeakPolarHBondContact O-CA 3.38Å; K773-E849 PolarHBondContact O-N 3.03Å
774	S	30.2	Very low	32.6	Very low	82 Å²	82	115.6 Å²	115.6	57%	0.573	62%	0.623	S	S	*	*			trans	-123.8	143.5	175.6	58.2	0	0	0	0	111.7	E849	S774-E849 WeakPolarHBondContact CB-OE2 3.35Å
775	Q	28.8	Very low	31.7	Very low	148 Å²	148	118.2 Å²	118.2	69%	0.692	64%	0.641	S	S	*	*			trans	-138.8	109.3	173.4	-70.8	-174.1	-62.8	0	0	110.3	E849 G851	Q775-E849 PolarHBondContact N-O 2.89Å; Q775-G851 PolarHBondContact O-N 2.97Å
776	G	27	Very low	30.8	Very low	72.6667 Å²	72.6667	124.6 Å²	124.6	75%	0.749	67%	0.668	S	S	*	*			trans	-129.6	140.7	178.2	0	0	0	0	0	113.1
777	L	28.9	Very low	30.2	Very low	158.667 Å²	158.667	124.4 Å²	124.4	83%	0.831	68%	0.681	S	S	*	*			trans	-102.7	124.5	176.2	-92.5	167.8	0	0	0	114.1
778	Q	25.3	Very low	29.8	Very low	177.333 Å²	177.333	127.7 Å²	127.7	83%	0.829	70%	0.698	S	S	*	*			trans	-125.8	114.5	164	-174.1	176.2	61.2	0	0	110.2	K780 Q853	Q778-K780 PolarHBondContact O-N 2.72Å; Q778-K780 VanDerWaalsContact O-N 3.09Å; Q778-Q853 VanDerWaalsContact NE2-OE1 3.11Å
779	T	29.6	Very low	29.6	Very low	131 Å²	131	130 Å²	130	80%	0.804	71%	0.709	S	S	*	*			trans	-98.2	117.1	178.5	-14.2	0	0	0	0	111.2	L781	T779-L781 PolarHBondContact O-N 3.04Å
780	K	26.9	Very low	29.6	Very low	169 Å²	169	136.1 Å²	136.1	74%	0.735	72%	0.724	S	S	*	*			trans	-97.7	121.7	178.3	-171.4	-179.2	-177.5	-137.3	0	110.6	Q778 D782	Q778-K780 PolarHBondContact O-N 2.72Å; Q778-K780 VanDerWaalsContact O-N 3.09Å; K780-D782 VanDerWaalsContact CE-OD1 3.3Å; K780-D782 WeakPolarHBondContact CE-OD1 3.36Å; K780-D782 WeakPolarHBondContact CE-OD2 3.41Å; K780-D782 IonicContact NZ-OD1 2.65Å; K780-D782 PolarHBondContact NZ-OD1 2.81Å; K780-D782 IonicContact NZ-OD2 3.25Å; K780-D782 PolarHBondContact NZ-OD2 3.07Å; K780-D782 PolarHBondContact O-N 3.33Å
781	L	27.7	Very low	29.2	Very low	153.333 Å²	153.333	138 Å²	138	80%	0.803	73%	0.731	S	S	*	*			trans	-111.8	102.1	177.7	-171	72.8	0	0	0	110.8	T779 H783	T779-L781 PolarHBondContact O-N 3.04Å; L781-H783 PolarHBondContact O-N 3.24Å
782	D	27.1	Very low	29.1	Very low	127.667 Å²	127.667	140 Å²	140	68%	0.683	74%	0.742	S	S	*	*			trans	-74.2	124.4	176.1	-77.3	-45.5	0	0	0	111.9	K780 K784	K780-D782 VanDerWaalsContact CE-OD1 3.3Å; K780-D782 WeakPolarHBondContact CE-OD1 3.36Å; K780-D782 WeakPolarHBondContact CE-OD2 3.41Å; K780-D782 IonicContact NZ-OD1 2.65Å; K780-D782 PolarHBondContact NZ-OD1 2.81Å; K780-D782 IonicContact NZ-OD2 3.25Å; K780-D782 PolarHBondContact NZ-OD2 3.07Å; K780-D782 PolarHBondContact O-N 3.33Å; D782-K784 PolarHBondContact O-N 2.91Å
783	H	30.1	Very low	29.1	Very low	172 Å²	172	141.7 Å²	141.7	80%	0.796	76%	0.755	S	S	*	*			trans	-100.1	136.3	163.4	-86.3	-5.6	0	0	0	111.2	L781	L781-H783 PolarHBondContact O-N 3.24Å
784	K	26.5	Very low	28.8	Very low	194.333 Å²	194.333	141.1 Å²	141.1	85%	0.845	76%	0.763	S	S	*	*			trans	-113.1	132.1	-175.1	-157.2	176.4	-177.2	176.1	0	109.8	D782 F786	D782-K784 PolarHBondContact O-N 2.91Å; K784-F786 PolarHBondContact O-N 3.1Å
785	P	31.8	Very low	28.6	Very low	114 Å²	114	145.6 Å²	145.6	74%	0.74	78%	0.775	S	S	*	*			trans	-91.6	152.1	-176.6	18.1	-10.1	0	0	0	113.5
786	F	28	Very low	28.3	Very low	196.667 Å²	196.667	148.5 Å²	148.5	86%	0.863	78%	0.781	S	S	*	*			trans	-80.6	131.3	170.7	-111.1	-88.8	0	0	0	113.6	K784 M788	K784-F786 PolarHBondContact O-N 3.1Å; F786-M788 HydrophobicContact CE1-CE 4.41Å
787	G	28.8	Very low	28.4	Very low	68 Å²	68	153.5 Å²	153.5	70%	0.701	79%	0.785	S	S	*	*			trans	-148.8	129.5	-179.8	0	0	0	0	0	112.8
788	M	30.7	Very low	28.3	Very low	166 Å²	166	150.2 Å²	150.2	82%	0.818	78%	0.781	S	S	*	*			trans	-106.7	137.2	172.2	-77.2	-128.9	154.6	0	0	116.1	F786	F786-M788 HydrophobicContact CE1-CE 4.41Å
789	T	30	Very low	28.4	Very low	128 Å²	128	148.3 Å²	148.3	79%	0.785	78%	0.781	S	S	*	*			trans	56.9	137.1	157.7	44.9	0	0	0	0	118.9
790	K	30.6	Very low	28.3	Very low	168 Å²	168	149.3 Å²	149.3	73%	0.73	78%	0.777	S	S	*	*			trans	-91.3	132.2	150.8	-90	175.9	173.9	-116.8	0	115.3
791	E	28.8	Very low	28.3	Very low	150 Å²	150	151.5 Å²	151.5	70%	0.701	78%	0.78	S	S	*	*				99.6	132.3	123.2	-90.1	159.3	-161.3	0	0	118.3
792	N	31	Very low	28.3	Very low	149.667 Å²	149.667	154.4 Å²	154.4	80%	0.8	78%	0.78	S	S	*	*			trans	-173.4	113.7	145.8	-68.9	-28.7	0	0	0	116.1
793	S	28.9	Very low	28.3	Very low	114 Å²	114	156.5 Å²	156.5	80%	0.797	79%	0.788	S	S	*	*				100.2	145.3	129	-132.3	0	0	0	0	119.7
794	T	27.6	Very low	28.3	Very low	122 Å²	122	154.9 Å²	154.9	75%	0.748	78%	0.784	S	S	*	*			trans	-18.5	128.7	168.4	36	0	0	0	0	118.5
795	Q	25.9	Very low	28.3	Very low	177.667 Å²	177.667	152 Å²	152	83%	0.83	78%	0.778	S	S	*	*				177.8	156.6	122.6	-81.8	-155	11	0	0	115.1
796	Y	24.1	Very low	28.2	Very low	209 Å²	209	153.1 Å²	153.1	82%	0.82	78%	0.776	S	S	*	*			trans	-119.3	140.1	153	-114.5	-98.7	0	0	0	115.1
797	E	27.5	Very low	28	Very low	177 Å²	177	149.9 Å²	149.9	83%	0.827	77%	0.768	S	S	*	*			trans	79.4	163.9	135.8	-160.6	158.2	-142.7	0	0	116.5
798	A	26.4	Very low	28	Very low	89 Å²	89	153.6 Å²	153.6	74%	0.736	77%	0.77	S	S	*	*			trans	-101.8	147	-175.1	0	0	0	0	0	116
799	V	28.7	Very low	27.6	Very low	138.667 Å²	138.667	154.2 Å²	154.2	84%	0.84	77%	0.771	S	S	*	*			trans	111	126.9	158	178.2	0	0	0	0	115.6
800	Q	26.9	Very low	27.4	Very low	152.333 Å²	152.333	152.6 Å²	152.6	71%	0.712	77%	0.771	S	S	*	*			trans	-177.5	131.3	-177.4	-174.4	176.9	77.6	0	0	113.9	R802	Q800-R802 HydrophobicContact CG-CG 4.36Å
801	R	27.1	Very low	27.1	Very low	214.75 Å²	214.75	150.3 Å²	150.3	81%	0.81	77%	0.766	S	S	*	*			trans	169.1	116.4	148.5	-83.1	171.4	-156.4	-133.7	1.7	112.8
802	R	28.4	Very low	27	Very low	213.5 Å²	213.5	147.4 Å²	147.4	81%	0.806	77%	0.768	S	S	*	*			trans	-130.5	132.4	153.6	-109.1	-179.5	-98.2	-178.4	-0.3	110.9	Q800 I804	Q800-R802 HydrophobicContact CG-CG 4.36Å; R802-I804 PolarHBondContact O-N 3.19Å
803	M	26.1	Very low	26.7	Very low	171.25 Å²	171.25	149.9 Å²	149.9	84%	0.844	77%	0.766	S	S	*	*			trans	-95.6	123.9	158.1	-92.9	178.5	-73.2	0	0	110.9	N805	M803-N805 PolarHBondContact O-N 3.13Å; M803-N805 VanDerWaalsContact O-N 3.15Å
804	I	30.1	Very low	26.6	Very low	140 Å²	140	153 Å²	153	72%	0.718	77%	0.768	S	S	*	*			trans	-81.8	104.5	158.1	-55.4	173.6	0	0	0	108.2	R802 I806	R802-I804 PolarHBondContact O-N 3.19Å; I804-I806 HydrophobicContact CG2-CD1 4.27Å; I804-I806 HydrophobicContact CG2-CG1 3.69Å; I804-I806 PolarHBondContact O-N 2.92Å
805	N	26.3	Very low	26.5	Very low	132.5 Å²	132.5	151.8 Å²	151.8	71%	0.709	77%	0.77	S	S	*	*			trans	-48.5	127.1	132.2	-109	12.7	0	0	0	109.1	M803 D807	M803-N805 PolarHBondContact O-N 3.13Å; M803-N805 VanDerWaalsContact O-N 3.15Å; N805-D807 WeakPolarHBondContact CB-OD2 3.4Å; N805-D807 PolarHBondContact ND2-OD2 2.98Å; N805-D807 PolarHBondContact O-N 2.99Å
806	I	29.3	Very low	26.7	Very low	136.5 Å²	136.5	149.3 Å²	149.3	70%	0.7	77%	0.767	S	S	*	*			trans	-112.7	97.6	162.1	-54.2	-178.7	0	0	0	107.5	I804 I808	I804-I806 HydrophobicContact CG2-CD1 4.27Å; I804-I806 HydrophobicContact CG2-CG1 3.69Å; I804-I806 PolarHBondContact O-N 2.92Å; I806-I808 HydrophobicContact CG2-CD1 4.35Å; I806-I808 HydrophobicContact CG2-CG1 3.86Å; I806-I808 PolarHBondContact O-N 3.24Å
807	D	25	Very low	26.8	Very low	131 Å²	131	143.3 Å²	143.3	70%	0.701	76%	0.76	S	S	*	*			trans	-84.1	123.5	148.1	-81.2	-51.8	0	0	0	109.6	N805 Q809	N805-D807 WeakPolarHBondContact CB-OD2 3.4Å; N805-D807 PolarHBondContact ND2-OD2 2.98Å; N805-D807 PolarHBondContact O-N 2.99Å; D807-Q809 PolarHBondContact O-N 3.03Å
808	I	27.7	Very low	26.7	Very low	144 Å²	144	145 Å²	145	74%	0.738	76%	0.761	S	S	*	*			trans	-86.5	88.7	157.7	-56.9	179.3	0	0	0	110.4	I806 A810	I806-I808 HydrophobicContact CG2-CD1 4.35Å; I806-I808 HydrophobicContact CG2-CG1 3.86Å; I806-I808 PolarHBondContact O-N 3.24Å; I808-A810 PolarHBondContact O-N 3.14Å
809	Q	23.8	Very low	26.7	Very low	179.5 Å²	179.5	151.2 Å²	151.2	84%	0.839	77%	0.765	S	S	*	*			trans	-26.2	104.7	133.7	-174.6	178.8	42	0	0	111.8	D807 D811	D807-Q809 PolarHBondContact O-N 3.03Å; Q809-D811 PolarHBondContact O-N 3.49Å
810	A	25.6	Very low	26.6	Very low	95 Å²	95	154.5 Å²	154.5	79%	0.785	76%	0.764	S	S	*	*			trans	-114.5	107.2	162.9	0	0	0	0	0	109.8	I808 A812	I808-A810 PolarHBondContact O-N 3.14Å; A810-A812 PolarHBondContact O-N 3.01Å; A810-A812 VanDerWaalsContact O-N 3.1Å
811	D	24.2	Very low	26.6	Very low	118.5 Å²	118.5	153.2 Å²	153.2	63%	0.634	77%	0.766	S	S	*	*			trans	-71.3	127.5	-179	-173.5	20.8	0	0	0	111.1	Q809 R813	Q809-D811 PolarHBondContact O-N 3.49Å; D811-R813 PolarHBondContact O-N 3Å; D811-R813 VanDerWaalsContact O-N 3.11Å; D811-R813 WeakPolarHBondContact OD1-CG 3.45Å; D811-R813 IonicContact OD1-CZ 3.2Å; D811-R813 IonicContact OD1-NE 3.19Å; D811-R813 PolarHBondContact OD1-NE 3.41Å; D811-R813 IonicContact OD1-NH2 2.7Å; D811-R813 WeakPolarHBondContact OD2-CD 3.41Å; D811-R813 WeakPolarHBondContact OD2-CG 3.49Å; D811-R813 IonicContact OD2-CZ 2.99Å; D811-R813 IonicContact OD2-NE 3.36Å; D811-R813 PolarHBondContact OD2-NE 3.12Å; D811-R813 IonicContact OD2-NH2 2.71Å
812	A	26.4	Very low	26.5	Very low	89.5 Å²	89.5	151.1 Å²	151.1	74%	0.74	77%	0.765	S	S	*	*			trans	-81.1	71	176.4	0	0	0	0	0	113.2	A810 H814	A810-A812 PolarHBondContact O-N 3.01Å; A810-A812 VanDerWaalsContact O-N 3.1Å; A812-H814 PolarHBondContact O-N 3.09Å
813	R	24.2	Very low	26.6	Very low	201.5 Å²	201.5	146.9 Å²	146.9	76%	0.76	76%	0.764	S	S	*	*			trans	-94.5	114.9	165.1	-60.8	-175	-167.6	-145.8	-2.2	113.4	D811	D811-R813 PolarHBondContact O-N 3Å; D811-R813 VanDerWaalsContact O-N 3.11Å; D811-R813 WeakPolarHBondContact OD1-CG 3.45Å; D811-R813 IonicContact OD1-CZ 3.2Å; D811-R813 IonicContact OD1-NE 3.19Å; D811-R813 PolarHBondContact OD1-NE 3.41Å; D811-R813 IonicContact OD1-NH2 2.7Å; D811-R813 WeakPolarHBondContact OD2-CD 3.41Å; D811-R813 WeakPolarHBondContact OD2-CG 3.49Å; D811-R813 IonicContact OD2-CZ 2.99Å; D811-R813 IonicContact OD2-NE 3.36Å; D811-R813 PolarHBondContact OD2-NE 3.12Å; D811-R813 IonicContact OD2-NH2 2.71Å
814	H	27.4	Very low	26.6	Very low	179.25 Å²	179.25	144.7 Å²	144.7	83%	0.83	76%	0.755	S	S	*	*			trans	-163.7	104.7	154	-80.2	91	0	0	0	112.1	A812 V816	A812-H814 PolarHBondContact O-N 3.09Å; H814-V816 PolarHBondContact O-N 3Å
815	A	26.4	Very low	26.5	Very low	96.75 Å²	96.75	146.1 Å²	146.1	80%	0.8	76%	0.759	S	S	*	*			trans	-89.8	126.9	159.5	0	0	0	0	0	108.7	A817	A815-A817 VanDerWaalsContact C-N 3.27Å; A815-A817 PolarHBondContact O-N 3.17Å; A815-A817 VanDerWaalsContact O-N 3.08Å
816	V	28.7	Very low	26.5	Very low	126.75 Å²	126.75	144.3 Å²	144.3	77%	0.768	76%	0.757	S	S	*	*			trans	-96.9	86	168.5	-177.3	0	0	0	0	108.1	H814 Y818	H814-V816 PolarHBondContact O-N 3Å; V816-Y818 HydrophobicContact CG1-CE2 4.33Å; V816-Y818 PolarHBondContact O-N 2.93Å
817	A	26.4	Very low	26.4	Very low	81.25 Å²	81.25	146.1 Å²	146.1	67%	0.671	76%	0.762	S	S	*	*			trans	-79.3	118.9	172.3	0	0	0	0	0	109.9	A815 R819	A815-A817 VanDerWaalsContact C-N 3.27Å; A815-A817 PolarHBondContact O-N 3.17Å; A815-A817 VanDerWaalsContact O-N 3.08Å; A817-R819 VanDerWaalsContact C-N 3.35Å; A817-R819 PolarHBondContact O-N 3.11Å; A817-R819 VanDerWaalsContact O-N 3.11Å
818	Y	26	Very low	26.4	Very low	212.5 Å²	212.5	146.4 Å²	146.4	83%	0.833	76%	0.763	S	S	*	*			trans	-71	109.6	163.1	-79.5	-88.8	0	0	0	109.2	V816 Y820	V816-Y818 HydrophobicContact CG1-CE2 4.33Å; V816-Y818 PolarHBondContact O-N 2.93Å; Y818-Y820 VanDerWaalsContact C-N 3.3Å; Y818-Y820 PolarHBondContact O-N 2.86Å; Y818-Y820 VanDerWaalsContact O-N 3.17Å
819	R	25.7	Very low	26.4	Very low	219.5 Å²	219.5	145.8 Å²	145.8	83%	0.828	76%	0.76	S	S	*	*			trans	-88.4	109.6	174.9	-94.2	-169.2	-85.3	-171	0.1	110.6	A817 V821	A817-R819 VanDerWaalsContact C-N 3.35Å; A817-R819 PolarHBondContact O-N 3.11Å; A817-R819 VanDerWaalsContact O-N 3.11Å; R819-V821 PolarHBondContact O-N 2.86Å
820	Y	26.8	Very low	26.5	Very low	208.5 Å²	208.5	145.9 Å²	145.9	82%	0.818	76%	0.76	S	S	*	*			trans	-50.6	132.3	148.3	-84.8	-90.9	0	0	0	110.9	Y818 Q822	Y818-Y820 VanDerWaalsContact C-N 3.3Å; Y818-Y820 PolarHBondContact O-N 2.86Å; Y818-Y820 VanDerWaalsContact O-N 3.17Å; Y820-Q822 PolarHBondContact O-N 3Å; Y820-Q822 VanDerWaalsContact O-N 3.16Å
821	V	27.5	Very low	26.7	Very low	125.25 Å²	125.25	147.3 Å²	147.3	76%	0.759	75%	0.753	S	S	*	*			trans	-93.4	102.9	172.3	-178.9	0	0	0	0	109.2	R819 T823	R819-V821 PolarHBondContact O-N 2.86Å; V821-T823 PolarHBondContact O-N 3.1Å
822	Q	24.4	Very low	26.9	Very low	170.25 Å²	170.25	151 Å²	151	80%	0.796	76%	0.763	S	S	*	*			trans	-67.1	111	163.5	177.9	177.2	-17.2	0	0	108.4	Y820 D824	Y820-Q822 PolarHBondContact O-N 3Å; Y820-Q822 VanDerWaalsContact O-N 3.16Å; Q822-D824 PolarHBondContact O-N 3.34Å
823	T	29.8	Very low	27.1	Very low	124.75 Å²	124.75	152.4 Å²	152.4	77%	0.765	76%	0.755	S	S	*	*			trans	-106.3	118.9	167.2	-40.6	0	0	0	0	108.4	V821 E825	V821-T823 PolarHBondContact O-N 3.1Å; T823-E825 PolarHBondContact O-N 3.08Å
824	D	27.6	Very low	27.5	Very low	125.5 Å²	125.5	149.8 Å²	149.8	67%	0.671	75%	0.749	S	S	*	*			trans	-84.2	131.8	-174.2	-152.5	-6.6	0	0	0	112.4	Q822 S826	Q822-D824 PolarHBondContact O-N 3.34Å; D824-S826 WeakPolarHBondContact OD1-CB 3.49Å; D824-S826 PolarHBondContact OD1-N 3.07Å; D824-S826 PolarHBondContact OD1-OG 3.35Å
825	E	26.8	Very low	28.1	Very low	170.75 Å²	170.75	146.6 Å²	146.6	80%	0.798	73%	0.734	S	S	*	*			trans	120.9	108.6	155.5	-78.5	-167.7	163.7	0	0	115.4	T823 Q827	T823-E825 PolarHBondContact O-N 3.08Å; E825-Q827 VanDerWaalsContact C-N 3.32Å; E825-Q827 PolarHBondContact O-N 3.14Å
826	S	26.7	Very low	28.7	Very low	94.75 Å²	94.75	146.3 Å²	146.3	66%	0.663	72%	0.716	S	S	*	*			trans	-105.1	109.9	155.9	-39.2	0	0	0	0	115.1	D824	D824-S826 WeakPolarHBondContact OD1-CB 3.49Å; D824-S826 PolarHBondContact OD1-N 3.07Å; D824-S826 PolarHBondContact OD1-OG 3.35Å
827	Q	28.1	Very low	29.7	Very low	174.25 Å²	174.25	142.4 Å²	142.4	81%	0.814	69%	0.69	S	S	*	*			trans	128	97.8	145.2	-68.3	174.4	79	0	0	115	E825 I829	E825-Q827 VanDerWaalsContact C-N 3.32Å; E825-Q827 PolarHBondContact O-N 3.14Å; Q827-I829 PolarHBondContact O-N 3.07Å
828	L	24.4	Very low	31	Very low	135.5 Å²	135.5	141.4 Å²	141.4	71%	0.709	67%	0.674	S	S	*	*			trans	19	99.9	130.7	-125.7	109.3	0	0	0	115	H830	L828-H830 PolarHBondContact O-N 3.31Å
829	I	28.1	Very low	32.4	Very low	131.75 Å²	131.75	132.5 Å²	132.5	68%	0.676	64%	0.641	S	S	*	*			trans	-124.5	104.2	147.7	-49.1	179.8	0	0	0	110.9	Q827 I831	Q827-I829 PolarHBondContact O-N 3.07Å; I829-I831 HydrophobicContact CG2-CD1 4.01Å; I829-I831 HydrophobicContact CG2-CG1 3.93Å; I829-I831 PolarHBondContact O-N 3.24Å
830	H	26.3	Very low	33.9	Very low	182.5 Å²	182.5	123.3 Å²	123.3	85%	0.845	61%	0.608	S	S	*	*			trans	-78.1	115.8	175	-74.3	110.8	0	0	0	111.3	L828	L828-H830 PolarHBondContact O-N 3.31Å
831	I	28.9	Very low	35	Very low	124.75 Å²	124.75	114.9 Å²	114.9	64%	0.64	58%	0.578	S	S	*	*			trans	-130.4	127.8	176.2	-52.7	179.8	0	0	0	110.3	I757 I829 Q833	I757-I831 HydrophobicContact CD1-CD1 4.49Å; I829-I831 HydrophobicContact CG2-CD1 4.01Å; I829-I831 HydrophobicContact CG2-CG1 3.93Å; I829-I831 PolarHBondContact O-N 3.24Å; I831-Q833 VanDerWaalsContact C-N 3.29Å; I831-Q833 HydrophobicContact CG2-CG 4.28Å; I831-Q833 PolarHBondContact O-N 2.95Å; I831-Q833 VanDerWaalsContact O-N 3.09Å
832	K	28.6	Very low	36	Very low	195 Å²	195	112.5 Å²	112.5	85%	0.848	56%	0.559	S	S	*	*			trans	-78.8	96.5	171	-69.9	-173.5	178.1	-175.4	0	110.4	K834 P906 T907	K832-K834 PolarHBondContact O-N 2.77Å; K832-P906 PolarHBondContact NZ-O 2.67Å; K832-T907 PolarHBondContact NZ-O 3.27Å
833	Q	30	Very low	36.9	Very low	119.5 Å²	119.5	106.5 Å²	106.5	56%	0.558	54%	0.536	S	S	*	.			trans	-86.9	128.2	172	-102	176.3	-33.9	0	0	111.7	I831 H835	I831-Q833 VanDerWaalsContact C-N 3.29Å; I831-Q833 HydrophobicContact CG2-CG 4.28Å; I831-Q833 PolarHBondContact O-N 2.95Å; I831-Q833 VanDerWaalsContact O-N 3.09Å; Q833-H835 PolarHBondContact O-CE1 2.94Å; Q833-H835 PolarHBondContact O-N 2.92Å; Q833-H835 VanDerWaalsContact O-N 3.14Å; Q833-H835 PolarHBondContact O-ND1 3.08Å
834	K	32.3	Very low	37.5	Very low	146.5 Å²	146.5	101.5 Å²	101.5	64%	0.637	51%	0.508	S	S	*	.			trans	-83	116.6	177.2	-175.2	-143.8	179.2	-168.7	0	109.6	K832 Q836	K832-K834 PolarHBondContact O-N 2.77Å; K834-Q836 VanDerWaalsContact CE-OE1 3.31Å
835	H	40.4	Very low	38.3	Very low	112.5 Å²	112.5	97.2 Å²	97.2	52%	0.521	49%	0.485	S	S	.	.			trans	-96.6	150.6	170.6	-67.7	80	0	0	0	109.5	Q833	Q833-H835 PolarHBondContact O-CE1 2.94Å; Q833-H835 PolarHBondContact O-N 2.92Å; Q833-H835 VanDerWaalsContact O-N 3.14Å; Q833-H835 PolarHBondContact O-ND1 3.08Å
836	Q	38.5	Very low	39.4	Very low	89.75 Å²	89.75	91.9 Å²	91.9	42%	0.419	46%	0.462	S	S	.	.			trans	-146.1	137.8	175	-136.6	170.9	-40.7	0	0	106.4	K834	K834-Q836 VanDerWaalsContact CE-OE1 3.31Å
837	M	49.6	Very low	40.3	Very low	46.25 Å²	46.25	90.4 Å²	90.4	23%	0.228	44%	0.444	C	S	.	.			trans	-135.7	139.2	-176.8	-62.2	170	112.3	0	0	107.3	I762 E765 F913	I762-M837 WeakPolarHBondContact O-CA 3.49Å; E765-M837 HydrophobicContact CB-CE 4.18Å; E765-M837 HydrophobicContact CB-SD 4.28Å; E765-M837 WeakPolarHBondContact OE2-CE 3.46Å; M837-F913 HydrophobicContact CB-CD1 4.05Å; M837-F913 HydrophobicContact CB-CE1 4.08Å; M837-F913 HydrophobicContact CE-CE1 4.05Å; M837-F913 HydrophobicContact CE-CZ 4Å; M837-F913 HydrophobicContact CG-CE1 4.45Å; M837-F913 WeakPolarHBondContact O-CA 3.5Å; M837-F913 HydrophobicContact SD-CE1 4.02Å; M837-F913 HydrophobicContact SD-CZ 4.14Å
838	N	55.2	Low	41.3	Very low	59.75 Å²	59.75	85 Å²	85	32%	0.32	42%	0.418	S	S	.	.			trans	-102	-43.1	-176.4	-58.5	26.4	0	0	0	111.7	D763 F913 D914 V915	D763-N838 PolarHBondContact O-N 3.03Å; N838-F913 CarbonylContact O-C 3.25Å; N838-F913 WeakPolarHBondContact O-CA 3.46Å; N838-D914 WeakPolarHBondContact CA-OD2 3.39Å; N838-D914 WeakPolarHBondContact CB-OD2 3.46Å; N838-D914 PolarHBondContact ND2-OD2 2.88Å; N838-D914 WeakPolarHBondContact O-CA 3.45Å; N838-D914 PolarHBondContact O-N 3.27Å; N838-V915 PolarHBondContact O-N 3.21Å; N838-V915 VanDerWaalsContact O-N 3.11Å
839	V	54.6	Low	42	Very low	26.25 Å²	26.25	83.7 Å²	83.7	16%	0.159	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	132.3	-173.7	-172.8	0	0	0	0	112.6	V511 V587 D763 V764 E765 V915	V511-V839 HydrophobicContact CG1-CG1 4.46Å; V511-V839 HydrophobicContact CG1-CG2 3.82Å; V511-V839 HydrophobicContact CG2-CG2 3.83Å; V587-V839 HydrophobicContact CG1-CB 4.49Å; V587-V839 HydrophobicContact CG1-CG2 4.09Å; V587-V839 HydrophobicContact CG2-CG2 4.34Å; D763-V839 PolarHBondContact O-N 2.92Å; D763-V839 VanDerWaalsContact O-N 3.07Å; V764-V839 WeakPolarHBondContact CA-O 3.33Å; V764-V839 HydrophobicContact CG1-CB 4.47Å; V764-V839 HydrophobicContact CG2-CB 4.33Å; V764-V839 HydrophobicContact CG2-CG2 4.5Å; E765-V839 PolarHBondContact N-O 2.93Å; E765-V839 VanDerWaalsContact N-O 3.08Å; V839-V915 WeakPolarHBondContact CA-O 3.37Å; V839-V915 HydrophobicContact CB-CB 3.97Å; V839-V915 HydrophobicContact CB-CG1 4.45Å; V839-V915 HydrophobicContact CG1-CB 4.26Å; V839-V915 HydrophobicContact CG1-CG1 4.02Å; V839-V915 HydrophobicContact CG2-CB 4.19Å; V839-V915 HydrophobicContact CG2-CG1 4.42Å; V839-V915 HydrophobicContact CG2-CG2 3.82Å
840	Q	57.6	Low	42.5	Very low	25.25 Å²	25.25	82.4 Å²	82.4	12%	0.118	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	135.6	169.1	-177	178.9	77.8	0	0	112	E765 Q842 F913 V915 Q916 T917	E765-Q840 HydrophobicContact CB-CG 4.49Å; E765-Q840 WeakPolarHBondContact O-CA 3.23Å; E765-Q840 PolarHBondContact OE2-NE2 2.9Å; Q840-Q842 HydrophobicContact CG-CG 4.36Å; Q840-F913 HydrophobicContact CB-CB 4.49Å; Q840-F913 HydrophobicContact CB-CD1 3.72Å; Q840-F913 HydrophobicContact CB-CE1 3.89Å; Q840-F913 HydrophobicContact CB-CG 4.28Å; Q840-F913 HydrophobicContact CB-CZ 4.4Å; Q840-F913 HydrophobicContact CG-CD1 4.49Å; Q840-F913 HydrophobicContact CG-CE1 4.27Å; Q840-V915 PolarHBondContact N-O 2.97Å; Q840-V915 VanDerWaalsContact N-O 3.12Å; Q840-V915 VanDerWaalsContact O-O 3.07Å; Q840-Q916 WeakPolarHBondContact O-CA 3.41Å; Q840-Q916 VanDerWaalsContact OE1-NE2 3.08Å; Q840-T917 PolarHBondContact O-N 3.21Å
841	T	49.6	Very low	42.7	Very low	31.75 Å²	31.75	76.5 Å²	76.5	20%	0.195	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	134.7	176	-63.9	0	0	0	0	111.6	E765 T766 Q767 T917	E765-T841 PolarHBondContact O-N 2.9Å; T766-T841 WeakPolarHBondContact CA-O 3.4Å; T766-T841 HydrophobicContact CG2-CG2 4.35Å; Q767-T841 PolarHBondContact N-O 3.11Å; T841-T917 CarbonylContact C-O 3.5Å; T841-T917 VanDerWaalsContact CA-O 3.31Å; T841-T917 WeakPolarHBondContact CA-O 3.36Å; T841-T917 WeakPolarHBondContact CB-OG1 3.22Å; T841-T917 VanDerWaalsContact CG2-OG1 3.22Å; T841-T917 WeakPolarHBondContact CG2-OG1 3.47Å; T841-T917 WeakPolarHBondContact OG1-CB 3.49Å; T841-T917 PolarHBondContact OG1-OG1 2.9Å
842	Q	47.5	Very low	42.9	Very low	76.25 Å²	76.25	77.1 Å²	77.1	36%	0.356	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	139	179.4	-80.3	-177.7	16.5	0	0	112.4	Q767 Q840 T917 Q918 S919	Q767-Q842 HydrophobicContact CB-CG 4.45Å; Q767-Q842 CarbonylContact O-C 3.58Å; Q767-Q842 VanDerWaalsContact O-CA 3.31Å; Q767-Q842 WeakPolarHBondContact O-CA 3.34Å; Q840-Q842 HydrophobicContact CG-CG 4.36Å; Q842-T917 PolarHBondContact N-O 3.09Å; Q842-Q918 HydrophobicContact CB-CG 4.31Å; Q842-Q918 CarbonylContact O-C 3.56Å; Q842-Q918 VanDerWaalsContact O-CA 3.3Å; Q842-Q918 WeakPolarHBondContact O-CA 3.36Å; Q842-Q918 VanDerWaalsContact OE1-NE2 3.12Å; Q842-S919 CarbonylContact O-C 3.34Å; Q842-S919 PolarHBondContact O-N 2.96Å
843	S	43.7	Very low	42.9	Very low	44 Å²	44	74.7 Å²	74.7	31%	0.308	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	159.8	175.6	-165.2	0	0	0	0	113.1	S591 Q767 S768 G769 S919	S591-S843 WeakPolarHBondContact OG-CB 3.18Å; S591-S843 PolarHBondContact OG-OG 2.74Å; Q767-S843 PolarHBondContact O-N 3.01Å; S768-S843 WeakPolarHBondContact CA-O 3.45Å; G769-S843 PolarHBondContact N-O 3.05Å; S843-S919 VanDerWaalsContact CA-O 3.29Å; S843-S919 WeakPolarHBondContact CA-O 3.3Å; S843-S919 WeakPolarHBondContact CB-O 3.14Å; S843-S919 PolarHBondContact OG-O 2.72Å; S843-S919 PolarHBondContact OG-OG 3.2Å
844	G	43	Very low	42.9	Very low	18.75 Å²	18.75	74.7 Å²	74.7	19%	0.193	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.9	158.3	172.9	0	0	0	0	0	117	G769 S919 G920 S921	G769-G844 CarbonylContact O-C 3.49Å; G769-G844 WeakPolarHBondContact O-CA 3.3Å; G844-S919 PolarHBondContact N-O 3.11Å; G844-G920 CarbonylContact O-C 3.55Å; G844-G920 WeakPolarHBondContact O-CA 3.27Å; G844-S921 CarbonylContact O-C 3.59Å; G844-S921 WeakPolarHBondContact O-CA 3.34Å; G844-S921 PolarHBondContact O-N 2.95Å; G844-S921 VanDerWaalsContact O-N 3.11Å
845	I	44.7	Very low	42.7	Very low	34.75 Å²	34.75	77.3 Å²	77.3	18%	0.178	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	131.6	-175.4	-55.1	177.1	0	0	0	110.6	T593 V664 G769 I770 I771 Q847 S921 K958	T593-I845 HydrophobicContact CG2-CD1 3.96Å; T593-I845 WeakPolarHBondContact OG1-CD1 3.36Å; V664-I845 HydrophobicContact CB-CD1 3.75Å; V664-I845 HydrophobicContact CG1-CD1 4.12Å; V664-I845 HydrophobicContact CG2-CD1 3.82Å; G769-I845 PolarHBondContact O-N 3.05Å; I770-I845 CarbonylContact C-O 3.44Å; I770-I845 WeakPolarHBondContact CA-O 3.41Å; I770-I845 HydrophobicContact CD1-CD1 4.3Å; I770-I845 HydrophobicContact CG1-CB 4.22Å; I770-I845 HydrophobicContact CG1-CD1 4.33Å; I770-I845 HydrophobicContact CG1-CG1 4.46Å; I770-I845 HydrophobicContact CG2-CB 4.38Å; I770-I845 HydrophobicContact CG2-CG2 4.48Å; I771-I845 PolarHBondContact N-O 3.2Å; I845-Q847 HydrophobicContact CG2-CG 4.39Å; I845-S921 CarbonylContact C-O 3.56Å; I845-S921 WeakPolarHBondContact CA-O 3.43Å; I845-K958 PolarHBondContact O-NZ 2.91Å
846	I	50.2	Low	42.1	Very low	60.5 Å²	60.5	80.5 Å²	80.5	31%	0.31	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	103.7	-179.4	-35.2	177	0	0	0	112.9	I771 S921 V922 T923 I924 K958 L959 Q960 V962	I771-I846 CarbonylContact O-C 3.57Å; I771-I846 WeakPolarHBondContact O-CA 2.92Å; I846-S921 PolarHBondContact N-O 2.9Å; I846-V922 HydrophobicContact CB-CG1 4.48Å; I846-V922 HydrophobicContact CB-CG2 4.4Å; I846-V922 HydrophobicContact CD1-CG1 3.88Å; I846-V922 HydrophobicContact CD1-CG2 4.42Å; I846-V922 HydrophobicContact CG1-CB 4.39Å; I846-V922 HydrophobicContact CG1-CG1 3.86Å; I846-V922 HydrophobicContact CG1-CG2 4.27Å; I846-V922 CarbonylContact O-C 3.55Å; I846-V922 WeakPolarHBondContact O-CA 3.19Å; I846-T923 PolarHBondContact O-N 3.14Å; I846-I924 HydrophobicContact CG2-CD1 3.89Å; I846-I924 HydrophobicContact CG2-CG1 4.45Å; I846-K958 CarbonylContact O-C 3.58Å; I846-K958 VanDerWaalsContact O-CA 3.25Å; I846-K958 WeakPolarHBondContact O-CA 3.4Å; I846-K958 WeakPolarHBondContact O-CB 3.13Å; I846-K958 VanDerWaalsContact O-CG 3.23Å; I846-K958 WeakPolarHBondContact O-CG 3.32Å; I846-L959 HydrophobicContact CB-CD2 3.66Å; I846-L959 HydrophobicContact CD1-CD2 3.92Å; I846-L959 HydrophobicContact CG1-CD2 3.49Å; I846-L959 VanDerWaalsContact CG1-CD2 3.49Å; I846-L959 VanDerWaalsContact O-CD2 3.23Å; I846-L959 WeakPolarHBondContact O-CD2 3.26Å; I846-L959 WeakPolarHBondContact O-CG 3.42Å; I846-L959 PolarHBondContact O-N 3.07Å; I846-L959 VanDerWaalsContact O-N 3.09Å; I846-Q960 WeakPolarHBondContact CD1-O 3.02Å; I846-V962 HydrophobicContact CD1-CG1 4.06Å
847	Q	45	Very low	41.5	Very low	63.75 Å²	63.75	82.8 Å²	82.8	30%	0.298	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	126.5	172.6	-87.2	-178.2	-31.1	0	0	114	I771 C772 K773 I845 E849 T923 K957 K958 L959	I771-Q847 PolarHBondContact O-N 2.98Å; C772-Q847 CarbonylContact C-O 3.5Å; C772-Q847 WeakPolarHBondContact CA-O 3.41Å; C772-Q847 HydrophobicContact CB-CB 4.41Å; C772-Q847 PolarHBondContact SG-OE1 2.84Å; K773-Q847 PolarHBondContact N-O 3.02Å; I845-Q847 HydrophobicContact CG2-CG 4.39Å; Q847-E849 PolarHBondContact NE2-OE1 2.78Å; Q847-T923 WeakPolarHBondContact CA-O 3.45Å; Q847-T923 HydrophobicContact CG-CG2 4.38Å; Q847-T923 PolarHBondContact N-OG1 2.91Å; Q847-T923 VanDerWaalsContact N-OG1 3.13Å; Q847-K957 CarbonylContact O-C 3.15Å; Q847-K958 HydrophobicContact CB-CD 4.3Å; Q847-K958 HydrophobicContact CB-CG 4.32Å; Q847-K958 PolarHBondContact O-N 3.11Å; Q847-L959 VanDerWaalsContact C-CG 3.47Å
848	K	49	Very low	40.5	Very low	60 Å²	60	86.4 Å²	86.4	26%	0.261	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	127.5	175.8	170	-150.4	170.3	-157.8	0	111.4	K773 Q850 T923 I924 N925 E927 L959	K773-K848 WeakPolarHBondContact O-CA 3.38Å; K848-Q850 HydrophobicContact CG-CG 4.45Å; K848-T923 PolarHBondContact N-O 3.06Å; K848-I924 HydrophobicContact CB-CG1 4.17Å; K848-I924 HydrophobicContact CB-CG2 4.13Å; K848-I924 HydrophobicContact CD-CG2 4.19Å; K848-I924 HydrophobicContact CG-CG2 4.29Å; K848-I924 WeakPolarHBondContact O-CA 3.34Å; K848-N925 PolarHBondContact NZ-OD1 3.12Å; K848-N925 PolarHBondContact O-N 3.02Å; K848-N925 PolarHBondContact O-ND2 2.8Å; K848-N925 PolarHBondContact O-OD1 2.73Å; K848-E927 WeakPolarHBondContact CE-OE2 3.45Å; K848-E927 IonicContact NZ-OE1 3.67Å; K848-E927 PolarHBondContact NZ-OE1 3.03Å; K848-E927 IonicContact NZ-OE2 3.6Å; K848-E927 PolarHBondContact NZ-OE2 3.34Å; K848-L959 HydrophobicContact CB-CB 3.92Å; K848-L959 HydrophobicContact CB-CD1 3.71Å; K848-L959 HydrophobicContact CB-CG 3.82Å; K848-L959 HydrophobicContact CD-CB 4.08Å; K848-L959 HydrophobicContact CD-CD1 3.64Å; K848-L959 HydrophobicContact CD-CG 4.33Å; K848-L959 HydrophobicContact CG-CB 4.24Å; K848-L959 HydrophobicContact CG-CD1 4.21Å
849	E	38.9	Very low	39.1	Very low	107.25 Å²	107.25	91.4 Å²	91.4	50%	0.501	47%	0.468	S	S	.	.			trans	-109.9	143.3	176.7	-65.5	160	166.5	0	0	111.4	Q668 K773 S774 Q775 Q847 N925	Q668-E849 PolarHBondContact NE2-OE1 2.85Å; K773-E849 PolarHBondContact O-N 3.03Å; S774-E849 WeakPolarHBondContact CB-OE2 3.35Å; Q775-E849 PolarHBondContact N-O 2.89Å; Q847-E849 PolarHBondContact NE2-OE1 2.78Å; E849-N925 VanDerWaalsContact C-OD1 3.31Å; E849-N925 PolarHBondContact O-OD1 2.94Å
850	Q	38.3	Very low	37.8	Very low	105 Å²	105	96.1 Å²	96.1	49%	0.491	50%	0.497	S	S	.	.			trans	-138.6	140.6	174.6	-84.3	171.1	-83.5	0	0	111.1	K848 N925 S926 E927	K848-Q850 HydrophobicContact CG-CG 4.45Å; Q850-N925 HydrophobicContact CB-CB 4.26Å; Q850-N925 PolarHBondContact N-O 3.07Å; Q850-N925 PolarHBondContact O-ND2 3.06Å; Q850-S926 PolarHBondContact NE2-OG 3.21Å; Q850-S926 VanDerWaalsContact NE2-OG 3.14Å; Q850-S926 WeakPolarHBondContact O-CA 3.43Å; Q850-E927 PolarHBondContact NE2-OE1 3.12Å; Q850-E927 PolarHBondContact O-N 3.15Å; Q850-E927 VanDerWaalsContact O-N 3.08Å
851	G	32.3	Very low	36.3	Very low	58 Å²	58	100 Å²	100	60%	0.598	52%	0.523	S	S	*	.			trans	-139.6	146.9	173.9	0	0	0	0	0	112.3	Q775	Q775-G851 PolarHBondContact O-N 2.97Å
852	I	32.5	Very low	35.3	Very low	137.75 Å²	137.75	104.4 Å²	104.4	71%	0.706	55%	0.55	S	S	*	.			trans	-122.5	138.1	-175.4	-56.2	177	0	0	0	110.3	E927 Q929	I852-E927 PolarHBondContact N-O 2.96Å; I852-Q929 PolarHBondContact O-N 3.25Å
853	Q	29.2	Very low	34.4	Very low	144.75 Å²	144.75	107.4 Å²	107.4	68%	0.676	57%	0.568	S	S	*	*			trans	-131.2	137.4	172.3	-166.4	-178.4	19	0	0	110.7	Q778 Q929	Q778-Q853 VanDerWaalsContact NE2-OE1 3.11Å; Q853-Q929 PolarHBondContact O-NE2 2.8Å
854	T	29.5	Very low	33.8	Very low	119.25 Å²	119.25	111.3 Å²	111.3	73%	0.732	59%	0.589	S	S	*	*			trans	-121.8	137.4	-177.1	-41.6	0	0	0	0	111.3	P931	T854-P931 WeakPolarHBondContact O-CD 3.19Å
855	R	28.5	Very low	33.2	Very low	202.25 Å²	202.25	115.4 Å²	115.4	76%	0.763	61%	0.611	S	S	*	*			trans	-144.7	134.6	171.3	-166.4	172.7	-178	158.4	1	112.8	E857 E933	R855-E857 IonicContact CZ-OE1 2.81Å; R855-E857 IonicContact CZ-OE2 3.43Å; R855-E857 VanDerWaalsContact CZ-OE2 3.23Å; R855-E857 IonicContact NE-OE1 2.69Å; R855-E857 PolarHBondContact NE-OE1 2.87Å; R855-E857 IonicContact NE-OE2 3.39Å; R855-E857 PolarHBondContact NE-OE2 3.14Å; R855-E857 IonicContact NH2-OE1 2.75Å; R855-E857 PolarHBondContact NH2-OE1 2.87Å; R855-E857 IonicContact NH2-OE2 3.05Å; R855-E857 PolarHBondContact NH2-OE2 2.88Å; R855-E933 IonicContact NH2-OE2 3.98Å
856	E	28	Very low	32.4	Very low	178.75 Å²	178.75	120.2 Å²	120.2	84%	0.835	64%	0.637	S	S	*	*			trans	-92	150.3	167.9	-97.2	170.3	144	0	0	111
857	E	25.7	Very low	31.4	Very low	138 Å²	138	122.9 Å²	122.9	65%	0.645	66%	0.656	S	S	*	*			trans	-146.7	146	166.9	-149.1	-174.3	140.8	0	0	113.7	R855 Q859	R855-E857 IonicContact CZ-OE1 2.81Å; R855-E857 IonicContact CZ-OE2 3.43Å; R855-E857 VanDerWaalsContact CZ-OE2 3.23Å; R855-E857 IonicContact NE-OE1 2.69Å; R855-E857 PolarHBondContact NE-OE1 2.87Å; R855-E857 IonicContact NE-OE2 3.39Å; R855-E857 PolarHBondContact NE-OE2 3.14Å; R855-E857 IonicContact NH2-OE1 2.75Å; R855-E857 PolarHBondContact NH2-OE1 2.87Å; R855-E857 IonicContact NH2-OE2 3.05Å; R855-E857 PolarHBondContact NH2-OE2 2.88Å; E857-Q859 PolarHBondContact OE1-NE2 2.88Å
858	V	27.2	Very low	30.5	Very low	121.5 Å²	121.5	125.4 Å²	125.4	74%	0.736	68%	0.676	S	S	*	*			trans	150.8	117.9	159.9	-178.8	0	0	0	0	114.6
859	Q	26.5	Very low	29.6	Very low	166 Å²	166	127.6 Å²	127.6	78%	0.776	69%	0.694	S	S	*	*			trans	-117.3	154.6	160.9	-138.1	177.9	70.5	0	0	115.1	E857	E857-Q859 PolarHBondContact OE1-NE2 2.88Å
860	T	27.2	Very low	29	Very low	124.5 Å²	124.5	128.3 Å²	128.3	76%	0.764	71%	0.706	S	S	*	*			trans	-138.8	122.6	139.4	-57.7	0	0	0	0	111.7
861	T	26.4	Very low	28.5	Very low	108.25 Å²	108.25	131.1 Å²	131.1	66%	0.664	72%	0.719	S	S	*	*			trans	-71.6	148.7	176.2	2	0	0	0	0	116.9
862	V	28.6	Very low	28.2	Very low	123.5 Å²	123.5	136.9 Å²	136.9	75%	0.748	73%	0.73	S	S	*	*			trans	-14.3	125.9	161.8	172.3	0	0	0	0	113.9
863	N	29.1	Very low	28	Very low	138.5 Å²	138.5	139.4 Å²	139.4	74%	0.741	74%	0.736	S	S	*	*				-120.2	141.8	88.1	-94.3	-22.9	0	0	0	111.5
864	V	31	Very low	28	Very low	125.25 Å²	125.25	141.5 Å²	141.5	76%	0.759	74%	0.743	S	S	*	*			trans	-106.1	131.9	155.8	-176.4	0	0	0	0	110.5
865	T	29.6	Very low	28	Very low	106.5 Å²	106.5	141.4 Å²	141.4	65%	0.653	74%	0.743	S	S	*	*			trans	-146.6	145.5	156.6	-7.9	0	0	0	0	111.5
866	D	28.1	Very low	27.9	Very low	134 Å²	134	142.8 Å²	142.8	72%	0.717	75%	0.748	S	S	*	*			trans	45.8	117.2	165.3	-59	-31.5	0	0	0	117.9	T868	D866-T868 PolarHBondContact O-N 2.89Å
867	V	28.3	Very low	28	Very low	118 Å²	118	143.1 Å²	143.1	72%	0.715	75%	0.749	S	S	*	*			trans	-128	90.9	152.1	171.1	0	0	0	0	109.9	V869	V867-V869 HydrophobicContact CG1-CG2 3.51Å; V867-V869 PolarHBondContact O-N 2.91Å
868	T	26.5	Very low	28.1	Very low	116.25 Å²	116.25	143.3 Å²	143.3	71%	0.713	75%	0.753	S	S	*	*			trans	-78.5	122.3	163.6	52.7	0	0	0	0	113.7	D866 T870	D866-T868 PolarHBondContact O-N 2.89Å; T868-T870 PolarHBondContact O-N 3.15Å
869	V	29.7	Very low	28.2	Very low	106.25 Å²	106.25	144.8 Å²	144.8	64%	0.644	76%	0.757	S	S	*	*			trans	-119	100.4	173	166.7	0	0	0	0	110.9	V867 H871	V867-V869 HydrophobicContact CG1-CG2 3.51Å; V867-V869 PolarHBondContact O-N 2.91Å; V869-H871 WeakPolarHBondContact CG1-CE1 3.48Å; V869-H871 VanDerWaalsContact CG1-ND1 3.29Å; V869-H871 WeakPolarHBondContact CG1-ND1 3.37Å
870	T	26	Very low	28.4	Very low	123 Å²	123	144.7 Å²	144.7	76%	0.755	75%	0.754	S	S	*	*			trans	-70.3	136.7	158.7	53.3	0	0	0	0	113.3	T868	T868-T870 PolarHBondContact O-N 3.15Å
871	H	29	Very low	28.4	Very low	163 Å²	163	147.3 Å²	147.3	76%	0.755	76%	0.755	S	S	*	*			trans	-123.9	100	170.9	-115.1	-1.8	0	0	0	112.6	V869 F873	V869-H871 WeakPolarHBondContact CG1-CE1 3.48Å; V869-H871 VanDerWaalsContact CG1-ND1 3.29Å; V869-H871 WeakPolarHBondContact CG1-ND1 3.37Å; H871-F873 AromaticContact CE1-CD2 3.67Å; H871-F873 AromaticContact CE1-CE2 3.84Å; H871-F873 AromaticContact ND1-CD2 3.83Å
872	E	26.3	Very low	28.4	Very low	179.75 Å²	179.75	148.9 Å²	148.9	84%	0.84	76%	0.759	S	S	*	*			trans	-70.8	136.3	167.8	-70.3	-164.7	126.6	0	0	111.5	K874	E872-K874 PolarHBondContact O-N 2.94Å
873	F	28.4	Very low	28.3	Very low	190.5 Å²	190.5	151 Å²	151	84%	0.836	76%	0.76	S	S	*	*			trans	-115.3	102.8	164.6	-126.4	-88.3	0	0	0	111.9	H871 T875	H871-F873 AromaticContact CE1-CD2 3.67Å; H871-F873 AromaticContact CE1-CE2 3.84Å; H871-F873 AromaticContact ND1-CD2 3.83Å; F873-T875 PolarHBondContact O-N 2.97Å
874	K	28.7	Very low	28.2	Very low	187.75 Å²	187.75	148.8 Å²	148.8	82%	0.816	76%	0.762	S	S	*	*			trans	-109	128.1	162.9	-133.5	166.8	-171.9	167.3	0	115.2	E872	E872-K874 PolarHBondContact O-N 2.94Å
875	T	28.4	Very low	28	Very low	117.25 Å²	117.25	148 Å²	148	72%	0.719	76%	0.757	S	S	*	*	S	Bend	trans	62.5	117.9	167.9	31.6	0	0	0	0	118.3	F873	F873-T875 PolarHBondContact O-N 2.97Å
876	R	27.1	Very low	28	Very low	232.75 Å²	232.75	149.7 Å²	149.7	88%	0.878	76%	0.761	S	S	*	*				125.5	137.6	129.4	-90.5	178.2	-173.8	-143.2	0.4	113.8
877	Q	29.6	Very low	27.8	Very low	184.25 Å²	184.25	149.8 Å²	149.8	86%	0.861	76%	0.758	S	S	*	*			trans	154.4	125.5	165.4	-64.4	-169.1	-33.9	0	0	113.6
878	I	28	Very low	27.9	Very low	143 Å²	143	149.6 Å²	149.6	73%	0.733	76%	0.76	S	S	*	*				-164.1	129.5	123.3	-63	166.8	0	0	0	109	K880	I878-K880 HydrophobicContact CG2-CG 4.29Å; I878-K880 PolarHBondContact O-N 3.27Å
879	N	30.1	Very low	27.8	Very low	152 Å²	152	151.7 Å²	151.7	81%	0.813	76%	0.761	S	S	*	*			trans	-75.7	115.1	161	-82.9	-46.4	0	0	0	114.4
880	K	30.8	Very low	27.8	Very low	164.75 Å²	164.75	153.9 Å²	153.9	72%	0.716	77%	0.768	S	S	*	*			trans	-154.2	153.8	156.9	-86.7	-179.6	179	-179.2	0	113.8	I878 E948 H950	I878-K880 HydrophobicContact CG2-CG 4.29Å; I878-K880 PolarHBondContact O-N 3.27Å; K880-E948 WeakPolarHBondContact CE-OE1 3.44Å; K880-E948 IonicContact NZ-OE1 2.77Å; K880-E948 PolarHBondContact NZ-OE1 2.72Å; K880-H950 PolarHBondContact NZ-NE2 2.62Å
881	K	27.5	Very low	27.8	Very low	178.25 Å²	178.25	155.9 Å²	155.9	78%	0.775	77%	0.766	S	S	*	*			trans	-9.8	145.4	165.2	-86.9	-157.1	179.7	-179	0	112.6	S944 V945	K881-S944 PolarHBondContact NZ-O 2.89Å; K881-V945 PolarHBondContact NZ-O 2.95Å
882	L	26.7	Very low	27.7	Very low	141.75 Å²	141.75	155 Å²	155	74%	0.742	77%	0.767	S	S	*	*			trans	-125.8	131.1	154.8	-97.8	148	0	0	0	108.9	P949	L882-P949 HydrophobicContact CD1-CG 3.62Å; L882-P949 HydrophobicContact CD2-CG 4.02Å; L882-P949 HydrophobicContact CG-CG 4.49Å
883	Q	26	Very low	27.6	Very low	168.25 Å²	168.25	151.5 Å²	151.5	79%	0.786	76%	0.758	S	S	*	*			trans	-131.8	135.8	172	-127.7	173	-44.4	0	0	106.8
884	A	26.8	Very low	27.4	Very low	92.75 Å²	92.75	149.5 Å²	149.5	77%	0.767	76%	0.755	S	S	*	*			trans	-117.5	89.8	178.8	0	0	0	0	0	110.5	I886	A884-I886 PolarHBondContact O-N 2.91Å; A884-I886 VanDerWaalsContact O-N 3.13Å
885	T	27	Very low	27.2	Very low	109 Å²	109	147 Å²	147	67%	0.669	75%	0.749	S	S	*	*			trans	-102.4	120.3	177.6	-53.8	0	0	0	0	108.7	M887	T885-M887 HydrophobicContact CG2-CG 4.12Å
886	I	29.2	Very low	27	Very low	142 Å²	142	149.6 Å²	149.6	73%	0.728	75%	0.753	S	S	*	*			trans	-119	115.1	167.3	-58.3	178.6	0	0	0	107.3	A884	A884-I886 PolarHBondContact O-N 2.91Å; A884-I886 VanDerWaalsContact O-N 3.13Å
887	M	24.7	Very low	27	Very low	135.25 Å²	135.25	144.1 Å²	144.1	67%	0.666	75%	0.745	S	S	*	*			trans	-107.3	138.6	167.1	-77.1	175.4	65.7	0	0	109	T885 Q889	T885-M887 HydrophobicContact CG2-CG 4.12Å; M887-Q889 HydrophobicContact CB-CG 4.22Å; M887-Q889 HydrophobicContact CE-CG 3.9Å; M887-Q889 VanDerWaalsContact CE-NE2 3.28Å; M887-Q889 PolarHBondContact O-N 2.82Å
888	P	29.7	Very low	26.8	Very low	114.75 Å²	114.75	143.1 Å²	143.1	75%	0.745	74%	0.74	S	S	*	*			trans	-93.2	138.2	158.6	26.3	-21.3	0	0	0	111.2	I890	P888-I890 PolarHBondContact O-N 3.02Å
889	Q	24.4	Very low	26.8	Very low	158.75 Å²	158.75	144.3 Å²	144.3	74%	0.742	75%	0.747	S	S	*	*			trans	-151.9	119.1	160.3	-61.8	-120.9	-33.7	0	0	111.7	M887	M887-Q889 HydrophobicContact CB-CG 4.22Å; M887-Q889 HydrophobicContact CE-CG 3.9Å; M887-Q889 VanDerWaalsContact CE-NE2 3.28Å; M887-Q889 PolarHBondContact O-N 2.82Å
890	I	29.3	Very low	26.6	Very low	153.75 Å²	153.75	146.1 Å²	146.1	79%	0.788	75%	0.751	S	S	*	*			trans	-98.7	135.9	158.1	-58.7	177.9	0	0	0	109.4	P888 D892	P888-I890 PolarHBondContact O-N 3.02Å; I890-D892 WeakPolarHBondContact CA-OD2 3.34Å; I890-D892 WeakPolarHBondContact CG2-OD2 3.25Å
891	K	26.4	Very low	26.5	Very low	164.75 Å²	164.75	141.5 Å²	141.5	72%	0.716	75%	0.751	S	S	*	*			trans	-146.4	113.2	-179.9	-117.2	-169.9	172.8	-154.1	0	110.7	T893 C971 L972	K891-T893 PolarHBondContact NZ-OG1 3.22Å; K891-T893 WeakPolarHBondContact O-CB 3.33Å; K891-T893 PolarHBondContact O-N 3.31Å; K891-T893 PolarHBondContact O-OG1 2.82Å; K891-C971 PolarHBondContact NZ-O 2.87Å; K891-L972 PolarHBondContact NZ-O 3.46Å
892	D	25.8	Very low	26.4	Very low	144.25 Å²	144.25	139.9 Å²	139.9	77%	0.771	76%	0.756	S	S	*	*			trans	-89.3	139.8	176.2	-68.6	-85.4	0	0	0	113.3	I890 I894	I890-D892 WeakPolarHBondContact CA-OD2 3.34Å; I890-D892 WeakPolarHBondContact CG2-OD2 3.25Å; D892-I894 PolarHBondContact O-N 3.15Å
893	T	24.5	Very low	26.4	Very low	105.75 Å²	105.75	138.1 Å²	138.1	65%	0.649	76%	0.755	S	S	*	*			trans	-121.3	121.2	164.7	-47.6	0	0	0	0	109.8	K891 I895 C971 L972	K891-T893 PolarHBondContact NZ-OG1 3.22Å; K891-T893 WeakPolarHBondContact O-CB 3.33Å; K891-T893 PolarHBondContact O-N 3.31Å; K891-T893 PolarHBondContact O-OG1 2.82Å; T893-I895 HydrophobicContact CG2-CD1 4.41Å; T893-I895 HydrophobicContact CG2-CG1 3.64Å; T893-I895 PolarHBondContact O-N 3.15Å; T893-C971 WeakPolarHBondContact CG2-O 3.47Å; T893-C971 PolarHBondContact OG1-O 2.81Å; T893-L972 HydrophobicContact CG2-CD2 4.31Å
894	I	24.6	Very low	26.5	Very low	148.75 Å²	148.75	136.2 Å²	136.2	76%	0.763	76%	0.755	S	S	*	*			trans	-110.9	133.7	171.1	-33.4	173.7	0	0	0	108.9	D892 Q896	D892-I894 PolarHBondContact O-N 3.15Å; I894-Q896 VanDerWaalsContact C-N 3.32Å; I894-Q896 HydrophobicContact CG2-CB 3.99Å; I894-Q896 HydrophobicContact CG2-CG 3.93Å; I894-Q896 PolarHBondContact O-N 3.19Å; I894-Q896 VanDerWaalsContact O-N 3.15Å
895	I	25.5	Very low	26.4	Very low	135.25 Å²	135.25	140.6 Å²	140.6	69%	0.694	76%	0.757	S	S	*	*			trans	-115.4	123.5	162.1	-52.9	176	0	0	0	109.2	T893	T893-I895 HydrophobicContact CG2-CD1 4.41Å; T893-I895 HydrophobicContact CG2-CG1 3.64Å; T893-I895 PolarHBondContact O-N 3.15Å
896	Q	24.2	Very low	26.6	Very low	172 Å²	172	140.9 Å²	140.9	80%	0.804	76%	0.761	S	S	*	*			trans	-111.2	138.5	165.1	-97.4	176.7	-1.8	0	0	110.9	I894 E898	I894-Q896 VanDerWaalsContact C-N 3.32Å; I894-Q896 HydrophobicContact CG2-CB 3.99Å; I894-Q896 HydrophobicContact CG2-CG 3.93Å; I894-Q896 PolarHBondContact O-N 3.19Å; I894-Q896 VanDerWaalsContact O-N 3.15Å; Q896-E898 PolarHBondContact O-N 3.15Å
897	T	26.6	Very low	26.5	Very low	116.75 Å²	116.75	140.3 Å²	140.3	72%	0.716	76%	0.764	S	S	*	*			trans	-142.1	121.9	146.7	-58.7	0	0	0	0	112.7	D975 E976	T897-D975 VanDerWaalsContact CA-OD1 3.29Å; T897-D975 WeakPolarHBondContact CA-OD1 3.27Å; T897-E976 HydrophobicContact CG2-CB 4.22Å; T897-E976 HydrophobicContact CG2-CG 3.85Å
898	E	25.3	Very low	26.8	Very low	164 Å²	164	138 Å²	138	77%	0.766	77%	0.766	S	S	*	*			trans	-85.4	140.4	172.6	-91.1	-178.3	141.7	0	0	111.4	Q896 Q973 T974 D975	Q896-E898 PolarHBondContact O-N 3.15Å; E898-Q973 VanDerWaalsContact CD-NE2 3.34Å; E898-Q973 PolarHBondContact OE1-NE2 3.38Å; E898-Q973 VanDerWaalsContact OE1-NE2 3.1Å; E898-T974 HydrophobicContact CG-CG2 4.3Å; E898-D975 PolarHBondContact N-OD1 3.09Å
899	L	28.6	Very low	26.9	Very low	167.75 Å²	167.75	138.8 Å²	138.8	88%	0.878	77%	0.769	S	S	*	*			trans	-142.2	127.5	157.1	-150.3	83.5	0	0	0	110.2	G901	L899-G901 PolarHBondContact O-N 2.96Å
900	E	25.6	Very low	27.5	Very low	189.25 Å²	189.25	137.4 Å²	137.4	88%	0.884	76%	0.76	S	S	*	*			trans	-69.4	127.1	-179.3	-83.5	-173.3	138.6	0	0	112.5
901	G	27.7	Very low	28.3	Very low	69.25 Å²	69.25	133.9 Å²	133.9	71%	0.714	75%	0.748	S	S	*	*			trans	-166.6	92.7	-179.1	0	0	0	0	0	114.2	L899 S903	L899-G901 PolarHBondContact O-N 2.96Å; G901-S903 PolarHBondContact O-N 3.08Å; G901-S903 VanDerWaalsContact O-N 3.16Å
902	T	25.5	Very low	29	Very low	144 Å²	144	128.6 Å²	128.6	88%	0.883	73%	0.729	S	S	*	*			trans	-84.1	126.3	-171.5	-34.3	0	0	0	0	113.4	F905	T902-F905 HydrophobicContact CG2-CZ 4.15Å
903	S	27.2	Very low	30.6	Very low	104 Å²	104	123.3 Å²	123.3	73%	0.727	70%	0.699	S	S	*	*			trans	-153.2	149.9	171.6	-171.6	0	0	0	0	113.7	G901 F905	G901-S903 PolarHBondContact O-N 3.08Å; G901-S903 VanDerWaalsContact O-N 3.16Å; S903-F905 PolarHBondContact O-N 2.89Å
904	V	27.1	Very low	32.4	Very low	128 Å²	128	120.1 Å²	120.1	78%	0.776	68%	0.678	S	S	*	*			trans	-52.5	127.7	178.1	-174.4	0	0	0	0	114.8	P906	V904-P906 VanDerWaalsContact O-CD 3.27Å; V904-P906 WeakPolarHBondContact O-CD 3.24Å
905	F	26.4	Very low	34	Very low	185.5 Å²	185.5	114.1 Å²	114.1	81%	0.814	65%	0.648	S	S	*	*			trans	-83.9	137.6	174.6	-69.5	-80.5	0	0	0	113.4	T902 S903 T907	T902-F905 HydrophobicContact CG2-CZ 4.15Å; S903-F905 PolarHBondContact O-N 2.89Å; F905-T907 VanDerWaalsContact C-N 3.3Å; F905-T907 HydrophobicContact CB-CG2 4.21Å; F905-T907 PolarHBondContact O-N 2.89Å
906	P	30.2	Very low	35.7	Very low	115.25 Å²	115.25	109.2 Å²	109.2	75%	0.748	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-88.9	134.8	178.3	25.8	-21.4	0	0	0	113.1	K832 V904 A908	K832-P906 PolarHBondContact NZ-O 2.67Å; V904-P906 VanDerWaalsContact O-CD 3.27Å; V904-P906 WeakPolarHBondContact O-CD 3.24Å; P906-A908 PolarHBondContact O-N 2.97Å
907	T	28.2	Very low	37.2	Very low	130 Å²	130	102.5 Å²	102.5	80%	0.798	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-73.3	143.1	-174.6	-10.9	0	0	0	0	114	K832 F905	K832-T907 PolarHBondContact NZ-O 3.27Å; F905-T907 VanDerWaalsContact C-N 3.3Å; F905-T907 HydrophobicContact CB-CG2 4.21Å; F905-T907 PolarHBondContact O-N 2.89Å
908	A	29.7	Very low	38.5	Very low	85.5 Å²	85.5	99.8 Å²	99.8	71%	0.707	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-97.7	152	178.3	0	0	0	0	0	112.9	P906	P906-A908 PolarHBondContact O-N 2.97Å
909	T	32.8	Very low	39.6	Very low	131.75 Å²	131.75	94 Å²	94	81%	0.808	55%	0.551	S	S	*	*	P	Polyproline II helix	trans	-94.9	134.9	175.9	27	0	0	0	0	111
910	K	35.9	Very low	40.6	Very low	129.75 Å²	129.75	87 Å²	87	56%	0.564	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-82	145.4	-177.7	-67.8	-174.9	175.8	-173	0	112.4	P966 S967 D968 D969 K1008 T1009	K910-P966 PolarHBondContact NZ-O 2.9Å; K910-S967 PolarHBondContact NZ-O 3.09Å; K910-D968 PolarHBondContact NZ-O 3.5Å; K910-D969 WeakPolarHBondContact CE-OD2 3.48Å; K910-D969 IonicContact NZ-OD2 2.75Å; K910-K1008 PolarHBondContact NZ-O 2.92Å; K910-K1008 PolarHBondContact O-NZ 2.83Å; K910-T1009 PolarHBondContact NZ-O 3.28Å
911	P	46.6	Very low	41.7	Very low	80 Å²	80	79.5 Å²	79.5	52%	0.519	49%	0.487	S	S	.	.			trans	-75.2	170.5	171.4	33.4	-36.1	0	0	0	112.3	F913 K1008	P911-F913 HydrophobicContact CB-CE2 4.11Å; P911-F913 HydrophobicContact CB-CZ 4Å; P911-F913 HydrophobicContact CG-CE2 4.2Å; P911-F913 HydrophobicContact CG-CZ 3.57Å; P911-K1008 PolarHBondContact O-NZ 2.73Å
912	T	42	Very low	43.1	Very low	53.5 Å²	53.5	77.6 Å²	77.6	33%	0.328	46%	0.462	S	S	.	.			trans	-123.1	152.7	165.9	51.9	0	0	0	0	108.3	D914	T912-D914 WeakPolarHBondContact CB-OD1 3.25Å; T912-D914 VanDerWaalsContact CB-OD2 3.28Å; T912-D914 WeakPolarHBondContact CB-OD2 3.44Å; T912-D914 PolarHBondContact OG1-OD1 2.75Å; T912-D914 PolarHBondContact OG1-OD2 2.85Å
913	F	58.6	Low	44.4	Very low	33.5 Å²	33.5	72.2 Å²	72.2	15%	0.147	43%	0.429	C	S	.	.			trans	-135.9	125.3	173.9	-60.4	-77.5	0	0	0	107.7	M837 N838 Q840 P911 V915 F1012	M837-F913 HydrophobicContact CB-CD1 4.05Å; M837-F913 HydrophobicContact CB-CE1 4.08Å; M837-F913 HydrophobicContact CE-CE1 4.05Å; M837-F913 HydrophobicContact CE-CZ 4Å; M837-F913 HydrophobicContact CG-CE1 4.45Å; M837-F913 WeakPolarHBondContact O-CA 3.5Å; M837-F913 HydrophobicContact SD-CE1 4.02Å; M837-F913 HydrophobicContact SD-CZ 4.14Å; N838-F913 CarbonylContact O-C 3.25Å; N838-F913 WeakPolarHBondContact O-CA 3.46Å; Q840-F913 HydrophobicContact CB-CB 4.49Å; Q840-F913 HydrophobicContact CB-CD1 3.72Å; Q840-F913 HydrophobicContact CB-CE1 3.89Å; Q840-F913 HydrophobicContact CB-CG 4.28Å; Q840-F913 HydrophobicContact CB-CZ 4.4Å; Q840-F913 HydrophobicContact CG-CD1 4.49Å; Q840-F913 HydrophobicContact CG-CE1 4.27Å; P911-F913 HydrophobicContact CB-CE2 4.11Å; P911-F913 HydrophobicContact CB-CZ 4Å; P911-F913 HydrophobicContact CG-CE2 4.2Å; P911-F913 HydrophobicContact CG-CZ 3.57Å; F913-V915 VanDerWaalsContact C-N 3.33Å; F913-V915 PolarHBondContact O-N 2.87Å; F913-F1012 HydrophobicContact CB-CD1 4.4Å; F913-F1012 HydrophobicContact CD2-CE1 4.31Å; F913-F1012 WeakPolarHBondContact O-CE1 3.47Å
914	D	61.2	Low	45.8	Very low	37.75 Å²	37.75	68.8 Å²	68.8	20%	0.202	40%	0.402	C	S	.	.	S	Bend	trans	-85.5	-35.1	-174	-45.6	-44.4	0	0	0	110	N838 T912 T1011 F1012 D1013 I1014	N838-D914 WeakPolarHBondContact CA-OD2 3.39Å; N838-D914 WeakPolarHBondContact CB-OD2 3.46Å; N838-D914 PolarHBondContact ND2-OD2 2.88Å; N838-D914 WeakPolarHBondContact O-CA 3.45Å; N838-D914 PolarHBondContact O-N 3.27Å; T912-D914 WeakPolarHBondContact CB-OD1 3.25Å; T912-D914 VanDerWaalsContact CB-OD2 3.28Å; T912-D914 WeakPolarHBondContact CB-OD2 3.44Å; T912-D914 PolarHBondContact OG1-OD1 2.75Å; T912-D914 PolarHBondContact OG1-OD2 2.85Å; D914-T1011 WeakPolarHBondContact CA-O 3.03Å; D914-T1011 WeakPolarHBondContact OD1-CB 3.45Å; D914-T1011 PolarHBondContact OD1-OG1 2.85Å; D914-F1012 CarbonylContact O-C 3.36Å; D914-F1012 WeakPolarHBondContact O-CA 3.38Å; D914-D1013 HydrophobicContact CB-CB 4.42Å; D914-D1013 WeakPolarHBondContact CB-OD1 3.47Å; D914-D1013 WeakPolarHBondContact O-CB 3.2Å; D914-D1013 PolarHBondContact O-N 3.02Å; D914-D1013 VanDerWaalsContact O-N 3.1Å; D914-I1014 PolarHBondContact O-N 3.11Å; D914-I1014 VanDerWaalsContact O-O 3.1Å
915	V	59.3	Low	46.8	Very low	22.75 Å²	22.75	65 Å²	65	14%	0.138	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	124.6	169.1	-177.5	0	0	0	0	110.4	V435 N838 V839 Q840 F913 T917 D1013 I1014	V435-V915 HydrophobicContact CG1-CG2 4.36Å; V435-V915 HydrophobicContact CG2-CG2 4.06Å; N838-V915 PolarHBondContact O-N 3.21Å; N838-V915 VanDerWaalsContact O-N 3.11Å; V839-V915 WeakPolarHBondContact CA-O 3.37Å; V839-V915 HydrophobicContact CB-CB 3.97Å; V839-V915 HydrophobicContact CB-CG1 4.45Å; V839-V915 HydrophobicContact CG1-CB 4.26Å; V839-V915 HydrophobicContact CG1-CG1 4.02Å; V839-V915 HydrophobicContact CG2-CB 4.19Å; V839-V915 HydrophobicContact CG2-CG1 4.42Å; V839-V915 HydrophobicContact CG2-CG2 3.82Å; Q840-V915 PolarHBondContact N-O 2.97Å; Q840-V915 VanDerWaalsContact N-O 3.12Å; Q840-V915 VanDerWaalsContact O-O 3.07Å; F913-V915 VanDerWaalsContact C-N 3.33Å; F913-V915 PolarHBondContact O-N 2.87Å; V915-T917 HydrophobicContact CG1-CG2 4.27Å; V915-D1013 HydrophobicContact CG2-CB 3.48Å; V915-D1013 VanDerWaalsContact CG2-CB 3.48Å; V915-I1014 WeakPolarHBondContact CA-O 3.31Å; V915-I1014 HydrophobicContact CG1-CB 4.37Å; V915-I1014 HydrophobicContact CG1-CD1 4.09Å; V915-I1014 HydrophobicContact CG1-CG1 4.19Å; V915-I1014 HydrophobicContact CG2-CB 4.42Å; V915-I1014 HydrophobicContact CG2-CD1 4.36Å; V915-I1014 HydrophobicContact CG2-CG1 4.29Å
916	Q	61.3	Low	47.7	Very low	33.75 Å²	33.75	58.3 Å²	58.3	16%	0.158	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	125.9	172.6	-177.5	-166.5	64.8	0	0	111.6	Q840 Q918 F1012 I1014 Q1015 A1016	Q840-Q916 WeakPolarHBondContact O-CA 3.41Å; Q840-Q916 VanDerWaalsContact OE1-NE2 3.08Å; Q916-Q918 HydrophobicContact CG-CG 4.25Å; Q916-Q918 VanDerWaalsContact OE1-N 3.13Å; Q916-F1012 HydrophobicContact CB-CD1 4.38Å; Q916-F1012 HydrophobicContact CB-CE1 4.27Å; Q916-I1014 PolarHBondContact N-O 3.23Å; Q916-I1014 VanDerWaalsContact N-O 3.1Å; Q916-Q1015 WeakPolarHBondContact O-CA 3.27Å; Q916-A1016 PolarHBondContact O-N 3.04Å; Q916-A1016 VanDerWaalsContact O-N 3.11Å
917	T	55	Low	48.3	Very low	31 Å²	31	58 Å²	58	19%	0.19	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	133.6	174.8	46.7	0	0	0	0	111.9	T513 Q840 T841 Q842 V915 A1016	T513-T917 HydrophobicContact CG2-CG2 4.14Å; Q840-T917 PolarHBondContact O-N 3.21Å; T841-T917 CarbonylContact C-O 3.5Å; T841-T917 VanDerWaalsContact CA-O 3.31Å; T841-T917 WeakPolarHBondContact CA-O 3.36Å; T841-T917 WeakPolarHBondContact CB-OG1 3.22Å; T841-T917 VanDerWaalsContact CG2-OG1 3.22Å; T841-T917 WeakPolarHBondContact CG2-OG1 3.47Å; T841-T917 WeakPolarHBondContact OG1-CB 3.49Å; T841-T917 PolarHBondContact OG1-OG1 2.9Å; Q842-T917 PolarHBondContact N-O 3.09Å; V915-T917 HydrophobicContact CG1-CG2 4.27Å; T917-A1016 WeakPolarHBondContact CA-O 3.37Å; T917-A1016 HydrophobicContact CG2-CB 4.21Å
918	Q	54	Low	48.8	Very low	58.75 Å²	58.75	55.2 Å²	55.2	28%	0.275	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	130	176	-118.3	-158.6	26.6	0	0	110.9	Q842 Q916 A1016 Q1017 S1018 G1019	Q842-Q918 HydrophobicContact CB-CG 4.31Å; Q842-Q918 CarbonylContact O-C 3.56Å; Q842-Q918 VanDerWaalsContact O-CA 3.3Å; Q842-Q918 WeakPolarHBondContact O-CA 3.36Å; Q842-Q918 VanDerWaalsContact OE1-NE2 3.12Å; Q916-Q918 HydrophobicContact CG-CG 4.25Å; Q916-Q918 VanDerWaalsContact OE1-N 3.13Å; Q918-A1016 PolarHBondContact N-O 3.07Å; Q918-A1016 VanDerWaalsContact N-O 3.1Å; Q918-Q1017 HydrophobicContact CB-CG 4.35Å; Q918-Q1017 VanDerWaalsContact O-CA 3.32Å; Q918-Q1017 WeakPolarHBondContact O-CA 3.45Å; Q918-S1018 PolarHBondContact NE2-O 3.05Å; Q918-S1018 CarbonylContact O-C 3.14Å; Q918-S1018 VanDerWaalsContact O-C 3.31Å; Q918-S1018 WeakPolarHBondContact O-CA 3.15Å; Q918-S1018 VanDerWaalsContact O-CB 3.25Å; Q918-S1018 WeakPolarHBondContact O-CB 3.37Å; Q918-S1018 PolarHBondContact O-N 3.12Å; Q918-G1019 PolarHBondContact O-N 3.15Å; Q918-G1019 VanDerWaalsContact OE1-CA 3.29Å
919	S	49.5	Very low	49.1	Very low	44 Å²	44	54.1 Å²	54.1	31%	0.308	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	135.7	176.1	169.7	0	0	0	0	111.9	S515 Q842 S843 G844 S1018	S515-S919 WeakPolarHBondContact OG-CB 3.44Å; S515-S919 PolarHBondContact OG-OG 3.42Å; Q842-S919 CarbonylContact O-C 3.34Å; Q842-S919 PolarHBondContact O-N 2.96Å; S843-S919 VanDerWaalsContact CA-O 3.29Å; S843-S919 WeakPolarHBondContact CA-O 3.3Å; S843-S919 WeakPolarHBondContact CB-O 3.14Å; S843-S919 PolarHBondContact OG-O 2.72Å; S843-S919 PolarHBondContact OG-OG 3.2Å; G844-S919 PolarHBondContact N-O 3.11Å; S919-S1018 VanDerWaalsContact CA-O 3.31Å; S919-S1018 WeakPolarHBondContact CA-O 3.44Å
920	G	48.4	Very low	49.2	Very low	19.5 Å²	19.5	51.5 Å²	51.5	20%	0.201	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	164.7	170.9	0	0	0	0	0	115.9	G844 S1018 G1019 I1020	G844-G920 CarbonylContact O-C 3.55Å; G844-G920 WeakPolarHBondContact O-CA 3.27Å; G920-S1018 PolarHBondContact N-O 3.19Å; G920-G1019 CarbonylContact O-C 3.16Å; G920-G1019 WeakPolarHBondContact O-CA 3.33Å; G920-I1020 CarbonylContact C-O 3.34Å; G920-I1020 WeakPolarHBondContact O-CA 3.49Å; G920-I1020 WeakPolarHBondContact O-CB 3.43Å; G920-I1020 PolarHBondContact O-N 2.93Å; G920-I1020 VanDerWaalsContact O-O 3.04Å
921	S	50.2	Low	49.2	Very low	31.25 Å²	31.25	48.6 Å²	48.6	22%	0.219	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	122.9	178.1	120	0	0	0	0	111.9	G844 I845 I846 I1020	G844-S921 CarbonylContact O-C 3.59Å; G844-S921 WeakPolarHBondContact O-CA 3.34Å; G844-S921 PolarHBondContact O-N 2.95Å; G844-S921 VanDerWaalsContact O-N 3.11Å; I845-S921 CarbonylContact C-O 3.56Å; I845-S921 WeakPolarHBondContact CA-O 3.43Å; I846-S921 PolarHBondContact N-O 2.9Å; S921-I1020 CarbonylContact C-O 3.58Å; S921-I1020 VanDerWaalsContact CA-O 3.25Å; S921-I1020 WeakPolarHBondContact CA-O 3.25Å; S921-I1020 PolarHBondContact N-O 2.78Å
922	V	55.3	Low	48.6	Very low	31 Å²	31	51 Å²	51	19%	0.188	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	132.7	-175.3	179.2	0	0	0	0	110.3	I846 I924 I1020 V1021 V1022	I846-V922 HydrophobicContact CB-CG1 4.48Å; I846-V922 HydrophobicContact CB-CG2 4.4Å; I846-V922 HydrophobicContact CD1-CG1 3.88Å; I846-V922 HydrophobicContact CD1-CG2 4.42Å; I846-V922 HydrophobicContact CG1-CB 4.39Å; I846-V922 HydrophobicContact CG1-CG1 3.86Å; I846-V922 HydrophobicContact CG1-CG2 4.27Å; I846-V922 CarbonylContact O-C 3.55Å; I846-V922 WeakPolarHBondContact O-CA 3.19Å; V922-I924 HydrophobicContact CG1-CB 4.45Å; V922-I924 HydrophobicContact CG1-CD1 4.06Å; V922-I924 HydrophobicContact CG1-CG1 4.03Å; V922-I1020 PolarHBondContact N-O 3.14Å; V922-V1021 HydrophobicContact CB-CG1 3.79Å; V922-V1021 HydrophobicContact CG1-CG1 3.85Å; V922-V1021 CarbonylContact O-C 3.57Å; V922-V1021 WeakPolarHBondContact O-CA 3.3Å; V922-V1021 WeakPolarHBondContact O-CG1 3.37Å; V922-V1022 PolarHBondContact O-N 3Å; V922-V1022 VanDerWaalsContact O-N 3.1Å
923	T	53.3	Low	48	Very low	30.5 Å²	30.5	53.9 Å²	53.9	19%	0.187	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	124.2	178.8	-46.9	0	0	0	0	109.9	I846 Q847 K848 N925 L959 V1022	I846-T923 PolarHBondContact O-N 3.14Å; Q847-T923 WeakPolarHBondContact CA-O 3.45Å; Q847-T923 HydrophobicContact CG-CG2 4.38Å; Q847-T923 PolarHBondContact N-OG1 2.91Å; Q847-T923 VanDerWaalsContact N-OG1 3.13Å; K848-T923 PolarHBondContact N-O 3.06Å; T923-N925 WeakPolarHBondContact CG2-OD1 3.06Å; T923-L959 WeakPolarHBondContact O-CD1 3.49Å; T923-L959 WeakPolarHBondContact O-CD2 3.31Å; T923-V1022 CarbonylContact C-O 3.54Å; T923-V1022 VanDerWaalsContact CA-O 3.24Å; T923-V1022 WeakPolarHBondContact CA-O 3.23Å; T923-V1022 HydrophobicContact CG2-CB 4.38Å; T923-V1022 HydrophobicContact CG2-CG1 4.48Å; T923-V1022 WeakPolarHBondContact CG2-O 3.36Å
924	I	57	Low	46.8	Very low	31.75 Å²	31.75	56.8 Å²	56.8	16%	0.163	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	129.3	173.8	-50.6	177.5	0	0	0	108.8	I846 K848 V922 S926 E927 T928 L959 A961 V1022 K1023 T1024	I846-I924 HydrophobicContact CG2-CD1 3.89Å; I846-I924 HydrophobicContact CG2-CG1 4.45Å; K848-I924 HydrophobicContact CB-CG1 4.17Å; K848-I924 HydrophobicContact CB-CG2 4.13Å; K848-I924 HydrophobicContact CD-CG2 4.19Å; K848-I924 HydrophobicContact CG-CG2 4.29Å; K848-I924 WeakPolarHBondContact O-CA 3.34Å; V922-I924 HydrophobicContact CG1-CB 4.45Å; V922-I924 HydrophobicContact CG1-CD1 4.06Å; V922-I924 HydrophobicContact CG1-CG1 4.03Å; I924-S926 WeakPolarHBondContact CB-O 3.13Å; I924-S926 VanDerWaalsContact CG2-O 3.32Å; I924-S926 WeakPolarHBondContact CG2-O 3.42Å; I924-S926 PolarHBondContact O-N 3.11Å; I924-E927 HydrophobicContact CD1-CB 3.96Å; I924-E927 HydrophobicContact CG2-CB 4.06Å; I924-E927 HydrophobicContact CG2-CG 4.27Å; I924-E927 WeakPolarHBondContact CG2-OE1 3.45Å; I924-E927 WeakPolarHBondContact CG2-OE2 3.44Å; I924-T928 WeakPolarHBondContact CD1-O 3.01Å; I924-L959 VanDerWaalsContact CA-CD1 3.46Å; I924-L959 HydrophobicContact CB-CD1 3.84Å; I924-L959 HydrophobicContact CG1-CD1 3.96Å; I924-L959 HydrophobicContact CG1-CD2 4.2Å; I924-L959 HydrophobicContact CG2-CD1 3.73Å; I924-A961 HydrophobicContact CD1-CB 4.35Å; I924-A961 VanDerWaalsContact CD1-N 3.3Å; I924-V1022 PolarHBondContact N-O 3.29Å; I924-K1023 HydrophobicContact CB-CD 3.98Å; I924-K1023 HydrophobicContact CG1-CD 4.26Å; I924-K1023 VanDerWaalsContact CG1-NZ 3.32Å; I924-K1023 WeakPolarHBondContact O-CA 3.38Å; I924-K1023 WeakPolarHBondContact O-CB 3.42Å; I924-K1023 VanDerWaalsContact O-CG 3.25Å; I924-K1023 WeakPolarHBondContact O-CG 3.4Å; I924-T1024 PolarHBondContact O-N 2.97Å
925	N	48.9	Very low	45.4	Very low	48.5 Å²	48.5	61.7 Å²	61.7	26%	0.259	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	51.4	176.6	-53.6	11	0	0	0	110.8	K848 E849 Q850 T923 T1024 Q1025	K848-N925 PolarHBondContact NZ-OD1 3.12Å; K848-N925 PolarHBondContact O-N 3.02Å; K848-N925 PolarHBondContact O-ND2 2.8Å; K848-N925 PolarHBondContact O-OD1 2.73Å; E849-N925 VanDerWaalsContact C-OD1 3.31Å; E849-N925 PolarHBondContact O-OD1 2.94Å; Q850-N925 HydrophobicContact CB-CB 4.26Å; Q850-N925 PolarHBondContact N-O 3.07Å; Q850-N925 PolarHBondContact O-ND2 3.06Å; T923-N925 WeakPolarHBondContact CG2-OD1 3.06Å; N925-T1024 WeakPolarHBondContact CA-OG1 3.29Å; N925-T1024 VanDerWaalsContact CG-OG1 3.31Å; N925-T1024 PolarHBondContact O-OG1 2.93Å; N925-T1024 VanDerWaalsContact O-OG1 3.06Å; N925-T1024 PolarHBondContact OD1-OG1 3.04Å; N925-Q1025 CarbonylContact C-O 3.46Å; N925-Q1025 PolarHBondContact O-N 2.99Å; N925-Q1025 VanDerWaalsContact O-N 3.11Å
926	S	45.1	Very low	44	Very low	44 Å²	44	67.1 Å²	67.1	31%	0.308	37%	0.366	S	S	.	.	S	Bend	trans	-155	144.9	177.9	-6.7	0	0	0	0	111.9	Q850 I924 T1024 Q1025 S1026	Q850-S926 PolarHBondContact NE2-OG 3.21Å; Q850-S926 VanDerWaalsContact NE2-OG 3.14Å; Q850-S926 WeakPolarHBondContact O-CA 3.43Å; I924-S926 WeakPolarHBondContact CB-O 3.13Å; I924-S926 VanDerWaalsContact CG2-O 3.32Å; I924-S926 WeakPolarHBondContact CG2-O 3.42Å; I924-S926 PolarHBondContact O-N 3.11Å; S926-T1024 PolarHBondContact N-O 3.03Å; S926-T1024 VanDerWaalsContact N-O 3.09Å; S926-Q1025 WeakPolarHBondContact CA-O 3.41Å; S926-Q1025 VanDerWaalsContact O-CA 3.3Å; S926-Q1025 WeakPolarHBondContact O-CA 3.47Å; S926-Q1025 WeakPolarHBondContact O-CB 3.26Å; S926-S1026 PolarHBondContact O-N 3.5Å
927	E	41.3	Very low	42.8	Very low	109.75 Å²	109.75	70.6 Å²	70.6	51%	0.513	38%	0.384	S	S	.	.			trans	-151	159.1	170.1	-64.7	163.5	-171.9	0	0	112.6	K848 Q850 I852 I924 Q929 K1023 T1027 A1040	K848-E927 WeakPolarHBondContact CE-OE2 3.45Å; K848-E927 IonicContact NZ-OE1 3.67Å; K848-E927 PolarHBondContact NZ-OE1 3.03Å; K848-E927 IonicContact NZ-OE2 3.6Å; K848-E927 PolarHBondContact NZ-OE2 3.34Å; Q850-E927 PolarHBondContact NE2-OE1 3.12Å; Q850-E927 PolarHBondContact O-N 3.15Å; Q850-E927 VanDerWaalsContact O-N 3.08Å; I852-E927 PolarHBondContact N-O 2.96Å; I924-E927 HydrophobicContact CD1-CB 3.96Å; I924-E927 HydrophobicContact CG2-CB 4.06Å; I924-E927 HydrophobicContact CG2-CG 4.27Å; I924-E927 WeakPolarHBondContact CG2-OE1 3.45Å; I924-E927 WeakPolarHBondContact CG2-OE2 3.44Å; E927-Q929 PolarHBondContact O-N 3.04Å; E927-Q929 VanDerWaalsContact O-N 3.13Å; E927-K1023 PolarHBondContact O-NZ 2.9Å; E927-T1027 WeakPolarHBondContact O-CB 3.4Å; E927-T1027 WeakPolarHBondContact O-CG2 3.23Å; E927-T1027 PolarHBondContact O-OG1 3.49Å; E927-A1040 WeakPolarHBondContact O-CB 3.25Å
928	T	38.5	Very low	41.8	Very low	71.25 Å²	71.25	73.6 Å²	73.6	44%	0.437	40%	0.404	S	S	.	.			trans	-91.1	143.8	-176.3	-34.1	0	0	0	0	112.5	I924 A961 K1023 S1026 T1027 Q1028 H1038 T1039 A1040	I924-T928 WeakPolarHBondContact CD1-O 3.01Å; T928-A961 WeakPolarHBondContact O-CA 3.1Å; T928-A961 WeakPolarHBondContact OG1-CB 3.43Å; T928-K1023 PolarHBondContact O-NZ 2.99Å; T928-S1026 PolarHBondContact N-O 2.94Å; T928-T1027 WeakPolarHBondContact O-CA 3.42Å; T928-T1027 PolarHBondContact O-OG1 2.64Å; T928-T1027 VanDerWaalsContact O-OG1 3.13Å; T928-Q1028 PolarHBondContact O-N 3.46Å; T928-Q1028 VanDerWaalsContact O-N 3.1Å; T928-H1038 HydrophobicContact CG2-CB 4.08Å; T928-H1038 WeakPolarHBondContact CG2-CD2 3.49Å; T928-H1038 PolarHBondContact OG1-CD2 2.74Å; T928-H1038 VanDerWaalsContact OG1-CD2 3.23Å; T928-H1038 PolarHBondContact OG1-CE1 2.79Å; T928-H1038 PolarHBondContact OG1-NE2 2.9Å; T928-T1039 WeakPolarHBondContact CB-O 3.34Å; T928-T1039 WeakPolarHBondContact CG2-O 3.35Å; T928-A1040 HydrophobicContact CG2-CB 4.11Å
929	Q	36	Very low	40.8	Very low	62.5 Å²	62.5	74.5 Å²	74.5	29%	0.292	42%	0.422	S	S	.	.			trans	-134.6	111.9	169.5	-170.7	159.4	32.7	0	0	111.1	I852 Q853 E927 P931 V962 T1027 Q1028 T1029	I852-Q929 PolarHBondContact O-N 3.25Å; Q853-Q929 PolarHBondContact O-NE2 2.8Å; E927-Q929 PolarHBondContact O-N 3.04Å; E927-Q929 VanDerWaalsContact O-N 3.13Å; Q929-P931 VanDerWaalsContact O-CD 3.25Å; Q929-P931 WeakPolarHBondContact O-CD 3.09Å; Q929-V962 CarbonylContact C-O 3.58Å; Q929-V962 PolarHBondContact NE2-O 2.84Å; Q929-V962 CarbonylContact O-C 3.57Å; Q929-V962 VanDerWaalsContact O-O 3.05Å; Q929-T1027 WeakPolarHBondContact CB-O 3.34Å; Q929-T1027 PolarHBondContact N-OG1 2.88Å; Q929-Q1028 WeakPolarHBondContact CA-O 3.34Å; Q929-Q1028 HydrophobicContact CG-CB 4.47Å; Q929-T1029 WeakPolarHBondContact O-CB 3.25Å; Q929-T1029 PolarHBondContact O-OG1 2.75Å
930	T	36.8	Very low	40.3	Very low	75.75 Å²	75.75	78.3 Å²	78.3	47%	0.465	44%	0.438	S	S	.	.			trans	-118.2	120.9	179.9	-41.4	0	0	0	0	110	V962 V963 Q1028 T1029 I1030 F1037 H1038 E1067	T930-V962 WeakPolarHBondContact O-CA 3.5Å; T930-V963 HydrophobicContact CG2-CB 4.25Å; T930-V963 HydrophobicContact CG2-CG1 4.44Å; T930-Q1028 PolarHBondContact N-O 3.29Å; T930-T1029 HydrophobicContact CG2-CG2 4.05Å; T930-T1029 PolarHBondContact OG1-OG1 3.31Å; T930-I1030 PolarHBondContact O-N 2.8Å; T930-F1037 VanDerWaalsContact CB-O 3.26Å; T930-F1037 WeakPolarHBondContact CB-O 3.44Å; T930-F1037 WeakPolarHBondContact CG2-O 3.41Å; T930-H1038 PolarHBondContact O-CE1 2.67Å; T930-H1038 PolarHBondContact O-ND1 2.78Å; T930-E1067 WeakPolarHBondContact CG2-OE2 3.34Å
931	P	35.8	Very low	39.8	Very low	70 Å²	70	84.4 Å²	84.4	46%	0.455	46%	0.458	S	S	.	.			trans	-79.4	154.5	179.8	20	-15.5	0	0	0	114.5	T854 Q929 V962 V963 Y964 L1031	T854-P931 WeakPolarHBondContact O-CD 3.19Å; Q929-P931 VanDerWaalsContact O-CD 3.25Å; Q929-P931 WeakPolarHBondContact O-CD 3.09Å; P931-V962 HydrophobicContact CB-CB 4.28Å; P931-V962 HydrophobicContact CB-CG1 4.26Å; P931-V962 HydrophobicContact CB-CG2 4.11Å; P931-V962 VanDerWaalsContact CD-C 3.41Å; P931-V963 VanDerWaalsContact C-C 3.44Å; P931-V963 CarbonylContact C-O 3.57Å; P931-V963 WeakPolarHBondContact CA-O 3.41Å; P931-V963 HydrophobicContact CB-CB 3.92Å; P931-V963 WeakPolarHBondContact CB-O 3.41Å; P931-V963 HydrophobicContact CG-CB 3.76Å; P931-V963 VanDerWaalsContact O-CG1 3.22Å; P931-V963 WeakPolarHBondContact O-CG1 3.49Å; P931-Y964 HydrophobicContact CB-CD1 3.92Å; P931-Y964 HydrophobicContact CB-CD2 3.55Å; P931-Y964 HydrophobicContact CB-CE1 3.95Å; P931-Y964 HydrophobicContact CB-CE2 3.58Å; P931-Y964 HydrophobicContact CB-CG 3.71Å; P931-Y964 VanDerWaalsContact CB-N 3.31Å; P931-Y964 HydrophobicContact CG-CD2 4.45Å; P931-L1031 HydrophobicContact CG-CD1 4.04Å
932	H	32.4	Very low	39.1	Very low	130.5 Å²	130.5	89 Å²	89	60%	0.604	48%	0.481	S	S	*	.			trans	-110	98.5	-172.9	-163.6	-50.5	0	0	0	111.7	Q960 V962 V963 Y964 I1030 L1031 E1033	H932-Q960 PolarHBondContact CD2-OE1 2.85Å; H932-V962 HydrophobicContact CB-CG2 3.6Å; H932-V963 PolarHBondContact N-O 3.17Å; H932-Y964 HydrophobicContact CB-CE1 3.9Å; H932-I1030 PolarHBondContact N-O 3.41Å; H932-L1031 HydrophobicContact CB-CD1 4.18Å; H932-E1033 IonicContact CE1-OE1 2.65Å; H932-E1033 PolarHBondContact CE1-OE1 2.74Å; H932-E1033 IonicContact CE1-OE2 3.89Å; H932-E1033 PolarHBondContact CE1-OE2 3.38Å; H932-E1033 IonicContact ND1-OE2 2.73Å; H932-E1033 PolarHBondContact ND1-OE2 2.86Å; H932-E1033 VanDerWaalsContact ND1-OE2 3.11Å
933	E	30.1	Very low	38.2	Very low	113.5 Å²	113.5	90 Å²	90	53%	0.53	49%	0.492	S	S	.	.			trans	-96.6	121.1	-178.4	-171.9	-173.5	-171.4	0	0	111.8	R855 K935 V963 H965 S967	R855-E933 IonicContact NH2-OE2 3.98Å; E933-K935 HydrophobicContact CB-CB 4.17Å; E933-K935 HydrophobicContact CG-CB 4.09Å; E933-K935 PolarHBondContact O-N 3.05Å; E933-K935 VanDerWaalsContact O-N 3.08Å; E933-K935 IonicContact OE1-NZ 3.51Å; E933-K935 WeakPolarHBondContact OE2-CD 3.44Å; E933-K935 VanDerWaalsContact OE2-CE 3.27Å; E933-K935 WeakPolarHBondContact OE2-CE 3.42Å; E933-K935 WeakPolarHBondContact OE2-CG 3.41Å; E933-K935 IonicContact OE2-NZ 2.99Å; E933-K935 PolarHBondContact OE2-NZ 2.99Å; E933-V963 WeakPolarHBondContact CB-O 3.4Å; E933-V963 PolarHBondContact N-O 3.45Å; E933-H965 IonicContact OE2-CD2 2.71Å; E933-H965 PolarHBondContact OE2-CD2 3.33Å; E933-H965 IonicContact OE2-CG 3.9Å; E933-S967 PolarHBondContact OE1-OG 2.8Å
934	P	33.1	Very low	37.4	Very low	95 Å²	95	92.1 Å²	92.1	62%	0.617	51%	0.508	S	S	*	.			trans	-87.3	115.7	174.3	33.9	-32.4	0	0	0	112.9	I936 D968 E1032	P934-I936 WeakPolarHBondContact O-CG1 3.24Å; P934-I936 PolarHBondContact O-N 3.33Å; P934-D968 WeakPolarHBondContact CG-OD2 3.44Å; P934-E1032 WeakPolarHBondContact CD-O 3.5Å
935	K	32	Very low	36.6	Very low	140.5 Å²	140.5	94.3 Å²	94.3	61%	0.611	52%	0.523	S	S	*	.			trans	-77.3	140.2	-169.2	-133	173	-168.5	137.8	0	113.5	E933 I937 H965 P1035 M1036 E1067	E933-K935 HydrophobicContact CB-CB 4.17Å; E933-K935 HydrophobicContact CG-CB 4.09Å; E933-K935 PolarHBondContact O-N 3.05Å; E933-K935 VanDerWaalsContact O-N 3.08Å; E933-K935 IonicContact OE1-NZ 3.51Å; E933-K935 WeakPolarHBondContact OE2-CD 3.44Å; E933-K935 VanDerWaalsContact OE2-CE 3.27Å; E933-K935 WeakPolarHBondContact OE2-CE 3.42Å; E933-K935 WeakPolarHBondContact OE2-CG 3.41Å; E933-K935 IonicContact OE2-NZ 2.99Å; E933-K935 PolarHBondContact OE2-NZ 2.99Å; K935-I937 VanDerWaalsContact C-N 3.35Å; K935-I937 HydrophobicContact CB-CD1 4.46Å; K935-I937 HydrophobicContact CD-CD1 4.1Å; K935-I937 HydrophobicContact CG-CD1 4.05Å; K935-I937 HydrophobicContact CG-CG1 4.34Å; K935-I937 PolarHBondContact O-N 2.87Å; K935-I937 VanDerWaalsContact O-N 3.13Å; K935-H965 PolarHBondContact NZ-CD2 3.41Å; K935-H965 PolarHBondContact NZ-NE2 2.84Å; K935-P1035 HydrophobicContact CD-CB 4.44Å; K935-M1036 VanDerWaalsContact CD-O 3.24Å; K935-M1036 WeakPolarHBondContact CD-O 3.39Å; K935-E1067 VanDerWaalsContact CE-OE1 3.29Å; K935-E1067 WeakPolarHBondContact CE-OE1 3.37Å; K935-E1067 IonicContact NZ-OE1 2.68Å; K935-E1067 PolarHBondContact NZ-OE1 3.17Å
936	I	30.7	Very low	35.9	Very low	137 Å²	137	98.3 Å²	98.3	70%	0.703	54%	0.543	S	S	*	.			trans	-93.9	121.5	-175.8	-41.3	174	0	0	0	111.1	P934 T1071	P934-I936 WeakPolarHBondContact O-CG1 3.24Å; P934-I936 PolarHBondContact O-N 3.33Å; I936-T1071 HydrophobicContact CG2-CG2 4.35Å
937	I	35.2	Very low	35.6	Very low	106 Å²	106	100.8 Å²	100.8	54%	0.544	55%	0.549	S	S	.	.			trans	-112.5	138	-175.1	-57.8	175.8	0	0	0	111.5	K935 A939 F1037 T1071	K935-I937 VanDerWaalsContact C-N 3.35Å; K935-I937 HydrophobicContact CB-CD1 4.46Å; K935-I937 HydrophobicContact CD-CD1 4.1Å; K935-I937 HydrophobicContact CG-CD1 4.05Å; K935-I937 HydrophobicContact CG-CG1 4.34Å; K935-I937 PolarHBondContact O-N 2.87Å; K935-I937 VanDerWaalsContact O-N 3.13Å; I937-A939 VanDerWaalsContact C-N 3.32Å; I937-A939 PolarHBondContact O-N 3.16Å; I937-A939 VanDerWaalsContact O-N 3.13Å; I937-F1037 HydrophobicContact CD1-CD1 4.32Å; I937-F1037 HydrophobicContact CD1-CE1 3.59Å; I937-F1037 HydrophobicContact CD1-CZ 3.97Å; I937-F1037 HydrophobicContact CG2-CE1 4.48Å; I937-F1037 HydrophobicContact CG2-CZ 4.19Å; I937-T1071 WeakPolarHBondContact CA-OG1 3.49Å; I937-T1071 PolarHBondContact N-OG1 2.92Å; I937-T1071 WeakPolarHBondContact O-CG2 3.34Å; I937-T1071 PolarHBondContact O-OG1 3.03Å
938	P	34.2	Very low	35.4	Very low	94 Å²	94	99.8 Å²	99.8	61%	0.61	55%	0.545	S	S	*	.			trans	-80.5	128.8	179.3	5.5	2.2	0	0	0	114.7	I940 N1068 T1069	P938-I940 HydrophobicContact CB-CD1 4.49Å; P938-I940 HydrophobicContact CB-CG1 4.24Å; P938-I940 PolarHBondContact O-N 2.94Å; P938-I940 VanDerWaalsContact O-N 3.09Å; P938-N1068 HydrophobicContact CG-CB 4.24Å; P938-T1069 WeakPolarHBondContact CB-O 3.45Å
939	A	32.1	Very low	35.5	Very low	78.75 Å²	78.75	98.9 Å²	98.9	65%	0.651	54%	0.54	S	S	*	.			trans	-95.7	118.4	-175.2	0	0	0	0	0	114.5	I937 K941 H1038	I937-A939 VanDerWaalsContact C-N 3.32Å; I937-A939 PolarHBondContact O-N 3.16Å; I937-A939 VanDerWaalsContact O-N 3.13Å; A939-K941 PolarHBondContact O-N 3.08Å; A939-K941 VanDerWaalsContact O-N 3.16Å; A939-H1038 HydrophobicContact CB-CB 4.21Å
940	I	38.9	Very low	35.5	Very low	123.75 Å²	123.75	103 Å²	103	64%	0.635	56%	0.559	S	S	*	*			trans	-94.2	122.2	-180	-51.6	174.6	0	0	0	110.1	P938 A943	P938-I940 HydrophobicContact CB-CD1 4.49Å; P938-I940 HydrophobicContact CB-CG1 4.24Å; P938-I940 PolarHBondContact O-N 2.94Å; P938-I940 VanDerWaalsContact O-N 3.09Å; I940-A943 HydrophobicContact CG2-CB 4.22Å
941	K	38.1	Very low	35.4	Very low	146.5 Å²	146.5	105.8 Å²	105.8	64%	0.637	57%	0.567	S	S	*	*			trans	-95.8	57.8	-179.7	-72.6	-177.6	176.7	176.4	0	114.3	A939 H965 D968 A1040	A939-K941 PolarHBondContact O-N 3.08Å; A939-K941 VanDerWaalsContact O-N 3.16Å; K941-H965 PolarHBondContact O-CE1 3.5Å; K941-D968 IonicContact NZ-OD1 3.56Å; K941-D968 PolarHBondContact NZ-OD1 2.87Å; K941-D968 IonicContact NZ-OD2 2.68Å; K941-D968 PolarHBondContact NZ-OD2 3.3Å; K941-A1040 WeakPolarHBondContact O-CB 3.41Å
942	D	35.4	Very low	35.3	Very low	128 Å²	128	108 Å²	108	68%	0.684	58%	0.578	S	S	*	*			trans	-152.4	132	169.2	-98.3	-48.1	0	0	0	110.8
943	A	36.8	Very low	35.3	Very low	52 Å²	52	108.4 Å²	108.4	43%	0.43	58%	0.58	S	S	.	*			trans	-160.7	91.1	160.3	0	0	0	0	0	113.2	I940 V963 H965 V1042	I940-A943 HydrophobicContact CG2-CB 4.22Å; A943-V963 HydrophobicContact CB-CG1 4.3Å; A943-H965 WeakPolarHBondContact CB-NE2 3.48Å; A943-V1042 HydrophobicContact CB-CG2 4.37Å
944	S	35.8	Very low	35.5	Very low	75 Å²	75	106.7 Å²	106.7	52%	0.524	58%	0.577	S	S	.	*			trans	-127.9	160	-179.8	64.1	0	0	0	0	113.8	K881 S1043	K881-S944 PolarHBondContact NZ-O 2.89Å; S944-S1043 WeakPolarHBondContact CA-O 3.39Å
945	V	42.2	Very low	35.5	Very low	77 Å²	77	107.6 Å²	107.6	47%	0.467	58%	0.581	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-129.6	106.7	177.4	-177.1	0	0	0	0	112.4	K881 V963 S1043 I1045	K881-V945 PolarHBondContact NZ-O 2.95Å; V945-V963 HydrophobicContact CB-CG2 4.04Å; V945-V963 HydrophobicContact CG2-CB 4.49Å; V945-V963 HydrophobicContact CG2-CG1 4.09Å; V945-V963 HydrophobicContact CG2-CG2 3.66Å; V945-S1043 PolarHBondContact N-O 3.2Å; V945-S1043 VanDerWaalsContact N-O 3.13Å; V945-I1045 PolarHBondContact O-N 3.08Å
946	I	33.8	Very low	35.8	Very low	133 Å²	133	106.4 Å²	106.4	68%	0.682	58%	0.581	S	S	*	*			trans	-113.2	130.5	175.7	-57.1	175.9	0	0	0	108.9
947	H	38.8	Very low	36.2	Very low	96.75 Å²	96.75	105 Å²	105	45%	0.448	57%	0.57	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-142.2	114.4	-176.8	-161.6	-80.4	0	0	0	110.2	P949 H1046	H947-P949 WeakPolarHBondContact O-CD 3.42Å; H947-H1046 AromaticContact ND1-CD2 3.93Å; H947-H1046 AromaticContact ND1-CE1 3.83Å
948	E	36.1	Very low	36.3	Very low	89.75 Å²	89.75	104.3 Å²	104.3	42%	0.419	56%	0.563	S	S	.	*			trans	-115.8	108.8	155.3	-94.4	-141.2	150.5	0	0	110.7	K880 H950 K1049	K880-E948 WeakPolarHBondContact CE-OE1 3.44Å; K880-E948 IonicContact NZ-OE1 2.77Å; K880-E948 PolarHBondContact NZ-OE1 2.72Å; E948-H950 PolarHBondContact O-N 3.12Å; E948-H950 IonicContact OE2-NE2 3.32Å; E948-K1049 WeakPolarHBondContact OE1-CD 3.27Å; E948-K1049 WeakPolarHBondContact OE1-CE 3.35Å; E948-K1049 IonicContact OE1-NZ 2.78Å; E948-K1049 PolarHBondContact OE1-NZ 3.27Å; E948-K1049 IonicContact OE2-NZ 2.73Å; E948-K1049 PolarHBondContact OE2-NZ 2.89Å
949	P	41.4	Very low	36.5	Very low	51.25 Å²	51.25	102.1 Å²	102.1	33%	0.333	55%	0.546	S	S	.	.			trans	-87.5	120	179.4	32	-32.4	0	0	0	112.9	L882 H947 H951	L882-P949 HydrophobicContact CD1-CG 3.62Å; L882-P949 HydrophobicContact CD2-CG 4.02Å; L882-P949 HydrophobicContact CG-CG 4.49Å; H947-P949 WeakPolarHBondContact O-CD 3.42Å; P949-H951 PolarHBondContact O-N 3.06Å
950	H	36.7	Very low	36.9	Very low	148.5 Å²	148.5	102.2 Å²	102.2	69%	0.688	53%	0.533	S	S	*	.			trans	-97.7	111.7	175.4	-86.8	-86.2	0	0	0	112.1	K880 E948 V952	K880-H950 PolarHBondContact NZ-NE2 2.62Å; E948-H950 PolarHBondContact O-N 3.12Å; E948-H950 IonicContact OE2-NE2 3.32Å; H950-V952 PolarHBondContact O-N 2.97Å
951	H	34.4	Very low	36.7	Very low	136 Å²	136	97.7 Å²	97.7	63%	0.63	51%	0.514	S	S	*	.	S	Bend	trans	55.4	107.3	139.8	-132.8	73.3	0	0	0	118	P949	P949-H951 PolarHBondContact O-N 3.06Å
952	V	32.8	Very low	36.9	Very low	114.25 Å²	114.25	92.5 Å²	92.5	69%	0.692	49%	0.494	S	S	*	.			trans	-143.5	118	157.5	-172.9	0	0	0	0	112.5	H950 T954	H950-V952 PolarHBondContact O-N 2.97Å; V952-T954 HydrophobicContact CG1-CG2 4.17Å; V952-T954 PolarHBondContact O-N 3.11Å; V952-T954 VanDerWaalsContact O-N 3.09Å
953	H	32.2	Very low	37.2	Very low	140.5 Å²	140.5	88.3 Å²	88.3	65%	0.65	47%	0.473	S	S	*	.			trans	-83.1	140.2	160.8	-86.7	68.3	0	0	0	112.7	N956	H953-N956 PolarHBondContact NE2-ND2 3.24Å
954	T	34.2	Very low	37.2	Very low	76.5 Å²	76.5	93.4 Å²	93.4	47%	0.469	48%	0.483	S	S	.	.			trans	149.2	124.7	169.7	34.1	0	0	0	0	114.2	V952 K957 L1053	V952-T954 HydrophobicContact CG1-CG2 4.17Å; V952-T954 PolarHBondContact O-N 3.11Å; V952-T954 VanDerWaalsContact O-N 3.09Å; T954-K957 PolarHBondContact OG1-NZ 3.39Å; T954-L1053 WeakPolarHBondContact O-CD2 3.38Å
955	V	33	Very low	37.4	Very low	114.25 Å²	114.25	93.6 Å²	93.6	69%	0.692	48%	0.475	S	S	*	.			trans	-83.5	138.4	158.6	-164.3	0	0	0	0	112.8	K957	V955-K957 PolarHBondContact O-N 3.16Å
956	N	38.2	Very low	37.1	Very low	115.75 Å²	115.75	94.1 Å²	94.1	62%	0.619	48%	0.48	S	S	*	.			trans	36.1	71.8	174.3	-67.6	-32.7	0	0	0	116.2	H953	H953-N956 PolarHBondContact NE2-ND2 3.24Å
957	K	39.1	Very low	37.2	Very low	107.25 Å²	107.25	91.5 Å²	91.5	47%	0.466	47%	0.474	S	S	.	.			trans	-128.7	126.2	165	-70.7	-165.7	179.4	-173.9	0	111.2	Q847 T954 V955 D975 K1056	Q847-K957 CarbonylContact O-C 3.15Å; T954-K957 PolarHBondContact OG1-NZ 3.39Å; V955-K957 PolarHBondContact O-N 3.16Å; K957-D975 IonicContact NZ-OD1 2.68Å; K957-D975 PolarHBondContact NZ-OD1 2.86Å; K957-D975 IonicContact NZ-OD2 3.44Å; K957-D975 PolarHBondContact NZ-OD2 3.12Å; K957-K1056 WeakPolarHBondContact O-CG 3.38Å
958	K	38.1	Very low	36.7	Very low	92.25 Å²	92.25	92.5 Å²	92.5	40%	0.401	48%	0.482	S	S	.	.			trans	-98.2	110	174.5	-174.6	-173.4	164.5	-148.4	0	110.7	I845 I846 Q847 Q960 Q1059	I845-K958 PolarHBondContact O-NZ 2.91Å; I846-K958 CarbonylContact O-C 3.58Å; I846-K958 VanDerWaalsContact O-CA 3.25Å; I846-K958 WeakPolarHBondContact O-CA 3.4Å; I846-K958 WeakPolarHBondContact O-CB 3.13Å; I846-K958 VanDerWaalsContact O-CG 3.23Å; I846-K958 WeakPolarHBondContact O-CG 3.32Å; Q847-K958 HydrophobicContact CB-CD 4.3Å; Q847-K958 HydrophobicContact CB-CG 4.32Å; Q847-K958 PolarHBondContact O-N 3.11Å; K958-Q960 PolarHBondContact O-N 2.96Å; K958-Q1059 VanDerWaalsContact NZ-OE1 3.1Å
959	L	38.4	Very low	36.4	Very low	47 Å²	47	95 Å²	95	25%	0.246	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	131	175.2	-76.5	168.8	0	0	0	112.1	I846 Q847 K848 T923 I924 H1046 K1057 L1058 Q1059	I846-L959 HydrophobicContact CB-CD2 3.66Å; I846-L959 HydrophobicContact CD1-CD2 3.92Å; I846-L959 HydrophobicContact CG1-CD2 3.49Å; I846-L959 VanDerWaalsContact CG1-CD2 3.49Å; I846-L959 VanDerWaalsContact O-CD2 3.23Å; I846-L959 WeakPolarHBondContact O-CD2 3.26Å; I846-L959 WeakPolarHBondContact O-CG 3.42Å; I846-L959 PolarHBondContact O-N 3.07Å; I846-L959 VanDerWaalsContact O-N 3.09Å; Q847-L959 VanDerWaalsContact C-CG 3.47Å; K848-L959 HydrophobicContact CB-CB 3.92Å; K848-L959 HydrophobicContact CB-CD1 3.71Å; K848-L959 HydrophobicContact CB-CG 3.82Å; K848-L959 HydrophobicContact CD-CB 4.08Å; K848-L959 HydrophobicContact CD-CD1 3.64Å; K848-L959 HydrophobicContact CD-CG 4.33Å; K848-L959 HydrophobicContact CG-CB 4.24Å; K848-L959 HydrophobicContact CG-CD1 4.21Å; T923-L959 WeakPolarHBondContact O-CD1 3.49Å; T923-L959 WeakPolarHBondContact O-CD2 3.31Å; I924-L959 VanDerWaalsContact CA-CD1 3.46Å; I924-L959 HydrophobicContact CB-CD1 3.84Å; I924-L959 HydrophobicContact CG1-CD1 3.96Å; I924-L959 HydrophobicContact CG1-CD2 4.2Å; I924-L959 HydrophobicContact CG2-CD1 3.73Å; L959-H1046 WeakPolarHBondContact CD1-NE2 3.45Å; L959-K1057 PolarHBondContact N-O 2.83Å; L959-L1058 HydrophobicContact CB-CD1 3.89Å; L959-L1058 HydrophobicContact CD1-CD1 4.07Å; L959-Q1059 PolarHBondContact O-N 3.22Å
960	Q	40	Very low	35.7	Very low	81.75 Å²	81.75	98.5 Å²	98.5	38%	0.382	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	127	167.7	-164.8	178	-37.6	0	0	107.5	I846 H932 K958 V962 Q1059	I846-Q960 WeakPolarHBondContact CD1-O 3.02Å; H932-Q960 PolarHBondContact CD2-OE1 2.85Å; K958-Q960 PolarHBondContact O-N 2.96Å; Q960-V962 HydrophobicContact CB-CB 3.82Å; Q960-V962 HydrophobicContact CB-CG2 3.9Å; Q960-V962 HydrophobicContact CG-CG2 3.88Å; Q960-Q1059 WeakPolarHBondContact CA-O 3.42Å
961	A	35.1	Very low	35.2	Very low	27.75 Å²	27.75	96.4 Å²	96.4	23%	0.229	52%	0.52	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	114.7	150.9	0	0	0	0	0	109	I924 T928 V1044 Q1059 T1061	I924-A961 HydrophobicContact CD1-CB 4.35Å; I924-A961 VanDerWaalsContact CD1-N 3.3Å; T928-A961 WeakPolarHBondContact O-CA 3.1Å; T928-A961 WeakPolarHBondContact OG1-CB 3.43Å; A961-V1044 HydrophobicContact CB-CB 4.42Å; A961-V1044 HydrophobicContact CB-CG1 3.55Å; A961-V1044 HydrophobicContact CB-CG2 3.92Å; A961-Q1059 PolarHBondContact N-O 3.11Å; A961-T1061 PolarHBondContact O-N 2.82Å; A961-T1061 VanDerWaalsContact O-N 3.08Å
962	V	42.1	Very low	34.8	Very low	37 Å²	37	96.8 Å²	96.8	22%	0.224	53%	0.525	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	132	178.3	-179.7	0	0	0	0	108.9	I846 Q929 T930 P931 H932 Q960 Y964 T1061	I846-V962 HydrophobicContact CD1-CG1 4.06Å; Q929-V962 CarbonylContact C-O 3.58Å; Q929-V962 PolarHBondContact NE2-O 2.84Å; Q929-V962 CarbonylContact O-C 3.57Å; Q929-V962 VanDerWaalsContact O-O 3.05Å; T930-V962 WeakPolarHBondContact O-CA 3.5Å; P931-V962 HydrophobicContact CB-CB 4.28Å; P931-V962 HydrophobicContact CB-CG1 4.26Å; P931-V962 HydrophobicContact CB-CG2 4.11Å; P931-V962 VanDerWaalsContact CD-C 3.41Å; H932-V962 HydrophobicContact CB-CG2 3.6Å; Q960-V962 HydrophobicContact CB-CB 3.82Å; Q960-V962 HydrophobicContact CB-CG2 3.9Å; Q960-V962 HydrophobicContact CG-CG2 3.88Å; V962-Y964 HydrophobicContact CB-CD2 4.46Å; V962-Y964 HydrophobicContact CB-CE2 4.03Å; V962-Y964 HydrophobicContact CG1-CD2 3.88Å; V962-Y964 HydrophobicContact CG1-CE1 4.36Å; V962-Y964 HydrophobicContact CG1-CE2 3.33Å; V962-T1061 VanDerWaalsContact CA-O 3.27Å; V962-T1061 WeakPolarHBondContact CA-O 3.36Å; V962-T1061 WeakPolarHBondContact CG1-O 3.41Å
963	V	42.8	Very low	34.4	Very low	41 Å²	41	98.7 Å²	98.7	25%	0.248	53%	0.527	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	121.2	179.2	166.1	0	0	0	0	112.6	T930 P931 H932 E933 A943 V945 V1042 V1044 T1061 I1062 G1063 E1067	T930-V963 HydrophobicContact CG2-CB 4.25Å; T930-V963 HydrophobicContact CG2-CG1 4.44Å; P931-V963 VanDerWaalsContact C-C 3.44Å; P931-V963 CarbonylContact C-O 3.57Å; P931-V963 WeakPolarHBondContact CA-O 3.41Å; P931-V963 HydrophobicContact CB-CB 3.92Å; P931-V963 WeakPolarHBondContact CB-O 3.41Å; P931-V963 HydrophobicContact CG-CB 3.76Å; P931-V963 VanDerWaalsContact O-CG1 3.22Å; P931-V963 WeakPolarHBondContact O-CG1 3.49Å; H932-V963 PolarHBondContact N-O 3.17Å; E933-V963 WeakPolarHBondContact CB-O 3.4Å; E933-V963 PolarHBondContact N-O 3.45Å; A943-V963 HydrophobicContact CB-CG1 4.3Å; V945-V963 HydrophobicContact CB-CG2 4.04Å; V945-V963 HydrophobicContact CG2-CB 4.49Å; V945-V963 HydrophobicContact CG2-CG1 4.09Å; V945-V963 HydrophobicContact CG2-CG2 3.66Å; V963-V1042 HydrophobicContact CB-CG1 3.48Å; V963-V1042 VanDerWaalsContact CB-CG1 3.48Å; V963-V1042 HydrophobicContact CG1-CG1 3.44Å; V963-V1042 VanDerWaalsContact CG1-CG1 3.44Å; V963-V1042 HydrophobicContact CG2-CG1 4.26Å; V963-V1044 HydrophobicContact CG2-CG2 3.62Å; V963-T1061 PolarHBondContact N-O 3.13Å; V963-I1062 HydrophobicContact CB-CG1 4.49Å; V963-G1063 PolarHBondContact O-N 2.97Å; V963-E1067 WeakPolarHBondContact CG2-OE2 3.37Å
964	Y	36.5	Very low	34.1	Very low	159 Å²	159	97.3 Å²	97.3	62%	0.624	53%	0.529	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.5	142.2	177.5	-66.4	-73.1	0	0	0	109	P931 H932 V962 G1063	P931-Y964 HydrophobicContact CB-CD1 3.92Å; P931-Y964 HydrophobicContact CB-CD2 3.55Å; P931-Y964 HydrophobicContact CB-CE1 3.95Å; P931-Y964 HydrophobicContact CB-CE2 3.58Å; P931-Y964 HydrophobicContact CB-CG 3.71Å; P931-Y964 VanDerWaalsContact CB-N 3.31Å; P931-Y964 HydrophobicContact CG-CD2 4.45Å; H932-Y964 HydrophobicContact CB-CE1 3.9Å; V962-Y964 HydrophobicContact CB-CD2 4.46Å; V962-Y964 HydrophobicContact CB-CE2 4.03Å; V962-Y964 HydrophobicContact CG1-CD2 3.88Å; V962-Y964 HydrophobicContact CG1-CE1 4.36Å; V962-Y964 HydrophobicContact CG1-CE2 3.33Å; Y964-G1063 WeakPolarHBondContact CA-O 3.22Å
965	H	39.6	Very low	33.8	Very low	78.25 Å²	78.25	99.4 Å²	99.4	36%	0.362	54%	0.537	S	S	.	.			trans	-116.8	120.6	166.3	-121.9	-76.8	0	0	0	108.1	E933 K935 K941 A943 S967 E1033 D1041	E933-H965 IonicContact OE2-CD2 2.71Å; E933-H965 PolarHBondContact OE2-CD2 3.33Å; E933-H965 IonicContact OE2-CG 3.9Å; K935-H965 PolarHBondContact NZ-CD2 3.41Å; K935-H965 PolarHBondContact NZ-NE2 2.84Å; K941-H965 PolarHBondContact O-CE1 3.5Å; A943-H965 WeakPolarHBondContact CB-NE2 3.48Å; H965-S967 WeakPolarHBondContact CB-OG 3.39Å; H965-S967 PolarHBondContact O-N 2.88Å; H965-S967 PolarHBondContact O-OG 3.13Å; H965-E1033 VanDerWaalsContact CE1-CG 3.44Å; H965-E1033 WeakPolarHBondContact CE1-CG 3.5Å; H965-E1033 IonicContact CE1-OE1 2.69Å; H965-E1033 IonicContact CG-OE1 3.06Å; H965-E1033 WeakPolarHBondContact ND1-CG 3.43Å; H965-E1033 IonicContact ND1-OE1 2.7Å; H965-E1033 PolarHBondContact ND1-OE1 2.94Å; H965-D1041 PolarHBondContact NE2-O 2.88Å
966	P	36.3	Very low	33.5	Very low	87.75 Å²	87.75	101.8 Å²	101.8	57%	0.57	54%	0.54	S	S	*	.			trans	-84.4	127.7	171.2	33.2	-31.7	0	0	0	110.8	K910 D968	K910-P966 PolarHBondContact NZ-O 2.9Å; P966-D968 VanDerWaalsContact C-N 3.32Å; P966-D968 WeakPolarHBondContact CB-OD2 3.5Å; P966-D968 PolarHBondContact O-N 2.92Å; P966-D968 VanDerWaalsContact O-N 3.1Å
967	S	34.5	Very low	33	Very low	79.25 Å²	79.25	101.9 Å²	101.9	55%	0.554	55%	0.545	S	S	*	.			trans	-94.4	36.9	174	-83.6	0	0	0	0	111.4	K910 E933 H965 D969	K910-S967 PolarHBondContact NZ-O 3.09Å; E933-S967 PolarHBondContact OE1-OG 2.8Å; H965-S967 WeakPolarHBondContact CB-OG 3.39Å; H965-S967 PolarHBondContact O-N 2.88Å; H965-S967 PolarHBondContact O-OG 3.13Å; S967-D969 PolarHBondContact O-N 3.2Å; S967-D969 VanDerWaalsContact O-N 3.1Å
968	D	30.2	Very low	32.4	Very low	117 Å²	117	102.4 Å²	102.4	63%	0.626	56%	0.557	S	S	*	*			trans	-61.8	130.2	-171.5	-46.9	-71.6	0	0	0	114.7	K910 P934 K941 P966 C971	K910-D968 PolarHBondContact NZ-O 3.5Å; P934-D968 WeakPolarHBondContact CG-OD2 3.44Å; K941-D968 IonicContact NZ-OD1 3.56Å; K941-D968 PolarHBondContact NZ-OD1 2.87Å; K941-D968 IonicContact NZ-OD2 2.68Å; K941-D968 PolarHBondContact NZ-OD2 3.3Å; P966-D968 VanDerWaalsContact C-N 3.32Å; P966-D968 WeakPolarHBondContact CB-OD2 3.5Å; P966-D968 PolarHBondContact O-N 2.92Å; P966-D968 VanDerWaalsContact O-N 3.1Å; D968-C971 PolarHBondContact OD1-SG 2.76Å
969	D	28.9	Very low	32	Very low	143.5 Å²	143.5	104 Å²	104	77%	0.767	58%	0.575	S	S	*	*			trans	-137.8	109.7	162.6	-114.4	-26.1	0	0	0	113.3	K910 S967	K910-D969 WeakPolarHBondContact CE-OD2 3.48Å; K910-D969 IonicContact NZ-OD2 2.75Å; S967-D969 PolarHBondContact O-N 3.2Å; S967-D969 VanDerWaalsContact O-N 3.1Å
970	V	26.6	Very low	31.4	Very low	124.5 Å²	124.5	110.1 Å²	110.1	76%	0.755	60%	0.602	S	S	*	*			trans	152.5	107.1	157.7	168.9	0	0	0	0	114.6	L972	V970-L972 PolarHBondContact O-N 2.86Å
971	C	27.1	Very low	31	Very low	104.25 Å²	104.25	111.7 Å²	111.7	70%	0.704	62%	0.619	S	S	*	*			trans	-133.7	121.5	152.4	-115.3	0	0	0	0	116.4	K891 T893 D968 Q973	K891-C971 PolarHBondContact NZ-O 2.87Å; T893-C971 WeakPolarHBondContact CG2-O 3.47Å; T893-C971 PolarHBondContact OG1-O 2.81Å; D968-C971 PolarHBondContact OD1-SG 2.76Å; C971-Q973 PolarHBondContact O-N 3.28Å
972	L	24.4	Very low	30.8	Very low	143 Å²	143	116.6 Å²	116.6	75%	0.749	65%	0.646	S	S	*	*			trans	-72.1	137.2	161.1	-66.3	176.3	0	0	0	113.2	K891 T893 V970 T974	K891-L972 PolarHBondContact NZ-O 3.46Å; T893-L972 HydrophobicContact CG2-CD2 4.31Å; V970-L972 PolarHBondContact O-N 2.86Å; L972-T974 PolarHBondContact O-N 3.17Å
973	Q	24.8	Very low	30.2	Very low	154.75 Å²	154.75	123.8 Å²	123.8	72%	0.723	67%	0.674	S	S	*	*				-143.7	134.8	82.8	-169.4	174.8	-42.2	0	0	112.1	E898 C971	E898-Q973 VanDerWaalsContact CD-NE2 3.34Å; E898-Q973 PolarHBondContact OE1-NE2 3.38Å; E898-Q973 VanDerWaalsContact OE1-NE2 3.1Å; C971-Q973 PolarHBondContact O-N 3.28Å
974	T	26.4	Very low	29.6	Very low	112.25 Å²	112.25	127.4 Å²	127.4	69%	0.689	70%	0.698	S	S	*	*			trans	2	144.9	163.2	-40.1	0	0	0	0	115	E898 L972	E898-T974 HydrophobicContact CG-CG2 4.3Å; L972-T974 PolarHBondContact O-N 3.17Å
975	D	26.9	Very low	29.3	Very low	119.5 Å²	119.5	125.9 Å²	125.9	64%	0.639	71%	0.706	S	S	*	*			trans	-90	131.2	-177	-100.2	0	0	0	0	112.6	T897 E898 K957 V977	T897-D975 VanDerWaalsContact CA-OD1 3.29Å; T897-D975 WeakPolarHBondContact CA-OD1 3.27Å; E898-D975 PolarHBondContact N-OD1 3.09Å; K957-D975 IonicContact NZ-OD1 2.68Å; K957-D975 PolarHBondContact NZ-OD1 2.86Å; K957-D975 IonicContact NZ-OD2 3.44Å; K957-D975 PolarHBondContact NZ-OD2 3.12Å; D975-V977 WeakPolarHBondContact OD1-CG2 3.47Å
976	E	26.7	Very low	28.9	Very low	164.75 Å²	164.75	127.8 Å²	127.8	77%	0.77	73%	0.725	S	S	*	*			trans	-116.4	140.8	142	-144.9	-161.9	159.3	0	0	110	T897 T978	T897-E976 HydrophobicContact CG2-CB 4.22Å; T897-E976 HydrophobicContact CG2-CG 3.85Å; E976-T978 PolarHBondContact OE1-N 2.89Å
977	V	27.7	Very low	28.5	Very low	118 Å²	118	132.6 Å²	132.6	72%	0.715	74%	0.74	S	S	*	*			trans	-165.4	95.5	154.1	174.7	0	0	0	0	110.8	D975	D975-V977 WeakPolarHBondContact OD1-CG2 3.47Å
978	T	27.4	Very low	28.2	Very low	118.25 Å²	118.25	132.5 Å²	132.5	73%	0.725	74%	0.744	S	S	*	*			trans	63.5	125	159.1	2.2	0	0	0	0	117.8	E976	E976-T978 PolarHBondContact OE1-N 2.89Å
979	V	29.3	Very low	28	Very low	126.25 Å²	126.25	136.6 Å²	136.6	77%	0.765	76%	0.756	S	S	*	*				-155.8	140.4	60.2	-172.3	0	0	0	0	114.2
980	Q	27	Very low	28	Very low	174.5 Å²	174.5	134.6 Å²	134.6	82%	0.815	75%	0.754	S	S	*	*			trans	-15.6	159.8	158.9	-68.2	177.5	46.5	0	0	117.6
981	P	29.8	Very low	28.1	Very low	114.75 Å²	114.75	139.8 Å²	139.8	75%	0.745	76%	0.76	S	S	*	*			cis	-133.7	172.1	35.7	34.1	-13.2	0	0	0	116.5
982	V	31.2	Very low	28.1	Very low	131.25 Å²	131.25	138.8 Å²	138.8	80%	0.795	76%	0.759	S	S	*	*			trans	145.2	106.9	132	-172.6	0	0	0	0	116.6
983	K	30.2	Very low	28.4	Very low	188 Å²	188	137.6 Å²	137.6	82%	0.817	76%	0.76	S	S	*	*			trans	-5.5	154.9	153.2	-96.9	-174.7	176.5	177.9	0	116
984	P	30	Very low	28.5	Very low	116 Å²	116	138.4 Å²	138.4	75%	0.753	76%	0.764	S	S	*	*				-132.1	178.6	111.8	41.7	-26.6	0	0	0	115.3
985	V	30	Very low	28.7	Very low	128.5 Å²	128.5	138.9 Å²	138.9	78%	0.779	77%	0.766	S	S	*	*			trans	165.8	135.1	158.8	162.9	0	0	0	0	111.3	Q987	V985-Q987 PolarHBondContact O-N 2.95Å
986	P	30.6	Very low	28.6	Very low	118.5 Å²	118.5	141.3 Å²	141.3	77%	0.769	77%	0.774	S	S	*	*			trans	-98.5	161.2	-176.8	37.3	-34.2	0	0	0	114
987	Q	28	Very low	28.7	Very low	187.25 Å²	187.25	141.6 Å²	141.6	88%	0.875	78%	0.775	S	S	*	*			trans	-162.9	137.8	162	-145.4	169.5	-3.2	0	0	112	V985	V985-Q987 PolarHBondContact O-N 2.95Å
988	A	28.3	Very low	28.7	Very low	78.75 Å²	78.75	144.9 Å²	144.9	65%	0.651	78%	0.78	S	S	*	*			trans	119.3	128.2	151.6	0	0	0	0	0	117.9	S990	A988-S990 PolarHBondContact O-N 2.97Å; A988-S990 PolarHBondContact O-OG 3.21Å
989	F	26.2	Very low	28.6	Very low	201.5 Å²	201.5	148 Å²	148	88%	0.884	79%	0.786	S	S	*	*			trans	44.4	120.4	139.2	-80.5	-99.9	0	0	0	119.2
990	S	28.9	Very low	28.4	Very low	102.25 Å²	102.25	148.1 Å²	148.1	72%	0.715	79%	0.787	S	S	*	*				95.3	114.7	129.3	-62.9	0	0	0	0	117.2	A988	A988-S990 PolarHBondContact O-N 2.97Å; A988-S990 PolarHBondContact O-OG 3.21Å
991	R	29.4	Very low	28.2	Very low	232.75 Å²	232.75	148.7 Å²	148.7	88%	0.878	79%	0.79	S	S	*	*				128.5	124.5	104.1	-168.1	177.8	-177.7	178.2	0.5	114.3
992	A	26.8	Very low	27.9	Very low	83 Å²	83	147.4 Å²	147.4	69%	0.686	79%	0.789	S	S	*	*			trans	-78.2	168.9	167.1	0	0	0	0	0	112.1
993	P	31.3	Very low	27.6	Very low	118.75 Å²	118.75	149.7 Å²	149.7	77%	0.771	79%	0.791	S	S	*	*				-114.2	169.8	124.7	24	-7.1	0	0	0	114.3
994	Q	27.3	Very low	27.3	Very low	172.25 Å²	172.25	150.9 Å²	150.9	81%	0.805	79%	0.79	S	S	*	*			trans	-50.3	148.5	153.8	-72.8	-172.1	-32	0	0	114.3
995	V	29.2	Very low	27.3	Very low	121.25 Å²	121.25	151.9 Å²	151.9	74%	0.735	79%	0.789	S	S	*	*				-152.3	146.5	104.7	-153	0	0	0	0	109.1	H997	V995-H997 PolarHBondContact O-N 3.46Å
996	E	26.1	Very low	27.4	Very low	170 Å²	170	154.8 Å²	154.8	79%	0.794	79%	0.791	S	S	*	*				-142.7	134.1	103.8	-156.2	-178.4	166.6	0	0	112.5	K998	E996-K998 PolarHBondContact O-N 2.99Å; E996-K998 WeakPolarHBondContact OE1-CE 3.47Å; E996-K998 IonicContact OE1-NZ 3.73Å; E996-K998 PolarHBondContact OE1-NZ 2.95Å; E996-K998 IonicContact OE2-NZ 3.46Å; E996-K998 PolarHBondContact OE2-NZ 2.88Å
997	H	28.1	Very low	27.3	Very low	172 Å²	172	153.3 Å²	153.3	80%	0.796	78%	0.78	S	S	*	*			trans	-79.5	127.4	179.8	-98	-109.8	0	0	0	112.9	V995 Q999	V995-H997 PolarHBondContact O-N 3.46Å; H997-Q999 PolarHBondContact O-N 2.71Å
998	K	26.9	Very low	27.7	Very low	187.75 Å²	187.75	151.5 Å²	151.5	82%	0.816	77%	0.769	S	S	*	*			trans	-125.1	112.2	155.2	-76.4	-168	175.9	171.4	0	111.7	E996 T1000	E996-K998 PolarHBondContact O-N 2.99Å; E996-K998 WeakPolarHBondContact OE1-CE 3.47Å; E996-K998 IonicContact OE1-NZ 3.73Å; E996-K998 PolarHBondContact OE1-NZ 2.95Å; E996-K998 IonicContact OE2-NZ 3.46Å; E996-K998 PolarHBondContact OE2-NZ 2.88Å; K998-T1000 PolarHBondContact O-N 2.87Å; K998-T1000 VanDerWaalsContact O-N 3.16Å; K998-T1000 PolarHBondContact O-OG1 2.85Å
999	Q	25.7	Very low	28.1	Very low	182.5 Å²	182.5	150.7 Å²	150.7	85%	0.853	76%	0.756	S	S	*	*			trans	-71.3	114.2	168	-173.2	177.7	0.6	0	0	113	H997	H997-Q999 PolarHBondContact O-N 2.71Å
1000	T	24.6	Very low	29.4	Very low	129.25 Å²	129.25	145.6 Å²	145.6	79%	0.793	73%	0.734	S	S	*	*			trans	-103.8	124.9	172.5	-52.4	0	0	0	0	110	K998	K998-T1000 PolarHBondContact O-N 2.87Å; K998-T1000 VanDerWaalsContact O-N 3.16Å; K998-T1000 PolarHBondContact O-OG1 2.85Å
1001	Q	23.2	Very low	29.9	Very low	186.2 Å²	186.2	143.3 Å²	143.3	87%	0.87	72%	0.715	S	S	*	*			trans	-91.4	135.8	161.1	-175.1	174.8	30.8	0	0	110.2	E1003	Q1001-E1003 PolarHBondContact O-N 2.92Å
1002	A	23.9	Very low	31.3	Very low	88.6 Å²	88.6	134 Å²	134	73%	0.732	68%	0.681	S	S	*	*			trans	-108.5	143.1	-177.9	0	0	0	0	0	111.3	W1004	A1002-W1004 PolarHBondContact O-N 3.39Å
1003	E	24.4	Very low	33	Very low	179.6 Å²	179.6	133.4 Å²	133.4	84%	0.839	67%	0.666	S	S	*	*			trans	-105.2	141.6	170.2	-147	-168.4	160	0	0	110.5	Q1001 L1005 K1006	Q1001-E1003 PolarHBondContact O-N 2.92Å; E1003-L1005 PolarHBondContact O-N 3.15Å; E1003-K1006 IonicContact OE1-NZ 2.92Å; E1003-K1006 PolarHBondContact OE1-NZ 3.4Å; E1003-K1006 IonicContact OE2-NZ 2.72Å; E1003-K1006 PolarHBondContact OE2-NZ 2.95Å
1004	W	25.3	Very low	34.4	Very low	211.2 Å²	211.2	130.2 Å²	130.2	80%	0.8	64%	0.642	S	S	*	*			trans	-90.4	139.2	-176	-82.6	64.6	0	0	0	112.7	A1002 K1006 P1080 V1082 V1155	A1002-W1004 PolarHBondContact O-N 3.39Å; W1004-K1006 PolarHBondContact O-N 3.17Å; W1004-K1006 VanDerWaalsContact O-N 3.16Å; W1004-K1006 PolarHBondContact O-NZ 2.87Å; W1004-P1080 HydrophobicContact CE3-CB 4.32Å; W1004-P1080 HydrophobicContact CH2-CB 3.32Å; W1004-P1080 HydrophobicContact CH2-CG 3.96Å; W1004-P1080 HydrophobicContact CZ2-CB 3.72Å; W1004-P1080 HydrophobicContact CZ2-CG 3.81Å; W1004-P1080 HydrophobicContact CZ3-CB 3.65Å; W1004-V1082 HydrophobicContact CE3-CG2 3.75Å; W1004-V1082 HydrophobicContact CZ3-CG2 3.63Å; W1004-V1155 HydrophobicContact CH2-CB 4.16Å; W1004-V1155 HydrophobicContact CH2-CG1 3.97Å; W1004-V1155 HydrophobicContact CH2-CG2 4.15Å; W1004-V1155 HydrophobicContact CZ2-CG1 4.27Å; W1004-V1155 HydrophobicContact CZ2-CG2 4.17Å
1005	L	29.6	Very low	36.2	Very low	138.8 Å²	138.8	123.6 Å²	123.6	73%	0.727	61%	0.612	S	S	*	*			trans	-68.5	123.7	179.4	-110.4	73.2	0	0	0	112	E1003 T1007 V1079 T1081	E1003-L1005 PolarHBondContact O-N 3.15Å; L1005-T1007 PolarHBondContact O-N 3.22Å; L1005-T1007 VanDerWaalsContact O-N 3.13Å; L1005-V1079 HydrophobicContact CD2-CG1 4.23Å; L1005-T1081 HydrophobicContact CD2-CG2 4.09Å
1006	K	31.1	Very low	37.5	Very low	188.6 Å²	188.6	118.8 Å²	118.8	82%	0.82	58%	0.584	S	S	*	*			trans	-73.3	116.9	165	-89.3	166.8	-177.2	176.8	0	109.6	E1003 W1004 K1008	E1003-K1006 IonicContact OE1-NZ 2.92Å; E1003-K1006 PolarHBondContact OE1-NZ 3.4Å; E1003-K1006 IonicContact OE2-NZ 2.72Å; E1003-K1006 PolarHBondContact OE2-NZ 2.95Å; W1004-K1006 PolarHBondContact O-N 3.17Å; W1004-K1006 VanDerWaalsContact O-N 3.16Å; W1004-K1006 PolarHBondContact O-NZ 2.87Å; K1006-K1008 PolarHBondContact O-N 3.19Å; K1006-K1008 VanDerWaalsContact O-N 3.08Å
1007	T	29.9	Very low	38.9	Very low	86.8 Å²	86.8	112.9 Å²	112.9	53%	0.533	56%	0.557	S	S	.	*			trans	-81.7	147.8	180	45.5	0	0	0	0	111.5	L1005 T1009 V1082 L1083	L1005-T1007 PolarHBondContact O-N 3.22Å; L1005-T1007 VanDerWaalsContact O-N 3.13Å; T1007-T1009 VanDerWaalsContact C-N 3.32Å; T1007-T1009 PolarHBondContact O-N 2.94Å; T1007-V1082 HydrophobicContact CG2-CB 4.08Å; T1007-V1082 HydrophobicContact CG2-CG1 3.96Å; T1007-V1082 VanDerWaalsContact CG2-O 3.26Å; T1007-V1082 WeakPolarHBondContact CG2-O 3.43Å; T1007-L1083 WeakPolarHBondContact CB-O 3.45Å; T1007-L1083 WeakPolarHBondContact CG2-O 3.38Å; T1007-L1083 PolarHBondContact OG1-O 2.95Å
1008	K	36.2	Very low	40.1	Very low	149.6 Å²	149.6	106.6 Å²	106.6	65%	0.65	53%	0.532	S	S	*	.			trans	-98.9	120.4	-171.4	-86.1	-168.9	157.3	-166.6	0	111.6	K910 P911 K1006 K1010 P1084	K910-K1008 PolarHBondContact NZ-O 2.92Å; K910-K1008 PolarHBondContact O-NZ 2.83Å; P911-K1008 PolarHBondContact O-NZ 2.73Å; K1006-K1008 PolarHBondContact O-N 3.19Å; K1006-K1008 VanDerWaalsContact O-N 3.08Å; K1008-K1010 PolarHBondContact O-N 3.01Å; K1008-P1084 HydrophobicContact CB-CB 4.44Å; K1008-P1084 VanDerWaalsContact O-CA 3.25Å; K1008-P1084 WeakPolarHBondContact O-CA 3.45Å; K1008-P1084 WeakPolarHBondContact O-CB 3.29Å; K1008-P1084 WeakPolarHBondContact O-CG 3.19Å
1009	T	36.9	Very low	41.4	Very low	62.4 Å²	62.4	98.4 Å²	98.4	38%	0.383	50%	0.502	S	S	.	.			trans	-59.8	142.6	171.3	-27.5	0	0	0	0	112	K910 T1007 T1011 K1085 T1087	K910-T1009 PolarHBondContact NZ-O 3.28Å; T1007-T1009 VanDerWaalsContact C-N 3.32Å; T1007-T1009 PolarHBondContact O-N 2.94Å; T1009-T1011 HydrophobicContact CG2-CG2 4.03Å; T1009-T1011 PolarHBondContact OG1-OG1 2.76Å; T1009-K1085 CarbonylContact C-O 3.39Å; T1009-K1085 VanDerWaalsContact CA-O 3.3Å; T1009-K1085 WeakPolarHBondContact CA-O 3.32Å; T1009-K1085 HydrophobicContact CG2-CB 4.39Å; T1009-K1085 WeakPolarHBondContact CG2-O 3.47Å; T1009-T1087 HydrophobicContact CG2-CG2 4.48Å
1010	K	51.7	Low	42.7	Very low	94.4 Å²	94.4	92.1 Å²	92.1	41%	0.41	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	129.8	153.1	-77.3	-173.1	176.8	-176.7	0	107.8	K1008 F1012 E1033 P1084 K1085 T1086 T1087	K1008-K1010 PolarHBondContact O-N 3.01Å; K1010-F1012 HydrophobicContact CB-CD2 4.4Å; K1010-F1012 HydrophobicContact CB-CE2 4.09Å; K1010-F1012 HydrophobicContact CD-CE2 4.14Å; K1010-F1012 HydrophobicContact CD-CZ 3.98Å; K1010-F1012 HydrophobicContact CG-CE2 4.46Å; K1010-E1033 WeakPolarHBondContact CE-OE2 3.5Å; K1010-E1033 IonicContact NZ-OE1 2.77Å; K1010-E1033 IonicContact NZ-OE2 2.66Å; K1010-E1033 PolarHBondContact NZ-OE2 2.88Å; K1010-P1084 HydrophobicContact CD-CG 4.47Å; K1010-P1084 HydrophobicContact CG-CB 4.47Å; K1010-P1084 HydrophobicContact CG-CG 4.2Å; K1010-K1085 PolarHBondContact N-O 2.96Å; K1010-K1085 VanDerWaalsContact N-O 3.15Å; K1010-T1086 HydrophobicContact CB-CG2 4.28Å; K1010-T1086 HydrophobicContact CD-CG2 4.35Å; K1010-T1086 CarbonylContact O-C 3.46Å; K1010-T1086 WeakPolarHBondContact O-CA 3.34Å; K1010-T1087 PolarHBondContact O-N 2.98Å; K1010-T1087 VanDerWaalsContact O-N 3.16Å
1011	T	40.8	Very low	44.4	Very low	54 Å²	54	87.5 Å²	87.5	33%	0.331	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	147.1	169.2	49.8	0	0	0	0	108.3	D914 T1009 D1013 T1087	D914-T1011 WeakPolarHBondContact CA-O 3.03Å; D914-T1011 WeakPolarHBondContact OD1-CB 3.45Å; D914-T1011 PolarHBondContact OD1-OG1 2.85Å; T1009-T1011 HydrophobicContact CG2-CG2 4.03Å; T1009-T1011 PolarHBondContact OG1-OG1 2.76Å; T1011-D1013 WeakPolarHBondContact CB-OD1 3.25Å; T1011-D1013 PolarHBondContact OG1-OD1 2.99Å; T1011-D1013 PolarHBondContact OG1-OD2 3.2Å; T1011-T1087 VanDerWaalsContact CA-OG1 3.3Å; T1011-T1087 WeakPolarHBondContact CA-OG1 3.39Å; T1011-T1087 HydrophobicContact CG2-CG2 4.46Å; T1011-T1087 WeakPolarHBondContact CG2-OG1 3.01Å
1012	F	58.7	Low	46.1	Very low	37.8 Å²	37.8	81.2 Å²	81.2	17%	0.166	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	110.4	169.7	-65.8	-83.3	0	0	0	107.5	F913 D914 Q916 K1010 I1014 Q1015 T1086 T1087 F1088 D1089 V1090	F913-F1012 HydrophobicContact CB-CD1 4.4Å; F913-F1012 HydrophobicContact CD2-CE1 4.31Å; F913-F1012 WeakPolarHBondContact O-CE1 3.47Å; D914-F1012 CarbonylContact O-C 3.36Å; D914-F1012 WeakPolarHBondContact O-CA 3.38Å; Q916-F1012 HydrophobicContact CB-CD1 4.38Å; Q916-F1012 HydrophobicContact CB-CE1 4.27Å; K1010-F1012 HydrophobicContact CB-CD2 4.4Å; K1010-F1012 HydrophobicContact CB-CE2 4.09Å; K1010-F1012 HydrophobicContact CD-CE2 4.14Å; K1010-F1012 HydrophobicContact CD-CZ 3.98Å; K1010-F1012 HydrophobicContact CG-CE2 4.46Å; F1012-I1014 PolarHBondContact O-N 3.21Å; F1012-I1014 VanDerWaalsContact O-N 3.08Å; F1012-Q1015 HydrophobicContact CB-CB 3.8Å; F1012-Q1015 HydrophobicContact CB-CG 4.36Å; F1012-Q1015 HydrophobicContact CD1-CB 4.11Å; F1012-Q1015 HydrophobicContact CD1-CG 3.93Å; F1012-Q1015 HydrophobicContact CD2-CB 4.44Å; F1012-Q1015 HydrophobicContact CD2-CG 4.11Å; F1012-Q1015 HydrophobicContact CE1-CG 4.21Å; F1012-Q1015 HydrophobicContact CE2-CG 4.36Å; F1012-Q1015 HydrophobicContact CG-CB 3.88Å; F1012-Q1015 HydrophobicContact CG-CG 3.88Å; F1012-Q1015 HydrophobicContact CZ-CG 4.41Å; F1012-T1086 HydrophobicContact CD2-CG2 4.09Å; F1012-T1086 HydrophobicContact CE2-CG2 4.03Å; F1012-T1087 PolarHBondContact N-O 3.12Å; F1012-F1088 HydrophobicContact CB-CD1 3.94Å; F1012-F1088 HydrophobicContact CB-CE1 4.09Å; F1012-F1088 HydrophobicContact CB-CG 4.4Å; F1012-F1088 AromaticContact CD2-CD1 3.76Å; F1012-F1088 HydrophobicContact CD2-CD1 3.87Å; F1012-F1088 VanDerWaalsContact CD2-CD1 3.5Å; F1012-F1088 AromaticContact CD2-CE1 3.51Å; F1012-F1088 HydrophobicContact CD2-CE1 3.51Å; F1012-F1088 VanDerWaalsContact CD2-CE1 3.44Å; F1012-F1088 HydrophobicContact CD2-CG 4.47Å; F1012-F1088 AromaticContact CD2-CZ 3.83Å; F1012-F1088 HydrophobicContact CD2-CZ 4.09Å; F1012-F1088 HydrophobicContact CE2-CD1 4.2Å; F1012-F1088 AromaticContact CE2-CE1 3.9Å; F1012-F1088 HydrophobicContact CE2-CE1 3.9Å; F1012-F1088 HydrophobicContact CE2-CZ 4.16Å; F1012-F1088 AromaticContact CG-CD1 3.89Å; F1012-F1088 HydrophobicContact CG-CD1 4.18Å; F1012-F1088 AromaticContact CG-CE1 3.87Å; F1012-F1088 HydrophobicContact CG-CE1 4.19Å; F1012-F1088 WeakPolarHBondContact O-CA 3.38Å; F1012-D1089 PolarHBondContact N-OD1 2.81Å; F1012-D1089 WeakPolarHBondContact O-CA 3.24Å; F1012-D1089 WeakPolarHBondContact O-CB 3.33Å; F1012-D1089 PolarHBondContact O-N 3.02Å; F1012-V1090 PolarHBondContact O-N 2.76Å; F1012-V1090 VanDerWaalsContact O-N 3.12Å
1013	D	62.2	Low	47.9	Very low	69.2 Å²	69.2	79.1 Å²	79.1	37%	0.37	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	-33.4	-174.4	-55.9	14.3	0	0	0	109.2	D914 V915 T1011 D1089 V1090	D914-D1013 HydrophobicContact CB-CB 4.42Å; D914-D1013 WeakPolarHBondContact CB-OD1 3.47Å; D914-D1013 WeakPolarHBondContact O-CB 3.2Å; D914-D1013 PolarHBondContact O-N 3.02Å; D914-D1013 VanDerWaalsContact O-N 3.1Å; V915-D1013 HydrophobicContact CG2-CB 3.48Å; V915-D1013 VanDerWaalsContact CG2-CB 3.48Å; T1011-D1013 WeakPolarHBondContact CB-OD1 3.25Å; T1011-D1013 PolarHBondContact OG1-OD1 2.99Å; T1011-D1013 PolarHBondContact OG1-OD2 3.2Å; D1013-D1089 WeakPolarHBondContact O-CB 3.21Å; D1013-V1090 WeakPolarHBondContact O-CB 3.47Å; D1013-V1090 WeakPolarHBondContact O-CG2 3.15Å; D1013-V1090 PolarHBondContact O-N 3.22Å
1014	I	60.5	Low	49.2	Very low	51.6 Å²	51.6	73.8 Å²	73.8	27%	0.265	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	126.7	174.2	-52.8	176.2	0	0	0	111.2	V359 V435 D914 V915 Q916 F1012 A1016 D1089 V1090 V1091	V359-I1014 HydrophobicContact CB-CD1 4.4Å; V359-I1014 HydrophobicContact CG1-CD1 3.99Å; V359-I1014 HydrophobicContact CG2-CD1 3.5Å; V359-I1014 HydrophobicContact CG2-CG1 4.25Å; V435-I1014 HydrophobicContact CB-CD1 3.72Å; V435-I1014 HydrophobicContact CG1-CD1 3.85Å; V435-I1014 HydrophobicContact CG2-CD1 3.63Å; D914-I1014 PolarHBondContact O-N 3.11Å; D914-I1014 VanDerWaalsContact O-O 3.1Å; V915-I1014 WeakPolarHBondContact CA-O 3.31Å; V915-I1014 HydrophobicContact CG1-CB 4.37Å; V915-I1014 HydrophobicContact CG1-CD1 4.09Å; V915-I1014 HydrophobicContact CG1-CG1 4.19Å; V915-I1014 HydrophobicContact CG2-CB 4.42Å; V915-I1014 HydrophobicContact CG2-CD1 4.36Å; V915-I1014 HydrophobicContact CG2-CG1 4.29Å; Q916-I1014 PolarHBondContact N-O 3.23Å; Q916-I1014 VanDerWaalsContact N-O 3.1Å; F1012-I1014 PolarHBondContact O-N 3.21Å; F1012-I1014 VanDerWaalsContact O-N 3.08Å; I1014-A1016 HydrophobicContact CG2-CB 4.15Å; I1014-D1089 PolarHBondContact N-O 3.46Å; I1014-V1090 CarbonylContact C-O 3.43Å; I1014-V1090 WeakPolarHBondContact CA-O 3.22Å; I1014-V1090 HydrophobicContact CB-CG1 4.42Å; I1014-V1090 HydrophobicContact CB-CG2 4.42Å; I1014-V1090 HydrophobicContact CD1-CG2 4.4Å; I1014-V1090 HydrophobicContact CG1-CB 4.39Å; I1014-V1090 HydrophobicContact CG2-CB 4.39Å; I1014-V1090 HydrophobicContact CG2-CG1 4.44Å; I1014-V1091 PolarHBondContact O-N 3.36Å
1015	Q	64	Low	50.3	Low	34.4 Å²	34.4	68.8 Å²	68.8	16%	0.161	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	115.3	171.9	-170.4	-170.1	53.9	0	0	111.5	Q916 F1012 Q1017 F1088 V1090 V1091 T1092	Q916-Q1015 WeakPolarHBondContact O-CA 3.27Å; F1012-Q1015 HydrophobicContact CB-CB 3.8Å; F1012-Q1015 HydrophobicContact CB-CG 4.36Å; F1012-Q1015 HydrophobicContact CD1-CB 4.11Å; F1012-Q1015 HydrophobicContact CD1-CG 3.93Å; F1012-Q1015 HydrophobicContact CD2-CB 4.44Å; F1012-Q1015 HydrophobicContact CD2-CG 4.11Å; F1012-Q1015 HydrophobicContact CE1-CG 4.21Å; F1012-Q1015 HydrophobicContact CE2-CG 4.36Å; F1012-Q1015 HydrophobicContact CG-CB 3.88Å; F1012-Q1015 HydrophobicContact CG-CG 3.88Å; F1012-Q1015 HydrophobicContact CZ-CG 4.41Å; Q1015-Q1017 HydrophobicContact CG-CG 4.05Å; Q1015-F1088 HydrophobicContact CB-CD1 4.04Å; Q1015-F1088 HydrophobicContact CB-CE1 4.15Å; Q1015-F1088 HydrophobicContact CG-CD1 3.91Å; Q1015-F1088 HydrophobicContact CG-CE1 3.95Å; Q1015-V1090 PolarHBondContact N-O 3.14Å; Q1015-V1090 VanDerWaalsContact N-O 3.09Å; Q1015-V1091 WeakPolarHBondContact CA-O 3.41Å; Q1015-V1091 WeakPolarHBondContact O-CA 3.36Å; Q1015-T1092 PolarHBondContact O-N 3.06Å
1016	A	56.9	Low	50.9	Low	19.6 Å²	19.6	62.9 Å²	62.9	16%	0.162	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	120.4	179.7	0	0	0	0	0	112.6	Q916 T917 Q918 I1014 S1018 V1091 T1092 Q1093	Q916-A1016 PolarHBondContact O-N 3.04Å; Q916-A1016 VanDerWaalsContact O-N 3.11Å; T917-A1016 WeakPolarHBondContact CA-O 3.37Å; T917-A1016 HydrophobicContact CG2-CB 4.21Å; Q918-A1016 PolarHBondContact N-O 3.07Å; Q918-A1016 VanDerWaalsContact N-O 3.1Å; I1014-A1016 HydrophobicContact CG2-CB 4.15Å; A1016-S1018 PolarHBondContact O-N 2.99Å; A1016-S1018 VanDerWaalsContact O-N 3.09Å; A1016-V1091 PolarHBondContact N-O 2.83Å; A1016-T1092 CarbonylContact C-O 3.02Å; A1016-T1092 WeakPolarHBondContact CA-O 3.31Å; A1016-T1092 HydrophobicContact CB-CG2 4.1Å; A1016-T1092 WeakPolarHBondContact O-CA 3.46Å; A1016-Q1093 PolarHBondContact O-N 3.5Å
1017	Q	56.6	Low	51.6	Low	45.6 Å²	45.6	56.8 Å²	56.8	21%	0.213	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	125.4	177.2	-108.1	-163.4	24.1	0	0	111.8	Q918 Q1015 I1030 T1092 Q1093 S1094 R1139	Q918-Q1017 HydrophobicContact CB-CG 4.35Å; Q918-Q1017 VanDerWaalsContact O-CA 3.32Å; Q918-Q1017 WeakPolarHBondContact O-CA 3.45Å; Q1015-Q1017 HydrophobicContact CG-CG 4.05Å; Q1017-I1030 HydrophobicContact CB-CD1 4.13Å; Q1017-I1030 HydrophobicContact CB-CG2 3.71Å; Q1017-I1030 HydrophobicContact CG-CG2 3.81Å; Q1017-I1030 PolarHBondContact NE2-O 2.76Å; Q1017-T1092 PolarHBondContact N-O 3.09Å; Q1017-Q1093 WeakPolarHBondContact CA-O 3.35Å; Q1017-Q1093 HydrophobicContact CB-CG 4.36Å; Q1017-Q1093 HydrophobicContact CG-CB 4.36Å; Q1017-Q1093 WeakPolarHBondContact O-CA 3.34Å; Q1017-Q1093 VanDerWaalsContact OE1-NE2 3.17Å; Q1017-S1094 PolarHBondContact O-N 3.05Å; Q1017-S1094 VanDerWaalsContact O-N 3.16Å; Q1017-R1139 PolarHBondContact O-NH2 3.17Å
1018	S	53.1	Low	52.2	Low	40.2 Å²	40.2	55.5 Å²	55.5	28%	0.281	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	164.7	175	-168.3	0	0	0	0	111.8	S439 Q918 S919 G920 A1016 Q1028 Q1093 S1094 G1095	S439-S1018 VanDerWaalsContact OG-CB 3.32Å; S439-S1018 WeakPolarHBondContact OG-CB 3.45Å; Q918-S1018 PolarHBondContact NE2-O 3.05Å; Q918-S1018 CarbonylContact O-C 3.14Å; Q918-S1018 VanDerWaalsContact O-C 3.31Å; Q918-S1018 WeakPolarHBondContact O-CA 3.15Å; Q918-S1018 VanDerWaalsContact O-CB 3.25Å; Q918-S1018 WeakPolarHBondContact O-CB 3.37Å; Q918-S1018 PolarHBondContact O-N 3.12Å; S919-S1018 VanDerWaalsContact CA-O 3.31Å; S919-S1018 WeakPolarHBondContact CA-O 3.44Å; G920-S1018 PolarHBondContact N-O 3.19Å; A1016-S1018 PolarHBondContact O-N 2.99Å; A1016-S1018 VanDerWaalsContact O-N 3.09Å; S1018-Q1028 PolarHBondContact O-NE2 2.69Å; S1018-Q1093 PolarHBondContact N-O 3.27Å; S1018-S1094 VanDerWaalsContact CA-O 3.32Å; S1018-S1094 WeakPolarHBondContact CA-O 3.27Å; S1018-S1094 VanDerWaalsContact O-CA 3.32Å; S1018-S1094 WeakPolarHBondContact O-CA 3.04Å; S1018-S1094 PolarHBondContact OG-OG 2.87Å; S1018-G1095 PolarHBondContact O-N 3.17Å
1019	G	52.9	Low	52.4	Low	17 Å²	17	51.4 Å²	51.4	18%	0.175	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.8	158.8	173.1	0	0	0	0	0	116.5	Q918 G920 Q1028 S1094 G1095 T1096	Q918-G1019 PolarHBondContact O-N 3.15Å; Q918-G1019 VanDerWaalsContact OE1-CA 3.29Å; G920-G1019 CarbonylContact O-C 3.16Å; G920-G1019 WeakPolarHBondContact O-CA 3.33Å; G1019-Q1028 PolarHBondContact O-NE2 2.93Å; G1019-Q1028 VanDerWaalsContact O-NE2 3.11Å; G1019-S1094 PolarHBondContact N-O 2.89Å; G1019-G1095 CarbonylContact C-O 3.59Å; G1019-G1095 WeakPolarHBondContact CA-O 3.16Å; G1019-G1095 CarbonylContact O-C 3.54Å; G1019-G1095 VanDerWaalsContact O-CA 3.25Å; G1019-G1095 WeakPolarHBondContact O-CA 3.31Å; G1019-T1096 PolarHBondContact O-N 3.05Å
1020	I	54.9	Low	52.4	Low	48.2 Å²	48.2	51.3 Å²	51.3	25%	0.247	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	133.5	-178	-55.3	179.3	0	0	0	110	T441 T517 T593 G920 S921 V922 V1022 G1095 T1096 V1097	T441-I1020 HydrophobicContact CG2-CD1 4.01Å; T441-I1020 WeakPolarHBondContact OG1-CD1 3.44Å; T517-I1020 VanDerWaalsContact CB-CD1 3.47Å; T517-I1020 HydrophobicContact CG2-CD1 3.91Å; T517-I1020 WeakPolarHBondContact OG1-CD1 3.33Å; T593-I1020 HydrophobicContact CG2-CD1 3.97Å; G920-I1020 CarbonylContact C-O 3.34Å; G920-I1020 WeakPolarHBondContact O-CA 3.49Å; G920-I1020 WeakPolarHBondContact O-CB 3.43Å; G920-I1020 PolarHBondContact O-N 2.93Å; G920-I1020 VanDerWaalsContact O-O 3.04Å; S921-I1020 CarbonylContact C-O 3.58Å; S921-I1020 VanDerWaalsContact CA-O 3.25Å; S921-I1020 WeakPolarHBondContact CA-O 3.25Å; S921-I1020 PolarHBondContact N-O 2.78Å; V922-I1020 PolarHBondContact N-O 3.14Å; I1020-V1022 HydrophobicContact CG2-CG2 4.04Å; I1020-G1095 PolarHBondContact N-O 3.47Å; I1020-G1095 VanDerWaalsContact N-O 3.1Å; I1020-T1096 CarbonylContact C-O 3.54Å; I1020-T1096 VanDerWaalsContact CA-O 3.3Å; I1020-T1096 WeakPolarHBondContact CA-O 3.39Å; I1020-T1096 HydrophobicContact CB-CG2 4.41Å; I1020-V1097 PolarHBondContact O-N 3.02Å
1021	V	59.4	Low	51.7	Low	34 Å²	34	51.2 Å²	51.2	21%	0.206	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	121.9	177.4	-171.3	0	0	0	0	110.1	V922 K1023 Q1028 T1096 V1097 H1098	V922-V1021 HydrophobicContact CB-CG1 3.79Å; V922-V1021 HydrophobicContact CG1-CG1 3.85Å; V922-V1021 CarbonylContact O-C 3.57Å; V922-V1021 WeakPolarHBondContact O-CA 3.3Å; V922-V1021 WeakPolarHBondContact O-CG1 3.37Å; V1021-K1023 HydrophobicContact CB-CG 4.25Å; V1021-K1023 HydrophobicContact CG1-CB 4.48Å; V1021-K1023 HydrophobicContact CG1-CD 3.84Å; V1021-K1023 HydrophobicContact CG1-CG 3.62Å; V1021-Q1028 HydrophobicContact CG2-CG 4.47Å; V1021-T1096 PolarHBondContact N-O 3.05Å; V1021-V1097 WeakPolarHBondContact CA-O 3.05Å; V1021-V1097 HydrophobicContact CB-CB 4.37Å; V1021-V1097 HydrophobicContact CB-CG1 4.21Å; V1021-V1097 HydrophobicContact CB-CG2 4.05Å; V1021-V1097 HydrophobicContact CG2-CG2 3.76Å; V1021-V1097 CarbonylContact O-C 3.57Å; V1021-V1097 WeakPolarHBondContact O-CA 3.41Å; V1021-H1098 PolarHBondContact O-N 2.94Å
1022	V	58.6	Low	51.4	Low	53.8 Å²	53.8	53.3 Å²	53.3	33%	0.326	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	114.4	174.8	-175.8	0	0	0	0	109.2	V922 T923 I924 I1020 T1024 V1097 H1098 C1099	V922-V1022 PolarHBondContact O-N 3Å; V922-V1022 VanDerWaalsContact O-N 3.1Å; T923-V1022 CarbonylContact C-O 3.54Å; T923-V1022 VanDerWaalsContact CA-O 3.24Å; T923-V1022 WeakPolarHBondContact CA-O 3.23Å; T923-V1022 HydrophobicContact CG2-CB 4.38Å; T923-V1022 HydrophobicContact CG2-CG1 4.48Å; T923-V1022 WeakPolarHBondContact CG2-O 3.36Å; I924-V1022 PolarHBondContact N-O 3.29Å; I1020-V1022 HydrophobicContact CG2-CG2 4.04Å; V1022-T1024 HydrophobicContact CG1-CG2 4.37Å; V1022-V1097 PolarHBondContact N-O 2.83Å; V1022-H1098 CarbonylContact C-O 3.59Å; V1022-H1098 WeakPolarHBondContact CA-O 3.44Å; V1022-H1098 HydrophobicContact CG1-CB 4.5Å; V1022-H1098 HydrophobicContact CG2-CB 4.4Å; V1022-C1099 PolarHBondContact O-N 3.28Å; V1022-C1099 VanDerWaalsContact O-N 3.12Å
1023	K	62.6	Low	50.1	Low	44 Å²	44	57.5 Å²	57.5	19%	0.191	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	141.5	-175.2	-127.7	-169.9	-177	-176.6	0	112	I924 E927 T928 V1021 Q1025 S1026 T1027 V1097 H1098 C1099 A1100	I924-K1023 HydrophobicContact CB-CD 3.98Å; I924-K1023 HydrophobicContact CG1-CD 4.26Å; I924-K1023 VanDerWaalsContact CG1-NZ 3.32Å; I924-K1023 WeakPolarHBondContact O-CA 3.38Å; I924-K1023 WeakPolarHBondContact O-CB 3.42Å; I924-K1023 VanDerWaalsContact O-CG 3.25Å; I924-K1023 WeakPolarHBondContact O-CG 3.4Å; E927-K1023 PolarHBondContact O-NZ 2.9Å; T928-K1023 PolarHBondContact O-NZ 2.99Å; V1021-K1023 HydrophobicContact CB-CG 4.25Å; V1021-K1023 HydrophobicContact CG1-CB 4.48Å; V1021-K1023 HydrophobicContact CG1-CD 3.84Å; V1021-K1023 HydrophobicContact CG1-CG 3.62Å; K1023-Q1025 WeakPolarHBondContact CB-O 3.47Å; K1023-S1026 VanDerWaalsContact CB-CB 3.44Å; K1023-S1026 WeakPolarHBondContact CB-OG 3.29Å; K1023-S1026 WeakPolarHBondContact CD-OG 3.22Å; K1023-S1026 WeakPolarHBondContact CE-O 3.3Å; K1023-S1026 WeakPolarHBondContact CE-OG 3.34Å; K1023-S1026 PolarHBondContact NZ-O 2.83Å; K1023-S1026 PolarHBondContact NZ-OG 3.45Å; K1023-T1027 VanDerWaalsContact CE-O 3.25Å; K1023-T1027 WeakPolarHBondContact CE-O 3.39Å; K1023-T1027 PolarHBondContact NZ-O 3.03Å; K1023-T1027 VanDerWaalsContact NZ-O 3.12Å; K1023-T1027 PolarHBondContact NZ-OG1 3.27Å; K1023-V1097 HydrophobicContact CB-CG1 3.63Å; K1023-V1097 HydrophobicContact CG-CG1 3.89Å; K1023-H1098 PolarHBondContact N-O 3.19Å; K1023-C1099 VanDerWaalsContact CA-SG 3.55Å; K1023-C1099 WeakPolarHBondContact O-CA 3.45Å; K1023-C1099 WeakPolarHBondContact O-CB 3.47Å; K1023-A1100 PolarHBondContact O-N 2.98Å; K1023-A1100 VanDerWaalsContact O-N 3.14Å
1024	T	50.6	Low	48.8	Very low	68.6 Å²	68.6	59.8 Å²	59.8	42%	0.421	31%	0.313	S	S	.	.	S	Bend	trans	-104.3	-69.9	169.4	40.8	0	0	0	0	110.9	I924 N925 S926 V1022 C1099 A1100	I924-T1024 PolarHBondContact O-N 2.97Å; N925-T1024 WeakPolarHBondContact CA-OG1 3.29Å; N925-T1024 VanDerWaalsContact CG-OG1 3.31Å; N925-T1024 PolarHBondContact O-OG1 2.93Å; N925-T1024 VanDerWaalsContact O-OG1 3.06Å; N925-T1024 PolarHBondContact OD1-OG1 3.04Å; S926-T1024 PolarHBondContact N-O 3.03Å; S926-T1024 VanDerWaalsContact N-O 3.09Å; V1022-T1024 HydrophobicContact CG1-CG2 4.37Å; T1024-C1099 PolarHBondContact N-SG 3.37Å; T1024-C1099 PolarHBondContact OG1-O 3.16Å; T1024-C1099 PolarHBondContact OG1-SG 3.46Å; T1024-A1100 WeakPolarHBondContact CA-O 3.38Å; T1024-A1100 HydrophobicContact CG2-CB 4.26Å; T1024-A1100 WeakPolarHBondContact O-CA 3.46Å; T1024-A1100 VanDerWaalsContact O-CB 3.27Å; T1024-A1100 WeakPolarHBondContact O-CB 3.33Å; T1024-A1100 PolarHBondContact O-N 3.4Å
1025	Q	48.1	Very low	47.4	Very low	105.6 Å²	105.6	60.1 Å²	60.1	49%	0.493	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	137.5	171.2	-82.4	-177.7	-25.6	0	0	110.6	N925 S926 K1023 D1041 C1099 A1100 Q1101 S1102	N925-Q1025 CarbonylContact C-O 3.46Å; N925-Q1025 PolarHBondContact O-N 2.99Å; N925-Q1025 VanDerWaalsContact O-N 3.11Å; S926-Q1025 WeakPolarHBondContact CA-O 3.41Å; S926-Q1025 VanDerWaalsContact O-CA 3.3Å; S926-Q1025 WeakPolarHBondContact O-CA 3.47Å; S926-Q1025 WeakPolarHBondContact O-CB 3.26Å; K1023-Q1025 WeakPolarHBondContact CB-O 3.47Å; Q1025-D1041 WeakPolarHBondContact CB-OD2 3.39Å; Q1025-D1041 WeakPolarHBondContact CG-OD2 3.35Å; Q1025-D1041 PolarHBondContact NE2-OD2 2.95Å; Q1025-C1099 VanDerWaalsContact C-SG 3.56Å; Q1025-C1099 PolarHBondContact N-SG 3.42Å; Q1025-C1099 VanDerWaalsContact N-SG 3.37Å; Q1025-C1099 WeakPolarHBondContact O-CB 3.29Å; Q1025-C1099 PolarHBondContact O-SG 3.2Å; Q1025-A1100 PolarHBondContact N-O 3.09Å; Q1025-Q1101 WeakPolarHBondContact CA-O 3.35Å; Q1025-Q1101 HydrophobicContact CG-CB 4.39Å; Q1025-Q1101 VanDerWaalsContact O-CA 3.31Å; Q1025-Q1101 WeakPolarHBondContact O-CA 3.43Å; Q1025-S1102 PolarHBondContact O-N 3.35Å
1026	S	43.8	Very low	45.9	Very low	15.6 Å²	15.6	62.8 Å²	62.8	11%	0.109	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	144.9	179	78.5	0	0	0	0	113.6	S926 T928 K1023 Q1028 D1041 I1062 V1097 C1099 Q1101 S1102 V1103	S926-S1026 PolarHBondContact O-N 3.5Å; T928-S1026 PolarHBondContact N-O 2.94Å; K1023-S1026 VanDerWaalsContact CB-CB 3.44Å; K1023-S1026 WeakPolarHBondContact CB-OG 3.29Å; K1023-S1026 WeakPolarHBondContact CD-OG 3.22Å; K1023-S1026 WeakPolarHBondContact CE-O 3.3Å; K1023-S1026 WeakPolarHBondContact CE-OG 3.34Å; K1023-S1026 PolarHBondContact NZ-O 2.83Å; K1023-S1026 PolarHBondContact NZ-OG 3.45Å; S1026-Q1028 PolarHBondContact O-N 2.92Å; S1026-D1041 PolarHBondContact N-OD1 2.87Å; S1026-I1062 WeakPolarHBondContact O-CB 3Å; S1026-I1062 WeakPolarHBondContact O-CG2 2.95Å; S1026-V1097 WeakPolarHBondContact OG-CG1 3.4Å; S1026-C1099 PolarHBondContact OG-SG 3.21Å; S1026-Q1101 PolarHBondContact N-O 3.05Å; S1026-Q1101 VanDerWaalsContact N-O 3.09Å; S1026-S1102 WeakPolarHBondContact CA-O 3.34Å; S1026-S1102 WeakPolarHBondContact CB-OG 3.2Å; S1026-V1103 PolarHBondContact O-N 3.21Å; S1026-V1103 VanDerWaalsContact O-N 3.09Å
1027	T	45.7	Very low	44.9	Very low	61 Å²	61	66.3 Å²	66.3	37%	0.374	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	130.2	171.2	-41.2	0	0	0	0	109.5	E927 T928 Q929 K1023 A1040 I1062 G1063 S1102 V1103 Q1104	E927-T1027 WeakPolarHBondContact O-CB 3.4Å; E927-T1027 WeakPolarHBondContact O-CG2 3.23Å; E927-T1027 PolarHBondContact O-OG1 3.49Å; T928-T1027 WeakPolarHBondContact O-CA 3.42Å; T928-T1027 PolarHBondContact O-OG1 2.64Å; T928-T1027 VanDerWaalsContact O-OG1 3.13Å; Q929-T1027 WeakPolarHBondContact CB-O 3.34Å; Q929-T1027 PolarHBondContact N-OG1 2.88Å; K1023-T1027 VanDerWaalsContact CE-O 3.25Å; K1023-T1027 WeakPolarHBondContact CE-O 3.39Å; K1023-T1027 PolarHBondContact NZ-O 3.03Å; K1023-T1027 VanDerWaalsContact NZ-O 3.12Å; K1023-T1027 PolarHBondContact NZ-OG1 3.27Å; T1027-A1040 VanDerWaalsContact CG2-CA 3.41Å; T1027-A1040 HydrophobicContact CG2-CB 3.5Å; T1027-A1040 VanDerWaalsContact CG2-CB 3.5Å; T1027-I1062 CarbonylContact C-O 3.03Å; T1027-G1063 CarbonylContact C-O 3.53Å; T1027-G1063 WeakPolarHBondContact CA-O 3.43Å; T1027-G1063 WeakPolarHBondContact CB-O 3.01Å; T1027-G1063 VanDerWaalsContact CG2-O 3.29Å; T1027-G1063 WeakPolarHBondContact CG2-O 3.38Å; T1027-S1102 PolarHBondContact N-O 3.12Å; T1027-V1103 WeakPolarHBondContact CA-O 3.48Å; T1027-V1103 WeakPolarHBondContact O-CA 3.41Å; T1027-Q1104 PolarHBondContact O-N 2.95Å
1028	Q	41.7	Very low	43.9	Very low	59.6 Å²	59.6	68.2 Å²	68.2	28%	0.279	35%	0.352	S	S	.	.			trans	-130.9	115.4	177.9	-174.2	177	22.9	0	0	109.6	T928 Q929 T930 S1018 G1019 V1021 S1026 I1030 I1062 G1063 Q1104 T1105	T928-Q1028 PolarHBondContact O-N 3.46Å; T928-Q1028 VanDerWaalsContact O-N 3.1Å; Q929-Q1028 WeakPolarHBondContact CA-O 3.34Å; Q929-Q1028 HydrophobicContact CG-CB 4.47Å; T930-Q1028 PolarHBondContact N-O 3.29Å; S1018-Q1028 PolarHBondContact O-NE2 2.69Å; G1019-Q1028 PolarHBondContact O-NE2 2.93Å; G1019-Q1028 VanDerWaalsContact O-NE2 3.11Å; V1021-Q1028 HydrophobicContact CG2-CG 4.47Å; S1026-Q1028 PolarHBondContact O-N 2.92Å; Q1028-I1030 VanDerWaalsContact C-N 3.29Å; Q1028-I1030 HydrophobicContact CG-CD1 4.11Å; Q1028-I1030 HydrophobicContact CG-CG1 3.95Å; Q1028-I1030 PolarHBondContact O-N 2.85Å; Q1028-I1030 VanDerWaalsContact O-N 3.13Å; Q1028-I1062 PolarHBondContact N-O 2.93Å; Q1028-G1063 VanDerWaalsContact N-CA 3.35Å; Q1028-G1063 PolarHBondContact N-O 3.32Å; Q1028-Q1104 WeakPolarHBondContact CA-O 3.41Å; Q1028-Q1104 HydrophobicContact CB-CG 4.47Å; Q1028-Q1104 VanDerWaalsContact CD-NE2 3.27Å; Q1028-Q1104 HydrophobicContact CG-CB 4.47Å; Q1028-T1105 PolarHBondContact O-N 3.46Å
1029	T	40.4	Very low	43.2	Very low	63.2 Å²	63.2	69.8 Å²	69.8	39%	0.388	36%	0.36	S	S	.	.			trans	-114	131.9	175.1	-51.3	0	0	0	0	109.7	Q929 T930 L1031 Q1064 S1065 Q1104 T1105 I1106 P1107	Q929-T1029 WeakPolarHBondContact O-CB 3.25Å; Q929-T1029 PolarHBondContact O-OG1 2.75Å; T930-T1029 HydrophobicContact CG2-CG2 4.05Å; T930-T1029 PolarHBondContact OG1-OG1 3.31Å; T1029-L1031 HydrophobicContact CG2-CB 4.49Å; T1029-L1031 PolarHBondContact O-N 3.04Å; T1029-Q1064 WeakPolarHBondContact CA-O 2.98Å; T1029-Q1064 WeakPolarHBondContact CB-O 3.39Å; T1029-Q1064 PolarHBondContact OG1-O 2.73Å; T1029-S1065 VanDerWaalsContact CG2-OG 3.23Å; T1029-S1065 WeakPolarHBondContact CG2-OG 3.12Å; T1029-Q1104 PolarHBondContact N-O 2.91Å; T1029-T1105 WeakPolarHBondContact CA-O 3.4Å; T1029-T1105 HydrophobicContact CG2-CG2 4.37Å; T1029-I1106 PolarHBondContact O-N 2.9Å; T1029-P1107 HydrophobicContact CG2-CB 4.05Å; T1029-P1107 HydrophobicContact CG2-CG 4.3Å
1030	I	37.3	Very low	42.5	Very low	60.4 Å²	60.4	71 Å²	71	31%	0.31	37%	0.368	S	S	.	.			trans	-112.9	128.3	173.3	-62.3	172.3	0	0	0	108.1	T930 H932 Q1017 Q1028 E1032 Q1093 Q1104 T1105 I1106	T930-I1030 PolarHBondContact O-N 2.8Å; H932-I1030 PolarHBondContact N-O 3.41Å; Q1017-I1030 HydrophobicContact CB-CD1 4.13Å; Q1017-I1030 HydrophobicContact CB-CG2 3.71Å; Q1017-I1030 HydrophobicContact CG-CG2 3.81Å; Q1017-I1030 PolarHBondContact NE2-O 2.76Å; Q1028-I1030 VanDerWaalsContact C-N 3.29Å; Q1028-I1030 HydrophobicContact CG-CD1 4.11Å; Q1028-I1030 HydrophobicContact CG-CG1 3.95Å; Q1028-I1030 PolarHBondContact O-N 2.85Å; Q1028-I1030 VanDerWaalsContact O-N 3.13Å; I1030-E1032 VanDerWaalsContact C-N 3.27Å; I1030-E1032 HydrophobicContact CG2-CB 3.74Å; I1030-E1032 PolarHBondContact O-N 3.22Å; I1030-Q1093 HydrophobicContact CD1-CB 4.25Å; I1030-Q1093 HydrophobicContact CD1-CG 4.27Å; I1030-Q1104 HydrophobicContact CD1-CG 3.88Å; I1030-T1105 HydrophobicContact CB-CG2 3.87Å; I1030-I1106 HydrophobicContact CB-CG1 4.41Å; I1030-I1106 HydrophobicContact CG2-CD1 4.24Å; I1030-I1106 HydrophobicContact CG2-CG1 3.88Å
1031	L	36.6	Very low	41.8	Very low	91 Å²	91	72.1 Å²	72.1	48%	0.476	38%	0.375	S	S	.	.			trans	-99.9	118.2	172.5	-173.9	85.2	0	0	0	111	P931 H932 T1029 E1033 E1067 I1106 P1107 E1108	P931-L1031 HydrophobicContact CG-CD1 4.04Å; H932-L1031 HydrophobicContact CB-CD1 4.18Å; T1029-L1031 HydrophobicContact CG2-CB 4.49Å; T1029-L1031 PolarHBondContact O-N 3.04Å; L1031-E1033 VanDerWaalsContact C-N 3.32Å; L1031-E1033 HydrophobicContact CD2-CB 4.4Å; L1031-E1033 HydrophobicContact CG-CB 4.38Å; L1031-E1033 PolarHBondContact O-N 3.45Å; L1031-E1033 VanDerWaalsContact O-N 3.08Å; L1031-E1067 HydrophobicContact CD1-CB 3.56Å; L1031-E1067 HydrophobicContact CD1-CG 3.61Å; L1031-E1067 VanDerWaalsContact CD1-OE2 3.28Å; L1031-E1067 WeakPolarHBondContact CD1-OE2 3.15Å; L1031-I1106 WeakPolarHBondContact CA-O 3.17Å; L1031-I1106 PolarHBondContact N-O 2.99Å; L1031-I1106 WeakPolarHBondContact O-CG2 3.32Å; L1031-P1107 WeakPolarHBondContact O-CA 3.37Å; L1031-P1107 VanDerWaalsContact O-CG 3.31Å; L1031-P1107 WeakPolarHBondContact O-CG 3.36Å; L1031-E1108 PolarHBondContact O-N 3.13Å
1032	E	34.2	Very low	40.9	Very low	98.2 Å²	98.2	72.4 Å²	72.4	46%	0.459	38%	0.377	S	S	.	.			trans	-98.3	117.8	172.4	-170.7	-177.8	174.6	0	0	108.3	P934 I1030 R1034 I1106 P1107 E1143	P934-E1032 WeakPolarHBondContact CD-O 3.5Å; I1030-E1032 VanDerWaalsContact C-N 3.27Å; I1030-E1032 HydrophobicContact CG2-CB 3.74Å; I1030-E1032 PolarHBondContact O-N 3.22Å; E1032-R1034 VanDerWaalsContact C-N 3.3Å; E1032-R1034 HydrophobicContact CG-CG 4.29Å; E1032-R1034 PolarHBondContact O-N 2.97Å; E1032-R1034 WeakPolarHBondContact OE1-CD 3.39Å; E1032-R1034 VanDerWaalsContact OE1-CG 3.23Å; E1032-R1034 WeakPolarHBondContact OE1-CG 3.37Å; E1032-R1034 IonicContact OE1-CZ 3.32Å; E1032-R1034 IonicContact OE1-NE 3.01Å; E1032-R1034 PolarHBondContact OE1-NE 3.29Å; E1032-R1034 IonicContact OE1-NH1 3.86Å; E1032-R1034 PolarHBondContact OE1-NH1 2.81Å; E1032-R1034 IonicContact OE1-NH2 3.34Å; E1032-R1034 PolarHBondContact OE1-NH2 3.32Å; E1032-R1034 IonicContact OE2-CZ 3.2Å; E1032-R1034 IonicContact OE2-NE 3.27Å; E1032-R1034 PolarHBondContact OE2-NE 3.45Å; E1032-R1034 VanDerWaalsContact OE2-NE 3.11Å; E1032-R1034 IonicContact OE2-NH2 3.41Å; E1032-R1034 PolarHBondContact OE2-NH2 3.43Å; E1032-I1106 HydrophobicContact CB-CG2 4.14Å; E1032-P1107 HydrophobicContact CB-CB 4.04Å; E1032-P1107 HydrophobicContact CB-CG 4.41Å; E1032-E1143 WeakPolarHBondContact CB-OE2 3.23Å
1033	E	31.7	Very low	40.1	Very low	127.6 Å²	127.6	72.2 Å²	72.2	60%	0.596	38%	0.378	S	S	*	.			trans	-93.3	100.7	-173.3	-166.6	167.8	-157.2	0	0	111.2	H932 H965 K1010 L1031 P1035 E1108 E1109 Q1110	H932-E1033 IonicContact CE1-OE1 2.65Å; H932-E1033 PolarHBondContact CE1-OE1 2.74Å; H932-E1033 IonicContact CE1-OE2 3.89Å; H932-E1033 PolarHBondContact CE1-OE2 3.38Å; H932-E1033 IonicContact ND1-OE2 2.73Å; H932-E1033 PolarHBondContact ND1-OE2 2.86Å; H932-E1033 VanDerWaalsContact ND1-OE2 3.11Å; H965-E1033 VanDerWaalsContact CE1-CG 3.44Å; H965-E1033 WeakPolarHBondContact CE1-CG 3.5Å; H965-E1033 IonicContact CE1-OE1 2.69Å; H965-E1033 IonicContact CG-OE1 3.06Å; H965-E1033 WeakPolarHBondContact ND1-CG 3.43Å; H965-E1033 IonicContact ND1-OE1 2.7Å; H965-E1033 PolarHBondContact ND1-OE1 2.94Å; K1010-E1033 WeakPolarHBondContact CE-OE2 3.5Å; K1010-E1033 IonicContact NZ-OE1 2.77Å; K1010-E1033 IonicContact NZ-OE2 2.66Å; K1010-E1033 PolarHBondContact NZ-OE2 2.88Å; L1031-E1033 VanDerWaalsContact C-N 3.32Å; L1031-E1033 HydrophobicContact CD2-CB 4.4Å; L1031-E1033 HydrophobicContact CG-CB 4.38Å; L1031-E1033 PolarHBondContact O-N 3.45Å; L1031-E1033 VanDerWaalsContact O-N 3.08Å; E1033-P1035 HydrophobicContact CG-CG 4.18Å; E1033-P1035 WeakPolarHBondContact O-CD 3.5Å; E1033-E1108 PolarHBondContact N-O 2.96Å; E1033-E1109 WeakPolarHBondContact O-CA 3.37Å; E1033-Q1110 PolarHBondContact O-N 3.12Å
1034	R	34.6	Very low	39.3	Very low	117 Å²	117	72.1 Å²	72.1	44%	0.442	38%	0.381	S	S	.	.			trans	-106.2	123.8	-178.2	-64.2	-170.9	-170.2	-179.9	-2.5	113.2	E1032 M1036 E1067 E1108 E1109 Q1110 E1143	E1032-R1034 VanDerWaalsContact C-N 3.3Å; E1032-R1034 HydrophobicContact CG-CG 4.29Å; E1032-R1034 PolarHBondContact O-N 2.97Å; E1032-R1034 WeakPolarHBondContact OE1-CD 3.39Å; E1032-R1034 VanDerWaalsContact OE1-CG 3.23Å; E1032-R1034 WeakPolarHBondContact OE1-CG 3.37Å; E1032-R1034 IonicContact OE1-CZ 3.32Å; E1032-R1034 IonicContact OE1-NE 3.01Å; E1032-R1034 PolarHBondContact OE1-NE 3.29Å; E1032-R1034 IonicContact OE1-NH1 3.86Å; E1032-R1034 PolarHBondContact OE1-NH1 2.81Å; E1032-R1034 IonicContact OE1-NH2 3.34Å; E1032-R1034 PolarHBondContact OE1-NH2 3.32Å; E1032-R1034 IonicContact OE2-CZ 3.2Å; E1032-R1034 IonicContact OE2-NE 3.27Å; E1032-R1034 PolarHBondContact OE2-NE 3.45Å; E1032-R1034 VanDerWaalsContact OE2-NE 3.11Å; E1032-R1034 IonicContact OE2-NH2 3.41Å; E1032-R1034 PolarHBondContact OE2-NH2 3.43Å; R1034-M1036 HydrophobicContact CB-CB 3.83Å; R1034-M1036 PolarHBondContact NH1-SD 2.88Å; R1034-M1036 PolarHBondContact O-N 3.4Å; R1034-E1067 WeakPolarHBondContact O-CB 3.32Å; R1034-E1108 IonicContact CZ-OE1 2.81Å; R1034-E1108 IonicContact NE-OE1 3.34Å; R1034-E1108 PolarHBondContact NE-OE1 2.87Å; R1034-E1108 VanDerWaalsContact NH2-CD 3.27Å; R1034-E1108 IonicContact NH2-OE1 2.82Å; R1034-E1108 PolarHBondContact NH2-OE1 3.06Å; R1034-E1108 IonicContact NH2-OE2 2.73Å; R1034-E1108 PolarHBondContact NH2-OE2 2.91Å; R1034-E1109 IonicContact CZ-OE1 3.75Å; R1034-E1109 IonicContact CZ-OE2 3.19Å; R1034-E1109 VanDerWaalsContact CZ-OE2 3.29Å; R1034-E1109 IonicContact NH1-OE1 3.95Å; R1034-E1109 PolarHBondContact NH1-OE1 2.84Å; R1034-E1109 IonicContact NH1-OE2 2.72Å; R1034-E1109 PolarHBondContact NH1-OE2 2.84Å; R1034-E1109 IonicContact NH2-OE2 2.81Å; R1034-E1109 PolarHBondContact NH2-OE2 3.33Å; R1034-Q1110 HydrophobicContact CG-CB 4.11Å; R1034-E1143 WeakPolarHBondContact CB-OE1 3.41Å; R1034-E1143 WeakPolarHBondContact CD-OE1 3.21Å; R1034-E1143 WeakPolarHBondContact CG-OE1 3.22Å; R1034-E1143 IonicContact CZ-OE1 3.95Å; R1034-E1143 IonicContact CZ-OE2 2.9Å; R1034-E1143 IonicContact NE-OE1 2.73Å; R1034-E1143 PolarHBondContact NE-OE1 2.85Å; R1034-E1143 IonicContact NE-OE2 2.75Å; R1034-E1143 PolarHBondContact NE-OE2 2.88Å; R1034-E1143 IonicContact NH1-OE1 2.62Å; R1034-E1143 IonicContact NH2-OE2 3.17Å; R1034-E1143 PolarHBondContact NH2-OE2 2.8Å
1035	P	32.1	Very low	38.8	Very low	56.6 Å²	56.6	73.4 Å²	73.4	37%	0.368	38%	0.384	S	S	.	.			trans	-89.6	116.8	172.1	10	2.7	0	0	0	113.2	K935 E1033 F1037 N1068 T1069 P1111 V1112 S1146	K935-P1035 HydrophobicContact CD-CB 4.44Å; E1033-P1035 HydrophobicContact CG-CG 4.18Å; E1033-P1035 WeakPolarHBondContact O-CD 3.5Å; P1035-F1037 HydrophobicContact CB-CD2 4.14Å; P1035-F1037 HydrophobicContact CB-CE2 3.74Å; P1035-F1037 VanDerWaalsContact CB-CE2 3.48Å; P1035-F1037 HydrophobicContact CB-CZ 4.2Å; P1035-F1037 HydrophobicContact CG-CE2 4.4Å; P1035-F1037 WeakPolarHBondContact O-CD2 3.33Å; P1035-F1037 PolarHBondContact O-N 3.08Å; P1035-N1068 VanDerWaalsContact C-N 3.28Å; P1035-N1068 CarbonylContact O-C 2.94Å; P1035-N1068 PolarHBondContact O-N 3.49Å; P1035-N1068 VanDerWaalsContact O-O 3.11Å; P1035-T1069 WeakPolarHBondContact CD-O 3.07Å; P1035-T1069 HydrophobicContact CG-CG2 4.39Å; P1035-T1069 VanDerWaalsContact O-CB 3.3Å; P1035-T1069 WeakPolarHBondContact O-CB 3.32Å; P1035-T1069 PolarHBondContact O-OG1 3.14Å; P1035-P1111 HydrophobicContact CB-CB 4.41Å; P1035-P1111 HydrophobicContact CG-CB 4.36Å; P1035-P1111 CarbonylContact O-C 3.5Å; P1035-P1111 WeakPolarHBondContact O-CA 3.47Å; P1035-V1112 PolarHBondContact O-N 3.12Å; P1035-S1146 WeakPolarHBondContact CB-OG 3.41Å; P1035-S1146 WeakPolarHBondContact CG-OG 3.19Å
1036	M	32.8	Very low	38.6	Very low	91.6 Å²	91.6	71.5 Å²	71.5	45%	0.451	38%	0.375	S	S	.	.			trans	-115.9	114.3	-177.5	-113.7	-167.7	-66.2	0	0	114.5	K935 R1034 H1038 E1067 N1068 V1112 T1145	K935-M1036 VanDerWaalsContact CD-O 3.24Å; K935-M1036 WeakPolarHBondContact CD-O 3.39Å; R1034-M1036 HydrophobicContact CB-CB 3.83Å; R1034-M1036 PolarHBondContact NH1-SD 2.88Å; R1034-M1036 PolarHBondContact O-N 3.4Å; M1036-H1038 VanDerWaalsContact CG-CE1 3.48Å; M1036-H1038 WeakPolarHBondContact CG-CE1 3.29Å; M1036-H1038 PolarHBondContact O-N 2.97Å; M1036-H1038 PolarHBondContact O-ND1 3.33Å; M1036-H1038 VanDerWaalsContact O-ND1 3.15Å; M1036-H1038 PolarHBondContact SD-CE1 2.8Å; M1036-E1067 HydrophobicContact CB-CB 4.36Å; M1036-E1067 HydrophobicContact CB-CG 4.19Å; M1036-E1067 PolarHBondContact N-OE1 2.94Å; M1036-N1068 HydrophobicContact CE-CB 4.36Å; M1036-N1068 WeakPolarHBondContact CE-O 3.46Å; M1036-N1068 WeakPolarHBondContact CG-O 3.3Å; M1036-V1112 HydrophobicContact CG-CB 4.35Å; M1036-T1145 VanDerWaalsContact O-O 3.09Å
1037	F	35.3	Very low	38.4	Very low	93.2 Å²	93.2	73.2 Å²	73.2	41%	0.409	39%	0.387	S	S	.	.			trans	-87.6	115.3	-168.8	-61.8	-79	0	0	0	115.7	T930 I937 P1035 T1039 V1066 N1068 P1111 V1112 F1113 H1114 N1144	T930-F1037 VanDerWaalsContact CB-O 3.26Å; T930-F1037 WeakPolarHBondContact CB-O 3.44Å; T930-F1037 WeakPolarHBondContact CG2-O 3.41Å; I937-F1037 HydrophobicContact CD1-CD1 4.32Å; I937-F1037 HydrophobicContact CD1-CE1 3.59Å; I937-F1037 HydrophobicContact CD1-CZ 3.97Å; I937-F1037 HydrophobicContact CG2-CE1 4.48Å; I937-F1037 HydrophobicContact CG2-CZ 4.19Å; P1035-F1037 HydrophobicContact CB-CD2 4.14Å; P1035-F1037 HydrophobicContact CB-CE2 3.74Å; P1035-F1037 VanDerWaalsContact CB-CE2 3.48Å; P1035-F1037 HydrophobicContact CB-CZ 4.2Å; P1035-F1037 HydrophobicContact CG-CE2 4.4Å; P1035-F1037 WeakPolarHBondContact O-CD2 3.33Å; P1035-F1037 PolarHBondContact O-N 3.08Å; F1037-T1039 PolarHBondContact O-N 3.37Å; F1037-V1066 HydrophobicContact CB-CG2 4.41Å; F1037-V1066 HydrophobicContact CZ-CG2 4.49Å; F1037-N1068 PolarHBondContact N-ND2 2.76Å; F1037-N1068 VanDerWaalsContact N-ND2 3.19Å; F1037-N1068 WeakPolarHBondContact O-CA 3.38Å; F1037-N1068 WeakPolarHBondContact O-CB 3.43Å; F1037-N1068 PolarHBondContact O-N 2.98Å; F1037-N1068 PolarHBondContact O-ND2 3.12Å; F1037-N1068 PolarHBondContact O-OD1 3.49Å; F1037-P1111 HydrophobicContact CE2-CB 4.41Å; F1037-V1112 HydrophobicContact CD1-CG2 3.93Å; F1037-V1112 HydrophobicContact CE1-CB 4.31Å; F1037-V1112 HydrophobicContact CE1-CG1 4.18Å; F1037-V1112 HydrophobicContact CE1-CG2 3.26Å; F1037-V1112 HydrophobicContact CE2-CG1 4.43Å; F1037-V1112 HydrophobicContact CZ-CB 4.39Å; F1037-V1112 HydrophobicContact CZ-CG1 3.76Å; F1037-V1112 HydrophobicContact CZ-CG2 3.73Å; F1037-V1112 PolarHBondContact N-O 2.68Å; F1037-F1113 HydrophobicContact CB-CD1 4.02Å; F1037-F1113 HydrophobicContact CB-CE1 4.28Å; F1037-F1113 AromaticContact CD1-CD1 3.93Å; F1037-F1113 HydrophobicContact CD1-CD1 3.93Å; F1037-F1113 AromaticContact CD1-CD2 3.52Å; F1037-F1113 HydrophobicContact CD1-CD2 3.52Å; F1037-F1113 AromaticContact CD1-CE1 3.85Å; F1037-F1113 HydrophobicContact CD1-CE1 3.85Å; F1037-F1113 AromaticContact CD1-CE2 3.45Å; F1037-F1113 HydrophobicContact CD1-CE2 3.45Å; F1037-F1113 VanDerWaalsContact CD1-CE2 3.45Å; F1037-F1113 AromaticContact CD1-CG 3.76Å; F1037-F1113 HydrophobicContact CD1-CG 3.76Å; F1037-F1113 AromaticContact CD1-CZ 3.62Å; F1037-F1113 HydrophobicContact CD1-CZ 3.62Å; F1037-F1113 AromaticContact CD2-CD1 3.74Å; F1037-F1113 HydrophobicContact CD2-CD1 3.91Å; F1037-F1113 AromaticContact CD2-CE1 3.61Å; F1037-F1113 HydrophobicContact CD2-CE1 3.61Å; F1037-F1113 AromaticContact CD2-CZ 3.76Å; F1037-F1113 HydrophobicContact CD2-CZ 3.76Å; F1037-F1113 AromaticContact CE1-CD2 3.6Å; F1037-F1113 HydrophobicContact CE1-CD2 3.6Å; F1037-F1113 AromaticContact CE1-CE2 3.5Å; F1037-F1113 HydrophobicContact CE1-CE2 3.5Å; F1037-F1113 VanDerWaalsContact CE1-CE2 3.5Å; F1037-F1113 HydrophobicContact CE1-CG 4.28Å; F1037-F1113 HydrophobicContact CE1-CZ 4.09Å; F1037-F1113 AromaticContact CE2-CE1 3.8Å; F1037-F1113 HydrophobicContact CE2-CE1 4.07Å; F1037-F1113 AromaticContact CE2-CZ 3.96Å; F1037-F1113 HydrophobicContact CE2-CZ 3.96Å; F1037-F1113 AromaticContact CG-CD1 3.96Å; F1037-F1113 HydrophobicContact CG-CD1 4.21Å; F1037-F1113 AromaticContact CG-CE1 3.77Å; F1037-F1113 HydrophobicContact CG-CE1 3.77Å; F1037-H1114 PolarHBondContact O-N 3.42Å; F1037-H1114 VanDerWaalsContact O-O 3.12Å; F1037-N1144 WeakPolarHBondContact CA-OD1 3.14Å; F1037-N1144 WeakPolarHBondContact CB-OD1 3.36Å; F1037-N1144 WeakPolarHBondContact CD1-ND2 3.35Å; F1037-N1144 WeakPolarHBondContact CD1-OD1 3.46Å; F1037-N1144 WeakPolarHBondContact CD2-ND2 3.37Å; F1037-N1144 WeakPolarHBondContact CE2-ND2 3.4Å; F1037-N1144 WeakPolarHBondContact CG-ND2 3.13Å; F1037-N1144 WeakPolarHBondContact CG-OD1 3.09Å; F1037-N1144 WeakPolarHBondContact CZ-ND2 3.14Å
1038	H	34.9	Very low	38.3	Very low	86 Å²	86	72.2 Å²	72.2	40%	0.398	38%	0.378	S	S	.	.			trans	-105.7	121.1	-177.1	-90.2	68.3	0	0	0	111.7	T928 T930 A939 M1036 A1040 V1066 E1067 N1068 T1069 F1113 H1114 E1143	T928-H1038 HydrophobicContact CG2-CB 4.08Å; T928-H1038 WeakPolarHBondContact CG2-CD2 3.49Å; T928-H1038 PolarHBondContact OG1-CD2 2.74Å; T928-H1038 VanDerWaalsContact OG1-CD2 3.23Å; T928-H1038 PolarHBondContact OG1-CE1 2.79Å; T928-H1038 PolarHBondContact OG1-NE2 2.9Å; T930-H1038 PolarHBondContact O-CE1 2.67Å; T930-H1038 PolarHBondContact O-ND1 2.78Å; A939-H1038 HydrophobicContact CB-CB 4.21Å; M1036-H1038 VanDerWaalsContact CG-CE1 3.48Å; M1036-H1038 WeakPolarHBondContact CG-CE1 3.29Å; M1036-H1038 PolarHBondContact O-N 2.97Å; M1036-H1038 PolarHBondContact O-ND1 3.33Å; M1036-H1038 VanDerWaalsContact O-ND1 3.15Å; M1036-H1038 PolarHBondContact SD-CE1 2.8Å; H1038-A1040 PolarHBondContact O-N 3.2Å; H1038-V1066 CarbonylContact C-O 3.51Å; H1038-V1066 WeakPolarHBondContact CA-O 3.42Å; H1038-V1066 WeakPolarHBondContact CB-O 3.33Å; H1038-V1066 PolarHBondContact CD2-O 2.99Å; H1038-V1066 VanDerWaalsContact CG-C 3.5Å; H1038-E1067 HydrophobicContact CB-CB 3.74Å; H1038-E1067 WeakPolarHBondContact CD2-CA 3.37Å; H1038-E1067 WeakPolarHBondContact CD2-CB 3.35Å; H1038-E1067 WeakPolarHBondContact CD2-CG 3.09Å; H1038-E1067 PolarHBondContact CD2-N 3.2Å; H1038-E1067 WeakPolarHBondContact CE1-CA 3.45Å; H1038-E1067 WeakPolarHBondContact CE1-CB 3.48Å; H1038-E1067 WeakPolarHBondContact CE1-CG 3.44Å; H1038-E1067 PolarHBondContact CE1-N 3.47Å; H1038-E1067 PolarHBondContact CE1-O 2.81Å; H1038-E1067 IonicContact CE1-OE1 2.71Å; H1038-E1067 PolarHBondContact CE1-OE1 3.06Å; H1038-E1067 IonicContact CE1-OE2 2.64Å; H1038-E1067 VanDerWaalsContact CG-C 3.44Å; H1038-E1067 VanDerWaalsContact CG-N 3.29Å; H1038-E1067 WeakPolarHBondContact ND1-CA 3.36Å; H1038-E1067 WeakPolarHBondContact ND1-CB 3.39Å; H1038-E1067 IonicContact ND1-OE1 3.23Å; H1038-E1067 WeakPolarHBondContact NE2-CA 3.38Å; H1038-E1067 WeakPolarHBondContact NE2-CB 3.37Å; H1038-E1067 WeakPolarHBondContact NE2-CG 3.38Å; H1038-E1067 PolarHBondContact NE2-N 2.75Å; H1038-E1067 IonicContact NE2-OE1 2.91Å; H1038-E1067 PolarHBondContact NE2-OE1 3.05Å; H1038-E1067 IonicContact NE2-OE2 2.81Å; H1038-N1068 PolarHBondContact CE1-N 3.36Å; H1038-N1068 VanDerWaalsContact CE1-N 3.3Å; H1038-N1068 PolarHBondContact CE1-O 3.08Å; H1038-N1068 VanDerWaalsContact ND1-CA 3.35Å; H1038-N1068 WeakPolarHBondContact ND1-CA 3.47Å; H1038-N1068 PolarHBondContact ND1-N 3.16Å; H1038-N1068 PolarHBondContact ND1-O 2.91Å; H1038-T1069 PolarHBondContact CE1-N 3.39Å; H1038-F1113 PolarHBondContact N-O 3.5Å; H1038-H1114 HydrophobicContact CB-CB 3.56Å; H1038-H1114 AromaticContact CD2-CG 3.95Å; H1038-H1114 AromaticContact CD2-ND1 3.62Å; H1038-H1114 AromaticContact CE1-ND1 3.78Å; H1038-H1114 AromaticContact NE2-CE1 3.9Å; H1038-H1114 AromaticContact NE2-CG 3.95Å; H1038-H1114 AromaticContact NE2-ND1 3.18Å; H1038-H1114 PolarHBondContact NE2-ND1 2.72Å; H1038-H1114 VanDerWaalsContact NE2-ND1 3.18Å; H1038-H1114 VanDerWaalsContact O-CB 3.3Å; H1038-H1114 WeakPolarHBondContact O-CB 3.33Å; H1038-E1143 WeakPolarHBondContact CB-O 3.48Å
1039	T	38.2	Very low	38.2	Very low	73.6 Å²	73.6	75.4 Å²	75.4	45%	0.452	39%	0.391	S	S	.	.			trans	-122.8	116.5	168.4	-65	0	0	0	0	111.7	T928 F1037 D1041 V1042 Q1064 V1066 E1067 H1114 T1115 V1116	T928-T1039 WeakPolarHBondContact CB-O 3.34Å; T928-T1039 WeakPolarHBondContact CG2-O 3.35Å; F1037-T1039 PolarHBondContact O-N 3.37Å; T1039-D1041 PolarHBondContact O-N 3.31Å; T1039-V1042 HydrophobicContact CG2-CG2 3.48Å; T1039-Q1064 HydrophobicContact CG2-CB 4.2Å; T1039-Q1064 HydrophobicContact CG2-CG 4.28Å; T1039-V1066 PolarHBondContact N-O 3.14Å; T1039-V1066 CarbonylContact O-C 3.57Å; T1039-V1066 WeakPolarHBondContact OG1-CG1 3.25Å; T1039-E1067 PolarHBondContact O-N 3.11Å; T1039-H1114 PolarHBondContact N-O 2.98Å; T1039-H1114 VanDerWaalsContact N-O 3.1Å; T1039-T1115 WeakPolarHBondContact O-CA 3.38Å; T1039-V1116 PolarHBondContact O-N 2.87Å; T1039-V1116 VanDerWaalsContact O-N 3.13Å
1040	A	39.8	Very low	38.1	Very low	41.6 Å²	41.6	74.7 Å²	74.7	34%	0.344	39%	0.389	S	S	.	.			trans	-111.6	0	170.5	0	0	0	0	0	113	E927 T928 K941 T1027 H1038 V1042 Q1064 V1066 V1116	E927-A1040 WeakPolarHBondContact O-CB 3.25Å; T928-A1040 HydrophobicContact CG2-CB 4.11Å; K941-A1040 WeakPolarHBondContact O-CB 3.41Å; T1027-A1040 VanDerWaalsContact CG2-CA 3.41Å; T1027-A1040 HydrophobicContact CG2-CB 3.5Å; T1027-A1040 VanDerWaalsContact CG2-CB 3.5Å; H1038-A1040 PolarHBondContact O-N 3.2Å; A1040-V1042 PolarHBondContact O-N 3.38Å; A1040-V1042 VanDerWaalsContact O-N 3.07Å; A1040-Q1064 PolarHBondContact O-NE2 3.35Å; A1040-V1066 HydrophobicContact CB-CG2 3.98Å; A1040-V1116 HydrophobicContact CB-CG2 4.23Å
1041	D	39.2	Very low	37.9	Very low	72.4 Å²	72.4	75.9 Å²	75.9	39%	0.387	40%	0.401	S	S	.	.				0	0	0	-99	19.5	0	0	0	117.4	H965 Q1025 S1026 T1039 S1043 Q1064 Q1101 N1117	H965-D1041 PolarHBondContact NE2-O 2.88Å; Q1025-D1041 WeakPolarHBondContact CB-OD2 3.39Å; Q1025-D1041 WeakPolarHBondContact CG-OD2 3.35Å; Q1025-D1041 PolarHBondContact NE2-OD2 2.95Å; S1026-D1041 PolarHBondContact N-OD1 2.87Å; T1039-D1041 PolarHBondContact O-N 3.31Å; D1041-S1043 PolarHBondContact O-N 3.04Å; D1041-Q1064 VanDerWaalsContact CA-CD 3.43Å; D1041-Q1064 VanDerWaalsContact CA-NE2 3.26Å; D1041-Q1064 PolarHBondContact OD1-NE2 2.8Å; D1041-Q1064 PolarHBondContact OD1-OE1 3.17Å; D1041-Q1101 PolarHBondContact OD1-NE2 2.81Å; D1041-Q1101 PolarHBondContact OD2-NE2 3.03Å; D1041-N1117 WeakPolarHBondContact OD1-CB 3.39Å; D1041-N1117 PolarHBondContact OD1-N 3.11Å; D1041-N1117 PolarHBondContact OD1-ND2 3.19Å; D1041-N1117 PolarHBondContact OD2-ND2 3.03Å
1042	V	40.7	Very low	37.8	Very low	39.8 Å²	39.8	77.9 Å²	77.9	24%	0.241	41%	0.411	C	S	.	.				0	108.9	0	-173	0	0	0	0	112.5	A943 V963 T1039 A1040 V1044 I1062 Q1064 Q1101 V1103 T1115 V1116 N1117 G1119	A943-V1042 HydrophobicContact CB-CG2 4.37Å; V963-V1042 HydrophobicContact CB-CG1 3.48Å; V963-V1042 VanDerWaalsContact CB-CG1 3.48Å; V963-V1042 HydrophobicContact CG1-CG1 3.44Å; V963-V1042 VanDerWaalsContact CG1-CG1 3.44Å; V963-V1042 HydrophobicContact CG2-CG1 4.26Å; T1039-V1042 HydrophobicContact CG2-CG2 3.48Å; A1040-V1042 PolarHBondContact O-N 3.38Å; A1040-V1042 VanDerWaalsContact O-N 3.07Å; V1042-V1044 PolarHBondContact O-N 3.07Å; V1042-I1062 HydrophobicContact CB-CD1 3.86Å; V1042-I1062 HydrophobicContact CB-CG2 3.56Å; V1042-I1062 HydrophobicContact CG1-CB 4.35Å; V1042-I1062 HydrophobicContact CG1-CD1 3.75Å; V1042-I1062 HydrophobicContact CG1-CG1 4.17Å; V1042-I1062 HydrophobicContact CG1-CG2 3.31Å; V1042-I1062 HydrophobicContact CG2-CD1 4.07Å; V1042-I1062 HydrophobicContact CG2-CG2 4.08Å; V1042-Q1064 HydrophobicContact CG2-CB 3.81Å; V1042-Q1064 HydrophobicContact CG2-CG 4.45Å; V1042-Q1101 WeakPolarHBondContact O-CB 3.35Å; V1042-Q1101 PolarHBondContact O-NE2 2.85Å; V1042-V1103 HydrophobicContact CB-CG2 4.5Å; V1042-V1103 HydrophobicContact CG2-CG1 4.24Å; V1042-V1103 HydrophobicContact CG2-CG2 3.51Å; V1042-T1115 WeakPolarHBondContact CG1-O 3.36Å; V1042-V1116 HydrophobicContact CG1-CG1 4.4Å; V1042-N1117 PolarHBondContact N-O 2.71Å; V1042-N1117 VanDerWaalsContact N-O 3.13Å; V1042-G1119 PolarHBondContact O-N 3.23Å
1043	S	41.3	Very low	38.1	Very low	50.2 Å²	50.2	76.6 Å²	76.6	35%	0.351	41%	0.407	S	S	.	.			trans	-106.5	140.2	177	76.3	0	0	0	0	113.5	S944 V945 D1041 I1045 V1116 N1117 Q1177	S944-S1043 WeakPolarHBondContact CA-O 3.39Å; V945-S1043 PolarHBondContact N-O 3.2Å; V945-S1043 VanDerWaalsContact N-O 3.13Å; D1041-S1043 PolarHBondContact O-N 3.04Å; S1043-I1045 VanDerWaalsContact C-N 3.31Å; S1043-I1045 WeakPolarHBondContact O-CG1 3.38Å; S1043-I1045 PolarHBondContact O-N 3.46Å; S1043-V1116 CarbonylContact O-C 3.6Å; S1043-V1116 WeakPolarHBondContact O-CA 3.25Å; S1043-N1117 WeakPolarHBondContact CB-OD1 3.41Å; S1043-N1117 PolarHBondContact O-N 2.94Å; S1043-N1117 PolarHBondContact OG-OD1 3.39Å; S1043-Q1177 PolarHBondContact O-NE2 2.8Å
1044	V	46.5	Very low	38.2	Very low	42 Å²	42	75 Å²	75	26%	0.255	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	115.5	175.8	165	0	0	0	0	111.3	A961 V963 V1042 H1046 V1060 I1062 A1100 Q1101 G1119 L1120 D1121	A961-V1044 HydrophobicContact CB-CB 4.42Å; A961-V1044 HydrophobicContact CB-CG1 3.55Å; A961-V1044 HydrophobicContact CB-CG2 3.92Å; V963-V1044 HydrophobicContact CG2-CG2 3.62Å; V1042-V1044 PolarHBondContact O-N 3.07Å; V1044-H1046 VanDerWaalsContact C-N 3.33Å; V1044-H1046 PolarHBondContact O-N 3.05Å; V1044-V1060 HydrophobicContact CB-CB 4.39Å; V1044-V1060 HydrophobicContact CB-CG1 3.74Å; V1044-V1060 HydrophobicContact CB-CG2 3.93Å; V1044-V1060 HydrophobicContact CG1-CG1 4.46Å; V1044-V1060 HydrophobicContact CG1-CG2 4.02Å; V1044-V1060 HydrophobicContact CG2-CG1 4.01Å; V1044-V1060 HydrophobicContact CG2-CG2 4Å; V1044-I1062 HydrophobicContact CG2-CD1 4.06Å; V1044-I1062 HydrophobicContact CG2-CG1 4.45Å; V1044-A1100 HydrophobicContact CG1-CB 4.34Å; V1044-A1100 HydrophobicContact CG2-CB 3.75Å; V1044-Q1101 HydrophobicContact CB-CB 3.8Å; V1044-Q1101 HydrophobicContact CB-CG 4.39Å; V1044-Q1101 HydrophobicContact CG1-CB 3.65Å; V1044-Q1101 HydrophobicContact CG1-CG 3.68Å; V1044-G1119 PolarHBondContact N-O 3.12Å; V1044-L1120 HydrophobicContact CB-CD1 4.05Å; V1044-L1120 HydrophobicContact CG1-CD1 4.21Å; V1044-L1120 WeakPolarHBondContact O-CD1 3.38Å; V1044-D1121 PolarHBondContact O-N 2.95Å
1045	I	38.9	Very low	38.6	Very low	95.8 Å²	95.8	75.2 Å²	75.2	49%	0.491	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	119.8	178.7	-55.9	173.9	0	0	0	110.3	V945 S1043 N1117 G1119 D1121	V945-I1045 PolarHBondContact O-N 3.08Å; S1043-I1045 VanDerWaalsContact C-N 3.31Å; S1043-I1045 WeakPolarHBondContact O-CG1 3.38Å; S1043-I1045 PolarHBondContact O-N 3.46Å; I1045-N1117 VanDerWaalsContact CB-O 3.28Å; I1045-N1117 WeakPolarHBondContact CB-O 2.85Å; I1045-N1117 HydrophobicContact CD1-CB 4.06Å; I1045-N1117 HydrophobicContact CG1-CB 4.16Å; I1045-N1117 WeakPolarHBondContact CG1-O 3.34Å; I1045-N1117 PolarHBondContact N-O 3.37Å; I1045-G1119 WeakPolarHBondContact O-CA 3.43Å; I1045-D1121 HydrophobicContact CG1-CB 4.27Å; I1045-D1121 HydrophobicContact CG2-CB 4.41Å
1046	H	44.9	Very low	39.2	Very low	65.8 Å²	65.8	76.2 Å²	76.2	31%	0.305	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	119	175.8	-170.3	-73	0	0	0	112.2	H947 L959 V1044 E1048 L1058 D1121 H1122 T1123	H947-H1046 AromaticContact ND1-CD2 3.93Å; H947-H1046 AromaticContact ND1-CE1 3.83Å; L959-H1046 WeakPolarHBondContact CD1-NE2 3.45Å; V1044-H1046 VanDerWaalsContact C-N 3.33Å; V1044-H1046 PolarHBondContact O-N 3.05Å; H1046-E1048 PolarHBondContact CE1-N 3.35Å; H1046-E1048 PolarHBondContact CE1-O 3.41Å; H1046-E1048 IonicContact CE1-OE2 3.9Å; H1046-E1048 PolarHBondContact CE1-OE2 3.2Å; H1046-E1048 VanDerWaalsContact CE1-OE2 3.32Å; H1046-E1048 PolarHBondContact ND1-N 2.81Å; H1046-L1058 HydrophobicContact CB-CD1 3.5Å; H1046-L1058 VanDerWaalsContact CB-CD1 3.5Å; H1046-L1058 HydrophobicContact CB-CD2 4.1Å; H1046-L1058 HydrophobicContact CB-CG 4.33Å; H1046-L1058 VanDerWaalsContact CD2-CD1 3.42Å; H1046-L1058 WeakPolarHBondContact CD2-CD1 3.3Å; H1046-D1121 PolarHBondContact N-O 3.09Å; H1046-D1121 VanDerWaalsContact N-O 3.14Å; H1046-H1122 HydrophobicContact CB-CB 4.19Å; H1046-H1122 AromaticContact CE1-CD2 3.56Å; H1046-H1122 AromaticContact ND1-CD2 3.49Å; H1046-H1122 PolarHBondContact ND1-CD2 3.23Å; H1046-H1122 AromaticContact ND1-CG 3.7Å; H1046-H1122 AromaticContact ND1-NE2 3.39Å; H1046-H1122 PolarHBondContact ND1-NE2 2.95Å; H1046-H1122 WeakPolarHBondContact O-CA 3.34Å; H1046-T1123 PolarHBondContact O-N 3.19Å; H1046-T1123 VanDerWaalsContact O-N 3.14Å
1047	S	40.3	Very low	39.7	Very low	51 Å²	51	77 Å²	77	36%	0.357	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	106.9	179.8	-113.9	0	0	0	0	112.4	K1049 L1120 D1121	S1047-K1049 PolarHBondContact O-NZ 2.78Å; S1047-L1120 WeakPolarHBondContact CB-O 3.24Å; S1047-L1120 PolarHBondContact N-O 2.94Å; S1047-D1121 WeakPolarHBondContact CB-OD2 2.9Å; S1047-D1121 PolarHBondContact OG-OD2 3.34Å
1048	E	43.5	Very low	40.3	Very low	39.8 Å²	39.8	75.3 Å²	75.3	19%	0.186	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	113.7	175.3	-152.7	178.3	-144	0	0	113.7	H1046 S1050 P1051 L1053 K1056 L1120 H1122 T1123 K1125 S1126 K1132	H1046-E1048 PolarHBondContact CE1-N 3.35Å; H1046-E1048 PolarHBondContact CE1-O 3.41Å; H1046-E1048 IonicContact CE1-OE2 3.9Å; H1046-E1048 PolarHBondContact CE1-OE2 3.2Å; H1046-E1048 VanDerWaalsContact CE1-OE2 3.32Å; H1046-E1048 PolarHBondContact ND1-N 2.81Å; E1048-S1050 VanDerWaalsContact CD-N 3.33Å; E1048-S1050 WeakPolarHBondContact OE1-CA 3.44Å; E1048-S1050 VanDerWaalsContact OE1-CB 3.25Å; E1048-S1050 WeakPolarHBondContact OE1-CB 3.47Å; E1048-S1050 PolarHBondContact OE1-N 3.11Å; E1048-S1050 WeakPolarHBondContact OE2-CB 3.35Å; E1048-S1050 PolarHBondContact OE2-N 3.13Å; E1048-S1050 VanDerWaalsContact OE2-N 3.15Å; E1048-S1050 PolarHBondContact OE2-OG 2.82Å; E1048-P1051 WeakPolarHBondContact OE1-CD 3.41Å; E1048-L1053 WeakPolarHBondContact OE1-CB 3.39Å; E1048-L1053 VanDerWaalsContact OE1-CD1 3.26Å; E1048-L1053 WeakPolarHBondContact OE1-CD1 3.42Å; E1048-K1056 VanDerWaalsContact OE1-CD 3.29Å; E1048-K1056 WeakPolarHBondContact OE1-CD 3.34Å; E1048-K1056 VanDerWaalsContact OE1-CE 3.27Å; E1048-K1056 WeakPolarHBondContact OE1-CE 3.34Å; E1048-K1056 IonicContact OE1-NZ 3.01Å; E1048-K1056 PolarHBondContact OE1-NZ 2.9Å; E1048-L1120 HydrophobicContact CB-CD2 4.48Å; E1048-L1120 HydrophobicContact CB-CG 4.28Å; E1048-L1120 HydrophobicContact CG-CG 4.46Å; E1048-H1122 HydrophobicContact CG-CB 4.32Å; E1048-H1122 IonicContact OE2-CE1 2.82Å; E1048-H1122 PolarHBondContact OE2-CE1 3.15Å; E1048-H1122 IonicContact OE2-ND1 2.86Å; E1048-H1122 PolarHBondContact OE2-ND1 3.27Å; E1048-T1123 PolarHBondContact N-O 3.42Å; E1048-K1125 PolarHBondContact O-N 2.74Å; E1048-S1126 PolarHBondContact O-OG 3.3Å; E1048-K1132 IonicContact OE1-NZ 3.79Å; E1048-K1132 PolarHBondContact OE1-NZ 2.92Å; E1048-K1132 WeakPolarHBondContact OE2-CE 3.37Å; E1048-K1132 IonicContact OE2-NZ 3.6Å; E1048-K1132 PolarHBondContact OE2-NZ 2.95Å
1049	K	37.9	Very low	40.8	Very low	127.4 Å²	127.4	74.7 Å²	74.7	55%	0.554	41%	0.407	S	S	*	.			trans	-99.1	26.9	173.7	-53.7	161	-174.7	145.6	0	115.8	E948 S1047 D1121	E948-K1049 WeakPolarHBondContact OE1-CD 3.27Å; E948-K1049 WeakPolarHBondContact OE1-CE 3.35Å; E948-K1049 IonicContact OE1-NZ 2.78Å; E948-K1049 PolarHBondContact OE1-NZ 3.27Å; E948-K1049 IonicContact OE2-NZ 2.73Å; E948-K1049 PolarHBondContact OE2-NZ 2.89Å; S1047-K1049 PolarHBondContact O-NZ 2.78Å; K1049-D1121 IonicContact NZ-OD1 3.82Å; K1049-D1121 PolarHBondContact NZ-OD1 2.73Å; K1049-D1121 IonicContact NZ-OD2 3.68Å; K1049-D1121 PolarHBondContact NZ-OD2 3.35Å
1050	S	38.7	Very low	41.1	Very low	48 Å²	48	72.6 Å²	72.6	34%	0.336	39%	0.394	S	S	.	.			trans	-133.9	122.5	176.7	-63.5	0	0	0	0	115.2	E1048 L1052 S1126	E1048-S1050 VanDerWaalsContact CD-N 3.33Å; E1048-S1050 WeakPolarHBondContact OE1-CA 3.44Å; E1048-S1050 VanDerWaalsContact OE1-CB 3.25Å; E1048-S1050 WeakPolarHBondContact OE1-CB 3.47Å; E1048-S1050 PolarHBondContact OE1-N 3.11Å; E1048-S1050 WeakPolarHBondContact OE2-CB 3.35Å; E1048-S1050 PolarHBondContact OE2-N 3.13Å; E1048-S1050 VanDerWaalsContact OE2-N 3.15Å; E1048-S1050 PolarHBondContact OE2-OG 2.82Å; S1050-L1052 PolarHBondContact O-N 3.07Å; S1050-S1126 PolarHBondContact N-OG 2.94Å; S1050-S1126 PolarHBondContact O-OG 3.08Å
1051	P	34.6	Very low	41.4	Very low	85.4 Å²	85.4	72.5 Å²	72.5	56%	0.555	39%	0.389	S	S	*	.	S	Bend	trans	-94.2	29.2	-162.2	35.6	-34.4	0	0	0	115.8	E1048	E1048-P1051 WeakPolarHBondContact OE1-CD 3.41Å
1052	L	33.8	Very low	41.7	Very low	133.2 Å²	133.2	71.1 Å²	71.1	70%	0.697	38%	0.381	S	S	*	.			trans	-141.6	90.2	-179.7	-88.2	158.6	0	0	0	113.3	S1050	S1050-L1052 PolarHBondContact O-N 3.07Å
1053	L	39.3	Very low	41.7	Very low	70.8 Å²	70.8	70.5 Å²	70.5	37%	0.371	38%	0.383	S	S	.	.			trans	-151.9	111.7	166.5	-76.9	172.4	0	0	0	113.6	T954 E1048 K1056 P1127 L1129 K1132	T954-L1053 WeakPolarHBondContact O-CD2 3.38Å; E1048-L1053 WeakPolarHBondContact OE1-CB 3.39Å; E1048-L1053 VanDerWaalsContact OE1-CD1 3.26Å; E1048-L1053 WeakPolarHBondContact OE1-CD1 3.42Å; L1053-K1056 HydrophobicContact CD1-CD 4.36Å; L1053-K1056 VanDerWaalsContact CD1-NZ 3.28Å; L1053-P1127 HydrophobicContact CD1-CB 4.45Å; L1053-L1129 WeakPolarHBondContact O-CD2 3.48Å; L1053-K1132 WeakPolarHBondContact O-CE 3.36Å
1054	V	35.6	Very low	41.7	Very low	94.2 Å²	94.2	70.8 Å²	70.8	57%	0.571	38%	0.379	S	S	*	.			trans	-91.8	148.8	172.9	-172.1	0	0	0	0	109.7
1055	N	43.1	Very low	41.2	Very low	120.2 Å²	120.2	71.9 Å²	71.9	64%	0.643	39%	0.389	S	S	*	.			trans	71.2	80.4	166.2	-70.5	-36	0	0	0	115.6
1056	K	43.2	Very low	41.3	Very low	77.2 Å²	77.2	69.3 Å²	69.3	34%	0.336	38%	0.377	S	S	.	.			trans	-117.1	135.4	169.2	-68.9	-176.7	176.8	177.9	0	111.6	K957 E1048 L1053 E1124 L1129 K1132 K1133	K957-K1056 WeakPolarHBondContact O-CG 3.38Å; E1048-K1056 VanDerWaalsContact OE1-CD 3.29Å; E1048-K1056 WeakPolarHBondContact OE1-CD 3.34Å; E1048-K1056 VanDerWaalsContact OE1-CE 3.27Å; E1048-K1056 WeakPolarHBondContact OE1-CE 3.34Å; E1048-K1056 IonicContact OE1-NZ 3.01Å; E1048-K1056 PolarHBondContact OE1-NZ 2.9Å; L1053-K1056 HydrophobicContact CD1-CD 4.36Å; L1053-K1056 VanDerWaalsContact CD1-NZ 3.28Å; K1056-E1124 IonicContact NZ-OE1 2.84Å; K1056-E1124 PolarHBondContact NZ-OE1 3.02Å; K1056-E1124 IonicContact NZ-OE2 3.57Å; K1056-E1124 PolarHBondContact NZ-OE2 2.85Å; K1056-L1129 WeakPolarHBondContact CE-O 3.43Å; K1056-K1132 HydrophobicContact CB-CD 4.23Å; K1056-K1132 HydrophobicContact CB-CG 4.43Å; K1056-K1132 VanDerWaalsContact O-CA 3.27Å; K1056-K1132 WeakPolarHBondContact O-CA 3.23Å; K1056-K1132 VanDerWaalsContact O-CB 3.24Å; K1056-K1132 WeakPolarHBondContact O-CB 3.35Å; K1056-K1132 VanDerWaalsContact O-CG 3.26Å; K1056-K1132 WeakPolarHBondContact O-CG 3.47Å; K1056-K1133 PolarHBondContact O-N 3.05Å
1057	K	44.6	Very low	40.7	Very low	108.4 Å²	108.4	71.1 Å²	71.1	47%	0.471	39%	0.386	S	S	.	.			trans	-119.4	132.9	159.6	-159	-162.6	-179.5	-168.7	0	110.4	L959 Q1059 H1098 K1133 Q1135	L959-K1057 PolarHBondContact N-O 2.83Å; K1057-Q1059 HydrophobicContact CD-CB 4.49Å; K1057-H1098 PolarHBondContact NZ-NE2 2.92Å; K1057-K1133 HydrophobicContact CG-CB 4.37Å; K1057-Q1135 VanDerWaalsContact CE-OE1 3.29Å; K1057-Q1135 VanDerWaalsContact NZ-OE1 3.16Å
1058	L	46.3	Very low	40.3	Very low	58.6 Å²	58.6	72.2 Å²	72.2	31%	0.307	39%	0.388	S	S	.	.			trans	-100.9	139	162.3	-123.8	75	0	0	0	109.1	L959 H1046 V1060 H1098 L1120 D1121 H1122 K1133 L1134 Q1135 H1174	L959-L1058 HydrophobicContact CB-CD1 3.89Å; L959-L1058 HydrophobicContact CD1-CD1 4.07Å; H1046-L1058 HydrophobicContact CB-CD1 3.5Å; H1046-L1058 VanDerWaalsContact CB-CD1 3.5Å; H1046-L1058 HydrophobicContact CB-CD2 4.1Å; H1046-L1058 HydrophobicContact CB-CG 4.33Å; H1046-L1058 VanDerWaalsContact CD2-CD1 3.42Å; H1046-L1058 WeakPolarHBondContact CD2-CD1 3.3Å; L1058-V1060 HydrophobicContact CD2-CG2 4.3Å; L1058-H1098 PolarHBondContact O-CE1 3.19Å; L1058-H1098 PolarHBondContact O-NE2 2.82Å; L1058-L1120 HydrophobicContact CD2-CD1 3.81Å; L1058-L1120 HydrophobicContact CD2-CD2 4.24Å; L1058-L1120 HydrophobicContact CD2-CG 3.75Å; L1058-L1120 HydrophobicContact CG-CD1 4.29Å; L1058-D1121 WeakPolarHBondContact CD2-O 3.47Å; L1058-H1122 HydrophobicContact CB-CB 4.07Å; L1058-H1122 HydrophobicContact CD1-CB 4.42Å; L1058-H1122 HydrophobicContact CD2-CB 3.52Å; L1058-H1122 HydrophobicContact CG-CB 4.17Å; L1058-K1133 PolarHBondContact N-O 2.99Å; L1058-L1134 HydrophobicContact CB-CD2 3.65Å; L1058-L1134 HydrophobicContact CD2-CD2 4.04Å; L1058-L1134 HydrophobicContact CG-CD2 4.47Å; L1058-L1134 CarbonylContact O-C 3.42Å; L1058-Q1135 PolarHBondContact O-N 2.95Å; L1058-H1174 HydrophobicContact CB-CB 4.26Å; L1058-H1174 HydrophobicContact CD2-CB 4.41Å; L1058-H1174 WeakPolarHBondContact CD2-ND1 3.17Å; L1058-H1174 HydrophobicContact CG-CB 4.1Å
1059	Q	45.9	Very low	39.6	Very low	72.6 Å²	72.6	73.8 Å²	73.8	34%	0.339	40%	0.4	S	S	.	.			trans	-144	122.2	169.7	-172.3	170.5	-18.6	0	0	109.7	K958 L959 Q960 A961 K1057 T1061 T1096 V1097 Q1135 V1173 H1174	K958-Q1059 VanDerWaalsContact NZ-OE1 3.1Å; L959-Q1059 PolarHBondContact O-N 3.22Å; Q960-Q1059 WeakPolarHBondContact CA-O 3.42Å; A961-Q1059 PolarHBondContact N-O 3.11Å; K1057-Q1059 HydrophobicContact CD-CB 4.49Å; Q1059-T1061 PolarHBondContact NE2-OG1 2.78Å; Q1059-T1096 HydrophobicContact CG-CG2 3.74Å; Q1059-V1097 VanDerWaalsContact CG-O 3.28Å; Q1059-V1097 WeakPolarHBondContact CG-O 3.28Å; Q1059-Q1135 CarbonylContact C-O 3.46Å; Q1059-Q1135 VanDerWaalsContact CA-O 3.26Å; Q1059-Q1135 WeakPolarHBondContact CA-O 3.4Å; Q1059-Q1135 HydrophobicContact CG-CB 4.45Å; Q1059-V1173 CarbonylContact O-C 3.2Å; Q1059-V1173 VanDerWaalsContact O-CA 3.23Å; Q1059-V1173 WeakPolarHBondContact O-CA 3.31Å; Q1059-H1174 PolarHBondContact O-N 3Å
1060	V	43.9	Very low	39.2	Very low	29.4 Å²	29.4	72 Å²	72	18%	0.178	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	148.3	176.4	-175.3	0	0	0	0	108.8	V1044 L1058 I1062 T1096 V1097 H1098 C1099 G1119 L1120 Q1135 A1136 T1137 V1173 H1174 C1175	V1044-V1060 HydrophobicContact CB-CB 4.39Å; V1044-V1060 HydrophobicContact CB-CG1 3.74Å; V1044-V1060 HydrophobicContact CB-CG2 3.93Å; V1044-V1060 HydrophobicContact CG1-CG1 4.46Å; V1044-V1060 HydrophobicContact CG1-CG2 4.02Å; V1044-V1060 HydrophobicContact CG2-CG1 4.01Å; V1044-V1060 HydrophobicContact CG2-CG2 4Å; L1058-V1060 HydrophobicContact CD2-CG2 4.3Å; V1060-I1062 HydrophobicContact CG1-CD1 3.75Å; V1060-I1062 HydrophobicContact CG1-CG1 4.08Å; V1060-T1096 CarbonylContact O-C 3.15Å; V1060-T1096 WeakPolarHBondContact O-CA 3.34Å; V1060-V1097 VanDerWaalsContact C-C 3.46Å; V1060-V1097 PolarHBondContact N-O 2.72Å; V1060-V1097 CarbonylContact O-C 3.59Å; V1060-V1097 PolarHBondContact O-N 3.48Å; V1060-H1098 VanDerWaalsContact CB-CA 3.48Å; V1060-C1099 HydrophobicContact CB-CB 4.16Å; V1060-C1099 HydrophobicContact CG1-CB 3.85Å; V1060-C1099 WeakPolarHBondContact CG1-SG 3.48Å; V1060-G1119 WeakPolarHBondContact CG1-O 2.98Å; V1060-L1120 HydrophobicContact CB-CB 3.93Å; V1060-L1120 HydrophobicContact CB-CD1 3.78Å; V1060-L1120 HydrophobicContact CB-CG 4.13Å; V1060-L1120 HydrophobicContact CG2-CB 3.86Å; V1060-L1120 HydrophobicContact CG2-CD1 3.91Å; V1060-L1120 HydrophobicContact CG2-CG 3.64Å; V1060-Q1135 PolarHBondContact N-O 2.82Å; V1060-Q1135 VanDerWaalsContact O-O 3.1Å; V1060-A1136 CarbonylContact O-C 3.6Å; V1060-A1136 WeakPolarHBondContact O-CA 3.35Å; V1060-T1137 PolarHBondContact O-N 3.08Å; V1060-T1137 VanDerWaalsContact O-N 3.15Å; V1060-V1173 HydrophobicContact CB-CG1 4.06Å; V1060-V1173 HydrophobicContact CG1-CB 4.45Å; V1060-V1173 HydrophobicContact CG1-CG1 3.32Å; V1060-V1173 WeakPolarHBondContact O-CG2 3.06Å; V1060-H1174 WeakPolarHBondContact CG1-O 3.44Å; V1060-H1174 WeakPolarHBondContact CG2-O 3.34Å; V1060-C1175 HydrophobicContact CG1-CB 3.93Å
1061	T	47.2	Very low	38.7	Very low	40.4 Å²	40.4	74.5 Å²	74.5	25%	0.248	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	124.1	171.8	-60.9	0	0	0	0	109	A961 V962 V963 Q1059 T1096 V1097 Q1104 T1137 V1173	A961-T1061 PolarHBondContact O-N 2.82Å; A961-T1061 VanDerWaalsContact O-N 3.08Å; V962-T1061 VanDerWaalsContact CA-O 3.27Å; V962-T1061 WeakPolarHBondContact CA-O 3.36Å; V962-T1061 WeakPolarHBondContact CG1-O 3.41Å; V963-T1061 PolarHBondContact N-O 3.13Å; Q1059-T1061 PolarHBondContact NE2-OG1 2.78Å; T1061-T1096 VanDerWaalsContact OG1-CA 3.29Å; T1061-T1096 WeakPolarHBondContact OG1-CA 3.46Å; T1061-T1096 PolarHBondContact OG1-N 3.21Å; T1061-V1097 HydrophobicContact CG2-CG2 4.36Å; T1061-V1097 PolarHBondContact OG1-N 3.18Å; T1061-Q1104 HydrophobicContact CG2-CB 3.92Å; T1061-Q1104 HydrophobicContact CG2-CG 3.66Å; T1061-T1137 VanDerWaalsContact CA-O 3.27Å; T1061-T1137 WeakPolarHBondContact CA-O 3.37Å; T1061-V1173 VanDerWaalsContact OG1-CG2 3.22Å; T1061-V1173 WeakPolarHBondContact OG1-CG2 3.29Å
1062	I	46	Very low	38.2	Very low	42.2 Å²	42.2	77.2 Å²	77.2	22%	0.216	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	134.4	173	-53.9	173.7	0	0	0	107.2	V963 S1026 T1027 Q1028 V1042 V1044 V1060 C1099 Q1101 V1103 V1118 T1137 R1139	V963-I1062 HydrophobicContact CB-CG1 4.49Å; S1026-I1062 WeakPolarHBondContact O-CB 3Å; S1026-I1062 WeakPolarHBondContact O-CG2 2.95Å; T1027-I1062 CarbonylContact C-O 3.03Å; Q1028-I1062 PolarHBondContact N-O 2.93Å; V1042-I1062 HydrophobicContact CB-CD1 3.86Å; V1042-I1062 HydrophobicContact CB-CG2 3.56Å; V1042-I1062 HydrophobicContact CG1-CB 4.35Å; V1042-I1062 HydrophobicContact CG1-CD1 3.75Å; V1042-I1062 HydrophobicContact CG1-CG1 4.17Å; V1042-I1062 HydrophobicContact CG1-CG2 3.31Å; V1042-I1062 HydrophobicContact CG2-CD1 4.07Å; V1042-I1062 HydrophobicContact CG2-CG2 4.08Å; V1044-I1062 HydrophobicContact CG2-CD1 4.06Å; V1044-I1062 HydrophobicContact CG2-CG1 4.45Å; V1060-I1062 HydrophobicContact CG1-CD1 3.75Å; V1060-I1062 HydrophobicContact CG1-CG1 4.08Å; I1062-C1099 HydrophobicContact CD1-CB 3.88Å; I1062-C1099 HydrophobicContact CG1-CB 3.89Å; I1062-Q1101 HydrophobicContact CD1-CB 4.21Å; I1062-Q1101 HydrophobicContact CD1-CG 3.67Å; I1062-Q1101 WeakPolarHBondContact CD1-O 3.26Å; I1062-Q1101 WeakPolarHBondContact CG1-O 3.35Å; I1062-V1103 CarbonylContact C-O 3.33Å; I1062-V1103 WeakPolarHBondContact CA-O 3.26Å; I1062-V1103 HydrophobicContact CG2-CG2 3.73Å; I1062-V1118 HydrophobicContact CB-CB 4.03Å; I1062-V1118 HydrophobicContact CB-CG1 3.66Å; I1062-V1118 HydrophobicContact CB-CG2 3.36Å; I1062-V1118 HydrophobicContact CD1-CB 4.33Å; I1062-V1118 HydrophobicContact CD1-CG1 3.65Å; I1062-V1118 HydrophobicContact CD1-CG2 4.03Å; I1062-V1118 HydrophobicContact CG1-CG1 4.09Å; I1062-V1118 HydrophobicContact CG1-CG2 4.45Å; I1062-V1118 HydrophobicContact CG2-CB 4.34Å; I1062-V1118 HydrophobicContact CG2-CG1 4.48Å; I1062-V1118 HydrophobicContact CG2-CG2 3.33Å; I1062-T1137 PolarHBondContact N-O 3.12Å; I1062-T1137 VanDerWaalsContact N-O 3.13Å; I1062-R1139 PolarHBondContact O-N 3.05Å
1063	G	40.9	Very low	37.9	Very low	27 Å²	27	76.8 Å²	76.8	28%	0.278	43%	0.426	S	S	.	.			trans	-131.3	150.5	179.5	0	0	0	0	0	111.8	V963 Y964 T1027 Q1028 V1103 Q1104 R1139	V963-G1063 PolarHBondContact O-N 2.97Å; Y964-G1063 WeakPolarHBondContact CA-O 3.22Å; T1027-G1063 CarbonylContact C-O 3.53Å; T1027-G1063 WeakPolarHBondContact CA-O 3.43Å; T1027-G1063 WeakPolarHBondContact CB-O 3.01Å; T1027-G1063 VanDerWaalsContact CG2-O 3.29Å; T1027-G1063 WeakPolarHBondContact CG2-O 3.38Å; Q1028-G1063 VanDerWaalsContact N-CA 3.35Å; Q1028-G1063 PolarHBondContact N-O 3.32Å; G1063-V1103 PolarHBondContact N-O 3.43Å; G1063-Q1104 CarbonylContact C-O 3.52Å; G1063-Q1104 WeakPolarHBondContact CA-O 3.45Å; G1063-R1139 WeakPolarHBondContact CA-O 3.15Å
1064	Q	41.2	Very low	37.4	Very low	56.4 Å²	56.4	80.3 Å²	80.3	26%	0.264	45%	0.445	S	S	.	.			trans	-114.8	139.4	177	-154.4	166.5	3.9	0	0	111.3	T1029 T1039 A1040 D1041 V1042 V1066 Q1104 T1105 F1113 T1115 V1116 N1117 R1139 Q1140 S1141	T1029-Q1064 WeakPolarHBondContact CA-O 2.98Å; T1029-Q1064 WeakPolarHBondContact CB-O 3.39Å; T1029-Q1064 PolarHBondContact OG1-O 2.73Å; T1039-Q1064 HydrophobicContact CG2-CB 4.2Å; T1039-Q1064 HydrophobicContact CG2-CG 4.28Å; A1040-Q1064 PolarHBondContact O-NE2 3.35Å; D1041-Q1064 VanDerWaalsContact CA-CD 3.43Å; D1041-Q1064 VanDerWaalsContact CA-NE2 3.26Å; D1041-Q1064 PolarHBondContact OD1-NE2 2.8Å; D1041-Q1064 PolarHBondContact OD1-OE1 3.17Å; V1042-Q1064 HydrophobicContact CG2-CB 3.81Å; V1042-Q1064 HydrophobicContact CG2-CG 4.45Å; Q1064-V1066 HydrophobicContact CB-CG2 4.3Å; Q1064-V1066 HydrophobicContact CG-CG2 3.09Å; Q1064-Q1104 PolarHBondContact N-O 3.13Å; Q1064-T1105 WeakPolarHBondContact CA-OG1 3.41Å; Q1064-T1105 PolarHBondContact N-OG1 3.04Å; Q1064-T1105 PolarHBondContact O-OG1 3.36Å; Q1064-F1113 VanDerWaalsContact NE2-CD1 3.35Å; Q1064-F1113 VanDerWaalsContact NE2-CE1 3.32Å; Q1064-T1115 PolarHBondContact NE2-O 3.31Å; Q1064-V1116 HydrophobicContact CB-CB 4.4Å; Q1064-V1116 HydrophobicContact CB-CG1 3.49Å; Q1064-V1116 VanDerWaalsContact CB-CG1 3.49Å; Q1064-V1116 HydrophobicContact CB-CG2 4.45Å; Q1064-V1116 HydrophobicContact CG-CB 3.85Å; Q1064-V1116 HydrophobicContact CG-CG1 3.47Å; Q1064-V1116 VanDerWaalsContact CG-CG1 3.47Å; Q1064-V1116 HydrophobicContact CG-CG2 3.75Å; Q1064-V1116 VanDerWaalsContact NE2-CA 3.26Å; Q1064-V1116 VanDerWaalsContact O-CG2 3.24Å; Q1064-V1116 WeakPolarHBondContact O-CG2 3.35Å; Q1064-N1117 PolarHBondContact OE1-O 3.49Å; Q1064-R1139 PolarHBondContact N-O 2.93Å; Q1064-Q1140 HydrophobicContact CB-CG 4.42Å; Q1064-Q1140 VanDerWaalsContact O-CA 3.29Å; Q1064-Q1140 WeakPolarHBondContact O-CA 3.4Å; Q1064-Q1140 PolarHBondContact OE1-O 2.75Å; Q1064-S1141 PolarHBondContact NE2-O 3.07Å; Q1064-S1141 PolarHBondContact O-N 3.02Å; Q1064-S1141 VanDerWaalsContact O-N 3.15Å; Q1064-S1141 PolarHBondContact O-OG 3.08Å
1065	S	36.2	Very low	37.1	Very low	65.8 Å²	65.8	80.8 Å²	80.8	46%	0.46	45%	0.45	S	S	.	.			trans	-145	151.4	167.5	161.9	0	0	0	0	111.3	T1029 S1141 V1142	T1029-S1065 VanDerWaalsContact CG2-OG 3.23Å; T1029-S1065 WeakPolarHBondContact CG2-OG 3.12Å; S1065-S1141 VanDerWaalsContact CA-O 3.28Å; S1065-S1141 WeakPolarHBondContact CA-O 3.34Å; S1065-S1141 PolarHBondContact OG-OG 3.05Å; S1065-V1142 CarbonylContact C-O 3.5Å; S1065-V1142 WeakPolarHBondContact CB-O 3.33Å; S1065-V1142 WeakPolarHBondContact O-CB 3.23Å
1066	V	40.1	Very low	36.4	Very low	41.2 Å²	41.2	83.5 Å²	83.5	25%	0.25	46%	0.461	C	S	.	.			trans	-151.6	129.2	176	-165.8	0	0	0	0	109	F1037 H1038 T1039 A1040 Q1064 N1068 F1113 H1114 T1115 V1116 S1141 V1142 E1143	F1037-V1066 HydrophobicContact CB-CG2 4.41Å; F1037-V1066 HydrophobicContact CZ-CG2 4.49Å; H1038-V1066 CarbonylContact C-O 3.51Å; H1038-V1066 WeakPolarHBondContact CA-O 3.42Å; H1038-V1066 WeakPolarHBondContact CB-O 3.33Å; H1038-V1066 PolarHBondContact CD2-O 2.99Å; H1038-V1066 VanDerWaalsContact CG-C 3.5Å; T1039-V1066 PolarHBondContact N-O 3.14Å; T1039-V1066 CarbonylContact O-C 3.57Å; T1039-V1066 WeakPolarHBondContact OG1-CG1 3.25Å; A1040-V1066 HydrophobicContact CB-CG2 3.98Å; Q1064-V1066 HydrophobicContact CB-CG2 4.3Å; Q1064-V1066 HydrophobicContact CG-CG2 3.09Å; V1066-N1068 WeakPolarHBondContact CG1-OD1 3.44Å; V1066-F1113 HydrophobicContact CB-CZ 4.34Å; V1066-F1113 HydrophobicContact CG2-CE1 3.76Å; V1066-F1113 HydrophobicContact CG2-CZ 4.14Å; V1066-H1114 WeakPolarHBondContact CB-CE1 3.33Å; V1066-H1114 WeakPolarHBondContact CB-ND1 3.42Å; V1066-H1114 HydrophobicContact CG1-CB 3.89Å; V1066-H1114 WeakPolarHBondContact CG1-ND1 3.41Å; V1066-H1114 PolarHBondContact O-CD2 3.29Å; V1066-T1115 VanDerWaalsContact CG1-O 3.28Å; V1066-T1115 WeakPolarHBondContact CG1-O 3.33Å; V1066-V1116 HydrophobicContact CG2-CG2 4.02Å; V1066-S1141 PolarHBondContact N-O 2.75Å; V1066-S1141 VanDerWaalsContact N-O 3.17Å; V1066-V1142 CarbonylContact C-O 3.51Å; V1066-V1142 WeakPolarHBondContact CA-O 3.48Å; V1066-V1142 HydrophobicContact CB-CG2 4.38Å; V1066-V1142 HydrophobicContact CG1-CB 4.42Å; V1066-V1142 PolarHBondContact N-O 3.23Å; V1066-V1142 WeakPolarHBondContact O-CA 3.29Å; V1066-E1143 PolarHBondContact O-N 3.12Å
1067	E	31.7	Very low	35.7	Very low	104 Å²	104	84.2 Å²	84.2	49%	0.486	48%	0.481	S	S	.	.			trans	-122.2	123.4	178.7	-98.2	169.6	97.9	0	0	110.5	T930 K935 V963 L1031 R1034 M1036 H1038 T1039 T1069 E1143 N1144 T1147	T930-E1067 WeakPolarHBondContact CG2-OE2 3.34Å; K935-E1067 VanDerWaalsContact CE-OE1 3.29Å; K935-E1067 WeakPolarHBondContact CE-OE1 3.37Å; K935-E1067 IonicContact NZ-OE1 2.68Å; K935-E1067 PolarHBondContact NZ-OE1 3.17Å; V963-E1067 WeakPolarHBondContact CG2-OE2 3.37Å; L1031-E1067 HydrophobicContact CD1-CB 3.56Å; L1031-E1067 HydrophobicContact CD1-CG 3.61Å; L1031-E1067 VanDerWaalsContact CD1-OE2 3.28Å; L1031-E1067 WeakPolarHBondContact CD1-OE2 3.15Å; R1034-E1067 WeakPolarHBondContact O-CB 3.32Å; M1036-E1067 HydrophobicContact CB-CB 4.36Å; M1036-E1067 HydrophobicContact CB-CG 4.19Å; M1036-E1067 PolarHBondContact N-OE1 2.94Å; H1038-E1067 HydrophobicContact CB-CB 3.74Å; H1038-E1067 WeakPolarHBondContact CD2-CA 3.37Å; H1038-E1067 WeakPolarHBondContact CD2-CB 3.35Å; H1038-E1067 WeakPolarHBondContact CD2-CG 3.09Å; H1038-E1067 PolarHBondContact CD2-N 3.2Å; H1038-E1067 WeakPolarHBondContact CE1-CA 3.45Å; H1038-E1067 WeakPolarHBondContact CE1-CB 3.48Å; H1038-E1067 WeakPolarHBondContact CE1-CG 3.44Å; H1038-E1067 PolarHBondContact CE1-N 3.47Å; H1038-E1067 PolarHBondContact CE1-O 2.81Å; H1038-E1067 IonicContact CE1-OE1 2.71Å; H1038-E1067 PolarHBondContact CE1-OE1 3.06Å; H1038-E1067 IonicContact CE1-OE2 2.64Å; H1038-E1067 VanDerWaalsContact CG-C 3.44Å; H1038-E1067 VanDerWaalsContact CG-N 3.29Å; H1038-E1067 WeakPolarHBondContact ND1-CA 3.36Å; H1038-E1067 WeakPolarHBondContact ND1-CB 3.39Å; H1038-E1067 IonicContact ND1-OE1 3.23Å; H1038-E1067 WeakPolarHBondContact NE2-CA 3.38Å; H1038-E1067 WeakPolarHBondContact NE2-CB 3.37Å; H1038-E1067 WeakPolarHBondContact NE2-CG 3.38Å; H1038-E1067 PolarHBondContact NE2-N 2.75Å; H1038-E1067 IonicContact NE2-OE1 2.91Å; H1038-E1067 PolarHBondContact NE2-OE1 3.05Å; H1038-E1067 IonicContact NE2-OE2 2.81Å; T1039-E1067 PolarHBondContact O-N 3.11Å; E1067-T1069 VanDerWaalsContact C-N 3.25Å; E1067-T1069 WeakPolarHBondContact CG-OG1 3.2Å; E1067-T1069 PolarHBondContact O-N 3.2Å; E1067-T1069 PolarHBondContact OE1-OG1 2.99Å; E1067-E1143 WeakPolarHBondContact CA-O 3.38Å; E1067-N1144 PolarHBondContact O-N 2.92Å; E1067-T1147 HydrophobicContact CB-CG2 3.8Å; E1067-T1147 HydrophobicContact CG-CG2 3.74Å; E1067-T1147 WeakPolarHBondContact OE1-CG2 3.28Å
1068	N	33.3	Very low	34.9	Very low	74 Å²	74	86.2 Å²	86.2	40%	0.396	49%	0.492	S	S	.	.			trans	-112	99.9	168.9	-97	-25	0	0	0	110	P938 P1035 M1036 F1037 H1038 V1066 S1070 E1109 Q1110 E1143 N1144 T1145 T1147	P938-N1068 HydrophobicContact CG-CB 4.24Å; P1035-N1068 VanDerWaalsContact C-N 3.28Å; P1035-N1068 CarbonylContact O-C 2.94Å; P1035-N1068 PolarHBondContact O-N 3.49Å; P1035-N1068 VanDerWaalsContact O-O 3.11Å; M1036-N1068 HydrophobicContact CE-CB 4.36Å; M1036-N1068 WeakPolarHBondContact CE-O 3.46Å; M1036-N1068 WeakPolarHBondContact CG-O 3.3Å; F1037-N1068 PolarHBondContact N-ND2 2.76Å; F1037-N1068 VanDerWaalsContact N-ND2 3.19Å; F1037-N1068 WeakPolarHBondContact O-CA 3.38Å; F1037-N1068 WeakPolarHBondContact O-CB 3.43Å; F1037-N1068 PolarHBondContact O-N 2.98Å; F1037-N1068 PolarHBondContact O-ND2 3.12Å; F1037-N1068 PolarHBondContact O-OD1 3.49Å; H1038-N1068 PolarHBondContact CE1-N 3.36Å; H1038-N1068 VanDerWaalsContact CE1-N 3.3Å; H1038-N1068 PolarHBondContact CE1-O 3.08Å; H1038-N1068 VanDerWaalsContact ND1-CA 3.35Å; H1038-N1068 WeakPolarHBondContact ND1-CA 3.47Å; H1038-N1068 PolarHBondContact ND1-N 3.16Å; H1038-N1068 PolarHBondContact ND1-O 2.91Å; V1066-N1068 WeakPolarHBondContact CG1-OD1 3.44Å; N1068-S1070 PolarHBondContact O-N 3.41Å; N1068-E1109 PolarHBondContact ND2-OE1 2.78Å; N1068-Q1110 PolarHBondContact ND2-OE1 2.86Å; N1068-E1143 PolarHBondContact N-O 3.17Å; N1068-N1144 WeakPolarHBondContact CA-O 3.37Å; N1068-N1144 WeakPolarHBondContact CB-O 3.38Å; N1068-N1144 PolarHBondContact ND2-OD1 2.64Å; N1068-N1144 PolarHBondContact OD1-O 2.88Å; N1068-N1144 VanDerWaalsContact OD1-O 3.08Å; N1068-T1145 PolarHBondContact O-N 3.49Å; N1068-T1145 PolarHBondContact OD1-OG1 3.16Å; N1068-T1147 PolarHBondContact O-OG1 3.05Å
1069	T	29.1	Very low	34	Very low	74 Å²	74	88.9 Å²	88.9	45%	0.454	51%	0.51	S	S	.	.			trans	-110.8	117.9	177.9	-53.8	0	0	0	0	110.3	P938 P1035 H1038 E1067 T1071 T1145	P938-T1069 WeakPolarHBondContact CB-O 3.45Å; P1035-T1069 WeakPolarHBondContact CD-O 3.07Å; P1035-T1069 HydrophobicContact CG-CG2 4.39Å; P1035-T1069 VanDerWaalsContact O-CB 3.3Å; P1035-T1069 WeakPolarHBondContact O-CB 3.32Å; P1035-T1069 PolarHBondContact O-OG1 3.14Å; H1038-T1069 PolarHBondContact CE1-N 3.39Å; E1067-T1069 VanDerWaalsContact C-N 3.25Å; E1067-T1069 WeakPolarHBondContact CG-OG1 3.2Å; E1067-T1069 PolarHBondContact O-N 3.2Å; E1067-T1069 PolarHBondContact OE1-OG1 2.99Å; T1069-T1071 HydrophobicContact CG2-CG2 4Å; T1069-T1071 PolarHBondContact O-N 2.96Å; T1069-T1071 PolarHBondContact O-OG1 2.98Å; T1069-T1145 PolarHBondContact N-OG1 3.27Å
1070	S	29.3	Very low	33.2	Very low	88 Å²	88	89.5 Å²	89.5	62%	0.615	52%	0.52	S	S	*	.			trans	-95.9	126.5	172	-172.5	0	0	0	0	110.6	N1068 Q1072 T1147	N1068-S1070 PolarHBondContact O-N 3.41Å; S1070-Q1072 PolarHBondContact O-N 2.99Å; S1070-T1147 VanDerWaalsContact CB-OG1 3.26Å; S1070-T1147 WeakPolarHBondContact CB-OG1 3.43Å; S1070-T1147 PolarHBondContact OG-OG1 2.56Å
1071	T	27.4	Very low	32.5	Very low	101.6 Å²	101.6	93.3 Å²	93.3	62%	0.623	54%	0.544	S	S	*	.			trans	-111.2	128.6	-175.2	8.5	0	0	0	0	112.1	I936 I937 T1069 T1073	I936-T1071 HydrophobicContact CG2-CG2 4.35Å; I937-T1071 WeakPolarHBondContact CA-OG1 3.49Å; I937-T1071 PolarHBondContact N-OG1 2.92Å; I937-T1071 WeakPolarHBondContact O-CG2 3.34Å; I937-T1071 PolarHBondContact O-OG1 3.03Å; T1069-T1071 HydrophobicContact CG2-CG2 4Å; T1069-T1071 PolarHBondContact O-N 2.96Å; T1069-T1071 PolarHBondContact O-OG1 2.98Å; T1071-T1073 PolarHBondContact O-N 3.38Å
1072	Q	24.5	Very low	31.7	Very low	142.8 Å²	142.8	95.6 Å²	95.6	67%	0.667	56%	0.558	S	S	*	*			trans	-96.1	146.7	174.4	-169.5	174.7	-13.2	0	0	110.5	S1070 D1074 T1149 D1150	S1070-Q1072 PolarHBondContact O-N 2.99Å; Q1072-D1074 PolarHBondContact O-N 2.84Å; Q1072-T1149 PolarHBondContact NE2-OG1 3.19Å; Q1072-D1150 PolarHBondContact NE2-OD1 2.9Å
1073	T	27.6	Very low	31.2	Very low	124.8 Å²	124.8	98 Å²	98	77%	0.766	57%	0.57	S	S	*	*			trans	-115.6	136.4	-179.9	-48.7	0	0	0	0	111.7	T1071	T1071-T1073 PolarHBondContact O-N 3.38Å
1074	D	28.3	Very low	31	Very low	144 Å²	144	99.2 Å²	99.2	77%	0.77	57%	0.574	S	S	*	*			trans	-56.7	134.5	174.8	-104.2	1.9	0	0	0	114.8	Q1072 M1076	Q1072-D1074 PolarHBondContact O-N 2.84Å; D1074-M1076 PolarHBondContact O-N 3.2Å; D1074-M1076 VanDerWaalsContact O-N 3.1Å
1075	P	29.2	Very low	31.2	Very low	103.6 Å²	103.6	100.2 Å²	100.2	67%	0.673	58%	0.577	S	S	*	*			trans	-95.6	129.5	-179.7	33.8	-30.9	0	0	0	113.8	A1077 M1152	P1075-A1077 PolarHBondContact O-N 3.44Å; P1075-M1152 HydrophobicContact CB-CB 4.23Å; P1075-M1152 HydrophobicContact CG-CB 3.93Å; P1075-M1152 HydrophobicContact CG-CE 3.62Å; P1075-M1152 HydrophobicContact CG-CG 4.16Å
1076	M	28.1	Very low	32.1	Very low	178.4 Å²	178.4	98.7 Å²	98.7	88%	0.879	57%	0.565	S	S	*	*			trans	-102.3	126.3	170.3	-96.5	-173.2	-24	0	0	114.1	D1074 Q1078	D1074-M1076 PolarHBondContact O-N 3.2Å; D1074-M1076 VanDerWaalsContact O-N 3.1Å; M1076-Q1078 WeakPolarHBondContact O-CA 3.21Å; M1076-Q1078 WeakPolarHBondContact O-CG 3.45Å; M1076-Q1078 PolarHBondContact O-N 3.36Å; M1076-Q1078 VanDerWaalsContact O-N 3.1Å; M1076-Q1078 PolarHBondContact O-OE1 2.88Å
1077	A	29.7	Very low	32.6	Very low	91.6 Å²	91.6	97.7 Å²	97.7	76%	0.757	56%	0.559	S	S	*	*			trans	-65.8	122.5	167.1	0	0	0	0	0	112.2	P1075 V1079	P1075-A1077 PolarHBondContact O-N 3.44Å; A1077-V1079 VanDerWaalsContact C-N 3.28Å; A1077-V1079 PolarHBondContact O-N 3.15Å
1078	Q	27	Very low	34.2	Very low	149.6 Å²	149.6	94.5 Å²	94.5	70%	0.699	54%	0.544	S	S	*	.			trans	-89.2	119.3	-170.7	-65.7	166.5	2	0	0	113.1	M1076 M1152 A1153 V1155	M1076-Q1078 WeakPolarHBondContact O-CA 3.21Å; M1076-Q1078 WeakPolarHBondContact O-CG 3.45Å; M1076-Q1078 PolarHBondContact O-N 3.36Å; M1076-Q1078 VanDerWaalsContact O-N 3.1Å; M1076-Q1078 PolarHBondContact O-OE1 2.88Å; Q1078-M1152 VanDerWaalsContact NE2-CE 3.28Å; Q1078-M1152 PolarHBondContact NE2-O 3.48Å; Q1078-M1152 PolarHBondContact NE2-SD 2.78Å; Q1078-A1153 HydrophobicContact CG-CB 4.25Å; Q1078-A1153 PolarHBondContact OE1-O 2.89Å; Q1078-V1155 HydrophobicContact CB-CG2 4.4Å
1079	V	28.4	Very low	35.9	Very low	115.2 Å²	115.2	94 Å²	94	70%	0.698	54%	0.541	S	S	*	.			trans	-118.8	134.6	175.4	-177.1	0	0	0	0	109.9	L1005 A1077 T1081	L1005-V1079 HydrophobicContact CD2-CG1 4.23Å; A1077-V1079 VanDerWaalsContact C-N 3.28Å; A1077-V1079 PolarHBondContact O-N 3.15Å; V1079-T1081 VanDerWaalsContact C-N 3.3Å; V1079-T1081 PolarHBondContact O-N 3.17Å; V1079-T1081 PolarHBondContact O-OG1 3.03Å
1080	P	27.7	Very low	37.6	Very low	84.6 Å²	84.6	92.1 Å²	92.1	55%	0.549	53%	0.529	S	S	.	.			trans	-65.5	130.6	179.1	-13.8	22.6	0	0	0	113.9	W1004 V1082 V1155	W1004-P1080 HydrophobicContact CE3-CB 4.32Å; W1004-P1080 HydrophobicContact CH2-CB 3.32Å; W1004-P1080 HydrophobicContact CH2-CG 3.96Å; W1004-P1080 HydrophobicContact CZ2-CB 3.72Å; W1004-P1080 HydrophobicContact CZ2-CG 3.81Å; W1004-P1080 HydrophobicContact CZ3-CB 3.65Å; P1080-V1082 VanDerWaalsContact C-N 3.33Å; P1080-V1082 PolarHBondContact O-N 3.03Å; P1080-V1155 HydrophobicContact CB-CG1 4.04Å; P1080-V1155 HydrophobicContact CB-CG2 4.08Å; P1080-V1155 HydrophobicContact CG-CG1 4.44Å; P1080-V1155 HydrophobicContact CG-CG2 3.82Å
1081	T	28.6	Very low	39.4	Very low	109.6 Å²	109.6	88.5 Å²	88.5	67%	0.672	50%	0.503	S	S	*	.			trans	-106.7	112.2	179.4	-62.9	0	0	0	0	110.5	L1005 V1079 L1083	L1005-T1081 HydrophobicContact CD2-CG2 4.09Å; V1079-T1081 VanDerWaalsContact C-N 3.3Å; V1079-T1081 PolarHBondContact O-N 3.17Å; V1079-T1081 PolarHBondContact O-OG1 3.03Å; T1081-L1083 HydrophobicContact CG2-CD1 4.27Å; T1081-L1083 PolarHBondContact O-N 2.98Å; T1081-L1083 VanDerWaalsContact O-N 3.08Å
1082	V	31.1	Very low	41.1	Very low	88.6 Å²	88.6	85.4 Å²	85.4	54%	0.537	49%	0.485	S	S	.	.			trans	-96.4	120.4	174.7	-176.5	0	0	0	0	109	W1004 T1007 P1080	W1004-V1082 HydrophobicContact CE3-CG2 3.75Å; W1004-V1082 HydrophobicContact CZ3-CG2 3.63Å; T1007-V1082 HydrophobicContact CG2-CB 4.08Å; T1007-V1082 HydrophobicContact CG2-CG1 3.96Å; T1007-V1082 VanDerWaalsContact CG2-O 3.26Å; T1007-V1082 WeakPolarHBondContact CG2-O 3.43Å; P1080-V1082 VanDerWaalsContact C-N 3.33Å; P1080-V1082 PolarHBondContact O-N 3.03Å
1083	L	36.1	Very low	42.8	Very low	92.8 Å²	92.8	80.3 Å²	80.3	49%	0.486	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-74.6	149.6	177.4	-87.3	92.7	0	0	0	111.9	T1007 T1081 K1085 T1157 L1159 P1160	T1007-L1083 WeakPolarHBondContact CB-O 3.45Å; T1007-L1083 WeakPolarHBondContact CG2-O 3.38Å; T1007-L1083 PolarHBondContact OG1-O 2.95Å; T1081-L1083 HydrophobicContact CG2-CD1 4.27Å; T1081-L1083 PolarHBondContact O-N 2.98Å; T1081-L1083 VanDerWaalsContact O-N 3.08Å; L1083-K1085 PolarHBondContact O-N 2.94Å; L1083-T1157 HydrophobicContact CD1-CG2 4.1Å; L1083-L1159 HydrophobicContact CD1-CD2 4.28Å; L1083-L1159 HydrophobicContact CD2-CD2 3.75Å; L1083-P1160 HydrophobicContact CB-CB 4.41Å; L1083-P1160 HydrophobicContact CB-CG 3.99Å; L1083-P1160 HydrophobicContact CD2-CG 4.41Å; L1083-P1160 WeakPolarHBondContact O-CG 3.22Å
1084	P	36.5	Very low	44.2	Very low	52.8 Å²	52.8	76.2 Å²	76.2	34%	0.343	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-75.8	146.2	178.8	31.2	-34.9	0	0	0	112.3	K1008 K1010 T1086 P1160	K1008-P1084 HydrophobicContact CB-CB 4.44Å; K1008-P1084 VanDerWaalsContact O-CA 3.25Å; K1008-P1084 WeakPolarHBondContact O-CA 3.45Å; K1008-P1084 WeakPolarHBondContact O-CB 3.29Å; K1008-P1084 WeakPolarHBondContact O-CG 3.19Å; K1010-P1084 HydrophobicContact CD-CG 4.47Å; K1010-P1084 HydrophobicContact CG-CB 4.47Å; K1010-P1084 HydrophobicContact CG-CG 4.2Å; P1084-T1086 PolarHBondContact O-N 2.9Å; P1084-P1160 WeakPolarHBondContact O-CB 3.23Å; P1084-P1160 WeakPolarHBondContact O-CG 3.38Å
1085	K	45.9	Very low	45.7	Very low	78 Å²	78	70.1 Å²	70.1	34%	0.339	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-66.5	138.2	167.5	-173.4	-159.3	175.8	-156.5	0	110.1	T1009 K1010 L1083 T1087 P1160 K1161 T1163 D1165	T1009-K1085 CarbonylContact C-O 3.39Å; T1009-K1085 VanDerWaalsContact CA-O 3.3Å; T1009-K1085 WeakPolarHBondContact CA-O 3.32Å; T1009-K1085 HydrophobicContact CG2-CB 4.39Å; T1009-K1085 WeakPolarHBondContact CG2-O 3.47Å; K1010-K1085 PolarHBondContact N-O 2.96Å; K1010-K1085 VanDerWaalsContact N-O 3.15Å; L1083-K1085 PolarHBondContact O-N 2.94Å; K1085-T1087 HydrophobicContact CD-CG2 3.82Å; K1085-T1087 WeakPolarHBondContact CE-OG1 3.43Å; K1085-T1087 VanDerWaalsContact NZ-CG2 3.28Å; K1085-T1087 PolarHBondContact NZ-OG1 3.08Å; K1085-P1160 HydrophobicContact CB-CB 4.31Å; K1085-P1160 HydrophobicContact CB-CG 4.47Å; K1085-K1161 VanDerWaalsContact CD-O 3.25Å; K1085-K1161 WeakPolarHBondContact CD-O 3.42Å; K1085-K1161 VanDerWaalsContact CE-O 3.3Å; K1085-K1161 WeakPolarHBondContact CE-O 3.38Å; K1085-K1161 WeakPolarHBondContact CG-O 3.48Å; K1085-K1161 PolarHBondContact NZ-O 2.82Å; K1085-T1163 PolarHBondContact NZ-O 2.73Å; K1085-T1163 PolarHBondContact NZ-OG1 3.06Å; K1085-T1163 VanDerWaalsContact NZ-OG1 3.08Å; K1085-D1165 IonicContact NZ-OD1 3.3Å; K1085-D1165 PolarHBondContact NZ-OD1 2.86Å; K1085-D1165 IonicContact NZ-OD2 3.97Å; K1085-D1165 PolarHBondContact NZ-OD2 2.86Å
1086	T	54.4	Low	47.2	Very low	34 Å²	34	66.6 Å²	66.6	21%	0.209	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	139.2	168.6	-37.6	0	0	0	0	109.5	K1010 F1012 P1084 F1088 T1163	K1010-T1086 HydrophobicContact CB-CG2 4.28Å; K1010-T1086 HydrophobicContact CD-CG2 4.35Å; K1010-T1086 CarbonylContact O-C 3.46Å; K1010-T1086 WeakPolarHBondContact O-CA 3.34Å; F1012-T1086 HydrophobicContact CD2-CG2 4.09Å; F1012-T1086 HydrophobicContact CE2-CG2 4.03Å; P1084-T1086 PolarHBondContact O-N 2.9Å; T1086-F1088 HydrophobicContact CG2-CD2 4.1Å; T1086-F1088 HydrophobicContact CG2-CE1 4.42Å; T1086-F1088 HydrophobicContact CG2-CE2 3.52Å; T1086-F1088 HydrophobicContact CG2-CZ 3.91Å; T1086-F1088 WeakPolarHBondContact OG1-CE2 3.38Å; T1086-T1163 PolarHBondContact O-N 3.37Å
1087	T	51.4	Low	48.7	Very low	20 Å²	20	59.7 Å²	59.7	12%	0.123	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	146	169.2	24	0	0	0	0	108.7	T1009 K1010 T1011 F1012 K1085 D1089 T1163 D1165	T1009-T1087 HydrophobicContact CG2-CG2 4.48Å; K1010-T1087 PolarHBondContact O-N 2.98Å; K1010-T1087 VanDerWaalsContact O-N 3.16Å; T1011-T1087 VanDerWaalsContact CA-OG1 3.3Å; T1011-T1087 WeakPolarHBondContact CA-OG1 3.39Å; T1011-T1087 HydrophobicContact CG2-CG2 4.46Å; T1011-T1087 WeakPolarHBondContact CG2-OG1 3.01Å; F1012-T1087 PolarHBondContact N-O 3.12Å; K1085-T1087 HydrophobicContact CD-CG2 3.82Å; K1085-T1087 WeakPolarHBondContact CE-OG1 3.43Å; K1085-T1087 VanDerWaalsContact NZ-CG2 3.28Å; K1085-T1087 PolarHBondContact NZ-OG1 3.08Å; T1087-D1089 VanDerWaalsContact CB-OD1 3.3Å; T1087-D1089 WeakPolarHBondContact CB-OD1 3.49Å; T1087-D1089 WeakPolarHBondContact CB-OD2 3.28Å; T1087-D1089 WeakPolarHBondContact CG2-OD1 3.38Å; T1087-D1089 VanDerWaalsContact OG1-CG 3.28Å; T1087-D1089 PolarHBondContact OG1-OD1 3.16Å; T1087-D1089 PolarHBondContact OG1-OD2 2.83Å; T1087-T1163 HydrophobicContact CG2-CG2 3.93Å; T1087-T1163 WeakPolarHBondContact CG2-OG1 3.49Å; T1087-D1165 VanDerWaalsContact CA-OD1 3.25Å; T1087-D1165 WeakPolarHBondContact CA-OD1 3.35Å; T1087-D1165 WeakPolarHBondContact CB-OD1 3.1Å
1088	F	63.8	Low	50.2	Low	36.6 Å²	36.6	58.6 Å²	58.6	16%	0.161	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	115	172.7	-60.7	-88.2	0	0	0	107.9	F1012 Q1015 T1086 V1090 V1091 T1162 T1163 F1164 D1165 V1166	F1012-F1088 HydrophobicContact CB-CD1 3.94Å; F1012-F1088 HydrophobicContact CB-CE1 4.09Å; F1012-F1088 HydrophobicContact CB-CG 4.4Å; F1012-F1088 AromaticContact CD2-CD1 3.76Å; F1012-F1088 HydrophobicContact CD2-CD1 3.87Å; F1012-F1088 VanDerWaalsContact CD2-CD1 3.5Å; F1012-F1088 AromaticContact CD2-CE1 3.51Å; F1012-F1088 HydrophobicContact CD2-CE1 3.51Å; F1012-F1088 VanDerWaalsContact CD2-CE1 3.44Å; F1012-F1088 HydrophobicContact CD2-CG 4.47Å; F1012-F1088 AromaticContact CD2-CZ 3.83Å; F1012-F1088 HydrophobicContact CD2-CZ 4.09Å; F1012-F1088 HydrophobicContact CE2-CD1 4.2Å; F1012-F1088 AromaticContact CE2-CE1 3.9Å; F1012-F1088 HydrophobicContact CE2-CE1 3.9Å; F1012-F1088 HydrophobicContact CE2-CZ 4.16Å; F1012-F1088 AromaticContact CG-CD1 3.89Å; F1012-F1088 HydrophobicContact CG-CD1 4.18Å; F1012-F1088 AromaticContact CG-CE1 3.87Å; F1012-F1088 HydrophobicContact CG-CE1 4.19Å; F1012-F1088 WeakPolarHBondContact O-CA 3.38Å; Q1015-F1088 HydrophobicContact CB-CD1 4.04Å; Q1015-F1088 HydrophobicContact CB-CE1 4.15Å; Q1015-F1088 HydrophobicContact CG-CD1 3.91Å; Q1015-F1088 HydrophobicContact CG-CE1 3.95Å; T1086-F1088 HydrophobicContact CG2-CD2 4.1Å; T1086-F1088 HydrophobicContact CG2-CE1 4.42Å; T1086-F1088 HydrophobicContact CG2-CE2 3.52Å; T1086-F1088 HydrophobicContact CG2-CZ 3.91Å; T1086-F1088 WeakPolarHBondContact OG1-CE2 3.38Å; F1088-V1090 VanDerWaalsContact C-N 3.28Å; F1088-V1090 PolarHBondContact O-N 3.01Å; F1088-V1091 HydrophobicContact CB-CG2 3.56Å; F1088-V1091 VanDerWaalsContact CB-CG2 3.43Å; F1088-V1091 HydrophobicContact CD1-CG2 4.25Å; F1088-V1091 HydrophobicContact CD2-CG2 3.88Å; F1088-V1091 HydrophobicContact CG-CG2 4.02Å; F1088-T1162 HydrophobicContact CD2-CG2 4.42Å; F1088-T1162 HydrophobicContact CE2-CG2 4.29Å; F1088-T1163 PolarHBondContact N-O 3.17Å; F1088-T1163 VanDerWaalsContact N-O 3.13Å; F1088-F1164 HydrophobicContact CB-CD1 3.9Å; F1088-F1164 HydrophobicContact CB-CE1 4.14Å; F1088-F1164 HydrophobicContact CB-CG 4.48Å; F1088-F1164 AromaticContact CD2-CD1 3.81Å; F1088-F1164 HydrophobicContact CD2-CD1 3.86Å; F1088-F1164 AromaticContact CD2-CE1 3.46Å; F1088-F1164 HydrophobicContact CD2-CE1 3.46Å; F1088-F1164 VanDerWaalsContact CD2-CE1 3.45Å; F1088-F1164 AromaticContact CD2-CZ 3.88Å; F1088-F1164 HydrophobicContact CD2-CZ 4.03Å; F1088-F1164 AromaticContact CE2-CE1 3.91Å; F1088-F1164 HydrophobicContact CE2-CE1 4.05Å; F1088-F1164 HydrophobicContact CE2-CZ 4.25Å; F1088-F1164 AromaticContact CG-CD1 3.9Å; F1088-F1164 HydrophobicContact CG-CD1 4.11Å; F1088-F1164 AromaticContact CG-CE1 3.74Å; F1088-F1164 HydrophobicContact CG-CE1 4.02Å; F1088-F1164 WeakPolarHBondContact O-CA 3.41Å; F1088-D1165 PolarHBondContact N-OD1 3.44Å; F1088-D1165 PolarHBondContact O-N 3.3Å; F1088-V1166 PolarHBondContact O-N 2.81Å
1089	D	69.3	Low	51.8	Low	63.6 Å²	63.6	52.4 Å²	52.4	34%	0.34	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	-34.5	-172.3	-53.5	10.5	0	0	0	109.3	F1012 D1013 I1014 T1087 D1165 V1166	F1012-D1089 PolarHBondContact N-OD1 2.81Å; F1012-D1089 WeakPolarHBondContact O-CA 3.24Å; F1012-D1089 WeakPolarHBondContact O-CB 3.33Å; F1012-D1089 PolarHBondContact O-N 3.02Å; D1013-D1089 WeakPolarHBondContact O-CB 3.21Å; I1014-D1089 PolarHBondContact N-O 3.46Å; T1087-D1089 VanDerWaalsContact CB-OD1 3.3Å; T1087-D1089 WeakPolarHBondContact CB-OD1 3.49Å; T1087-D1089 WeakPolarHBondContact CB-OD2 3.28Å; T1087-D1089 WeakPolarHBondContact CG2-OD1 3.38Å; T1087-D1089 VanDerWaalsContact OG1-CG 3.28Å; T1087-D1089 PolarHBondContact OG1-OD1 3.16Å; T1087-D1089 PolarHBondContact OG1-OD2 2.83Å; D1089-D1165 WeakPolarHBondContact O-CB 3.2Å; D1089-D1165 PolarHBondContact O-N 3.05Å; D1089-V1166 VanDerWaalsContact O-CB 3.29Å; D1089-V1166 WeakPolarHBondContact O-CB 3.49Å; D1089-V1166 VanDerWaalsContact O-CG2 3.25Å; D1089-V1166 WeakPolarHBondContact O-CG2 3.42Å; D1089-V1166 PolarHBondContact O-N 3.01Å
1090	V	65	Low	52.9	Low	34.2 Å²	34.2	48.8 Å²	48.8	21%	0.207	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	120.8	171.4	-174.8	0	0	0	0	112.3	V283 F1012 D1013 I1014 Q1015 F1088 D1165 V1166 V1167	V283-V1090 HydrophobicContact CG1-CG1 4.43Å; V283-V1090 HydrophobicContact CG2-CG2 3.84Å; F1012-V1090 PolarHBondContact O-N 2.76Å; F1012-V1090 VanDerWaalsContact O-N 3.12Å; D1013-V1090 WeakPolarHBondContact O-CB 3.47Å; D1013-V1090 WeakPolarHBondContact O-CG2 3.15Å; D1013-V1090 PolarHBondContact O-N 3.22Å; I1014-V1090 CarbonylContact C-O 3.43Å; I1014-V1090 WeakPolarHBondContact CA-O 3.22Å; I1014-V1090 HydrophobicContact CB-CG1 4.42Å; I1014-V1090 HydrophobicContact CB-CG2 4.42Å; I1014-V1090 HydrophobicContact CD1-CG2 4.4Å; I1014-V1090 HydrophobicContact CG1-CB 4.39Å; I1014-V1090 HydrophobicContact CG2-CB 4.39Å; I1014-V1090 HydrophobicContact CG2-CG1 4.44Å; Q1015-V1090 PolarHBondContact N-O 3.14Å; Q1015-V1090 VanDerWaalsContact N-O 3.09Å; F1088-V1090 VanDerWaalsContact C-N 3.28Å; F1088-V1090 PolarHBondContact O-N 3.01Å; V1090-D1165 PolarHBondContact N-O 2.89Å; V1090-V1166 WeakPolarHBondContact CA-O 3.3Å; V1090-V1166 HydrophobicContact CB-CG2 4.46Å; V1090-V1166 HydrophobicContact CG1-CB 4.27Å; V1090-V1166 HydrophobicContact CG2-CB 4.24Å; V1090-V1166 HydrophobicContact CG2-CG2 4.31Å; V1090-V1167 PolarHBondContact O-N 3.28Å
1091	V	67.9	Low	54	Low	11.2 Å²	11.2	48.2 Å²	48.2	7%	0.068	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	126.9	174.1	-177	0	0	0	0	111	I1014 Q1015 A1016 F1088 Q1093 F1164 V1166 V1167 T1168	I1014-V1091 PolarHBondContact O-N 3.36Å; Q1015-V1091 WeakPolarHBondContact CA-O 3.41Å; Q1015-V1091 WeakPolarHBondContact O-CA 3.36Å; A1016-V1091 PolarHBondContact N-O 2.83Å; F1088-V1091 HydrophobicContact CB-CG2 3.56Å; F1088-V1091 VanDerWaalsContact CB-CG2 3.43Å; F1088-V1091 HydrophobicContact CD1-CG2 4.25Å; F1088-V1091 HydrophobicContact CD2-CG2 3.88Å; F1088-V1091 HydrophobicContact CG-CG2 4.02Å; V1091-Q1093 HydrophobicContact CG1-CG 4.21Å; V1091-F1164 HydrophobicContact CB-CD1 4.39Å; V1091-F1164 HydrophobicContact CG2-CD1 3.9Å; V1091-F1164 HydrophobicContact CG2-CE1 4.17Å; V1091-V1166 PolarHBondContact N-O 3.08Å; V1091-V1167 WeakPolarHBondContact CA-O 3.22Å; V1091-V1167 HydrophobicContact CB-CG2 4.48Å; V1091-V1167 WeakPolarHBondContact O-CA 3.38Å; V1091-T1168 CarbonylContact C-O 3.43Å; V1091-T1168 WeakPolarHBondContact CG1-O 3.15Å; V1091-T1168 CarbonylContact O-C 3.54Å; V1091-T1168 WeakPolarHBondContact O-CA 3.22Å; V1091-T1168 WeakPolarHBondContact O-CB 3.45Å; V1091-T1168 WeakPolarHBondContact O-CG2 3.26Å; V1091-T1168 PolarHBondContact O-N 3.12Å
1092	T	63.3	Low	54.9	Low	38.4 Å²	38.4	43.9 Å²	43.9	24%	0.236	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	129.4	176	-63.1	0	0	0	0	111.6	T361 Q1015 A1016 Q1017 V1167 T1168 Q1169	T361-T1092 HydrophobicContact CG2-CG2 4.24Å; Q1015-T1092 PolarHBondContact O-N 3.06Å; A1016-T1092 CarbonylContact C-O 3.02Å; A1016-T1092 WeakPolarHBondContact CA-O 3.31Å; A1016-T1092 HydrophobicContact CB-CG2 4.1Å; A1016-T1092 WeakPolarHBondContact O-CA 3.46Å; Q1017-T1092 PolarHBondContact N-O 3.09Å; T1092-V1167 PolarHBondContact N-O 3.13Å; T1092-T1168 VanDerWaalsContact CA-O 3.32Å; T1092-T1168 WeakPolarHBondContact CA-O 3.28Å; T1092-T1168 PolarHBondContact N-O 2.95Å; T1092-T1168 WeakPolarHBondContact O-CA 3.03Å; T1092-Q1169 PolarHBondContact O-N 3.49Å
1093	Q	60.5	Low	55.9	Low	35 Å²	35	42.2 Å²	42.2	16%	0.164	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	133.8	179	-76.1	179.6	0.6	0	0	111.5	A1016 Q1017 S1018 I1030 V1091 I1106 T1168 Q1169 S1170 R1215	A1016-Q1093 PolarHBondContact O-N 3.5Å; Q1017-Q1093 WeakPolarHBondContact CA-O 3.35Å; Q1017-Q1093 HydrophobicContact CB-CG 4.36Å; Q1017-Q1093 HydrophobicContact CG-CB 4.36Å; Q1017-Q1093 WeakPolarHBondContact O-CA 3.34Å; Q1017-Q1093 VanDerWaalsContact OE1-NE2 3.17Å; S1018-Q1093 PolarHBondContact N-O 3.27Å; I1030-Q1093 HydrophobicContact CD1-CB 4.25Å; I1030-Q1093 HydrophobicContact CD1-CG 4.27Å; V1091-Q1093 HydrophobicContact CG1-CG 4.21Å; Q1093-I1106 HydrophobicContact CG-CD1 4.08Å; Q1093-T1168 PolarHBondContact N-O 3.08Å; Q1093-Q1169 WeakPolarHBondContact CA-O 3.04Å; Q1093-Q1169 HydrophobicContact CB-CB 4.46Å; Q1093-Q1169 HydrophobicContact CB-CG 4.36Å; Q1093-Q1169 HydrophobicContact CG-CB 4.47Å; Q1093-Q1169 HydrophobicContact CG-CG 4.33Å; Q1093-Q1169 CarbonylContact O-C 3.52Å; Q1093-Q1169 WeakPolarHBondContact O-CA 3.2Å; Q1093-S1170 CarbonylContact O-C 3.47Å; Q1093-S1170 VanDerWaalsContact O-CA 3.28Å; Q1093-S1170 WeakPolarHBondContact O-CA 3.38Å; Q1093-S1170 WeakPolarHBondContact O-CB 3.47Å; Q1093-S1170 PolarHBondContact O-N 2.9Å; Q1093-S1170 VanDerWaalsContact O-N 3.08Å; Q1093-S1170 VanDerWaalsContact O-O 3.13Å; Q1093-R1215 VanDerWaalsContact CB-NH2 3.35Å
1094	S	57	Low	56.4	Low	38.2 Å²	38.2	39.9 Å²	39.9	27%	0.267	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	153.6	173.8	174.2	0	0	0	0	112.4	S363 Q1017 S1018 G1019 Q1104 R1139 Q1169 S1170 G1171	S363-S1094 VanDerWaalsContact OG-CB 3.29Å; S363-S1094 WeakPolarHBondContact OG-CB 3.01Å; S363-S1094 PolarHBondContact OG-OG 3.11Å; Q1017-S1094 PolarHBondContact O-N 3.05Å; Q1017-S1094 VanDerWaalsContact O-N 3.16Å; S1018-S1094 VanDerWaalsContact CA-O 3.32Å; S1018-S1094 WeakPolarHBondContact CA-O 3.27Å; S1018-S1094 VanDerWaalsContact O-CA 3.32Å; S1018-S1094 WeakPolarHBondContact O-CA 3.04Å; S1018-S1094 PolarHBondContact OG-OG 2.87Å; G1019-S1094 PolarHBondContact N-O 2.89Å; S1094-Q1104 PolarHBondContact O-NE2 2.94Å; S1094-Q1104 PolarHBondContact O-OE1 3.24Å; S1094-R1139 PolarHBondContact O-NH2 3.06Å; S1094-Q1169 PolarHBondContact N-O 3.45Å; S1094-S1170 VanDerWaalsContact CA-O 3.31Å; S1094-S1170 WeakPolarHBondContact CA-O 3.12Å; S1094-S1170 WeakPolarHBondContact O-CA 3.5Å; S1094-S1170 WeakPolarHBondContact O-CB 3.49Å; S1094-S1170 PolarHBondContact O-OG 3.3Å; S1094-G1171 PolarHBondContact O-N 3.25Å; S1094-G1171 VanDerWaalsContact O-N 3.15Å
1095	G	59	Low	56.7	Low	15.2 Å²	15.2	39.1 Å²	39.1	16%	0.157	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.6	154.8	175.4	0	0	0	0	0	116.6	S1018 G1019 I1020 Q1104 S1170 G1171 T1172	S1018-G1095 PolarHBondContact O-N 3.17Å; G1019-G1095 CarbonylContact C-O 3.59Å; G1019-G1095 WeakPolarHBondContact CA-O 3.16Å; G1019-G1095 CarbonylContact O-C 3.54Å; G1019-G1095 VanDerWaalsContact O-CA 3.25Å; G1019-G1095 WeakPolarHBondContact O-CA 3.31Å; I1020-G1095 PolarHBondContact N-O 3.47Å; I1020-G1095 VanDerWaalsContact N-O 3.1Å; G1095-Q1104 VanDerWaalsContact CA-NE2 3.25Å; G1095-S1170 PolarHBondContact N-O 3.15Å; G1095-S1170 VanDerWaalsContact N-O 3.15Å; G1095-G1171 CarbonylContact C-O 3.59Å; G1095-G1171 WeakPolarHBondContact CA-O 3.34Å; G1095-G1171 CarbonylContact O-C 3.57Å; G1095-G1171 VanDerWaalsContact O-CA 3.22Å; G1095-G1171 WeakPolarHBondContact O-CA 3.32Å; G1095-T1172 PolarHBondContact O-N 2.93Å; G1095-T1172 VanDerWaalsContact O-N 3.07Å; G1095-T1172 VanDerWaalsContact O-O 3.04Å
1096	T	59.9	Low	56.5	Low	32 Å²	32	37.6 Å²	37.6	20%	0.196	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	128.4	177.1	-60.4	0	0	0	0	111.5	T365 G1019 I1020 V1021 Q1059 V1060 T1061 G1171 T1172 V1173	T365-T1096 PolarHBondContact OG1-OG1 3.13Å; G1019-T1096 PolarHBondContact O-N 3.05Å; I1020-T1096 CarbonylContact C-O 3.54Å; I1020-T1096 VanDerWaalsContact CA-O 3.3Å; I1020-T1096 WeakPolarHBondContact CA-O 3.39Å; I1020-T1096 HydrophobicContact CB-CG2 4.41Å; V1021-T1096 PolarHBondContact N-O 3.05Å; Q1059-T1096 HydrophobicContact CG-CG2 3.74Å; V1060-T1096 CarbonylContact O-C 3.15Å; V1060-T1096 WeakPolarHBondContact O-CA 3.34Å; T1061-T1096 VanDerWaalsContact OG1-CA 3.29Å; T1061-T1096 WeakPolarHBondContact OG1-CA 3.46Å; T1061-T1096 PolarHBondContact OG1-N 3.21Å; T1096-G1171 PolarHBondContact N-O 3.3Å; T1096-T1172 CarbonylContact C-O 3.55Å; T1096-T1172 VanDerWaalsContact CA-O 3.27Å; T1096-T1172 WeakPolarHBondContact CA-O 3.39Å; T1096-T1172 PolarHBondContact OG1-O 3.23Å; T1096-V1173 PolarHBondContact O-N 3.19Å
1097	V	61.2	Low	55.8	Low	32.6 Å²	32.6	38.1 Å²	38.1	20%	0.198	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	134.9	176.7	-172.9	0	0	0	0	110.5	I1020 V1021 V1022 K1023 S1026 Q1059 V1060 T1061 T1172 V1173 H1174	I1020-V1097 PolarHBondContact O-N 3.02Å; V1021-V1097 WeakPolarHBondContact CA-O 3.05Å; V1021-V1097 HydrophobicContact CB-CB 4.37Å; V1021-V1097 HydrophobicContact CB-CG1 4.21Å; V1021-V1097 HydrophobicContact CB-CG2 4.05Å; V1021-V1097 HydrophobicContact CG2-CG2 3.76Å; V1021-V1097 CarbonylContact O-C 3.57Å; V1021-V1097 WeakPolarHBondContact O-CA 3.41Å; V1022-V1097 PolarHBondContact N-O 2.83Å; K1023-V1097 HydrophobicContact CB-CG1 3.63Å; K1023-V1097 HydrophobicContact CG-CG1 3.89Å; S1026-V1097 WeakPolarHBondContact OG-CG1 3.4Å; Q1059-V1097 VanDerWaalsContact CG-O 3.28Å; Q1059-V1097 WeakPolarHBondContact CG-O 3.28Å; V1060-V1097 VanDerWaalsContact C-C 3.46Å; V1060-V1097 PolarHBondContact N-O 2.72Å; V1060-V1097 CarbonylContact O-C 3.59Å; V1060-V1097 PolarHBondContact O-N 3.48Å; T1061-V1097 HydrophobicContact CG2-CG2 4.36Å; T1061-V1097 PolarHBondContact OG1-N 3.18Å; V1097-T1172 PolarHBondContact N-O 3.04Å; V1097-V1173 WeakPolarHBondContact CA-O 3.02Å; V1097-V1173 HydrophobicContact CB-CG1 4.49Å; V1097-V1173 HydrophobicContact CB-CG2 4.38Å; V1097-V1173 HydrophobicContact CG2-CB 4.48Å; V1097-V1173 CarbonylContact O-C 3.53Å; V1097-V1173 WeakPolarHBondContact O-CA 3.45Å; V1097-H1174 PolarHBondContact O-N 3.1Å
1098	H	61	Low	55.1	Low	67.8 Å²	67.8	40.5 Å²	40.5	31%	0.314	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	127	174.5	-146.1	-86.7	0	0	0	111	V1021 V1022 K1023 K1057 L1058 V1060 V1173 H1174 C1175	V1021-H1098 PolarHBondContact O-N 2.94Å; V1022-H1098 CarbonylContact C-O 3.59Å; V1022-H1098 WeakPolarHBondContact CA-O 3.44Å; V1022-H1098 HydrophobicContact CG1-CB 4.5Å; V1022-H1098 HydrophobicContact CG2-CB 4.4Å; K1023-H1098 PolarHBondContact N-O 3.19Å; K1057-H1098 PolarHBondContact NZ-NE2 2.92Å; L1058-H1098 PolarHBondContact O-CE1 3.19Å; L1058-H1098 PolarHBondContact O-NE2 2.82Å; V1060-H1098 VanDerWaalsContact CB-CA 3.48Å; H1098-V1173 PolarHBondContact N-O 3.17Å; H1098-H1174 CarbonylContact C-O 3.47Å; H1098-H1174 WeakPolarHBondContact CA-O 3.34Å; H1098-H1174 WeakPolarHBondContact CB-CE1 3.3Å; H1098-H1174 AromaticContact CD2-CE1 3.38Å; H1098-H1174 PolarHBondContact CD2-CE1 2.83Å; H1098-H1174 AromaticContact CD2-CG 3.83Å; H1098-H1174 AromaticContact CD2-ND1 3.26Å; H1098-H1174 PolarHBondContact CD2-ND1 3.07Å; H1098-H1174 VanDerWaalsContact CD2-ND1 3.34Å; H1098-H1174 AromaticContact CD2-NE2 3.26Å; H1098-H1174 PolarHBondContact CD2-NE2 3.37Å; H1098-H1174 VanDerWaalsContact CD2-NE2 3.26Å; H1098-H1174 AromaticContact CG-CE1 3.28Å; H1098-H1174 AromaticContact CG-ND1 3.93Å; H1098-H1174 AromaticContact CG-NE2 3.53Å; H1098-H1174 AromaticContact ND1-CE1 3.85Å; H1098-H1174 AromaticContact NE2-CE1 3.76Å; H1098-H1174 AromaticContact NE2-ND1 3.05Å; H1098-H1174 PolarHBondContact NE2-ND1 3.04Å; H1098-C1175 WeakPolarHBondContact O-CB 3.14Å
1099	C	60	Low	53.8	Low	20.8 Å²	20.8	43.6 Å²	43.6	14%	0.141	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	148.2	-178.4	93.6	0	0	0	0	115.1	V1022 K1023 T1024 Q1025 S1026 V1060 I1062 Q1101 S1102 H1174 C1175 A1176	V1022-C1099 PolarHBondContact O-N 3.28Å; V1022-C1099 VanDerWaalsContact O-N 3.12Å; K1023-C1099 VanDerWaalsContact CA-SG 3.55Å; K1023-C1099 WeakPolarHBondContact O-CA 3.45Å; K1023-C1099 WeakPolarHBondContact O-CB 3.47Å; T1024-C1099 PolarHBondContact N-SG 3.37Å; T1024-C1099 PolarHBondContact OG1-O 3.16Å; T1024-C1099 PolarHBondContact OG1-SG 3.46Å; Q1025-C1099 VanDerWaalsContact C-SG 3.56Å; Q1025-C1099 PolarHBondContact N-SG 3.42Å; Q1025-C1099 VanDerWaalsContact N-SG 3.37Å; Q1025-C1099 WeakPolarHBondContact O-CB 3.29Å; Q1025-C1099 PolarHBondContact O-SG 3.2Å; S1026-C1099 PolarHBondContact OG-SG 3.21Å; V1060-C1099 HydrophobicContact CB-CB 4.16Å; V1060-C1099 HydrophobicContact CG1-CB 3.85Å; V1060-C1099 WeakPolarHBondContact CG1-SG 3.48Å; I1062-C1099 HydrophobicContact CD1-CB 3.88Å; I1062-C1099 HydrophobicContact CG1-CB 3.89Å; C1099-Q1101 WeakPolarHBondContact CB-O 3Å; C1099-Q1101 PolarHBondContact SG-O 3.18Å; C1099-S1102 VanDerWaalsContact SG-CB 3.51Å; C1099-S1102 PolarHBondContact SG-OG 3.11Å; C1099-S1102 VanDerWaalsContact SG-OG 3.39Å; C1099-H1174 PolarHBondContact N-O 3.29Å; C1099-H1174 VanDerWaalsContact N-O 3.16Å; C1099-C1175 VanDerWaalsContact CA-CB 3.42Å; C1099-C1175 HydrophobicContact CB-CB 4.41Å; C1099-C1175 CarbonylContact O-C 3.49Å; C1099-C1175 WeakPolarHBondContact O-CA 3.47Å; C1099-C1175 WeakPolarHBondContact O-CB 3.24Å; C1099-A1176 PolarHBondContact O-N 3.02Å
1100	A	51.5	Low	52.3	Low	38.2 Å²	38.2	44.6 Å²	44.6	32%	0.316	25%	0.248	S	C	.	.	S	Bend	trans	-104	-35.7	162.1	0	0	0	0	0	111.3	K1023 T1024 Q1025 V1044 C1175 A1176 Q1177	K1023-A1100 PolarHBondContact O-N 2.98Å; K1023-A1100 VanDerWaalsContact O-N 3.14Å; T1024-A1100 WeakPolarHBondContact CA-O 3.38Å; T1024-A1100 HydrophobicContact CG2-CB 4.26Å; T1024-A1100 WeakPolarHBondContact O-CA 3.46Å; T1024-A1100 VanDerWaalsContact O-CB 3.27Å; T1024-A1100 WeakPolarHBondContact O-CB 3.33Å; T1024-A1100 PolarHBondContact O-N 3.4Å; Q1025-A1100 PolarHBondContact N-O 3.09Å; V1044-A1100 HydrophobicContact CG1-CB 4.34Å; V1044-A1100 HydrophobicContact CG2-CB 3.75Å; A1100-C1175 VanDerWaalsContact N-CB 3.26Å; A1100-A1176 CarbonylContact C-O 3.59Å; A1100-A1176 WeakPolarHBondContact CA-O 3.3Å; A1100-A1176 HydrophobicContact CB-CB 3.85Å; A1100-A1176 CarbonylContact O-C 3.02Å; A1100-A1176 VanDerWaalsContact O-C 3.29Å; A1100-A1176 WeakPolarHBondContact O-CA 3.45Å; A1100-A1176 VanDerWaalsContact O-CB 3.32Å; A1100-A1176 WeakPolarHBondContact O-CB 3.3Å; A1100-A1176 PolarHBondContact O-N 2.95Å; A1100-Q1177 WeakPolarHBondContact O-CB 3.37Å; A1100-Q1177 WeakPolarHBondContact O-CG 3.12Å; A1100-Q1177 PolarHBondContact O-N 3.23Å; A1100-Q1177 VanDerWaalsContact O-N 3.17Å
1101	Q	51.1	Low	51.2	Low	72.8 Å²	72.8	45 Å²	45	34%	0.34	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	140.6	174.4	-55.3	179	-47.1	0	0	110.1	Q1025 S1026 D1041 V1042 V1044 I1062 C1099 C1175 A1176 Q1177 S1178	Q1025-Q1101 WeakPolarHBondContact CA-O 3.35Å; Q1025-Q1101 HydrophobicContact CG-CB 4.39Å; Q1025-Q1101 VanDerWaalsContact O-CA 3.31Å; Q1025-Q1101 WeakPolarHBondContact O-CA 3.43Å; S1026-Q1101 PolarHBondContact N-O 3.05Å; S1026-Q1101 VanDerWaalsContact N-O 3.09Å; D1041-Q1101 PolarHBondContact OD1-NE2 2.81Å; D1041-Q1101 PolarHBondContact OD2-NE2 3.03Å; V1042-Q1101 WeakPolarHBondContact O-CB 3.35Å; V1042-Q1101 PolarHBondContact O-NE2 2.85Å; V1044-Q1101 HydrophobicContact CB-CB 3.8Å; V1044-Q1101 HydrophobicContact CB-CG 4.39Å; V1044-Q1101 HydrophobicContact CG1-CB 3.65Å; V1044-Q1101 HydrophobicContact CG1-CG 3.68Å; I1062-Q1101 HydrophobicContact CD1-CB 4.21Å; I1062-Q1101 HydrophobicContact CD1-CG 3.67Å; I1062-Q1101 WeakPolarHBondContact CD1-O 3.26Å; I1062-Q1101 WeakPolarHBondContact CG1-O 3.35Å; C1099-Q1101 WeakPolarHBondContact CB-O 3Å; C1099-Q1101 PolarHBondContact SG-O 3.18Å; Q1101-C1175 WeakPolarHBondContact O-CA 3.16Å; Q1101-C1175 WeakPolarHBondContact O-CB 3.25Å; Q1101-A1176 PolarHBondContact N-O 2.92Å; Q1101-A1176 PolarHBondContact OE1-O 2.74Å; Q1101-Q1177 CarbonylContact C-O 3.09Å; Q1101-Q1177 WeakPolarHBondContact CA-O 3.09Å; Q1101-Q1177 VanDerWaalsContact CA-OE1 3.32Å; Q1101-Q1177 HydrophobicContact CB-CG 4.47Å; Q1101-Q1177 VanDerWaalsContact CB-N 3.29Å; Q1101-Q1177 WeakPolarHBondContact CB-O 3.16Å; Q1101-Q1177 HydrophobicContact CG-CB 4.42Å; Q1101-Q1177 WeakPolarHBondContact O-CA 3.36Å; Q1101-Q1177 VanDerWaalsContact OE1-N 3.08Å; Q1101-S1178 PolarHBondContact O-N 2.8Å
1102	S	47.3	Very low	49.8	Very low	20 Å²	20	46.6 Å²	46.6	14%	0.14	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	142.6	-175.9	38.7	0	0	0	0	113.7	Q1025 S1026 T1027 C1099 M1138 V1173 C1175 Q1177 S1178 V1179	Q1025-S1102 PolarHBondContact O-N 3.35Å; S1026-S1102 WeakPolarHBondContact CA-O 3.34Å; S1026-S1102 WeakPolarHBondContact CB-OG 3.2Å; T1027-S1102 PolarHBondContact N-O 3.12Å; C1099-S1102 VanDerWaalsContact SG-CB 3.51Å; C1099-S1102 PolarHBondContact SG-OG 3.11Å; C1099-S1102 VanDerWaalsContact SG-OG 3.39Å; S1102-M1138 WeakPolarHBondContact CB-SD 3.1Å; S1102-V1173 WeakPolarHBondContact OG-CG1 3.32Å; S1102-C1175 PolarHBondContact OG-SG 3.42Å; S1102-Q1177 WeakPolarHBondContact CB-O 2.93Å; S1102-Q1177 PolarHBondContact N-O 2.86Å; S1102-Q1177 VanDerWaalsContact N-O 3.17Å; S1102-Q1177 VanDerWaalsContact N-OE1 3.16Å; S1102-Q1177 PolarHBondContact OG-O 3.41Å; S1102-S1178 WeakPolarHBondContact CA-O 3.31Å; S1102-S1178 WeakPolarHBondContact CB-OG 3.36Å; S1102-S1178 VanDerWaalsContact O-CB 3.31Å; S1102-S1178 WeakPolarHBondContact O-CB 3.49Å; S1102-V1179 PolarHBondContact O-N 3.42Å; S1102-V1179 VanDerWaalsContact O-N 3.15Å
1103	V	52.7	Low	48.7	Very low	52.8 Å²	52.8	47.4 Å²	47.4	32%	0.32	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	139.1	158.7	-173.7	0	0	0	0	108.8	S1026 T1027 V1042 I1062 G1063 T1105 M1138 Q1140 S1178 V1179 Q1180	S1026-V1103 PolarHBondContact O-N 3.21Å; S1026-V1103 VanDerWaalsContact O-N 3.09Å; T1027-V1103 WeakPolarHBondContact CA-O 3.48Å; T1027-V1103 WeakPolarHBondContact O-CA 3.41Å; V1042-V1103 HydrophobicContact CB-CG2 4.5Å; V1042-V1103 HydrophobicContact CG2-CG1 4.24Å; V1042-V1103 HydrophobicContact CG2-CG2 3.51Å; I1062-V1103 CarbonylContact C-O 3.33Å; I1062-V1103 WeakPolarHBondContact CA-O 3.26Å; I1062-V1103 HydrophobicContact CG2-CG2 3.73Å; G1063-V1103 PolarHBondContact N-O 3.43Å; V1103-T1105 WeakPolarHBondContact CG1-OG1 3.39Å; V1103-M1138 HydrophobicContact CB-CE 4.42Å; V1103-M1138 HydrophobicContact CG1-CE 3.52Å; V1103-M1138 HydrophobicContact CG1-SD 4.28Å; V1103-Q1140 HydrophobicContact CG1-CB 4.09Å; V1103-S1178 PolarHBondContact N-O 3.14Å; V1103-V1179 WeakPolarHBondContact CA-O 3.28Å; V1103-V1179 WeakPolarHBondContact O-CA 3.46Å; V1103-Q1180 HydrophobicContact CG1-CB 3.86Å; V1103-Q1180 PolarHBondContact O-N 2.93Å
1104	Q	45.7	Very low	47.8	Very low	44.6 Å²	44.6	49 Å²	49	21%	0.208	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	135.6	169.9	-167.5	165.9	28	0	0	110.2	T1027 Q1028 T1029 I1030 T1061 G1063 Q1064 S1094 G1095 I1106 M1138 R1139 Q1140 V1179 Q1180 T1181	T1027-Q1104 PolarHBondContact O-N 2.95Å; Q1028-Q1104 WeakPolarHBondContact CA-O 3.41Å; Q1028-Q1104 HydrophobicContact CB-CG 4.47Å; Q1028-Q1104 VanDerWaalsContact CD-NE2 3.27Å; Q1028-Q1104 HydrophobicContact CG-CB 4.47Å; T1029-Q1104 PolarHBondContact N-O 2.91Å; I1030-Q1104 HydrophobicContact CD1-CG 3.88Å; T1061-Q1104 HydrophobicContact CG2-CB 3.92Å; T1061-Q1104 HydrophobicContact CG2-CG 3.66Å; G1063-Q1104 CarbonylContact C-O 3.52Å; G1063-Q1104 WeakPolarHBondContact CA-O 3.45Å; Q1064-Q1104 PolarHBondContact N-O 3.13Å; S1094-Q1104 PolarHBondContact O-NE2 2.94Å; S1094-Q1104 PolarHBondContact O-OE1 3.24Å; G1095-Q1104 VanDerWaalsContact CA-NE2 3.25Å; Q1104-I1106 HydrophobicContact CG-CD1 4.36Å; Q1104-I1106 HydrophobicContact CG-CG1 3.79Å; Q1104-M1138 WeakPolarHBondContact CB-O 3.46Å; Q1104-R1139 HydrophobicContact CB-CB 4.25Å; Q1104-R1139 HydrophobicContact CB-CG 3.85Å; Q1104-Q1140 CarbonylContact C-O 2.97Å; Q1104-V1179 PolarHBondContact N-O 3.27Å; Q1104-Q1180 WeakPolarHBondContact CA-O 3.37Å; Q1104-Q1180 HydrophobicContact CB-CG 3.96Å; Q1104-Q1180 HydrophobicContact CG-CG 3.74Å; Q1104-Q1180 VanDerWaalsContact NE2-NE2 3.18Å; Q1104-Q1180 VanDerWaalsContact OE1-NE2 3.1Å; Q1104-T1181 PolarHBondContact O-N 2.99Å; Q1104-T1181 VanDerWaalsContact O-O 3.13Å
1105	T	43	Very low	47.2	Very low	34.8 Å²	34.8	49.5 Å²	49.5	21%	0.213	27%	0.271	C	S	.	.			trans	-135.6	139.9	-179.1	-52.2	0	0	0	0	110.9	Q1028 T1029 I1030 Q1064 V1103 P1107 R1139 Q1140 S1141 Q1180 T1181 I1182 P1183	Q1028-T1105 PolarHBondContact O-N 3.46Å; T1029-T1105 WeakPolarHBondContact CA-O 3.4Å; T1029-T1105 HydrophobicContact CG2-CG2 4.37Å; I1030-T1105 HydrophobicContact CB-CG2 3.87Å; Q1064-T1105 WeakPolarHBondContact CA-OG1 3.41Å; Q1064-T1105 PolarHBondContact N-OG1 3.04Å; Q1064-T1105 PolarHBondContact O-OG1 3.36Å; V1103-T1105 WeakPolarHBondContact CG1-OG1 3.39Å; T1105-P1107 VanDerWaalsContact O-CD 3.25Å; T1105-P1107 WeakPolarHBondContact O-CD 3.34Å; T1105-R1139 VanDerWaalsContact O-CD 3.23Å; T1105-R1139 WeakPolarHBondContact O-CD 3.25Å; T1105-R1139 PolarHBondContact O-NH1 3.18Å; T1105-Q1140 VanDerWaalsContact CA-O 3.24Å; T1105-Q1140 WeakPolarHBondContact CA-O 3.42Å; T1105-Q1140 PolarHBondContact N-O 2.96Å; T1105-Q1140 PolarHBondContact OG1-O 3.16Å; T1105-S1141 WeakPolarHBondContact CA-OG 3.07Å; T1105-Q1180 PolarHBondContact N-O 3.44Å; T1105-Q1180 VanDerWaalsContact N-O 3.09Å; T1105-Q1180 PolarHBondContact OG1-OE1 2.87Å; T1105-T1181 WeakPolarHBondContact CA-O 2.97Å; T1105-T1181 WeakPolarHBondContact O-CA 3.44Å; T1105-I1182 HydrophobicContact CG2-CD1 3.83Å; T1105-I1182 HydrophobicContact CG2-CG1 3.8Å; T1105-I1182 PolarHBondContact O-N 3.41Å; T1105-P1183 HydrophobicContact CG2-CB 4.05Å; T1105-P1183 HydrophobicContact CG2-CG 3.9Å
1106	I	41.4	Very low	46.4	Very low	46.6 Å²	46.6	51.7 Å²	51.7	24%	0.239	28%	0.281	C	S	.	.			trans	-126.3	128.5	153.4	-60.7	173.7	0	0	0	107.7	T1029 I1030 L1031 E1032 Q1093 Q1104 E1108 S1141 V1167 I1182 P1183	T1029-I1106 PolarHBondContact O-N 2.9Å; I1030-I1106 HydrophobicContact CB-CG1 4.41Å; I1030-I1106 HydrophobicContact CG2-CD1 4.24Å; I1030-I1106 HydrophobicContact CG2-CG1 3.88Å; L1031-I1106 WeakPolarHBondContact CA-O 3.17Å; L1031-I1106 PolarHBondContact N-O 2.99Å; L1031-I1106 WeakPolarHBondContact O-CG2 3.32Å; E1032-I1106 HydrophobicContact CB-CG2 4.14Å; Q1093-I1106 HydrophobicContact CG-CD1 4.08Å; Q1104-I1106 HydrophobicContact CG-CD1 4.36Å; Q1104-I1106 HydrophobicContact CG-CG1 3.79Å; I1106-E1108 PolarHBondContact O-N 3.09Å; I1106-S1141 PolarHBondContact N-OG 2.87Å; I1106-S1141 PolarHBondContact O-OG 2.85Å; I1106-V1167 HydrophobicContact CD1-CG1 4.26Å; I1106-I1182 HydrophobicContact CB-CD1 4.39Å; I1106-I1182 HydrophobicContact CB-CG2 3.98Å; I1106-I1182 HydrophobicContact CD1-CD1 4.41Å; I1106-I1182 HydrophobicContact CG1-CD1 4.48Å; I1106-I1182 HydrophobicContact CG1-CG2 4.19Å; I1106-P1183 HydrophobicContact CG1-CG 4.32Å; I1106-P1183 HydrophobicContact CG2-CG 4.44Å; I1106-P1183 WeakPolarHBondContact O-CD 3.21Å; I1106-P1183 WeakPolarHBondContact O-CG 3.41Å
1107	P	39.8	Very low	45.6	Very low	44.4 Å²	44.4	53.8 Å²	53.8	29%	0.288	29%	0.291	S	S	.	.			trans	-84.8	148.9	166.7	34	-30.4	0	0	0	111	T1029 L1031 E1032 T1105 E1109 S1141 E1143 I1182 P1183 E1184	T1029-P1107 HydrophobicContact CG2-CB 4.05Å; T1029-P1107 HydrophobicContact CG2-CG 4.3Å; L1031-P1107 WeakPolarHBondContact O-CA 3.37Å; L1031-P1107 VanDerWaalsContact O-CG 3.31Å; L1031-P1107 WeakPolarHBondContact O-CG 3.36Å; E1032-P1107 HydrophobicContact CB-CB 4.04Å; E1032-P1107 HydrophobicContact CB-CG 4.41Å; T1105-P1107 VanDerWaalsContact O-CD 3.25Å; T1105-P1107 WeakPolarHBondContact O-CD 3.34Å; P1107-E1109 HydrophobicContact CB-CB 4.29Å; P1107-E1109 PolarHBondContact O-N 3Å; P1107-S1141 VanDerWaalsContact C-CB 3.48Å; P1107-S1141 WeakPolarHBondContact O-CB 3.37Å; P1107-S1141 PolarHBondContact O-OG 3.38Å; P1107-E1143 HydrophobicContact CB-CB 4.07Å; P1107-E1143 HydrophobicContact CB-CG 4.36Å; P1107-I1182 WeakPolarHBondContact CD-O 3.46Å; P1107-I1182 HydrophobicContact CG-CG2 4.27Å; P1107-P1183 HydrophobicContact CG-CB 4.02Å; P1107-P1183 WeakPolarHBondContact O-CD 3.04Å; P1107-E1184 PolarHBondContact O-N 3.09Å
1108	E	36.4	Very low	44.9	Very low	70.6 Å²	70.6	54.1 Å²	54.1	33%	0.33	29%	0.293	S	S	.	.			trans	-118.4	113.3	175.2	-176.3	179.6	-176.1	0	0	109.1	L1031 E1033 R1034 I1106 Q1110 P1111 V1112 F1113 Q1140 S1141 V1142 E1143 P1183 Q1186	L1031-E1108 PolarHBondContact O-N 3.13Å; E1033-E1108 PolarHBondContact N-O 2.96Å; R1034-E1108 IonicContact CZ-OE1 2.81Å; R1034-E1108 IonicContact NE-OE1 3.34Å; R1034-E1108 PolarHBondContact NE-OE1 2.87Å; R1034-E1108 VanDerWaalsContact NH2-CD 3.27Å; R1034-E1108 IonicContact NH2-OE1 2.82Å; R1034-E1108 PolarHBondContact NH2-OE1 3.06Å; R1034-E1108 IonicContact NH2-OE2 2.73Å; R1034-E1108 PolarHBondContact NH2-OE2 2.91Å; I1106-E1108 PolarHBondContact O-N 3.09Å; E1108-Q1110 VanDerWaalsContact CD-CG 3.44Å; E1108-Q1110 HydrophobicContact CG-CG 4.11Å; E1108-Q1110 PolarHBondContact O-N 2.88Å; E1108-Q1110 WeakPolarHBondContact OE1-CG 3.38Å; E1108-Q1110 PolarHBondContact OE1-NE2 3.16Å; E1108-Q1110 PolarHBondContact OE2-NE2 3.18Å; E1108-P1111 HydrophobicContact CG-CB 3.8Å; E1108-V1112 WeakPolarHBondContact OE1-CA 3.27Å; E1108-V1112 PolarHBondContact OE1-N 3.39Å; E1108-F1113 VanDerWaalsContact OE1-CA 3.29Å; E1108-F1113 WeakPolarHBondContact OE1-CA 3.2Å; E1108-F1113 WeakPolarHBondContact OE1-CB 3.22Å; E1108-F1113 PolarHBondContact OE1-N 2.83Å; E1108-Q1140 WeakPolarHBondContact OE2-CB 3.44Å; E1108-S1141 VanDerWaalsContact CB-C 3.48Å; E1108-S1141 VanDerWaalsContact CD-O 3.3Å; E1108-S1141 PolarHBondContact OE2-N 3.23Å; E1108-S1141 VanDerWaalsContact OE2-O 3.1Å; E1108-V1142 CarbonylContact O-C 3.41Å; E1108-E1143 CarbonylContact C-O 3.33Å; E1108-E1143 VanDerWaalsContact N-CB 3.34Å; E1108-E1143 CarbonylContact O-C 3.46Å; E1108-E1143 PolarHBondContact O-N 3.48Å; E1108-P1183 HydrophobicContact CB-CB 4.24Å; E1108-P1183 HydrophobicContact CB-CG 3.81Å; E1108-P1183 HydrophobicContact CG-CB 3.87Å; E1108-P1183 HydrophobicContact CG-CG 3.94Å; E1108-P1183 WeakPolarHBondContact OE2-CG 3.3Å; E1108-Q1186 VanDerWaalsContact OE1-CD 3.29Å; E1108-Q1186 PolarHBondContact OE1-NE2 3.12Å
1109	E	36.2	Very low	44.2	Very low	101.8 Å²	101.8	52.2 Å²	52.2	48%	0.476	29%	0.292	S	S	.	.			trans	-90.8	108.3	-175	-142.2	173.9	178.9	0	0	112	E1033 R1034 N1068 P1107 P1111 E1143 N1144 E1184 Q1186	E1033-E1109 WeakPolarHBondContact O-CA 3.37Å; R1034-E1109 IonicContact CZ-OE1 3.75Å; R1034-E1109 IonicContact CZ-OE2 3.19Å; R1034-E1109 VanDerWaalsContact CZ-OE2 3.29Å; R1034-E1109 IonicContact NH1-OE1 3.95Å; R1034-E1109 PolarHBondContact NH1-OE1 2.84Å; R1034-E1109 IonicContact NH1-OE2 2.72Å; R1034-E1109 PolarHBondContact NH1-OE2 2.84Å; R1034-E1109 IonicContact NH2-OE2 2.81Å; R1034-E1109 PolarHBondContact NH2-OE2 3.33Å; N1068-E1109 PolarHBondContact ND2-OE1 2.78Å; P1107-E1109 HydrophobicContact CB-CB 4.29Å; P1107-E1109 PolarHBondContact O-N 3Å; E1109-P1111 VanDerWaalsContact O-CD 3.22Å; E1109-P1111 WeakPolarHBondContact O-CD 3.41Å; E1109-P1111 WeakPolarHBondContact O-CG 3.19Å; E1109-P1111 WeakPolarHBondContact OE1-CG 3.39Å; E1109-E1143 CarbonylContact C-O 3.31Å; E1109-E1143 VanDerWaalsContact CA-O 3.29Å; E1109-E1143 WeakPolarHBondContact CA-O 3.29Å; E1109-N1144 VanDerWaalsContact OE1-CA 3.31Å; E1109-N1144 WeakPolarHBondContact OE1-CA 3.27Å; E1109-N1144 PolarHBondContact OE1-ND2 3Å; E1109-E1184 PolarHBondContact N-O 3.11Å; E1109-Q1186 PolarHBondContact O-N 3.49Å
1110	Q	38.6	Very low	43.8	Very low	83.8 Å²	83.8	53.1 Å²	53.1	39%	0.392	30%	0.295	S	S	.	.			trans	-90.7	112.9	-178.7	-82.4	-156.1	-8.2	0	0	114.2	E1033 R1034 N1068 E1108 V1112 E1143 N1144 E1185 Q1186 P1187	E1033-Q1110 PolarHBondContact O-N 3.12Å; R1034-Q1110 HydrophobicContact CG-CB 4.11Å; N1068-Q1110 PolarHBondContact ND2-OE1 2.86Å; E1108-Q1110 VanDerWaalsContact CD-CG 3.44Å; E1108-Q1110 HydrophobicContact CG-CG 4.11Å; E1108-Q1110 PolarHBondContact O-N 2.88Å; E1108-Q1110 WeakPolarHBondContact OE1-CG 3.38Å; E1108-Q1110 PolarHBondContact OE1-NE2 3.16Å; E1108-Q1110 PolarHBondContact OE2-NE2 3.18Å; Q1110-V1112 VanDerWaalsContact O-CG2 3.31Å; Q1110-V1112 WeakPolarHBondContact O-CG2 3.22Å; Q1110-V1112 PolarHBondContact O-N 3.32Å; Q1110-E1143 PolarHBondContact N-O 2.83Å; Q1110-E1143 VanDerWaalsContact N-O 3.15Å; Q1110-N1144 HydrophobicContact CB-CB 3.78Å; Q1110-N1144 HydrophobicContact CG-CB 4.36Å; Q1110-N1144 PolarHBondContact NE2-OD1 2.69Å; Q1110-E1185 WeakPolarHBondContact CG-O 3.49Å; Q1110-E1185 PolarHBondContact NE2-O 3.23Å; Q1110-Q1186 HydrophobicContact CG-CB 4.29Å; Q1110-P1187 VanDerWaalsContact OE1-CG 3.29Å
1111	P	41.8	Very low	43.5	Very low	43.4 Å²	43.4	55.3 Å²	55.3	28%	0.282	30%	0.301	S	S	.	.			trans	-66.1	116.6	158.8	18.4	-24	0	0	0	114.5	P1035 F1037 E1108 E1109 F1113 Q1186 P1187 V1188 T1221	P1035-P1111 HydrophobicContact CB-CB 4.41Å; P1035-P1111 HydrophobicContact CG-CB 4.36Å; P1035-P1111 CarbonylContact O-C 3.5Å; P1035-P1111 WeakPolarHBondContact O-CA 3.47Å; F1037-P1111 HydrophobicContact CE2-CB 4.41Å; E1108-P1111 HydrophobicContact CG-CB 3.8Å; E1109-P1111 VanDerWaalsContact O-CD 3.22Å; E1109-P1111 WeakPolarHBondContact O-CD 3.41Å; E1109-P1111 WeakPolarHBondContact O-CG 3.19Å; E1109-P1111 WeakPolarHBondContact OE1-CG 3.39Å; P1111-F1113 HydrophobicContact CB-CE1 4.41Å; P1111-F1113 HydrophobicContact CB-CE2 4.03Å; P1111-F1113 HydrophobicContact CB-CZ 4.14Å; P1111-F1113 HydrophobicContact CG-CE2 4.19Å; P1111-F1113 HydrophobicContact CG-CZ 3.91Å; P1111-F1113 WeakPolarHBondContact O-CD2 2.91Å; P1111-F1113 VanDerWaalsContact O-CE2 3.29Å; P1111-F1113 WeakPolarHBondContact O-CE2 3.15Å; P1111-F1113 PolarHBondContact O-N 2.95Å; P1111-Q1186 HydrophobicContact CB-CB 4.33Å; P1111-Q1186 WeakPolarHBondContact CD-O 3.39Å; P1111-Q1186 HydrophobicContact CG-CB 4.32Å; P1111-P1187 HydrophobicContact CG-CB 3.8Å; P1111-P1187 WeakPolarHBondContact O-CA 3.49Å; P1111-V1188 WeakPolarHBondContact O-CG1 3.4Å; P1111-V1188 PolarHBondContact O-N 2.81Å; P1111-T1221 CarbonylContact C-O 3.51Å; P1111-T1221 CarbonylContact O-C 2.92Å
1112	V	37.8	Very low	43.4	Very low	45.6 Å²	45.6	53.8 Å²	53.8	28%	0.276	29%	0.294	S	S	.	.			trans	-112.8	123.4	-176.3	-175.5	0	0	0	0	113	P1035 M1036 F1037 E1108 Q1110 H1114 V1142 N1144 Q1186 V1188 H1190 N1220 T1221	P1035-V1112 PolarHBondContact O-N 3.12Å; M1036-V1112 HydrophobicContact CG-CB 4.35Å; F1037-V1112 HydrophobicContact CD1-CG2 3.93Å; F1037-V1112 HydrophobicContact CE1-CB 4.31Å; F1037-V1112 HydrophobicContact CE1-CG1 4.18Å; F1037-V1112 HydrophobicContact CE1-CG2 3.26Å; F1037-V1112 HydrophobicContact CE2-CG1 4.43Å; F1037-V1112 HydrophobicContact CZ-CB 4.39Å; F1037-V1112 HydrophobicContact CZ-CG1 3.76Å; F1037-V1112 HydrophobicContact CZ-CG2 3.73Å; F1037-V1112 PolarHBondContact N-O 2.68Å; E1108-V1112 WeakPolarHBondContact OE1-CA 3.27Å; E1108-V1112 PolarHBondContact OE1-N 3.39Å; Q1110-V1112 VanDerWaalsContact O-CG2 3.31Å; Q1110-V1112 WeakPolarHBondContact O-CG2 3.22Å; Q1110-V1112 PolarHBondContact O-N 3.32Å; V1112-H1114 VanDerWaalsContact CG1-CE1 3.42Å; V1112-H1114 WeakPolarHBondContact CG1-CE1 3.34Å; V1112-H1114 PolarHBondContact O-CE1 2.73Å; V1112-H1114 VanDerWaalsContact O-CE1 3.26Å; V1112-H1114 PolarHBondContact O-N 2.98Å; V1112-H1114 PolarHBondContact O-ND1 3.23Å; V1112-V1142 HydrophobicContact CB-CG2 4.25Å; V1112-V1142 HydrophobicContact CG1-CG2 3.9Å; V1112-V1142 HydrophobicContact CG2-CG1 3.93Å; V1112-V1142 HydrophobicContact CG2-CG2 3.97Å; V1112-N1144 VanDerWaalsContact C-ND2 3.33Å; V1112-N1144 VanDerWaalsContact CA-CG 3.45Å; V1112-N1144 VanDerWaalsContact CA-ND2 3.27Å; V1112-N1144 WeakPolarHBondContact CA-ND2 3.19Å; V1112-N1144 PolarHBondContact N-ND2 3.38Å; V1112-N1144 VanDerWaalsContact O-CA 3.28Å; V1112-N1144 WeakPolarHBondContact O-CA 3.46Å; V1112-N1144 WeakPolarHBondContact O-CB 3.46Å; V1112-N1144 PolarHBondContact O-N 3.03Å; V1112-Q1186 PolarHBondContact O-OE1 3.47Å; V1112-Q1186 VanDerWaalsContact O-OE1 3.12Å; V1112-V1188 HydrophobicContact CB-CG1 3.96Å; V1112-V1188 HydrophobicContact CG1-CB 4.38Å; V1112-V1188 HydrophobicContact CG1-CG1 4.47Å; V1112-V1188 HydrophobicContact CG2-CB 4.44Å; V1112-H1190 WeakPolarHBondContact CG1-ND1 3.28Å; V1112-N1220 HydrophobicContact CB-CB 3.99Å; V1112-N1220 HydrophobicContact CG2-CB 3.77Å; V1112-N1220 CarbonylContact O-C 3.57Å; V1112-T1221 PolarHBondContact N-O 3.18Å; V1112-T1221 VanDerWaalsContact N-O 3.1Å; V1112-T1221 PolarHBondContact O-N 3.43Å
1113	F	40.8	Very low	43.3	Very low	53.6 Å²	53.6	55.9 Å²	55.9	24%	0.235	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	124.5	-172.4	-72	-84.2	0	0	0	116.7	F1037 H1038 Q1064 V1066 E1108 P1111 T1115 M1138 Q1140 V1142 N1144 V1179 E1184 V1188 F1189 H1190 E1219 N1220	F1037-F1113 HydrophobicContact CB-CD1 4.02Å; F1037-F1113 HydrophobicContact CB-CE1 4.28Å; F1037-F1113 AromaticContact CD1-CD1 3.93Å; F1037-F1113 HydrophobicContact CD1-CD1 3.93Å; F1037-F1113 AromaticContact CD1-CD2 3.52Å; F1037-F1113 HydrophobicContact CD1-CD2 3.52Å; F1037-F1113 AromaticContact CD1-CE1 3.85Å; F1037-F1113 HydrophobicContact CD1-CE1 3.85Å; F1037-F1113 AromaticContact CD1-CE2 3.45Å; F1037-F1113 HydrophobicContact CD1-CE2 3.45Å; F1037-F1113 VanDerWaalsContact CD1-CE2 3.45Å; F1037-F1113 AromaticContact CD1-CG 3.76Å; F1037-F1113 HydrophobicContact CD1-CG 3.76Å; F1037-F1113 AromaticContact CD1-CZ 3.62Å; F1037-F1113 HydrophobicContact CD1-CZ 3.62Å; F1037-F1113 AromaticContact CD2-CD1 3.74Å; F1037-F1113 HydrophobicContact CD2-CD1 3.91Å; F1037-F1113 AromaticContact CD2-CE1 3.61Å; F1037-F1113 HydrophobicContact CD2-CE1 3.61Å; F1037-F1113 AromaticContact CD2-CZ 3.76Å; F1037-F1113 HydrophobicContact CD2-CZ 3.76Å; F1037-F1113 AromaticContact CE1-CD2 3.6Å; F1037-F1113 HydrophobicContact CE1-CD2 3.6Å; F1037-F1113 AromaticContact CE1-CE2 3.5Å; F1037-F1113 HydrophobicContact CE1-CE2 3.5Å; F1037-F1113 VanDerWaalsContact CE1-CE2 3.5Å; F1037-F1113 HydrophobicContact CE1-CG 4.28Å; F1037-F1113 HydrophobicContact CE1-CZ 4.09Å; F1037-F1113 AromaticContact CE2-CE1 3.8Å; F1037-F1113 HydrophobicContact CE2-CE1 4.07Å; F1037-F1113 AromaticContact CE2-CZ 3.96Å; F1037-F1113 HydrophobicContact CE2-CZ 3.96Å; F1037-F1113 AromaticContact CG-CD1 3.96Å; F1037-F1113 HydrophobicContact CG-CD1 4.21Å; F1037-F1113 AromaticContact CG-CE1 3.77Å; F1037-F1113 HydrophobicContact CG-CE1 3.77Å; H1038-F1113 PolarHBondContact N-O 3.5Å; Q1064-F1113 VanDerWaalsContact NE2-CD1 3.35Å; Q1064-F1113 VanDerWaalsContact NE2-CE1 3.32Å; V1066-F1113 HydrophobicContact CB-CZ 4.34Å; V1066-F1113 HydrophobicContact CG2-CE1 3.76Å; V1066-F1113 HydrophobicContact CG2-CZ 4.14Å; E1108-F1113 VanDerWaalsContact OE1-CA 3.29Å; E1108-F1113 WeakPolarHBondContact OE1-CA 3.2Å; E1108-F1113 WeakPolarHBondContact OE1-CB 3.22Å; E1108-F1113 PolarHBondContact OE1-N 2.83Å; P1111-F1113 HydrophobicContact CB-CE1 4.41Å; P1111-F1113 HydrophobicContact CB-CE2 4.03Å; P1111-F1113 HydrophobicContact CB-CZ 4.14Å; P1111-F1113 HydrophobicContact CG-CE2 4.19Å; P1111-F1113 HydrophobicContact CG-CZ 3.91Å; P1111-F1113 WeakPolarHBondContact O-CD2 2.91Å; P1111-F1113 VanDerWaalsContact O-CE2 3.29Å; P1111-F1113 WeakPolarHBondContact O-CE2 3.15Å; P1111-F1113 PolarHBondContact O-N 2.95Å; F1113-T1115 VanDerWaalsContact CE1-OG1 3.29Å; F1113-T1115 WeakPolarHBondContact CE1-OG1 3.41Å; F1113-M1138 HydrophobicContact CD1-CE 4.42Å; F1113-M1138 HydrophobicContact CE1-CE 4.15Å; F1113-Q1140 HydrophobicContact CB-CB 4Å; F1113-Q1140 HydrophobicContact CB-CG 4.15Å; F1113-Q1140 HydrophobicContact CD1-CB 4.32Å; F1113-Q1140 HydrophobicContact CD1-CG 4.18Å; F1113-Q1140 HydrophobicContact CD2-CB 4.44Å; F1113-Q1140 VanDerWaalsContact CD2-CD 3.4Å; F1113-Q1140 HydrophobicContact CD2-CG 3.68Å; F1113-Q1140 VanDerWaalsContact CE2-CD 3.47Å; F1113-Q1140 HydrophobicContact CE2-CG 4.21Å; F1113-Q1140 HydrophobicContact CG-CB 3.97Å; F1113-Q1140 VanDerWaalsContact CG-CD 3.47Å; F1113-Q1140 HydrophobicContact CG-CG 3.69Å; F1113-V1142 HydrophobicContact CE2-CG2 4.17Å; F1113-V1142 HydrophobicContact CZ-CG2 4.02Å; F1113-N1144 VanDerWaalsContact CA-OD1 3.23Å; F1113-N1144 WeakPolarHBondContact CA-OD1 3.39Å; F1113-N1144 PolarHBondContact N-OD1 3.39Å; F1113-N1144 PolarHBondContact O-N 3.34Å; F1113-N1144 PolarHBondContact O-OD1 3.27Å; F1113-V1179 HydrophobicContact CE1-CB 3.99Å; F1113-V1179 HydrophobicContact CE1-CG2 3.95Å; F1113-V1179 HydrophobicContact CE2-CG1 4.45Å; F1113-V1179 HydrophobicContact CZ-CB 3.76Å; F1113-V1179 HydrophobicContact CZ-CG1 3.8Å; F1113-V1179 HydrophobicContact CZ-CG2 3.86Å; F1113-E1184 HydrophobicContact CE2-CG 4.42Å; F1113-V1188 PolarHBondContact N-O 3.11Å; F1113-F1189 HydrophobicContact CB-CD1 4.08Å; F1113-F1189 HydrophobicContact CB-CE1 4.36Å; F1113-F1189 HydrophobicContact CD2-CB 4.15Å; F1113-F1189 AromaticContact CD2-CD1 3.58Å; F1113-F1189 HydrophobicContact CD2-CD1 3.58Å; F1113-F1189 AromaticContact CD2-CE1 3.41Å; F1113-F1189 HydrophobicContact CD2-CE1 3.41Å; F1113-F1189 HydrophobicContact CD2-CG 4.35Å; F1113-F1189 AromaticContact CD2-CZ 3.93Å; F1113-F1189 HydrophobicContact CD2-CZ 3.93Å; F1113-F1189 HydrophobicContact CE2-CB 3.33Å; F1113-F1189 AromaticContact CE2-CD1 3.9Å; F1113-F1189 HydrophobicContact CE2-CD1 4.21Å; F1113-F1189 AromaticContact CE2-CD2 3.92Å; F1113-F1189 HydrophobicContact CE2-CD2 3.92Å; F1113-F1189 AromaticContact CE2-CE1 3.74Å; F1113-F1189 HydrophobicContact CE2-CE1 3.74Å; F1113-F1189 AromaticContact CE2-CG 3.42Å; F1113-F1189 HydrophobicContact CE2-CG 3.42Å; F1113-F1189 VanDerWaalsContact CE2-CG 3.42Å; F1113-F1189 AromaticContact CE2-CZ 3.99Å; F1113-F1189 HydrophobicContact CE2-CZ 3.99Å; F1113-F1189 AromaticContact CG-CD1 3.85Å; F1113-F1189 HydrophobicContact CG-CD1 4.1Å; F1113-F1189 AromaticContact CG-CE1 3.88Å; F1113-F1189 HydrophobicContact CG-CE1 3.88Å; F1113-F1189 HydrophobicContact CZ-CB 3.67Å; F1113-F1189 AromaticContact CZ-CD1 3.51Å; F1113-F1189 HydrophobicContact CZ-CD1 3.51Å; F1113-F1189 HydrophobicContact CZ-CD2 4.34Å; F1113-F1189 HydrophobicContact CZ-CE1 4.37Å; F1113-F1189 AromaticContact CZ-CG 3.56Å; F1113-F1189 HydrophobicContact CZ-CG 3.56Å; F1113-H1190 PolarHBondContact O-N 3.01Å; F1113-H1190 VanDerWaalsContact O-O 3.1Å; F1113-E1219 CarbonylContact C-O 3.56Å; F1113-E1219 WeakPolarHBondContact CA-O 3.48Å; F1113-E1219 WeakPolarHBondContact CB-O 3.23Å; F1113-N1220 VanDerWaalsContact CA-CA 3.48Å; F1113-N1220 HydrophobicContact CB-CB 4.07Å; F1113-N1220 WeakPolarHBondContact CB-OD1 3.4Å; F1113-N1220 VanDerWaalsContact CD2-OD1 3.32Å; F1113-N1220 WeakPolarHBondContact CD2-OD1 3.14Å
1114	H	40.8	Very low	43	Very low	68.4 Å²	68.4	55.6 Å²	55.6	32%	0.317	30%	0.301	S	S	.	.			trans	-113.5	120	171.6	-69.4	81.4	0	0	0	113	F1037 H1038 T1039 V1066 V1112 S1141 V1142 E1143 Q1186 V1188 F1189 H1190 E1219	F1037-H1114 PolarHBondContact O-N 3.42Å; F1037-H1114 VanDerWaalsContact O-O 3.12Å; H1038-H1114 HydrophobicContact CB-CB 3.56Å; H1038-H1114 AromaticContact CD2-CG 3.95Å; H1038-H1114 AromaticContact CD2-ND1 3.62Å; H1038-H1114 AromaticContact CE1-ND1 3.78Å; H1038-H1114 AromaticContact NE2-CE1 3.9Å; H1038-H1114 AromaticContact NE2-CG 3.95Å; H1038-H1114 AromaticContact NE2-ND1 3.18Å; H1038-H1114 PolarHBondContact NE2-ND1 2.72Å; H1038-H1114 VanDerWaalsContact NE2-ND1 3.18Å; H1038-H1114 VanDerWaalsContact O-CB 3.3Å; H1038-H1114 WeakPolarHBondContact O-CB 3.33Å; T1039-H1114 PolarHBondContact N-O 2.98Å; T1039-H1114 VanDerWaalsContact N-O 3.1Å; V1066-H1114 WeakPolarHBondContact CB-CE1 3.33Å; V1066-H1114 WeakPolarHBondContact CB-ND1 3.42Å; V1066-H1114 HydrophobicContact CG1-CB 3.89Å; V1066-H1114 WeakPolarHBondContact CG1-ND1 3.41Å; V1066-H1114 PolarHBondContact O-CD2 3.29Å; V1112-H1114 VanDerWaalsContact CG1-CE1 3.42Å; V1112-H1114 WeakPolarHBondContact CG1-CE1 3.34Å; V1112-H1114 PolarHBondContact O-CE1 2.73Å; V1112-H1114 VanDerWaalsContact O-CE1 3.26Å; V1112-H1114 PolarHBondContact O-N 2.98Å; V1112-H1114 PolarHBondContact O-ND1 3.23Å; H1114-S1141 PolarHBondContact CE1-O 3.19Å; H1114-S1141 PolarHBondContact ND1-O 3.02Å; H1114-V1142 VanDerWaalsContact C-CG1 3.42Å; H1114-V1142 PolarHBondContact CE1-N 3.23Å; H1114-V1142 VanDerWaalsContact ND1-CA 3.34Å; H1114-V1142 WeakPolarHBondContact ND1-CA 3.22Å; H1114-V1142 WeakPolarHBondContact O-CB 3.41Å; H1114-V1142 WeakPolarHBondContact O-CG1 3.07Å; H1114-E1143 WeakPolarHBondContact CB-O 3.44Å; H1114-E1143 PolarHBondContact CD2-N 3.15Å; H1114-E1143 PolarHBondContact CD2-O 3.38Å; H1114-Q1186 PolarHBondContact ND1-OE1 3.28Å; H1114-V1188 HydrophobicContact CB-CG1 4.4Å; H1114-F1189 HydrophobicContact CB-CB 4.3Å; H1114-F1189 VanDerWaalsContact CB-O 3.22Å; H1114-F1189 WeakPolarHBondContact CB-O 2.99Å; H1114-F1189 CarbonylContact O-C 3.16Å; H1114-F1189 VanDerWaalsContact O-O 3.14Å; H1114-H1190 AromaticContact CD2-CG 3.81Å; H1114-H1190 AromaticContact CD2-ND1 3.63Å; H1114-H1190 AromaticContact NE2-CG 3.91Å; H1114-H1190 AromaticContact NE2-ND1 3.31Å; H1114-H1190 PolarHBondContact NE2-ND1 3.18Å; H1114-E1219 PolarHBondContact N-O 3.21Å
1115	T	44.5	Very low	42.8	Very low	49.8 Å²	49.8	60.6 Å²	60.6	31%	0.306	32%	0.322	S	S	.	.			trans	-130.8	121.5	169.4	-67.6	0	0	0	0	111.3	T1039 V1042 Q1064 V1066 F1113 N1117 V1118 M1138 V1179 H1190 T1191 V1192 V1255	T1039-T1115 WeakPolarHBondContact O-CA 3.38Å; V1042-T1115 WeakPolarHBondContact CG1-O 3.36Å; Q1064-T1115 PolarHBondContact NE2-O 3.31Å; V1066-T1115 VanDerWaalsContact CG1-O 3.28Å; V1066-T1115 WeakPolarHBondContact CG1-O 3.33Å; F1113-T1115 VanDerWaalsContact CE1-OG1 3.29Å; F1113-T1115 WeakPolarHBondContact CE1-OG1 3.41Å; T1115-N1117 PolarHBondContact O-N 3.32Å; T1115-V1118 HydrophobicContact CG2-CG2 3.88Å; T1115-M1138 HydrophobicContact CG2-CE 4.12Å; T1115-M1138 HydrophobicContact CG2-SD 4.27Å; T1115-V1179 HydrophobicContact CG2-CG2 4.41Å; T1115-H1190 PolarHBondContact N-O 3.35Å; T1115-T1191 WeakPolarHBondContact O-CA 3.42Å; T1115-V1192 PolarHBondContact O-N 2.95Å; T1115-V1255 HydrophobicContact CG2-CG2 4.48Å
1116	V	42.9	Very low	42.7	Very low	60.8 Å²	60.8	61.2 Å²	61.2	37%	0.368	33%	0.328	S	S	.	.			trans	-111.2	-171.9	-174.2	-160.2	0	0	0	0	112.9	T1039 A1040 V1042 S1043 Q1064 V1066 V1118 R1139 Q1140 S1141 V1192 N1193	T1039-V1116 PolarHBondContact O-N 2.87Å; T1039-V1116 VanDerWaalsContact O-N 3.13Å; A1040-V1116 HydrophobicContact CB-CG2 4.23Å; V1042-V1116 HydrophobicContact CG1-CG1 4.4Å; S1043-V1116 CarbonylContact O-C 3.6Å; S1043-V1116 WeakPolarHBondContact O-CA 3.25Å; Q1064-V1116 HydrophobicContact CB-CB 4.4Å; Q1064-V1116 HydrophobicContact CB-CG1 3.49Å; Q1064-V1116 VanDerWaalsContact CB-CG1 3.49Å; Q1064-V1116 HydrophobicContact CB-CG2 4.45Å; Q1064-V1116 HydrophobicContact CG-CB 3.85Å; Q1064-V1116 HydrophobicContact CG-CG1 3.47Å; Q1064-V1116 VanDerWaalsContact CG-CG1 3.47Å; Q1064-V1116 HydrophobicContact CG-CG2 3.75Å; Q1064-V1116 VanDerWaalsContact NE2-CA 3.26Å; Q1064-V1116 VanDerWaalsContact O-CG2 3.24Å; Q1064-V1116 WeakPolarHBondContact O-CG2 3.35Å; V1066-V1116 HydrophobicContact CG2-CG2 4.02Å; V1116-V1118 HydrophobicContact CG1-CG2 3.98Å; V1116-V1118 PolarHBondContact O-N 3.3Å; V1116-R1139 VanDerWaalsContact CG1-O 3.3Å; V1116-R1139 WeakPolarHBondContact CG1-O 3.41Å; V1116-Q1140 VanDerWaalsContact CB-CA 3.47Å; V1116-Q1140 HydrophobicContact CB-CB 3.56Å; V1116-Q1140 HydrophobicContact CB-CG 3.6Å; V1116-Q1140 HydrophobicContact CG1-CB 3.88Å; V1116-Q1140 HydrophobicContact CG1-CG 4.47Å; V1116-Q1140 HydrophobicContact CG2-CB 4.25Å; V1116-Q1140 HydrophobicContact CG2-CG 4.02Å; V1116-Q1140 PolarHBondContact O-OE1 3.25Å; V1116-Q1140 VanDerWaalsContact O-OE1 3.07Å; V1116-S1141 WeakPolarHBondContact CG2-O 3.23Å; V1116-V1192 HydrophobicContact CG1-CG2 4.32Å; V1116-V1192 VanDerWaalsContact O-CB 3.31Å; V1116-V1192 WeakPolarHBondContact O-CB 3.37Å; V1116-V1192 PolarHBondContact O-N 3.17Å; V1116-N1193 PolarHBondContact O-N 3.27Å
1117	N	42.8	Very low	42.6	Very low	77.4 Å²	77.4	62.8 Å²	62.8	41%	0.414	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	123.2	172.3	-62.8	-49.8	0	0	0	114.5	D1041 V1042 S1043 I1045 Q1064 T1115 G1119 M1138 N1193	D1041-N1117 WeakPolarHBondContact OD1-CB 3.39Å; D1041-N1117 PolarHBondContact OD1-N 3.11Å; D1041-N1117 PolarHBondContact OD1-ND2 3.19Å; D1041-N1117 PolarHBondContact OD2-ND2 3.03Å; V1042-N1117 PolarHBondContact N-O 2.71Å; V1042-N1117 VanDerWaalsContact N-O 3.13Å; S1043-N1117 WeakPolarHBondContact CB-OD1 3.41Å; S1043-N1117 PolarHBondContact O-N 2.94Å; S1043-N1117 PolarHBondContact OG-OD1 3.39Å; I1045-N1117 VanDerWaalsContact CB-O 3.28Å; I1045-N1117 WeakPolarHBondContact CB-O 2.85Å; I1045-N1117 HydrophobicContact CD1-CB 4.06Å; I1045-N1117 HydrophobicContact CG1-CB 4.16Å; I1045-N1117 WeakPolarHBondContact CG1-O 3.34Å; I1045-N1117 PolarHBondContact N-O 3.37Å; Q1064-N1117 PolarHBondContact OE1-O 3.49Å; T1115-N1117 PolarHBondContact O-N 3.32Å; N1117-G1119 PolarHBondContact O-N 3.16Å; N1117-G1119 VanDerWaalsContact O-N 3.14Å; N1117-M1138 VanDerWaalsContact CA-CE 3.46Å; N1117-M1138 HydrophobicContact CB-CE 3.97Å; N1117-N1193 WeakPolarHBondContact OD1-CB 3.4Å; N1117-N1193 PolarHBondContact OD1-ND2 2.86Å
1118	V	46.4	Very low	42.3	Very low	37.8 Å²	37.8	64.5 Å²	64.5	23%	0.229	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	117.4	170.4	-172.3	0	0	0	0	110.4	I1062 T1115 V1116 M1138 Q1177 V1192 N1193 V1194 G1195 Q1253	I1062-V1118 HydrophobicContact CB-CB 4.03Å; I1062-V1118 HydrophobicContact CB-CG1 3.66Å; I1062-V1118 HydrophobicContact CB-CG2 3.36Å; I1062-V1118 HydrophobicContact CD1-CB 4.33Å; I1062-V1118 HydrophobicContact CD1-CG1 3.65Å; I1062-V1118 HydrophobicContact CD1-CG2 4.03Å; I1062-V1118 HydrophobicContact CG1-CG1 4.09Å; I1062-V1118 HydrophobicContact CG1-CG2 4.45Å; I1062-V1118 HydrophobicContact CG2-CB 4.34Å; I1062-V1118 HydrophobicContact CG2-CG1 4.48Å; I1062-V1118 HydrophobicContact CG2-CG2 3.33Å; T1115-V1118 HydrophobicContact CG2-CG2 3.88Å; V1116-V1118 HydrophobicContact CG1-CG2 3.98Å; V1116-V1118 PolarHBondContact O-N 3.3Å; V1118-M1138 HydrophobicContact CB-CB 3.32Å; V1118-M1138 HydrophobicContact CB-CG 3.36Å; V1118-M1138 HydrophobicContact CB-SD 3.76Å; V1118-M1138 HydrophobicContact CG1-CB 3.61Å; V1118-M1138 HydrophobicContact CG1-CG 4.25Å; V1118-M1138 HydrophobicContact CG2-CB 3.65Å; V1118-M1138 HydrophobicContact CG2-CG 3.52Å; V1118-M1138 HydrophobicContact CG2-SD 4.32Å; V1118-M1138 PolarHBondContact N-SD 3.25Å; V1118-M1138 VanDerWaalsContact N-SD 3.37Å; V1118-Q1177 HydrophobicContact CG2-CG 3.93Å; V1118-Q1177 WeakPolarHBondContact O-CG 3.14Å; V1118-Q1177 PolarHBondContact O-NE2 3.12Å; V1118-V1192 HydrophobicContact CG1-CG1 4.05Å; V1118-V1192 HydrophobicContact CG1-CG2 4.14Å; V1118-N1193 PolarHBondContact N-O 3.15Å; V1118-V1194 HydrophobicContact CB-CG2 4.28Å; V1118-V1194 HydrophobicContact CG1-CG1 4.44Å; V1118-V1194 WeakPolarHBondContact O-CA 3.4Å; V1118-G1195 PolarHBondContact O-N 3.14Å; V1118-Q1253 HydrophobicContact CB-CB 4.13Å; V1118-Q1253 HydrophobicContact CG2-CB 4.3Å
1119	G	46.1	Very low	42.6	Very low	28.8 Å²	28.8	63.3 Å²	63.3	30%	0.297	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	159.5	-179.3	0	0	0	0	0	114.7	V1042 V1044 I1045 V1060 N1117 A1176 Q1253	V1042-G1119 PolarHBondContact O-N 3.23Å; V1044-G1119 PolarHBondContact N-O 3.12Å; I1045-G1119 WeakPolarHBondContact O-CA 3.43Å; V1060-G1119 WeakPolarHBondContact CG1-O 2.98Å; N1117-G1119 PolarHBondContact O-N 3.16Å; N1117-G1119 VanDerWaalsContact O-N 3.14Å; G1119-A1176 WeakPolarHBondContact CA-O 3.12Å; G1119-Q1253 WeakPolarHBondContact O-CG 3.21Å; G1119-Q1253 PolarHBondContact O-OE1 3.28Å
1120	L	51.7	Low	42.7	Very low	39.4 Å²	39.4	62.8 Å²	62.8	21%	0.206	35%	0.354	C	S	.	.			trans	-116.8	111	177.4	171.6	89.9	0	0	0	112.3	V1044 S1047 E1048 L1058 V1060 H1122 L1134 Q1135 A1136 A1176 L1196 D1197 A1252	V1044-L1120 HydrophobicContact CB-CD1 4.05Å; V1044-L1120 HydrophobicContact CG1-CD1 4.21Å; V1044-L1120 WeakPolarHBondContact O-CD1 3.38Å; S1047-L1120 WeakPolarHBondContact CB-O 3.24Å; S1047-L1120 PolarHBondContact N-O 2.94Å; E1048-L1120 HydrophobicContact CB-CD2 4.48Å; E1048-L1120 HydrophobicContact CB-CG 4.28Å; E1048-L1120 HydrophobicContact CG-CG 4.46Å; L1058-L1120 HydrophobicContact CD2-CD1 3.81Å; L1058-L1120 HydrophobicContact CD2-CD2 4.24Å; L1058-L1120 HydrophobicContact CD2-CG 3.75Å; L1058-L1120 HydrophobicContact CG-CD1 4.29Å; V1060-L1120 HydrophobicContact CB-CB 3.93Å; V1060-L1120 HydrophobicContact CB-CD1 3.78Å; V1060-L1120 HydrophobicContact CB-CG 4.13Å; V1060-L1120 HydrophobicContact CG2-CB 3.86Å; V1060-L1120 HydrophobicContact CG2-CD1 3.91Å; V1060-L1120 HydrophobicContact CG2-CG 3.64Å; L1120-H1122 HydrophobicContact CD1-CB 4.22Å; L1120-H1122 PolarHBondContact O-N 2.9Å; L1120-L1134 HydrophobicContact CD2-CB 4.03Å; L1120-L1134 HydrophobicContact CD2-CD1 3.91Å; L1120-L1134 HydrophobicContact CD2-CG 4.43Å; L1120-Q1135 VanDerWaalsContact CD1-O 3.24Å; L1120-Q1135 WeakPolarHBondContact CD1-O 3.42Å; L1120-A1136 HydrophobicContact CB-CB 3.24Å; L1120-A1136 HydrophobicContact CD1-CB 4.38Å; L1120-A1136 HydrophobicContact CG-CB 4.41Å; L1120-A1176 HydrophobicContact CB-CB 3.87Å; L1120-L1196 HydrophobicContact CB-CG 4.29Å; L1120-L1196 HydrophobicContact CD2-CD1 4.19Å; L1120-L1196 HydrophobicContact CD2-CG 4.26Å; L1120-D1197 PolarHBondContact O-N 3.1Å; L1120-A1252 HydrophobicContact CB-CB 3.51Å; L1120-A1252 HydrophobicContact CD1-CB 3.68Å; L1120-A1252 HydrophobicContact CG-CB 4.12Å
1121	D	46	Very low	43	Very low	83.4 Å²	83.4	61.1 Å²	61.1	45%	0.446	36%	0.359	S	S	.	.			trans	-96.1	116.2	166.6	-91	-15.2	0	0	0	111.5	V1044 I1045 H1046 S1047 K1049 L1058 K1125	V1044-D1121 PolarHBondContact O-N 2.95Å; I1045-D1121 HydrophobicContact CG1-CB 4.27Å; I1045-D1121 HydrophobicContact CG2-CB 4.41Å; H1046-D1121 PolarHBondContact N-O 3.09Å; H1046-D1121 VanDerWaalsContact N-O 3.14Å; S1047-D1121 WeakPolarHBondContact CB-OD2 2.9Å; S1047-D1121 PolarHBondContact OG-OD2 3.34Å; K1049-D1121 IonicContact NZ-OD1 3.82Å; K1049-D1121 PolarHBondContact NZ-OD1 2.73Å; K1049-D1121 IonicContact NZ-OD2 3.68Å; K1049-D1121 PolarHBondContact NZ-OD2 3.35Å; L1058-D1121 WeakPolarHBondContact CD2-O 3.47Å; D1121-K1125 PolarHBondContact O-NZ 2.89Å
1122	H	49.5	Very low	43.3	Very low	42.8 Å²	42.8	61.6 Å²	61.6	20%	0.198	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	115.5	172.5	171.8	-53.1	0	0	0	112.6	H1046 E1048 L1058 L1120 E1124 K1125 P1127 K1132 L1134 D1197 H1198 T1199	H1046-H1122 HydrophobicContact CB-CB 4.19Å; H1046-H1122 AromaticContact CE1-CD2 3.56Å; H1046-H1122 AromaticContact ND1-CD2 3.49Å; H1046-H1122 PolarHBondContact ND1-CD2 3.23Å; H1046-H1122 AromaticContact ND1-CG 3.7Å; H1046-H1122 AromaticContact ND1-NE2 3.39Å; H1046-H1122 PolarHBondContact ND1-NE2 2.95Å; H1046-H1122 WeakPolarHBondContact O-CA 3.34Å; E1048-H1122 HydrophobicContact CG-CB 4.32Å; E1048-H1122 IonicContact OE2-CE1 2.82Å; E1048-H1122 PolarHBondContact OE2-CE1 3.15Å; E1048-H1122 IonicContact OE2-ND1 2.86Å; E1048-H1122 PolarHBondContact OE2-ND1 3.27Å; L1058-H1122 HydrophobicContact CB-CB 4.07Å; L1058-H1122 HydrophobicContact CD1-CB 4.42Å; L1058-H1122 HydrophobicContact CD2-CB 3.52Å; L1058-H1122 HydrophobicContact CG-CB 4.17Å; L1120-H1122 HydrophobicContact CD1-CB 4.22Å; L1120-H1122 PolarHBondContact O-N 2.9Å; H1122-E1124 PolarHBondContact CD2-O 2.9Å; H1122-E1124 VanDerWaalsContact CD2-O 3.27Å; H1122-E1124 IonicContact CE1-OE2 3.26Å; H1122-E1124 PolarHBondContact CE1-OE2 2.91Å; H1122-E1124 IonicContact ND1-OE2 3.24Å; H1122-E1124 PolarHBondContact NE2-O 3.02Å; H1122-K1125 VanDerWaalsContact C-NZ 3.34Å; H1122-K1125 WeakPolarHBondContact O-CG 3.4Å; H1122-K1125 PolarHBondContact O-NZ 2.82Å; H1122-P1127 WeakPolarHBondContact NE2-CG 3.39Å; H1122-K1132 WeakPolarHBondContact NE2-CD 3.32Å; H1122-K1132 PolarHBondContact NE2-NZ 3.18Å; H1122-L1134 HydrophobicContact CB-CD1 3.78Å; H1122-L1134 HydrophobicContact CB-CD2 3.88Å; H1122-L1134 HydrophobicContact CB-CG 4.31Å; H1122-L1134 VanDerWaalsContact CG-CD2 3.45Å; H1122-D1197 PolarHBondContact N-O 3.23Å; H1122-D1197 VanDerWaalsContact N-O 3.09Å; H1122-H1198 AromaticContact CG-ND1 3.92Å; H1122-H1198 AromaticContact ND1-CE1 3.47Å; H1122-H1198 PolarHBondContact ND1-CE1 2.96Å; H1122-H1198 AromaticContact ND1-ND1 3.35Å; H1122-H1198 PolarHBondContact ND1-ND1 2.88Å; H1122-H1198 VanDerWaalsContact ND1-ND1 3.15Å; H1122-H1198 PolarHBondContact O-ND1 2.98Å; H1122-T1199 PolarHBondContact CE1-O 2.83Å; H1122-T1199 PolarHBondContact ND1-O 3.24Å; H1122-T1199 PolarHBondContact O-N 2.94Å
1123	T	44	Very low	43.8	Very low	63.8 Å²	63.8	63.6 Å²	63.6	39%	0.391	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	107.6	176.8	-57.3	0	0	0	0	112	H1046 E1048 K1125 D1197 H1198 T1199	H1046-T1123 PolarHBondContact O-N 3.19Å; H1046-T1123 VanDerWaalsContact O-N 3.14Å; E1048-T1123 PolarHBondContact N-O 3.42Å; T1123-K1125 VanDerWaalsContact CA-NZ 3.32Å; T1123-K1125 HydrophobicContact CG2-CD 4.17Å; T1123-K1125 HydrophobicContact CG2-CG 4.22Å; T1123-K1125 PolarHBondContact O-N 3.48Å; T1123-K1125 PolarHBondContact OG1-NZ 2.83Å; T1123-D1197 WeakPolarHBondContact CB-OD2 3.14Å; T1123-D1197 PolarHBondContact N-OD2 3.08Å; T1123-D1197 VanDerWaalsContact OG1-CG 3.32Å; T1123-D1197 PolarHBondContact OG1-OD2 2.73Å; T1123-H1198 CarbonylContact C-O 3.5Å; T1123-H1198 WeakPolarHBondContact CB-O 3.38Å; T1123-H1198 WeakPolarHBondContact CG2-O 3.49Å; T1123-T1199 WeakPolarHBondContact CA-O 3.46Å; T1123-T1199 HydrophobicContact CG2-CG2 4Å; T1123-T1199 VanDerWaalsContact CG2-OG1 3.27Å; T1123-T1199 WeakPolarHBondContact CG2-OG1 3.32Å
1124	E	47	Very low	44.3	Very low	45.6 Å²	45.6	63.3 Å²	63.3	21%	0.213	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	123	171.5	-162.9	176	173.1	0	0	111.5	K1056 H1122 S1126 P1127 S1128 L1129 K1132 H1198 T1199 E1200 K1201 K1208	K1056-E1124 IonicContact NZ-OE1 2.84Å; K1056-E1124 PolarHBondContact NZ-OE1 3.02Å; K1056-E1124 IonicContact NZ-OE2 3.57Å; K1056-E1124 PolarHBondContact NZ-OE2 2.85Å; H1122-E1124 PolarHBondContact CD2-O 2.9Å; H1122-E1124 VanDerWaalsContact CD2-O 3.27Å; H1122-E1124 IonicContact CE1-OE2 3.26Å; H1122-E1124 PolarHBondContact CE1-OE2 2.91Å; H1122-E1124 IonicContact ND1-OE2 3.24Å; H1122-E1124 PolarHBondContact NE2-O 3.02Å; E1124-S1126 CarbonylContact O-C 3.5Å; E1124-S1126 PolarHBondContact O-N 2.97Å; E1124-P1127 WeakPolarHBondContact O-CD 3.48Å; E1124-P1127 WeakPolarHBondContact OE1-CA 3.44Å; E1124-S1128 PolarHBondContact OE1-N 2.99Å; E1124-L1129 VanDerWaalsContact CD-CD1 3.42Å; E1124-L1129 HydrophobicContact CG-CD1 3.99Å; E1124-L1129 HydrophobicContact CG-CG 4.1Å; E1124-L1129 VanDerWaalsContact OE1-CB 3.23Å; E1124-L1129 WeakPolarHBondContact OE1-CB 3.4Å; E1124-L1129 WeakPolarHBondContact OE1-CD1 3.4Å; E1124-L1129 VanDerWaalsContact OE1-CG 3.29Å; E1124-L1129 WeakPolarHBondContact OE1-CG 3.49Å; E1124-L1129 PolarHBondContact OE1-N 2.76Å; E1124-L1129 WeakPolarHBondContact OE2-CD1 3.46Å; E1124-K1132 WeakPolarHBondContact OE1-CD 3.35Å; E1124-K1132 WeakPolarHBondContact OE1-CE 3.37Å; E1124-K1132 IonicContact OE1-NZ 2.69Å; E1124-K1132 PolarHBondContact OE1-NZ 2.88Å; E1124-K1132 IonicContact OE2-NZ 2.71Å; E1124-K1132 PolarHBondContact OE2-NZ 3.17Å; E1124-H1198 IonicContact OE2-CE1 3.3Å; E1124-T1199 PolarHBondContact N-O 3.11Å; E1124-E1200 HydrophobicContact CB-CG 4.33Å; E1124-E1200 WeakPolarHBondContact OE2-CA 3.38Å; E1124-E1200 WeakPolarHBondContact OE2-CG 3.47Å; E1124-K1201 PolarHBondContact OE2-N 3.2Å; E1124-K1208 IonicContact OE2-NZ 2.81Å; E1124-K1208 PolarHBondContact OE2-NZ 2.74Å
1125	K	41.4	Very low	44.8	Very low	149.8 Å²	149.8	63 Å²	63	65%	0.651	36%	0.361	S	S	*	.			trans	-111	37.3	-173.2	-67	174	177.7	155.7	0	113.3	E1048 D1121 H1122 T1123 S1202	E1048-K1125 PolarHBondContact O-N 2.74Å; D1121-K1125 PolarHBondContact O-NZ 2.89Å; H1122-K1125 VanDerWaalsContact C-NZ 3.34Å; H1122-K1125 WeakPolarHBondContact O-CG 3.4Å; H1122-K1125 PolarHBondContact O-NZ 2.82Å; T1123-K1125 VanDerWaalsContact CA-NZ 3.32Å; T1123-K1125 HydrophobicContact CG2-CD 4.17Å; T1123-K1125 HydrophobicContact CG2-CG 4.22Å; T1123-K1125 PolarHBondContact O-N 3.48Å; T1123-K1125 PolarHBondContact OG1-NZ 2.83Å; K1125-S1202 VanDerWaalsContact C-OG 3.28Å
1126	S	41.6	Very low	44.9	Very low	47 Å²	47	61.6 Å²	61.6	33%	0.329	35%	0.354	S	S	.	.	S	Bend	trans	-119.4	130.6	177.5	-63.6	0	0	0	0	110.7	E1048 S1050 E1124 S1128 S1202	E1048-S1126 PolarHBondContact O-OG 3.3Å; S1050-S1126 PolarHBondContact N-OG 2.94Å; S1050-S1126 PolarHBondContact O-OG 3.08Å; E1124-S1126 CarbonylContact O-C 3.5Å; E1124-S1126 PolarHBondContact O-N 2.97Å; S1126-S1128 WeakPolarHBondContact O-CB 3.41Å; S1126-S1128 PolarHBondContact O-N 2.73Å; S1126-S1128 PolarHBondContact O-OG 3.14Å; S1126-S1202 WeakPolarHBondContact O-CB 3.47Å
1127	P	37.7	Very low	45.3	Very low	81.2 Å²	81.2	60.5 Å²	60.5	53%	0.527	35%	0.348	S	S	.	.	S	Bend	trans	-80.2	140.9	-179.7	22.9	-23.6	0	0	0	112.2	L1053 H1122 E1124	L1053-P1127 HydrophobicContact CD1-CB 4.45Å; H1122-P1127 WeakPolarHBondContact NE2-CG 3.39Å; E1124-P1127 WeakPolarHBondContact O-CD 3.48Å; E1124-P1127 WeakPolarHBondContact OE1-CA 3.44Å
1128	S	35	Very low	45.6	Very low	80.6 Å²	80.6	58.9 Å²	58.9	56%	0.564	34%	0.338	S	S	*	.			trans	67.2	88.5	178.2	58.6	0	0	0	0	115.3	E1124 S1126 S1202 P1203	E1124-S1128 PolarHBondContact OE1-N 2.99Å; S1126-S1128 WeakPolarHBondContact O-CB 3.41Å; S1126-S1128 PolarHBondContact O-N 2.73Å; S1126-S1128 PolarHBondContact O-OG 3.14Å; S1128-S1202 WeakPolarHBondContact CA-O 3.3Å; S1128-S1202 PolarHBondContact N-O 3Å; S1128-P1203 PolarHBondContact N-O 3.42Å; S1128-P1203 WeakPolarHBondContact OG-CB 3.15Å; S1128-P1203 WeakPolarHBondContact OG-CG 3.39Å
1129	L	41.4	Very low	45.8	Very low	43.8 Å²	43.8	63.5 Å²	63.5	23%	0.229	35%	0.351	C	S	.	.			trans	-123.6	141.7	169.1	-79.1	173.1	0	0	0	111.9	L1053 K1056 E1124 K1132 E1200 P1203 S1204 L1205 V1206	L1053-L1129 WeakPolarHBondContact O-CD2 3.48Å; K1056-L1129 WeakPolarHBondContact CE-O 3.43Å; E1124-L1129 VanDerWaalsContact CD-CD1 3.42Å; E1124-L1129 HydrophobicContact CG-CD1 3.99Å; E1124-L1129 HydrophobicContact CG-CG 4.1Å; E1124-L1129 VanDerWaalsContact OE1-CB 3.23Å; E1124-L1129 WeakPolarHBondContact OE1-CB 3.4Å; E1124-L1129 WeakPolarHBondContact OE1-CD1 3.4Å; E1124-L1129 VanDerWaalsContact OE1-CG 3.29Å; E1124-L1129 WeakPolarHBondContact OE1-CG 3.49Å; E1124-L1129 PolarHBondContact OE1-N 2.76Å; E1124-L1129 WeakPolarHBondContact OE2-CD1 3.46Å; L1129-K1132 HydrophobicContact CD1-CD 3.96Å; L1129-E1200 WeakPolarHBondContact CD1-OE2 3.26Å; L1129-P1203 HydrophobicContact CD2-CB 3.74Å; L1129-P1203 HydrophobicContact CG-CB 4.09Å; L1129-S1204 PolarHBondContact N-O 2.93Å; L1129-L1205 HydrophobicContact CB-CD2 4.13Å; L1129-V1206 PolarHBondContact O-N 3.02Å
1130	V	38.9	Very low	45.8	Very low	91.6 Å²	91.6	64.2 Å²	64.2	56%	0.555	35%	0.347	S	S	*	.			trans	-123.8	134.6	-177.4	178.8	0	0	0	0	109.7	K1132 V1206	V1130-K1132 HydrophobicContact CG1-CG 4.19Å; V1130-K1132 PolarHBondContact O-N 2.83Å; V1130-V1206 WeakPolarHBondContact CA-O 3.21Å; V1130-V1206 HydrophobicContact CG2-CB 4.46Å
1131	G	45.5	Very low	45.5	Very low	48.8 Å²	48.8	64.3 Å²	64.3	50%	0.503	35%	0.351	S	S	.	.			trans	96.1	40.9	169.3	0	0	0	0	0	115.9	E1200 V1206 G1207 K1208	G1131-E1200 PolarHBondContact N-OE1 2.87Å; G1131-V1206 PolarHBondContact N-O 3.15Å; G1131-G1207 VanDerWaalsContact C-CA 3.48Å; G1131-G1207 CarbonylContact O-C 3.43Å; G1131-G1207 WeakPolarHBondContact O-CA 2.98Å; G1131-K1208 PolarHBondContact O-N 3.15Å
1132	K	47.2	Very low	45.4	Very low	54 Å²	54	61.9 Å²	61.9	24%	0.235	34%	0.339	C	S	.	.			trans	-83.3	137	171.4	-67.5	-173.9	173.6	172.4	0	111.9	E1048 L1053 K1056 H1122 E1124 L1129 V1130 H1198 E1200 K1208	E1048-K1132 IonicContact OE1-NZ 3.79Å; E1048-K1132 PolarHBondContact OE1-NZ 2.92Å; E1048-K1132 WeakPolarHBondContact OE2-CE 3.37Å; E1048-K1132 IonicContact OE2-NZ 3.6Å; E1048-K1132 PolarHBondContact OE2-NZ 2.95Å; L1053-K1132 WeakPolarHBondContact O-CE 3.36Å; K1056-K1132 HydrophobicContact CB-CD 4.23Å; K1056-K1132 HydrophobicContact CB-CG 4.43Å; K1056-K1132 VanDerWaalsContact O-CA 3.27Å; K1056-K1132 WeakPolarHBondContact O-CA 3.23Å; K1056-K1132 VanDerWaalsContact O-CB 3.24Å; K1056-K1132 WeakPolarHBondContact O-CB 3.35Å; K1056-K1132 VanDerWaalsContact O-CG 3.26Å; K1056-K1132 WeakPolarHBondContact O-CG 3.47Å; H1122-K1132 WeakPolarHBondContact NE2-CD 3.32Å; H1122-K1132 PolarHBondContact NE2-NZ 3.18Å; E1124-K1132 WeakPolarHBondContact OE1-CD 3.35Å; E1124-K1132 WeakPolarHBondContact OE1-CE 3.37Å; E1124-K1132 IonicContact OE1-NZ 2.69Å; E1124-K1132 PolarHBondContact OE1-NZ 2.88Å; E1124-K1132 IonicContact OE2-NZ 2.71Å; E1124-K1132 PolarHBondContact OE2-NZ 3.17Å; L1129-K1132 HydrophobicContact CD1-CD 3.96Å; V1130-K1132 HydrophobicContact CG1-CG 4.19Å; V1130-K1132 PolarHBondContact O-N 2.83Å; K1132-H1198 VanDerWaalsContact CB-NE2 3.3Å; K1132-H1198 WeakPolarHBondContact CB-NE2 3.41Å; K1132-H1198 WeakPolarHBondContact CD-NE2 2.88Å; K1132-H1198 WeakPolarHBondContact CE-NE2 3.41Å; K1132-H1198 PolarHBondContact NZ-CD2 2.99Å; K1132-H1198 VanDerWaalsContact NZ-CD2 3.28Å; K1132-H1198 PolarHBondContact NZ-NE2 3.22Å; K1132-H1198 PolarHBondContact O-NE2 3.18Å; K1132-H1198 VanDerWaalsContact O-NE2 3.13Å; K1132-E1200 WeakPolarHBondContact CE-OE2 3.47Å; K1132-E1200 PolarHBondContact N-OE1 3.25Å; K1132-E1200 IonicContact NZ-OE2 3.18Å; K1132-E1200 PolarHBondContact NZ-OE2 3.41Å; K1132-K1208 HydrophobicContact CB-CD 4.25Å; K1132-K1208 HydrophobicContact CB-CG 4.41Å; K1132-K1208 VanDerWaalsContact O-CA 3.25Å; K1132-K1208 WeakPolarHBondContact O-CA 3.45Å; K1132-K1208 WeakPolarHBondContact O-CB 3.4Å; K1132-K1208 WeakPolarHBondContact O-CG 3.46Å
1133	K	49.1	Very low	44.7	Very low	87.6 Å²	87.6	63.5 Å²	63.5	38%	0.381	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	127.1	161.6	-167.3	-166.4	176.9	-172.4	0	109.9	K1056 K1057 L1058 H1198 K1208 K1209 L1210 D1273 L1274	K1056-K1133 PolarHBondContact O-N 3.05Å; K1057-K1133 HydrophobicContact CG-CB 4.37Å; L1058-K1133 PolarHBondContact N-O 2.99Å; K1133-H1198 VanDerWaalsContact CA-CD2 3.47Å; K1133-H1198 WeakPolarHBondContact CA-CD2 3.26Å; K1133-K1208 PolarHBondContact N-O 3.19Å; K1133-K1209 HydrophobicContact CG-CB 4.22Å; K1133-K1209 WeakPolarHBondContact CG-O 3.42Å; K1133-L1210 WeakPolarHBondContact CD-O 3.27Å; K1133-L1210 PolarHBondContact NZ-O 3.29Å; K1133-L1210 WeakPolarHBondContact O-CB 3.38Å; K1133-L1210 PolarHBondContact O-N 2.99Å; K1133-D1273 WeakPolarHBondContact CE-OD1 3.26Å; K1133-D1273 VanDerWaalsContact NZ-CG 3.35Å; K1133-D1273 IonicContact NZ-OD1 3.62Å; K1133-D1273 PolarHBondContact NZ-OD1 3.22Å; K1133-D1273 IonicContact NZ-OD2 3.76Å; K1133-D1273 PolarHBondContact NZ-OD2 3.16Å; K1133-L1274 WeakPolarHBondContact CD-O 3.36Å
1134	L	51.4	Low	44.4	Very low	47.6 Å²	47.6	62.9 Å²	62.9	25%	0.249	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	146	171.2	-58.4	-177.6	0	0	0	109.1	L1058 L1120 H1122 H1174 L1196 D1197 H1198 K1209 L1210 Q1211	L1058-L1134 HydrophobicContact CB-CD2 3.65Å; L1058-L1134 HydrophobicContact CD2-CD2 4.04Å; L1058-L1134 HydrophobicContact CG-CD2 4.47Å; L1058-L1134 CarbonylContact O-C 3.42Å; L1120-L1134 HydrophobicContact CD2-CB 4.03Å; L1120-L1134 HydrophobicContact CD2-CD1 3.91Å; L1120-L1134 HydrophobicContact CD2-CG 4.43Å; H1122-L1134 HydrophobicContact CB-CD1 3.78Å; H1122-L1134 HydrophobicContact CB-CD2 3.88Å; H1122-L1134 HydrophobicContact CB-CG 4.31Å; H1122-L1134 VanDerWaalsContact CG-CD2 3.45Å; L1134-H1174 VanDerWaalsContact CB-CD2 3.44Å; L1134-H1174 WeakPolarHBondContact CB-CD2 3.37Å; L1134-H1174 WeakPolarHBondContact CB-NE2 3.23Å; L1134-H1174 WeakPolarHBondContact CD1-NE2 3.32Å; L1134-L1196 HydrophobicContact CB-CD1 4.16Å; L1134-L1196 HydrophobicContact CB-CD2 4.15Å; L1134-L1196 HydrophobicContact CD1-CD2 4.32Å; L1134-D1197 WeakPolarHBondContact CB-O 3.24Å; L1134-D1197 WeakPolarHBondContact CD1-O 3.32Å; L1134-H1198 HydrophobicContact CB-CB 3.84Å; L1134-H1198 HydrophobicContact CD1-CB 4.43Å; L1134-H1198 HydrophobicContact CG-CB 3.76Å; L1134-H1198 PolarHBondContact N-CD2 3.44Å; L1134-K1209 PolarHBondContact N-O 3.49Å; L1134-K1209 VanDerWaalsContact N-O 3.15Å; L1134-L1210 HydrophobicContact CB-CD2 3.76Å; L1134-L1210 HydrophobicContact CD1-CD2 3.79Å; L1134-L1210 HydrophobicContact CD2-CB 3.88Å; L1134-L1210 HydrophobicContact CD2-CD1 3.79Å; L1134-L1210 HydrophobicContact CD2-CD2 3.97Å; L1134-L1210 HydrophobicContact CD2-CG 4.09Å; L1134-L1210 HydrophobicContact CG-CD2 3.89Å; L1134-Q1211 PolarHBondContact O-N 2.97Å
1135	Q	49.9	Very low	43.7	Very low	62 Å²	62	63.4 Å²	63.4	29%	0.29	35%	0.348	S	S	.	.			trans	-153.2	112.2	177.6	-168.4	175.9	-2.1	0	0	112.1	K1057 L1058 Q1059 V1060 L1120 T1137 T1172 V1173 L1196 Q1211 T1248 H1250	K1057-Q1135 VanDerWaalsContact CE-OE1 3.29Å; K1057-Q1135 VanDerWaalsContact NZ-OE1 3.16Å; L1058-Q1135 PolarHBondContact O-N 2.95Å; Q1059-Q1135 CarbonylContact C-O 3.46Å; Q1059-Q1135 VanDerWaalsContact CA-O 3.26Å; Q1059-Q1135 WeakPolarHBondContact CA-O 3.4Å; Q1059-Q1135 HydrophobicContact CG-CB 4.45Å; V1060-Q1135 PolarHBondContact N-O 2.82Å; V1060-Q1135 VanDerWaalsContact O-O 3.1Å; L1120-Q1135 VanDerWaalsContact CD1-O 3.24Å; L1120-Q1135 WeakPolarHBondContact CD1-O 3.42Å; Q1135-T1137 WeakPolarHBondContact CG-OG1 3.45Å; Q1135-T1137 PolarHBondContact NE2-OG1 2.93Å; Q1135-T1172 HydrophobicContact CG-CG2 4.17Å; Q1135-T1172 PolarHBondContact NE2-OG1 2.73Å; Q1135-V1173 CarbonylContact C-O 3.31Å; Q1135-L1196 VanDerWaalsContact CA-CD1 3.41Å; Q1135-L1196 HydrophobicContact CB-CD1 4.43Å; Q1135-L1196 HydrophobicContact CG-CD1 4.32Å; Q1135-Q1211 WeakPolarHBondContact CA-O 3.43Å; Q1135-Q1211 HydrophobicContact CG-CB 4.45Å; Q1135-Q1211 HydrophobicContact CG-CG 4.49Å; Q1135-T1248 VanDerWaalsContact C-CG2 3.4Å; Q1135-T1248 HydrophobicContact CB-CG2 3.76Å; Q1135-T1248 HydrophobicContact CG-CG2 3.81Å; Q1135-T1248 WeakPolarHBondContact O-CG2 2.9Å; Q1135-H1250 WeakPolarHBondContact O-CA 3.28Å; Q1135-H1250 WeakPolarHBondContact O-CB 3.13Å; Q1135-H1250 PolarHBondContact O-N 2.8Å
1136	A	48.5	Very low	43.3	Very low	19.8 Å²	19.8	59.8 Å²	59.8	16%	0.164	34%	0.341	C	S	.	.			trans	-96.5	154.6	167.6	0	0	0	0	0	111	V1060 L1120 V1173 H1174 C1175 G1195 L1196 Q1211 T1213 T1248 V1249 H1250	V1060-A1136 CarbonylContact O-C 3.6Å; V1060-A1136 WeakPolarHBondContact O-CA 3.35Å; L1120-A1136 HydrophobicContact CB-CB 3.24Å; L1120-A1136 HydrophobicContact CD1-CB 4.38Å; L1120-A1136 HydrophobicContact CG-CB 4.41Å; A1136-V1173 VanDerWaalsContact C-CB 3.47Å; A1136-V1173 HydrophobicContact CB-CB 4.44Å; A1136-V1173 HydrophobicContact CB-CG1 4.09Å; A1136-V1173 PolarHBondContact N-O 2.88Å; A1136-V1173 CarbonylContact O-C 2.94Å; A1136-V1173 WeakPolarHBondContact O-CA 3.11Å; A1136-V1173 VanDerWaalsContact O-CB 3.27Å; A1136-V1173 WeakPolarHBondContact O-CB 3.17Å; A1136-V1173 PolarHBondContact O-N 2.81Å; A1136-H1174 VanDerWaalsContact CB-CA 3.43Å; A1136-C1175 HydrophobicContact CB-CB 4.02Å; A1136-C1175 VanDerWaalsContact CB-SG 3.51Å; A1136-G1195 WeakPolarHBondContact CB-O 3.33Å; A1136-L1196 HydrophobicContact CB-CB 3.9Å; A1136-L1196 HydrophobicContact CB-CD1 4.43Å; A1136-L1196 HydrophobicContact CB-CG 4.05Å; A1136-Q1211 PolarHBondContact N-O 2.89Å; A1136-T1213 PolarHBondContact O-N 3.04Å; A1136-T1248 VanDerWaalsContact C-CB 3.48Å; A1136-T1248 CarbonylContact C-O 3.51Å; A1136-T1248 WeakPolarHBondContact O-CB 3.15Å; A1136-T1248 WeakPolarHBondContact O-CG2 3.37Å; A1136-V1249 VanDerWaalsContact CA-C 3.5Å; A1136-V1249 VanDerWaalsContact CA-N 3.29Å; A1136-H1250 VanDerWaalsContact CA-N 3.35Å; A1136-H1250 VanDerWaalsContact CB-N 3.33Å
1137	T	50.7	Low	42.7	Very low	37.2 Å²	37.2	60.8 Å²	60.8	23%	0.228	35%	0.346	C	S	.	.			trans	-153.8	123.9	171.8	-63	0	0	0	0	109.5	V1060 T1061 I1062 Q1135 R1139 G1171 T1172 S1178 Q1180 T1213 T1248	V1060-T1137 PolarHBondContact O-N 3.08Å; V1060-T1137 VanDerWaalsContact O-N 3.15Å; T1061-T1137 VanDerWaalsContact CA-O 3.27Å; T1061-T1137 WeakPolarHBondContact CA-O 3.37Å; I1062-T1137 PolarHBondContact N-O 3.12Å; I1062-T1137 VanDerWaalsContact N-O 3.13Å; Q1135-T1137 WeakPolarHBondContact CG-OG1 3.45Å; Q1135-T1137 PolarHBondContact NE2-OG1 2.93Å; T1137-R1139 HydrophobicContact CG2-CG 4.35Å; T1137-G1171 PolarHBondContact OG1-O 3.29Å; T1137-T1172 WeakPolarHBondContact OG1-CA 3.33Å; T1137-T1172 PolarHBondContact OG1-N 2.82Å; T1137-T1172 VanDerWaalsContact OG1-N 3.17Å; T1137-S1178 WeakPolarHBondContact O-CB 3.42Å; T1137-S1178 PolarHBondContact O-OG 3.27Å; T1137-Q1180 VanDerWaalsContact CB-OE1 3.28Å; T1137-Q1180 VanDerWaalsContact CG2-CD 3.47Å; T1137-Q1180 HydrophobicContact CG2-CG 3.71Å; T1137-Q1180 VanDerWaalsContact CG2-OE1 3.26Å; T1137-T1213 CarbonylContact C-O 3.57Å; T1137-T1213 VanDerWaalsContact CA-O 3.24Å; T1137-T1213 WeakPolarHBondContact CA-O 3.45Å; T1137-T1248 CarbonylContact C-O 3.58Å; T1137-T1248 VanDerWaalsContact CA-O 3.32Å; T1137-T1248 WeakPolarHBondContact CA-O 3.08Å; T1137-T1248 VanDerWaalsContact CB-O 3.27Å; T1137-T1248 WeakPolarHBondContact CB-O 3.32Å; T1137-T1248 PolarHBondContact N-O 3.33Å
1138	M	49.7	Very low	42.2	Very low	43.6 Å²	43.6	63.8 Å²	63.8	22%	0.215	35%	0.353	C	S	.	.			trans	-104.1	142.8	173.2	-160.6	173.3	154.5	0	0	109.7	S1102 V1103 Q1104 F1113 T1115 N1117 V1118 S1178 V1179 Q1180 T1191 N1193 V1194 T1213 M1214 R1215	S1102-M1138 WeakPolarHBondContact CB-SD 3.1Å; V1103-M1138 HydrophobicContact CB-CE 4.42Å; V1103-M1138 HydrophobicContact CG1-CE 3.52Å; V1103-M1138 HydrophobicContact CG1-SD 4.28Å; Q1104-M1138 WeakPolarHBondContact CB-O 3.46Å; F1113-M1138 HydrophobicContact CD1-CE 4.42Å; F1113-M1138 HydrophobicContact CE1-CE 4.15Å; T1115-M1138 HydrophobicContact CG2-CE 4.12Å; T1115-M1138 HydrophobicContact CG2-SD 4.27Å; N1117-M1138 VanDerWaalsContact CA-CE 3.46Å; N1117-M1138 HydrophobicContact CB-CE 3.97Å; V1118-M1138 HydrophobicContact CB-CB 3.32Å; V1118-M1138 HydrophobicContact CB-CG 3.36Å; V1118-M1138 HydrophobicContact CB-SD 3.76Å; V1118-M1138 HydrophobicContact CG1-CB 3.61Å; V1118-M1138 HydrophobicContact CG1-CG 4.25Å; V1118-M1138 HydrophobicContact CG2-CB 3.65Å; V1118-M1138 HydrophobicContact CG2-CG 3.52Å; V1118-M1138 HydrophobicContact CG2-SD 4.32Å; V1118-M1138 PolarHBondContact N-SD 3.25Å; V1118-M1138 VanDerWaalsContact N-SD 3.37Å; M1138-S1178 VanDerWaalsContact SD-CA 3.58Å; M1138-V1179 HydrophobicContact CE-CB 4Å; M1138-V1179 HydrophobicContact CE-CG2 4.25Å; M1138-V1179 VanDerWaalsContact CE-O 3.22Å; M1138-V1179 WeakPolarHBondContact CE-O 3.45Å; M1138-V1179 WeakPolarHBondContact CG-O 3.24Å; M1138-V1179 PolarHBondContact SD-N 3.24Å; M1138-Q1180 VanDerWaalsContact CA-CG 3.47Å; M1138-T1191 HydrophobicContact CE-CG2 4.09Å; M1138-T1191 HydrophobicContact SD-CG2 4.17Å; M1138-N1193 CarbonylContact C-O 3.29Å; M1138-N1193 VanDerWaalsContact CB-C 3.49Å; M1138-N1193 WeakPolarHBondContact CB-O 3.21Å; M1138-N1193 HydrophobicContact CE-CB 3.55Å; M1138-N1193 WeakPolarHBondContact CE-ND2 3.43Å; M1138-N1193 WeakPolarHBondContact CE-OD1 3.17Å; M1138-N1193 HydrophobicContact CG-CB 3.82Å; M1138-N1193 WeakPolarHBondContact CG-O 3.06Å; M1138-N1193 HydrophobicContact SD-CB 3.98Å; M1138-V1194 HydrophobicContact CB-CB 3.57Å; M1138-V1194 HydrophobicContact CB-CG1 4.09Å; M1138-V1194 HydrophobicContact CB-CG2 4.07Å; M1138-V1194 HydrophobicContact CG-CB 4.49Å; M1138-V1194 WeakPolarHBondContact O-CG2 3.49Å; M1138-V1194 WeakPolarHBondContact SD-CA 2.92Å; M1138-V1194 HydrophobicContact SD-CG2 3.69Å; M1138-V1194 PolarHBondContact SD-N 3.44Å; M1138-T1213 PolarHBondContact N-O 2.64Å; M1138-M1214 HydrophobicContact CB-CG 4.42Å; M1138-M1214 HydrophobicContact SD-CG 4.43Å; M1138-R1215 PolarHBondContact O-N 3.47Å
1139	R	49.3	Very low	42	Very low	135 Å²	135	64.7 Å²	64.7	51%	0.509	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	128.9	169.2	-70.1	-160.8	153.4	-168.8	-2.4	108.4	Q1017 I1062 G1063 Q1064 S1094 Q1104 T1105 V1116 T1137 V1179 Q1180 T1181 I1182 V1192 R1215	Q1017-R1139 PolarHBondContact O-NH2 3.17Å; I1062-R1139 PolarHBondContact O-N 3.05Å; G1063-R1139 WeakPolarHBondContact CA-O 3.15Å; Q1064-R1139 PolarHBondContact N-O 2.93Å; S1094-R1139 PolarHBondContact O-NH2 3.06Å; Q1104-R1139 HydrophobicContact CB-CB 4.25Å; Q1104-R1139 HydrophobicContact CB-CG 3.85Å; T1105-R1139 VanDerWaalsContact O-CD 3.23Å; T1105-R1139 WeakPolarHBondContact O-CD 3.25Å; T1105-R1139 PolarHBondContact O-NH1 3.18Å; V1116-R1139 VanDerWaalsContact CG1-O 3.3Å; V1116-R1139 WeakPolarHBondContact CG1-O 3.41Å; T1137-R1139 HydrophobicContact CG2-CG 4.35Å; R1139-V1179 VanDerWaalsContact O-O 3.12Å; R1139-Q1180 CarbonylContact O-C 3.07Å; R1139-T1181 CarbonylContact C-O 3.04Å; R1139-T1181 WeakPolarHBondContact CB-O 3.09Å; R1139-T1181 PolarHBondContact O-N 2.83Å; R1139-T1181 VanDerWaalsContact O-N 3.08Å; R1139-I1182 HydrophobicContact CB-CG2 4.46Å; R1139-V1192 HydrophobicContact CB-CG1 4.14Å; R1139-V1192 HydrophobicContact CG-CG1 4.28Å; R1139-R1215 CarbonylContact C-O 3.52Å; R1139-R1215 WeakPolarHBondContact CA-O 3.24Å; R1139-R1215 HydrophobicContact CG-CB 4.41Å
1140	Q	47	Very low	41.5	Very low	43.4 Å²	43.4	67.7 Å²	67.7	20%	0.203	37%	0.371	C	S	.	.			trans	-123.9	146.3	173.7	-160.3	164.2	24.8	0	0	108.9	Q1064 V1103 Q1104 T1105 E1108 F1113 V1116 V1142 V1179 T1181 P1183 E1184 F1189 T1191 V1192 N1193 R1215 Q1216 S1217	Q1064-Q1140 HydrophobicContact CB-CG 4.42Å; Q1064-Q1140 VanDerWaalsContact O-CA 3.29Å; Q1064-Q1140 WeakPolarHBondContact O-CA 3.4Å; Q1064-Q1140 PolarHBondContact OE1-O 2.75Å; V1103-Q1140 HydrophobicContact CG1-CB 4.09Å; Q1104-Q1140 CarbonylContact C-O 2.97Å; T1105-Q1140 VanDerWaalsContact CA-O 3.24Å; T1105-Q1140 WeakPolarHBondContact CA-O 3.42Å; T1105-Q1140 PolarHBondContact N-O 2.96Å; T1105-Q1140 PolarHBondContact OG1-O 3.16Å; E1108-Q1140 WeakPolarHBondContact OE2-CB 3.44Å; F1113-Q1140 HydrophobicContact CB-CB 4Å; F1113-Q1140 HydrophobicContact CB-CG 4.15Å; F1113-Q1140 HydrophobicContact CD1-CB 4.32Å; F1113-Q1140 HydrophobicContact CD1-CG 4.18Å; F1113-Q1140 HydrophobicContact CD2-CB 4.44Å; F1113-Q1140 VanDerWaalsContact CD2-CD 3.4Å; F1113-Q1140 HydrophobicContact CD2-CG 3.68Å; F1113-Q1140 VanDerWaalsContact CE2-CD 3.47Å; F1113-Q1140 HydrophobicContact CE2-CG 4.21Å; F1113-Q1140 HydrophobicContact CG-CB 3.97Å; F1113-Q1140 VanDerWaalsContact CG-CD 3.47Å; F1113-Q1140 HydrophobicContact CG-CG 3.69Å; V1116-Q1140 VanDerWaalsContact CB-CA 3.47Å; V1116-Q1140 HydrophobicContact CB-CB 3.56Å; V1116-Q1140 HydrophobicContact CB-CG 3.6Å; V1116-Q1140 HydrophobicContact CG1-CB 3.88Å; V1116-Q1140 HydrophobicContact CG1-CG 4.47Å; V1116-Q1140 HydrophobicContact CG2-CB 4.25Å; V1116-Q1140 HydrophobicContact CG2-CG 4.02Å; V1116-Q1140 PolarHBondContact O-OE1 3.25Å; V1116-Q1140 VanDerWaalsContact O-OE1 3.07Å; Q1140-V1142 HydrophobicContact CG-CG1 3.84Å; Q1140-V1179 PolarHBondContact OE1-O 3.48Å; Q1140-T1181 WeakPolarHBondContact CG-OG1 3.2Å; Q1140-T1181 PolarHBondContact NE2-OG1 3.42Å; Q1140-P1183 HydrophobicContact CB-CG 4.28Å; Q1140-P1183 HydrophobicContact CG-CB 4.15Å; Q1140-P1183 HydrophobicContact CG-CG 3.71Å; Q1140-E1184 PolarHBondContact NE2-OE2 2.91Å; Q1140-F1189 VanDerWaalsContact CD-CD1 3.45Å; Q1140-F1189 HydrophobicContact CG-CD1 4.39Å; Q1140-F1189 HydrophobicContact CG-CE1 3.99Å; Q1140-T1191 CarbonylContact C-O 2.9Å; Q1140-T1191 HydrophobicContact CB-CG2 4.29Å; Q1140-T1191 VanDerWaalsContact CD-CG2 3.41Å; Q1140-T1191 HydrophobicContact CG-CG2 3.46Å; Q1140-T1191 VanDerWaalsContact CG-CG2 3.46Å; Q1140-V1192 VanDerWaalsContact C-CA 3.49Å; Q1140-V1192 WeakPolarHBondContact O-CA 2.95Å; Q1140-V1192 WeakPolarHBondContact O-CB 3.45Å; Q1140-V1192 WeakPolarHBondContact O-CG1 3.45Å; Q1140-V1192 WeakPolarHBondContact O-CG2 3.26Å; Q1140-N1193 HydrophobicContact CB-CB 3.58Å; Q1140-N1193 HydrophobicContact CG-CB 4.5Å; Q1140-N1193 PolarHBondContact OE1-ND2 3.28Å; Q1140-R1215 PolarHBondContact N-O 3.32Å; Q1140-Q1216 HydrophobicContact CB-CG 4.45Å; Q1140-Q1216 CarbonylContact O-C 3.58Å; Q1140-Q1216 VanDerWaalsContact O-CA 3.31Å; Q1140-Q1216 WeakPolarHBondContact O-CA 3.42Å; Q1140-S1217 PolarHBondContact O-N 3.02Å
1141	S	44	Very low	41.2	Very low	41.6 Å²	41.6	68.3 Å²	68.3	29%	0.291	38%	0.377	S	S	.	.			trans	-156.3	159.3	178.3	40.2	0	0	0	0	110.5	Q1064 S1065 V1066 T1105 I1106 P1107 E1108 H1114 V1116 T1191 S1217	Q1064-S1141 PolarHBondContact NE2-O 3.07Å; Q1064-S1141 PolarHBondContact O-N 3.02Å; Q1064-S1141 VanDerWaalsContact O-N 3.15Å; Q1064-S1141 PolarHBondContact O-OG 3.08Å; S1065-S1141 VanDerWaalsContact CA-O 3.28Å; S1065-S1141 WeakPolarHBondContact CA-O 3.34Å; S1065-S1141 PolarHBondContact OG-OG 3.05Å; V1066-S1141 PolarHBondContact N-O 2.75Å; V1066-S1141 VanDerWaalsContact N-O 3.17Å; T1105-S1141 WeakPolarHBondContact CA-OG 3.07Å; I1106-S1141 PolarHBondContact N-OG 2.87Å; I1106-S1141 PolarHBondContact O-OG 2.85Å; P1107-S1141 VanDerWaalsContact C-CB 3.48Å; P1107-S1141 WeakPolarHBondContact O-CB 3.37Å; P1107-S1141 PolarHBondContact O-OG 3.38Å; E1108-S1141 VanDerWaalsContact CB-C 3.48Å; E1108-S1141 VanDerWaalsContact CD-O 3.3Å; E1108-S1141 PolarHBondContact OE2-N 3.23Å; E1108-S1141 VanDerWaalsContact OE2-O 3.1Å; H1114-S1141 PolarHBondContact CE1-O 3.19Å; H1114-S1141 PolarHBondContact ND1-O 3.02Å; V1116-S1141 WeakPolarHBondContact CG2-O 3.23Å; S1141-T1191 VanDerWaalsContact CA-O 3.22Å; S1141-T1191 WeakPolarHBondContact CA-O 2.96Å; S1141-T1191 PolarHBondContact N-O 3.18Å; S1141-S1217 WeakPolarHBondContact CA-O 3.43Å
1142	V	43.8	Very low	40.5	Very low	32.6 Å²	32.6	73 Å²	73	20%	0.198	39%	0.387	C	S	.	.			trans	-141	136.7	169.8	-163.3	0	0	0	0	106.7	S1065 V1066 E1108 V1112 F1113 H1114 Q1140 N1144 F1189 T1191 S1217 V1218 E1219	S1065-V1142 CarbonylContact C-O 3.5Å; S1065-V1142 WeakPolarHBondContact CB-O 3.33Å; S1065-V1142 WeakPolarHBondContact O-CB 3.23Å; V1066-V1142 CarbonylContact C-O 3.51Å; V1066-V1142 WeakPolarHBondContact CA-O 3.48Å; V1066-V1142 HydrophobicContact CB-CG2 4.38Å; V1066-V1142 HydrophobicContact CG1-CB 4.42Å; V1066-V1142 PolarHBondContact N-O 3.23Å; V1066-V1142 WeakPolarHBondContact O-CA 3.29Å; E1108-V1142 CarbonylContact O-C 3.41Å; V1112-V1142 HydrophobicContact CB-CG2 4.25Å; V1112-V1142 HydrophobicContact CG1-CG2 3.9Å; V1112-V1142 HydrophobicContact CG2-CG1 3.93Å; V1112-V1142 HydrophobicContact CG2-CG2 3.97Å; F1113-V1142 HydrophobicContact CE2-CG2 4.17Å; F1113-V1142 HydrophobicContact CZ-CG2 4.02Å; H1114-V1142 VanDerWaalsContact C-CG1 3.42Å; H1114-V1142 PolarHBondContact CE1-N 3.23Å; H1114-V1142 VanDerWaalsContact ND1-CA 3.34Å; H1114-V1142 WeakPolarHBondContact ND1-CA 3.22Å; H1114-V1142 WeakPolarHBondContact O-CB 3.41Å; H1114-V1142 WeakPolarHBondContact O-CG1 3.07Å; Q1140-V1142 HydrophobicContact CG-CG1 3.84Å; V1142-N1144 WeakPolarHBondContact CG1-OD1 3.42Å; V1142-F1189 HydrophobicContact CB-CZ 4.18Å; V1142-F1189 HydrophobicContact CG2-CE1 3.6Å; V1142-F1189 HydrophobicContact CG2-CZ 3.84Å; V1142-T1191 VanDerWaalsContact CG2-CA 3.5Å; V1142-T1191 WeakPolarHBondContact CG2-OG1 3.43Å; V1142-S1217 PolarHBondContact N-O 3.05Å; V1142-S1217 VanDerWaalsContact N-O 3.15Å; V1142-V1218 HydrophobicContact CB-CG2 4.37Å; V1142-V1218 WeakPolarHBondContact O-CA 3.17Å; V1142-E1219 VanDerWaalsContact C-CD 3.49Å; V1142-E1219 VanDerWaalsContact C-OE2 3.23Å; V1142-E1219 HydrophobicContact CB-CB 3.42Å; V1142-E1219 VanDerWaalsContact CB-CB 3.42Å; V1142-E1219 HydrophobicContact CB-CG 4.44Å; V1142-E1219 HydrophobicContact CG2-CB 3.06Å; V1142-E1219 HydrophobicContact CG2-CG 4.15Å; V1142-E1219 PolarHBondContact O-N 3.37Å
1143	E	36.5	Very low	39.7	Very low	77.2 Å²	77.2	73.8 Å²	73.8	36%	0.361	40%	0.404	S	S	.	.			trans	-132.3	126.6	-177.8	-103.6	-173.9	161.7	0	0	109.2	E1032 R1034 H1038 V1066 E1067 N1068 P1107 E1108 E1109 Q1110 H1114 T1145 E1219 T1223	E1032-E1143 WeakPolarHBondContact CB-OE2 3.23Å; R1034-E1143 WeakPolarHBondContact CB-OE1 3.41Å; R1034-E1143 WeakPolarHBondContact CD-OE1 3.21Å; R1034-E1143 WeakPolarHBondContact CG-OE1 3.22Å; R1034-E1143 IonicContact CZ-OE1 3.95Å; R1034-E1143 IonicContact CZ-OE2 2.9Å; R1034-E1143 IonicContact NE-OE1 2.73Å; R1034-E1143 PolarHBondContact NE-OE1 2.85Å; R1034-E1143 IonicContact NE-OE2 2.75Å; R1034-E1143 PolarHBondContact NE-OE2 2.88Å; R1034-E1143 IonicContact NH1-OE1 2.62Å; R1034-E1143 IonicContact NH2-OE2 3.17Å; R1034-E1143 PolarHBondContact NH2-OE2 2.8Å; H1038-E1143 WeakPolarHBondContact CB-O 3.48Å; V1066-E1143 PolarHBondContact O-N 3.12Å; E1067-E1143 WeakPolarHBondContact CA-O 3.38Å; N1068-E1143 PolarHBondContact N-O 3.17Å; P1107-E1143 HydrophobicContact CB-CB 4.07Å; P1107-E1143 HydrophobicContact CB-CG 4.36Å; E1108-E1143 CarbonylContact C-O 3.33Å; E1108-E1143 VanDerWaalsContact N-CB 3.34Å; E1108-E1143 CarbonylContact O-C 3.46Å; E1108-E1143 PolarHBondContact O-N 3.48Å; E1109-E1143 CarbonylContact C-O 3.31Å; E1109-E1143 VanDerWaalsContact CA-O 3.29Å; E1109-E1143 WeakPolarHBondContact CA-O 3.29Å; Q1110-E1143 PolarHBondContact N-O 2.83Å; Q1110-E1143 VanDerWaalsContact N-O 3.15Å; H1114-E1143 WeakPolarHBondContact CB-O 3.44Å; H1114-E1143 PolarHBondContact CD2-N 3.15Å; H1114-E1143 PolarHBondContact CD2-O 3.38Å; E1143-T1145 WeakPolarHBondContact CB-OG1 3.44Å; E1143-T1145 PolarHBondContact O-N 3.2Å; E1143-T1145 WeakPolarHBondContact OE2-CB 3.39Å; E1143-T1145 WeakPolarHBondContact OE2-CG2 3.28Å; E1143-T1145 PolarHBondContact OE2-OG1 3.11Å; E1143-E1219 WeakPolarHBondContact CA-O 3.41Å; E1143-E1219 WeakPolarHBondContact CA-OE2 3.18Å; E1143-E1219 VanDerWaalsContact CG-OE2 3.22Å; E1143-E1219 WeakPolarHBondContact CG-OE2 3.19Å; E1143-E1219 PolarHBondContact N-OE2 3.3Å; E1143-T1223 HydrophobicContact CB-CG2 3.74Å; E1143-T1223 HydrophobicContact CG-CG2 3.76Å
1144	N	37.2	Very low	38.8	Very low	50.4 Å²	50.4	75.6 Å²	75.6	27%	0.27	41%	0.414	S	S	.	.			trans	-119.4	109.7	166.2	-99.3	-28.9	0	0	0	107.6	F1037 E1067 N1068 E1109 Q1110 V1112 F1113 V1142 S1146 E1185 E1219 T1221 T1223	F1037-N1144 WeakPolarHBondContact CA-OD1 3.14Å; F1037-N1144 WeakPolarHBondContact CB-OD1 3.36Å; F1037-N1144 WeakPolarHBondContact CD1-ND2 3.35Å; F1037-N1144 WeakPolarHBondContact CD1-OD1 3.46Å; F1037-N1144 WeakPolarHBondContact CD2-ND2 3.37Å; F1037-N1144 WeakPolarHBondContact CE2-ND2 3.4Å; F1037-N1144 WeakPolarHBondContact CG-ND2 3.13Å; F1037-N1144 WeakPolarHBondContact CG-OD1 3.09Å; F1037-N1144 WeakPolarHBondContact CZ-ND2 3.14Å; E1067-N1144 PolarHBondContact O-N 2.92Å; N1068-N1144 WeakPolarHBondContact CA-O 3.37Å; N1068-N1144 WeakPolarHBondContact CB-O 3.38Å; N1068-N1144 PolarHBondContact ND2-OD1 2.64Å; N1068-N1144 PolarHBondContact OD1-O 2.88Å; N1068-N1144 VanDerWaalsContact OD1-O 3.08Å; E1109-N1144 VanDerWaalsContact OE1-CA 3.31Å; E1109-N1144 WeakPolarHBondContact OE1-CA 3.27Å; E1109-N1144 PolarHBondContact OE1-ND2 3Å; Q1110-N1144 HydrophobicContact CB-CB 3.78Å; Q1110-N1144 HydrophobicContact CG-CB 4.36Å; Q1110-N1144 PolarHBondContact NE2-OD1 2.69Å; V1112-N1144 VanDerWaalsContact C-ND2 3.33Å; V1112-N1144 VanDerWaalsContact CA-CG 3.45Å; V1112-N1144 VanDerWaalsContact CA-ND2 3.27Å; V1112-N1144 WeakPolarHBondContact CA-ND2 3.19Å; V1112-N1144 PolarHBondContact N-ND2 3.38Å; V1112-N1144 VanDerWaalsContact O-CA 3.28Å; V1112-N1144 WeakPolarHBondContact O-CA 3.46Å; V1112-N1144 WeakPolarHBondContact O-CB 3.46Å; V1112-N1144 PolarHBondContact O-N 3.03Å; F1113-N1144 VanDerWaalsContact CA-OD1 3.23Å; F1113-N1144 WeakPolarHBondContact CA-OD1 3.39Å; F1113-N1144 PolarHBondContact N-OD1 3.39Å; F1113-N1144 PolarHBondContact O-N 3.34Å; F1113-N1144 PolarHBondContact O-OD1 3.27Å; V1142-N1144 WeakPolarHBondContact CG1-OD1 3.42Å; N1144-S1146 PolarHBondContact O-N 3Å; N1144-E1185 PolarHBondContact ND2-OE2 3.17Å; N1144-E1219 PolarHBondContact N-O 2.83Å; N1144-T1221 PolarHBondContact O-N 2.84Å; N1144-T1223 VanDerWaalsContact C-CG2 3.49Å; N1144-T1223 WeakPolarHBondContact O-CB 3.38Å; N1144-T1223 WeakPolarHBondContact O-CG2 3.15Å; N1144-T1223 PolarHBondContact O-OG1 3.15Å
1145	T	31.5	Very low	37.7	Very low	57 Å²	57	77.8 Å²	77.8	35%	0.35	43%	0.429	S	S	.	.			trans	-109.6	108	176.1	-58.4	0	0	0	0	109.8	M1036 N1068 T1069 E1143 T1147	M1036-T1145 VanDerWaalsContact O-O 3.09Å; N1068-T1145 PolarHBondContact O-N 3.49Å; N1068-T1145 PolarHBondContact OD1-OG1 3.16Å; T1069-T1145 PolarHBondContact N-OG1 3.27Å; E1143-T1145 WeakPolarHBondContact CB-OG1 3.44Å; E1143-T1145 PolarHBondContact O-N 3.2Å; E1143-T1145 WeakPolarHBondContact OE2-CB 3.39Å; E1143-T1145 WeakPolarHBondContact OE2-CG2 3.28Å; E1143-T1145 PolarHBondContact OE2-OG1 3.11Å; T1145-T1147 VanDerWaalsContact C-N 3.25Å; T1145-T1147 HydrophobicContact CG2-CG2 3.8Å; T1145-T1147 WeakPolarHBondContact O-CA 3.41Å; T1145-T1147 WeakPolarHBondContact O-CG2 3.47Å; T1145-T1147 PolarHBondContact O-N 3.08Å
1146	S	33.4	Very low	36.7	Very low	74.6 Å²	74.6	78.3 Å²	78.3	52%	0.522	44%	0.438	S	S	.	.			trans	-96.2	116.1	171.3	-176.2	0	0	0	0	109.4	P1035 N1144 Q1148 T1221 S1222 T1223	P1035-S1146 WeakPolarHBondContact CB-OG 3.41Å; P1035-S1146 WeakPolarHBondContact CG-OG 3.19Å; N1144-S1146 PolarHBondContact O-N 3Å; S1146-Q1148 VanDerWaalsContact C-N 3.33Å; S1146-Q1148 PolarHBondContact O-N 3.06Å; S1146-T1221 PolarHBondContact N-O 2.72Å; S1146-S1222 PolarHBondContact OG-O 2.84Å; S1146-T1223 PolarHBondContact N-OG1 3.42Å; S1146-T1223 PolarHBondContact O-N 2.78Å; S1146-T1223 PolarHBondContact O-OG1 2.98Å; S1146-T1223 VanDerWaalsContact O-OG1 3.09Å
1147	T	29.9	Very low	35.8	Very low	67.8 Å²	67.8	81.2 Å²	81.2	42%	0.416	45%	0.453	S	S	.	.			trans	-113.8	113.3	-174	26.2	0	0	0	0	112.1	E1067 N1068 S1070 T1145 T1149 T1223 Q1224	E1067-T1147 HydrophobicContact CB-CG2 3.8Å; E1067-T1147 HydrophobicContact CG-CG2 3.74Å; E1067-T1147 WeakPolarHBondContact OE1-CG2 3.28Å; N1068-T1147 PolarHBondContact O-OG1 3.05Å; S1070-T1147 VanDerWaalsContact CB-OG1 3.26Å; S1070-T1147 WeakPolarHBondContact CB-OG1 3.43Å; S1070-T1147 PolarHBondContact OG-OG1 2.56Å; T1145-T1147 VanDerWaalsContact C-N 3.25Å; T1145-T1147 HydrophobicContact CG2-CG2 3.8Å; T1145-T1147 WeakPolarHBondContact O-CA 3.41Å; T1145-T1147 WeakPolarHBondContact O-CG2 3.47Å; T1145-T1147 PolarHBondContact O-N 3.08Å; T1147-T1149 PolarHBondContact O-N 2.83Å; T1147-T1223 WeakPolarHBondContact CG2-OG1 3.36Å; T1147-T1223 VanDerWaalsContact O-CA 3.25Å; T1147-T1223 WeakPolarHBondContact O-CA 3.11Å; T1147-T1223 VanDerWaalsContact O-CB 3.29Å; T1147-T1223 WeakPolarHBondContact O-CB 3.49Å; T1147-Q1224 PolarHBondContact O-N 2.79Å; T1147-Q1224 VanDerWaalsContact O-N 3.15Å
1148	Q	26.7	Very low	35	Very low	144.2 Å²	144.2	84.5 Å²	84.5	67%	0.674	47%	0.473	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.2	111.4	170.7	-176.6	-179.7	-14.3	0	0	110.1	S1146 D1150 Q1224	S1146-Q1148 VanDerWaalsContact C-N 3.33Å; S1146-Q1148 PolarHBondContact O-N 3.06Å; Q1148-D1150 PolarHBondContact NE2-OD1 2.71Å; Q1148-D1150 PolarHBondContact O-N 2.9Å; Q1148-Q1224 CarbonylContact C-O 3.43Å; Q1148-Q1224 WeakPolarHBondContact CA-O 3Å; Q1148-Q1224 HydrophobicContact CG-CB 4.23Å
1149	T	29.8	Very low	34.4	Very low	99.8 Å²	99.8	86.1 Å²	86.1	61%	0.612	48%	0.482	S	S	*	.			trans	-132.9	127.6	171.3	-57.7	0	0	0	0	113	Q1072 T1147 Q1224 T1225	Q1072-T1149 PolarHBondContact NE2-OG1 3.19Å; T1147-T1149 PolarHBondContact O-N 2.83Å; T1149-Q1224 PolarHBondContact N-O 3.29Å; T1149-T1225 WeakPolarHBondContact O-CA 3.45Å; T1149-T1225 VanDerWaalsContact O-CB 3.32Å; T1149-T1225 WeakPolarHBondContact O-CB 3.31Å; T1149-T1225 WeakPolarHBondContact O-CG2 3.43Å; T1149-T1225 PolarHBondContact O-OG1 3.29Å
1150	D	31.1	Very low	33.9	Very low	106 Å²	106	81.6 Å²	81.6	57%	0.567	47%	0.471	S	S	*	.			trans	-102.7	134	167.6	-132.9	1.4	0	0	0	111.8	Q1072 Q1148 M1152 Q1154	Q1072-D1150 PolarHBondContact NE2-OD1 2.9Å; Q1148-D1150 PolarHBondContact NE2-OD1 2.71Å; Q1148-D1150 PolarHBondContact O-N 2.9Å; D1150-M1152 VanDerWaalsContact C-N 3.3Å; D1150-M1152 PolarHBondContact O-N 3.14Å; D1150-M1152 VanDerWaalsContact OD2-CB 3.32Å; D1150-M1152 WeakPolarHBondContact OD2-CB 3.38Å; D1150-M1152 WeakPolarHBondContact OD2-CG 3.44Å; D1150-M1152 PolarHBondContact OD2-N 3.36Å; D1150-Q1154 VanDerWaalsContact N-OE1 3.13Å; D1150-Q1154 WeakPolarHBondContact O-CG 3.46Å; D1150-Q1154 PolarHBondContact O-NE2 3.13Å; D1150-Q1154 PolarHBondContact O-OE1 2.75Å
1151	P	32.2	Very low	33.9	Very low	103.8 Å²	103.8	83.6 Å²	83.6	67%	0.674	48%	0.478	S	S	*	.			trans	-77.2	87.5	-172.5	30.3	-35.5	0	0	0	114.1	A1153 P1227	P1151-A1153 PolarHBondContact O-N 3.22Å; P1151-P1227 HydrophobicContact CB-CG 4.46Å
1152	M	31.3	Very low	34.6	Very low	147 Å²	147	83.1 Å²	83.1	72%	0.724	47%	0.474	S	S	*	.			trans	-74.3	94	170.2	-73.3	-153.4	54.9	0	0	112.2	P1075 Q1078 D1150 Q1154	P1075-M1152 HydrophobicContact CB-CB 4.23Å; P1075-M1152 HydrophobicContact CG-CB 3.93Å; P1075-M1152 HydrophobicContact CG-CE 3.62Å; P1075-M1152 HydrophobicContact CG-CG 4.16Å; Q1078-M1152 VanDerWaalsContact NE2-CE 3.28Å; Q1078-M1152 PolarHBondContact NE2-O 3.48Å; Q1078-M1152 PolarHBondContact NE2-SD 2.78Å; D1150-M1152 VanDerWaalsContact C-N 3.3Å; D1150-M1152 PolarHBondContact O-N 3.14Å; D1150-M1152 VanDerWaalsContact OD2-CB 3.32Å; D1150-M1152 WeakPolarHBondContact OD2-CB 3.38Å; D1150-M1152 WeakPolarHBondContact OD2-CG 3.44Å; D1150-M1152 PolarHBondContact OD2-N 3.36Å; M1152-Q1154 WeakPolarHBondContact O-CG 3.21Å; M1152-Q1154 PolarHBondContact O-N 2.82Å
1153	A	31.4	Very low	35.1	Very low	71 Å²	71	82.8 Å²	82.8	59%	0.587	47%	0.472	S	S	*	.			trans	-20	117.1	175.3	0	0	0	0	0	114.4	Q1078 P1151 V1155 M1228	Q1078-A1153 HydrophobicContact CG-CB 4.25Å; Q1078-A1153 PolarHBondContact OE1-O 2.89Å; P1151-A1153 PolarHBondContact O-N 3.22Å; A1153-V1155 PolarHBondContact O-N 3.15Å; A1153-M1228 HydrophobicContact CB-CG 3.94Å; A1153-M1228 HydrophobicContact CB-SD 3.72Å
1154	Q	28.8	Very low	36.5	Very low	127 Å²	127	81.2 Å²	81.2	59%	0.593	46%	0.464	S	S	*	.			trans	-131.5	129.7	168.6	-62.6	171.2	64.8	0	0	113.4	D1150 M1152 T1225 D1226 P1227 V1231	D1150-Q1154 VanDerWaalsContact N-OE1 3.13Å; D1150-Q1154 WeakPolarHBondContact O-CG 3.46Å; D1150-Q1154 PolarHBondContact O-NE2 3.13Å; D1150-Q1154 PolarHBondContact O-OE1 2.75Å; M1152-Q1154 WeakPolarHBondContact O-CG 3.21Å; M1152-Q1154 PolarHBondContact O-N 2.82Å; Q1154-T1225 HydrophobicContact CB-CG2 4.14Å; Q1154-T1225 HydrophobicContact CG-CG2 4.09Å; Q1154-D1226 WeakPolarHBondContact CB-O 3.05Å; Q1154-D1226 PolarHBondContact NE2-O 2.78Å; Q1154-D1226 PolarHBondContact NE2-OD2 3.01Å; Q1154-D1226 PolarHBondContact OE1-O 3.28Å; Q1154-P1227 WeakPolarHBondContact CB-O 3.09Å; Q1154-P1227 PolarHBondContact N-O 3.26Å; Q1154-P1227 PolarHBondContact NE2-O 3.47Å; Q1154-V1231 HydrophobicContact CB-CG2 3.58Å; Q1154-V1231 WeakPolarHBondContact O-CG2 3.16Å
1155	V	28.8	Very low	38.1	Very low	91.8 Å²	91.8	81.5 Å²	81.5	56%	0.556	47%	0.465	S	S	*	.			trans	-119.8	136.7	160.1	172.2	0	0	0	0	110.6	W1004 Q1078 P1080 A1153 T1157 D1226	W1004-V1155 HydrophobicContact CH2-CB 4.16Å; W1004-V1155 HydrophobicContact CH2-CG1 3.97Å; W1004-V1155 HydrophobicContact CH2-CG2 4.15Å; W1004-V1155 HydrophobicContact CZ2-CG1 4.27Å; W1004-V1155 HydrophobicContact CZ2-CG2 4.17Å; Q1078-V1155 HydrophobicContact CB-CG2 4.4Å; P1080-V1155 HydrophobicContact CB-CG1 4.04Å; P1080-V1155 HydrophobicContact CB-CG2 4.08Å; P1080-V1155 HydrophobicContact CG-CG1 4.44Å; P1080-V1155 HydrophobicContact CG-CG2 3.82Å; A1153-V1155 PolarHBondContact O-N 3.15Å; V1155-T1157 PolarHBondContact O-N 3.11Å; V1155-D1226 CarbonylContact C-O 3.29Å
1156	P	29.1	Very low	39.8	Very low	73.2 Å²	73.2	80.8 Å²	80.8	48%	0.475	46%	0.461	S	S	.	.			trans	-67.2	122.2	-177.5	17.2	-23.5	0	0	0	113.1	V1158 D1226 V1231	P1156-V1158 PolarHBondContact O-N 3.07Å; P1156-V1158 VanDerWaalsContact O-N 3.11Å; P1156-D1226 WeakPolarHBondContact CA-O 3.06Å; P1156-V1231 HydrophobicContact CB-CG1 3.85Å; P1156-V1231 HydrophobicContact CB-CG2 4.34Å; P1156-V1231 WeakPolarHBondContact CB-O 3.19Å; P1156-V1231 HydrophobicContact CG-CG1 3.97Å
1157	T	29.7	Very low	41.6	Very low	80.6 Å²	80.6	78 Å²	78	49%	0.494	44%	0.441	S	S	.	.			trans	-80.7	113.3	175.1	-56	0	0	0	0	110.5	L1083 V1155 L1159 T1225 T1233 V1234	L1083-T1157 HydrophobicContact CD1-CG2 4.1Å; V1155-T1157 PolarHBondContact O-N 3.11Å; T1157-L1159 HydrophobicContact CG2-CD1 4.36Å; T1157-L1159 HydrophobicContact CG2-CD2 3.48Å; T1157-L1159 VanDerWaalsContact CG2-CD2 3.48Å; T1157-L1159 HydrophobicContact CG2-CG 3.95Å; T1157-L1159 PolarHBondContact O-N 3.05Å; T1157-T1225 WeakPolarHBondContact OG1-CB 3.32Å; T1157-T1225 WeakPolarHBondContact OG1-CG2 3.21Å; T1157-T1225 PolarHBondContact OG1-OG1 3.28Å; T1157-T1225 VanDerWaalsContact OG1-OG1 3.05Å; T1157-T1233 WeakPolarHBondContact O-CA 3.32Å; T1157-T1233 WeakPolarHBondContact O-CG2 3.12Å; T1157-V1234 PolarHBondContact O-N 2.8Å
1158	V	33.9	Very low	43.3	Very low	107 Å²	107	76.4 Å²	76.4	65%	0.648	43%	0.431	S	S	*	.			trans	-91.3	111.6	172	-177.8	0	0	0	0	108.9	P1156 V1234	P1156-V1158 PolarHBondContact O-N 3.07Å; P1156-V1158 VanDerWaalsContact O-N 3.11Å; V1158-V1234 HydrophobicContact CG2-CB 4.45Å
1159	L	37.3	Very low	45.1	Very low	77.8 Å²	77.8	71.4 Å²	71.4	41%	0.407	41%	0.408	S	S	.	.			trans	-76.5	147.1	177.8	-76.4	146.7	0	0	0	111.1	L1083 T1157 K1161 T1223 T1233 V1234 L1235 P1236	L1083-L1159 HydrophobicContact CD1-CD2 4.28Å; L1083-L1159 HydrophobicContact CD2-CD2 3.75Å; T1157-L1159 HydrophobicContact CG2-CD1 4.36Å; T1157-L1159 HydrophobicContact CG2-CD2 3.48Å; T1157-L1159 VanDerWaalsContact CG2-CD2 3.48Å; T1157-L1159 HydrophobicContact CG2-CG 3.95Å; T1157-L1159 PolarHBondContact O-N 3.05Å; L1159-K1161 PolarHBondContact O-N 3.39Å; L1159-T1223 WeakPolarHBondContact CD1-OG1 3.32Å; L1159-T1233 HydrophobicContact CD1-CG2 4.34Å; L1159-V1234 WeakPolarHBondContact CB-O 3Å; L1159-V1234 PolarHBondContact N-O 3.35Å; L1159-L1235 HydrophobicContact CD1-CD2 3.76Å; L1159-L1235 HydrophobicContact CD1-CG 4.23Å; L1159-P1236 HydrophobicContact CB-CB 4.19Å; L1159-P1236 HydrophobicContact CB-CG 4.01Å; L1159-P1236 WeakPolarHBondContact O-CG 3.4Å
1160	P	39.1	Very low	46.6	Very low	40.4 Å²	40.4	68.6 Å²	68.6	26%	0.262	39%	0.392	S	S	.	.			trans	-74.2	138.7	-175.2	30.1	-35.1	0	0	0	112.1	L1083 P1084 K1085 T1162 P1236	L1083-P1160 HydrophobicContact CB-CB 4.41Å; L1083-P1160 HydrophobicContact CB-CG 3.99Å; L1083-P1160 HydrophobicContact CD2-CG 4.41Å; L1083-P1160 WeakPolarHBondContact O-CG 3.22Å; P1084-P1160 WeakPolarHBondContact O-CB 3.23Å; P1084-P1160 WeakPolarHBondContact O-CG 3.38Å; K1085-P1160 HydrophobicContact CB-CB 4.31Å; K1085-P1160 HydrophobicContact CB-CG 4.47Å; P1160-T1162 PolarHBondContact O-N 3Å; P1160-P1236 WeakPolarHBondContact O-CB 3.39Å
1161	K	47	Very low	48	Very low	84.2 Å²	84.2	64.3 Å²	64.3	37%	0.366	37%	0.373	S	S	.	.			trans	-70.1	111.2	175.1	-171.2	-153.3	174.3	-154.3	0	111.4	K1085 L1159 T1163 P1236 K1237 T1239	K1085-K1161 VanDerWaalsContact CD-O 3.25Å; K1085-K1161 WeakPolarHBondContact CD-O 3.42Å; K1085-K1161 VanDerWaalsContact CE-O 3.3Å; K1085-K1161 WeakPolarHBondContact CE-O 3.38Å; K1085-K1161 WeakPolarHBondContact CG-O 3.48Å; K1085-K1161 PolarHBondContact NZ-O 2.82Å; L1159-K1161 PolarHBondContact O-N 3.39Å; K1161-T1163 HydrophobicContact CD-CG2 3.83Å; K1161-T1163 WeakPolarHBondContact CD-OG1 3.4Å; K1161-T1163 VanDerWaalsContact CE-CG2 3.49Å; K1161-T1163 VanDerWaalsContact CE-OG1 3.28Å; K1161-T1163 WeakPolarHBondContact CE-OG1 3.11Å; K1161-T1163 VanDerWaalsContact NZ-CG2 3.28Å; K1161-T1163 PolarHBondContact NZ-OG1 2.97Å; K1161-T1163 PolarHBondContact O-N 2.89Å; K1161-T1163 PolarHBondContact O-OG1 2.94Å; K1161-T1163 VanDerWaalsContact O-OG1 3.12Å; K1161-P1236 HydrophobicContact CB-CB 4.31Å; K1161-K1237 WeakPolarHBondContact CD-O 3.43Å; K1161-K1237 VanDerWaalsContact CE-O 3.24Å; K1161-K1237 WeakPolarHBondContact CE-O 3.4Å; K1161-K1237 HydrophobicContact CG-CB 4.43Å; K1161-K1237 VanDerWaalsContact CG-O 3.22Å; K1161-K1237 WeakPolarHBondContact CG-O 3.31Å; K1161-K1237 PolarHBondContact NZ-O 2.81Å; K1161-T1239 WeakPolarHBondContact CE-OG1 3.39Å; K1161-T1239 PolarHBondContact NZ-OG1 2.87Å
1162	T	57.5	Low	49.4	Very low	32.4 Å²	32.4	61.2 Å²	61.2	20%	0.199	35%	0.352	C	S	.	.			trans	-79.1	144.6	166	-31.5	0	0	0	0	110.3	F1088 P1160 F1164 E1219 K1237 T1238 T1239	F1088-T1162 HydrophobicContact CD2-CG2 4.42Å; F1088-T1162 HydrophobicContact CE2-CG2 4.29Å; P1160-T1162 PolarHBondContact O-N 3Å; T1162-F1164 HydrophobicContact CG2-CD2 4.22Å; T1162-F1164 HydrophobicContact CG2-CE1 4.36Å; T1162-F1164 HydrophobicContact CG2-CE2 3.64Å; T1162-F1164 VanDerWaalsContact CG2-CE2 3.48Å; T1162-F1164 HydrophobicContact CG2-CZ 3.97Å; T1162-F1164 WeakPolarHBondContact OG1-CE2 3.47Å; T1162-F1164 WeakPolarHBondContact OG1-CZ 3.38Å; T1162-E1219 WeakPolarHBondContact CG2-OE1 3.29Å; T1162-K1237 PolarHBondContact N-O 3.01Å; T1162-K1237 VanDerWaalsContact O-O 3.05Å; T1162-T1238 WeakPolarHBondContact CB-OG1 3.17Å; T1162-T1238 HydrophobicContact CG2-CG2 3.99Å; T1162-T1239 PolarHBondContact O-N 3.01Å
1163	T	54.1	Low	50.9	Low	25.4 Å²	25.4	55.5 Å²	55.5	16%	0.156	33%	0.326	C	S	.	.			trans	-139.5	137.2	173.3	-17.9	0	0	0	0	107.6	K1085 T1086 T1087 F1088 K1161 D1165 T1239 D1241	K1085-T1163 PolarHBondContact NZ-O 2.73Å; K1085-T1163 PolarHBondContact NZ-OG1 3.06Å; K1085-T1163 VanDerWaalsContact NZ-OG1 3.08Å; T1086-T1163 PolarHBondContact O-N 3.37Å; T1087-T1163 HydrophobicContact CG2-CG2 3.93Å; T1087-T1163 WeakPolarHBondContact CG2-OG1 3.49Å; F1088-T1163 PolarHBondContact N-O 3.17Å; F1088-T1163 VanDerWaalsContact N-O 3.13Å; K1161-T1163 HydrophobicContact CD-CG2 3.83Å; K1161-T1163 WeakPolarHBondContact CD-OG1 3.4Å; K1161-T1163 VanDerWaalsContact CE-CG2 3.49Å; K1161-T1163 VanDerWaalsContact CE-OG1 3.28Å; K1161-T1163 WeakPolarHBondContact CE-OG1 3.11Å; K1161-T1163 VanDerWaalsContact NZ-CG2 3.28Å; K1161-T1163 PolarHBondContact NZ-OG1 2.97Å; K1161-T1163 PolarHBondContact O-N 2.89Å; K1161-T1163 PolarHBondContact O-OG1 2.94Å; K1161-T1163 VanDerWaalsContact O-OG1 3.12Å; T1163-D1165 WeakPolarHBondContact CG2-OD1 3.12Å; T1163-T1239 WeakPolarHBondContact CA-O 3Å; T1163-D1241 VanDerWaalsContact CG2-CG 3.5Å; T1163-D1241 WeakPolarHBondContact CG2-OD1 3.39Å
1164	F	66	Low	52.3	Low	44.2 Å²	44.2	54.5 Å²	54.5	19%	0.194	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	127.3	174.8	-62.3	-89.5	0	0	0	109	F1088 V1091 T1162 V1167 E1219 T1238 T1239 F1240 D1241 V1242	F1088-F1164 HydrophobicContact CB-CD1 3.9Å; F1088-F1164 HydrophobicContact CB-CE1 4.14Å; F1088-F1164 HydrophobicContact CB-CG 4.48Å; F1088-F1164 AromaticContact CD2-CD1 3.81Å; F1088-F1164 HydrophobicContact CD2-CD1 3.86Å; F1088-F1164 AromaticContact CD2-CE1 3.46Å; F1088-F1164 HydrophobicContact CD2-CE1 3.46Å; F1088-F1164 VanDerWaalsContact CD2-CE1 3.45Å; F1088-F1164 AromaticContact CD2-CZ 3.88Å; F1088-F1164 HydrophobicContact CD2-CZ 4.03Å; F1088-F1164 AromaticContact CE2-CE1 3.91Å; F1088-F1164 HydrophobicContact CE2-CE1 4.05Å; F1088-F1164 HydrophobicContact CE2-CZ 4.25Å; F1088-F1164 AromaticContact CG-CD1 3.9Å; F1088-F1164 HydrophobicContact CG-CD1 4.11Å; F1088-F1164 AromaticContact CG-CE1 3.74Å; F1088-F1164 HydrophobicContact CG-CE1 4.02Å; F1088-F1164 WeakPolarHBondContact O-CA 3.41Å; V1091-F1164 HydrophobicContact CB-CD1 4.39Å; V1091-F1164 HydrophobicContact CG2-CD1 3.9Å; V1091-F1164 HydrophobicContact CG2-CE1 4.17Å; T1162-F1164 HydrophobicContact CG2-CD2 4.22Å; T1162-F1164 HydrophobicContact CG2-CE1 4.36Å; T1162-F1164 HydrophobicContact CG2-CE2 3.64Å; T1162-F1164 VanDerWaalsContact CG2-CE2 3.48Å; T1162-F1164 HydrophobicContact CG2-CZ 3.97Å; T1162-F1164 WeakPolarHBondContact OG1-CE2 3.47Å; T1162-F1164 WeakPolarHBondContact OG1-CZ 3.38Å; F1164-V1167 HydrophobicContact CB-CG2 3.67Å; F1164-V1167 VanDerWaalsContact CB-CG2 3.43Å; F1164-V1167 HydrophobicContact CD1-CG2 4.01Å; F1164-V1167 HydrophobicContact CD2-CG2 4.01Å; F1164-V1167 HydrophobicContact CG-CG2 3.92Å; F1164-E1219 WeakPolarHBondContact CE2-OE1 3.25Å; F1164-T1238 HydrophobicContact CE2-CG2 4.37Å; F1164-T1239 PolarHBondContact N-O 2.99Å; F1164-T1239 VanDerWaalsContact N-O 3.14Å; F1164-F1240 HydrophobicContact CB-CD1 3.82Å; F1164-F1240 HydrophobicContact CB-CE1 4.03Å; F1164-F1240 HydrophobicContact CB-CG 4.5Å; F1164-F1240 HydrophobicContact CD1-CE1 4.39Å; F1164-F1240 AromaticContact CD2-CD1 3.7Å; F1164-F1240 HydrophobicContact CD2-CD1 3.78Å; F1164-F1240 AromaticContact CD2-CE1 3.35Å; F1164-F1240 HydrophobicContact CD2-CE1 3.35Å; F1164-F1240 HydrophobicContact CD2-CG 4.46Å; F1164-F1240 AromaticContact CD2-CZ 3.78Å; F1164-F1240 HydrophobicContact CD2-CZ 4Å; F1164-F1240 HydrophobicContact CE2-CD1 4.47Å; F1164-F1240 AromaticContact CE2-CE1 3.78Å; F1164-F1240 HydrophobicContact CE2-CE1 3.86Å; F1164-F1240 AromaticContact CE2-CZ 3.99Å; F1164-F1240 HydrophobicContact CE2-CZ 4.12Å; F1164-F1240 AromaticContact CG-CD1 3.91Å; F1164-F1240 HydrophobicContact CG-CD1 4.06Å; F1164-F1240 AromaticContact CG-CE1 3.75Å; F1164-F1240 HydrophobicContact CG-CE1 3.91Å; F1164-F1240 HydrophobicContact CG-CZ 4.32Å; F1164-F1240 WeakPolarHBondContact O-CA 3.14Å; F1164-D1241 PolarHBondContact O-N 3Å; F1164-V1242 PolarHBondContact O-N 3.18Å
1165	D	72	Confident	53.9	Low	55.6 Å²	55.6	49.3 Å²	49.3	30%	0.297	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	-43.8	-175.1	-68.1	16.9	0	0	0	109.4	K1085 T1087 F1088 D1089 V1090 T1163 Q1186 D1241 V1242	K1085-D1165 IonicContact NZ-OD1 3.3Å; K1085-D1165 PolarHBondContact NZ-OD1 2.86Å; K1085-D1165 IonicContact NZ-OD2 3.97Å; K1085-D1165 PolarHBondContact NZ-OD2 2.86Å; T1087-D1165 VanDerWaalsContact CA-OD1 3.25Å; T1087-D1165 WeakPolarHBondContact CA-OD1 3.35Å; T1087-D1165 WeakPolarHBondContact CB-OD1 3.1Å; F1088-D1165 PolarHBondContact N-OD1 3.44Å; F1088-D1165 PolarHBondContact O-N 3.3Å; D1089-D1165 WeakPolarHBondContact O-CB 3.2Å; D1089-D1165 PolarHBondContact O-N 3.05Å; V1090-D1165 PolarHBondContact N-O 2.89Å; T1163-D1165 WeakPolarHBondContact CG2-OD1 3.12Å; D1165-Q1186 PolarHBondContact OD2-NE2 2.9Å; D1165-D1241 PolarHBondContact O-N 2.96Å; D1165-V1242 VanDerWaalsContact O-CB 3.27Å; D1165-V1242 WeakPolarHBondContact O-CB 3.48Å; D1165-V1242 WeakPolarHBondContact O-CG2 3.37Å; D1165-V1242 PolarHBondContact O-N 2.95Å
1166	V	67.3	Low	55.1	Low	42 Å²	42	46.6 Å²	46.6	26%	0.255	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	117.6	172.5	-173.4	0	0	0	0	112	V207 F1088 D1089 V1090 V1091 D1241 V1242 V1243	V207-V1166 HydrophobicContact CG1-CG1 4.3Å; V207-V1166 HydrophobicContact CG2-CG1 4.34Å; V207-V1166 HydrophobicContact CG2-CG2 3.71Å; F1088-V1166 PolarHBondContact O-N 2.81Å; D1089-V1166 VanDerWaalsContact O-CB 3.29Å; D1089-V1166 WeakPolarHBondContact O-CB 3.49Å; D1089-V1166 VanDerWaalsContact O-CG2 3.25Å; D1089-V1166 WeakPolarHBondContact O-CG2 3.42Å; D1089-V1166 PolarHBondContact O-N 3.01Å; V1090-V1166 WeakPolarHBondContact CA-O 3.3Å; V1090-V1166 HydrophobicContact CB-CG2 4.46Å; V1090-V1166 HydrophobicContact CG1-CB 4.27Å; V1090-V1166 HydrophobicContact CG2-CB 4.24Å; V1090-V1166 HydrophobicContact CG2-CG2 4.31Å; V1091-V1166 PolarHBondContact N-O 3.08Å; V1166-D1241 PolarHBondContact N-O 2.73Å; V1166-V1242 WeakPolarHBondContact CA-O 3.15Å; V1166-V1242 HydrophobicContact CB-CG1 4.49Å; V1166-V1242 HydrophobicContact CB-CG2 4.42Å; V1166-V1242 HydrophobicContact CG1-CB 4.48Å; V1166-V1242 HydrophobicContact CG1-CG1 4.36Å; V1166-V1242 HydrophobicContact CG2-CB 4.42Å; V1166-V1242 HydrophobicContact CG2-CG1 4.47Å; V1166-V1242 WeakPolarHBondContact O-CA 3.45Å; V1166-V1243 PolarHBondContact O-N 2.72Å
1167	V	70.4	Confident	56.3	Low	15.8 Å²	15.8	45.1 Å²	45.1	10%	0.096	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	122.6	173.7	-176.3	0	0	0	0	111	V1090 V1091 T1092 I1106 F1164 Q1169 F1240 V1242 V1243 T1244	V1090-V1167 PolarHBondContact O-N 3.28Å; V1091-V1167 WeakPolarHBondContact CA-O 3.22Å; V1091-V1167 HydrophobicContact CB-CG2 4.48Å; V1091-V1167 WeakPolarHBondContact O-CA 3.38Å; T1092-V1167 PolarHBondContact N-O 3.13Å; I1106-V1167 HydrophobicContact CD1-CG1 4.26Å; F1164-V1167 HydrophobicContact CB-CG2 3.67Å; F1164-V1167 VanDerWaalsContact CB-CG2 3.43Å; F1164-V1167 HydrophobicContact CD1-CG2 4.01Å; F1164-V1167 HydrophobicContact CD2-CG2 4.01Å; F1164-V1167 HydrophobicContact CG-CG2 3.92Å; V1167-Q1169 HydrophobicContact CG1-CG 4.08Å; V1167-F1240 HydrophobicContact CB-CD1 4.41Å; V1167-F1240 HydrophobicContact CG2-CD1 3.98Å; V1167-F1240 HydrophobicContact CG2-CE1 4.13Å; V1167-V1242 PolarHBondContact N-O 3Å; V1167-V1243 WeakPolarHBondContact CA-O 3.13Å; V1167-V1243 HydrophobicContact CB-CG1 4.49Å; V1167-V1243 HydrophobicContact CB-CG2 4.45Å; V1167-V1243 HydrophobicContact CG2-CG2 4.17Å; V1167-T1244 CarbonylContact C-O 3.24Å; V1167-T1244 WeakPolarHBondContact O-CA 3.3Å; V1167-T1244 VanDerWaalsContact O-CB 3.31Å; V1167-T1244 WeakPolarHBondContact O-CB 3.38Å; V1167-T1244 PolarHBondContact O-N 3.22Å; V1167-T1244 VanDerWaalsContact O-O 3.08Å
1168	T	66.7	Low	57.1	Low	35.8 Å²	35.8	42.7 Å²	42.7	22%	0.22	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	127.1	174.6	-66	0	0	0	0	111.1	T209 T285 V1091 T1092 Q1093 V1243 T1244 Q1245	T209-T1168 HydrophobicContact CG2-CG2 4.49Å; T285-T1168 HydrophobicContact CG2-CG2 4.36Å; V1091-T1168 CarbonylContact C-O 3.43Å; V1091-T1168 WeakPolarHBondContact CG1-O 3.15Å; V1091-T1168 CarbonylContact O-C 3.54Å; V1091-T1168 WeakPolarHBondContact O-CA 3.22Å; V1091-T1168 WeakPolarHBondContact O-CB 3.45Å; V1091-T1168 WeakPolarHBondContact O-CG2 3.26Å; V1091-T1168 PolarHBondContact O-N 3.12Å; T1092-T1168 VanDerWaalsContact CA-O 3.32Å; T1092-T1168 WeakPolarHBondContact CA-O 3.28Å; T1092-T1168 PolarHBondContact N-O 2.95Å; T1092-T1168 WeakPolarHBondContact O-CA 3.03Å; Q1093-T1168 PolarHBondContact N-O 3.08Å; T1168-V1243 PolarHBondContact N-O 2.76Å; T1168-T1244 WeakPolarHBondContact CA-O 3.28Å; T1168-T1244 WeakPolarHBondContact O-CA 3.35Å; T1168-Q1245 PolarHBondContact O-N 2.83Å
1169	Q	63	Low	58.1	Low	37.8 Å²	37.8	39.4 Å²	39.4	18%	0.177	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	135.5	179.7	-75.3	-179	-2.3	0	0	111.5	T1092 Q1093 S1094 V1167 R1215 Q1216 T1244 Q1245 S1246	T1092-Q1169 PolarHBondContact O-N 3.49Å; Q1093-Q1169 WeakPolarHBondContact CA-O 3.04Å; Q1093-Q1169 HydrophobicContact CB-CB 4.46Å; Q1093-Q1169 HydrophobicContact CB-CG 4.36Å; Q1093-Q1169 HydrophobicContact CG-CB 4.47Å; Q1093-Q1169 HydrophobicContact CG-CG 4.33Å; Q1093-Q1169 CarbonylContact O-C 3.52Å; Q1093-Q1169 WeakPolarHBondContact O-CA 3.2Å; S1094-Q1169 PolarHBondContact N-O 3.45Å; V1167-Q1169 HydrophobicContact CG1-CG 4.08Å; Q1169-R1215 HydrophobicContact CB-CG 4.49Å; Q1169-Q1216 PolarHBondContact OE1-O 2.91Å; Q1169-T1244 PolarHBondContact N-O 3.17Å; Q1169-Q1245 WeakPolarHBondContact CA-O 3.04Å; Q1169-Q1245 HydrophobicContact CB-CG 4.12Å; Q1169-Q1245 VanDerWaalsContact CD-CG 3.44Å; Q1169-Q1245 HydrophobicContact CG-CG 3.82Å; Q1169-Q1245 CarbonylContact O-C 3.55Å; Q1169-Q1245 VanDerWaalsContact O-CA 3.29Å; Q1169-Q1245 WeakPolarHBondContact O-CA 3.38Å; Q1169-Q1245 VanDerWaalsContact OE1-CG 3.28Å; Q1169-S1246 CarbonylContact C-O 3.29Å; Q1169-S1246 PolarHBondContact O-N 3.15Å
1170	S	60.9	Low	58.5	Low	41.4 Å²	41.4	37.5 Å²	37.5	29%	0.29	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	156.8	174.7	148.2	0	0	0	0	113.2	S287 Q1093 S1094 G1095 R1215 Q1245 S1246 G1247	S287-S1170 WeakPolarHBondContact OG-CB 3.44Å; S287-S1170 PolarHBondContact OG-OG 2.65Å; Q1093-S1170 CarbonylContact O-C 3.47Å; Q1093-S1170 VanDerWaalsContact O-CA 3.28Å; Q1093-S1170 WeakPolarHBondContact O-CA 3.38Å; Q1093-S1170 WeakPolarHBondContact O-CB 3.47Å; Q1093-S1170 PolarHBondContact O-N 2.9Å; Q1093-S1170 VanDerWaalsContact O-N 3.08Å; Q1093-S1170 VanDerWaalsContact O-O 3.13Å; S1094-S1170 VanDerWaalsContact CA-O 3.31Å; S1094-S1170 WeakPolarHBondContact CA-O 3.12Å; S1094-S1170 WeakPolarHBondContact O-CA 3.5Å; S1094-S1170 WeakPolarHBondContact O-CB 3.49Å; S1094-S1170 PolarHBondContact O-OG 3.3Å; G1095-S1170 PolarHBondContact N-O 3.15Å; G1095-S1170 VanDerWaalsContact N-O 3.15Å; S1170-R1215 PolarHBondContact O-NE 2.86Å; S1170-R1215 VanDerWaalsContact O-NE 3.14Å; S1170-R1215 PolarHBondContact O-NH2 2.69Å; S1170-R1215 VanDerWaalsContact O-NH2 3.11Å; S1170-Q1245 PolarHBondContact N-O 2.91Å; S1170-S1246 WeakPolarHBondContact CA-O 3.16Å; S1170-S1246 WeakPolarHBondContact CB-O 3.46Å; S1170-S1246 VanDerWaalsContact O-CA 3.28Å; S1170-S1246 WeakPolarHBondContact O-CA 3.47Å; S1170-G1247 PolarHBondContact O-N 3.23Å; S1170-G1247 VanDerWaalsContact O-N 3.1Å
1171	G	62.2	Low	58.7	Low	16 Å²	16	36.5 Å²	36.5	17%	0.165	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.2	154.8	177.9	0	0	0	0	0	115.4	S1094 G1095 T1096 T1137 S1246 G1247 T1248	S1094-G1171 PolarHBondContact O-N 3.25Å; S1094-G1171 VanDerWaalsContact O-N 3.15Å; G1095-G1171 CarbonylContact C-O 3.59Å; G1095-G1171 WeakPolarHBondContact CA-O 3.34Å; G1095-G1171 CarbonylContact O-C 3.57Å; G1095-G1171 VanDerWaalsContact O-CA 3.22Å; G1095-G1171 WeakPolarHBondContact O-CA 3.32Å; T1096-G1171 PolarHBondContact N-O 3.3Å; T1137-G1171 PolarHBondContact OG1-O 3.29Å; G1171-S1246 PolarHBondContact N-O 2.97Å; G1171-S1246 VanDerWaalsContact N-O 3.13Å; G1171-G1247 VanDerWaalsContact CA-O 3.29Å; G1171-G1247 WeakPolarHBondContact CA-O 3.48Å; G1171-G1247 CarbonylContact O-C 3.47Å; G1171-G1247 WeakPolarHBondContact O-CA 3.38Å; G1171-T1248 PolarHBondContact O-N 3.41Å
1172	T	61.9	Low	58.6	Low	38.6 Å²	38.6	35.1 Å²	35.1	24%	0.237	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	126.5	174.4	-64.9	0	0	0	0	111.3	T289 G1095 T1096 V1097 Q1135 T1137 G1247 T1248 V1249	T289-T1172 HydrophobicContact CG2-CG2 4.49Å; T289-T1172 PolarHBondContact OG1-OG1 3.1Å; G1095-T1172 PolarHBondContact O-N 2.93Å; G1095-T1172 VanDerWaalsContact O-N 3.07Å; G1095-T1172 VanDerWaalsContact O-O 3.04Å; T1096-T1172 CarbonylContact C-O 3.55Å; T1096-T1172 VanDerWaalsContact CA-O 3.27Å; T1096-T1172 WeakPolarHBondContact CA-O 3.39Å; T1096-T1172 PolarHBondContact OG1-O 3.23Å; V1097-T1172 PolarHBondContact N-O 3.04Å; Q1135-T1172 HydrophobicContact CG-CG2 4.17Å; Q1135-T1172 PolarHBondContact NE2-OG1 2.73Å; T1137-T1172 WeakPolarHBondContact OG1-CA 3.33Å; T1137-T1172 PolarHBondContact OG1-N 2.82Å; T1137-T1172 VanDerWaalsContact OG1-N 3.17Å; T1172-G1247 PolarHBondContact N-O 3Å; T1172-T1248 CarbonylContact C-O 3.59Å; T1172-T1248 VanDerWaalsContact CA-O 3.29Å; T1172-T1248 WeakPolarHBondContact CA-O 3.34Å; T1172-T1248 WeakPolarHBondContact O-CA 3.5Å; T1172-V1249 PolarHBondContact O-N 3.1Å
1173	V	61.8	Low	57.9	Low	28.2 Å²	28.2	35 Å²	35	17%	0.171	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	134.3	-176.7	178.3	0	0	0	0	109.7	Q1059 V1060 T1061 T1096 V1097 H1098 S1102 Q1135 A1136 C1175 T1248 V1249 H1250	Q1059-V1173 CarbonylContact O-C 3.2Å; Q1059-V1173 VanDerWaalsContact O-CA 3.23Å; Q1059-V1173 WeakPolarHBondContact O-CA 3.31Å; V1060-V1173 HydrophobicContact CB-CG1 4.06Å; V1060-V1173 HydrophobicContact CG1-CB 4.45Å; V1060-V1173 HydrophobicContact CG1-CG1 3.32Å; V1060-V1173 WeakPolarHBondContact O-CG2 3.06Å; T1061-V1173 VanDerWaalsContact OG1-CG2 3.22Å; T1061-V1173 WeakPolarHBondContact OG1-CG2 3.29Å; T1096-V1173 PolarHBondContact O-N 3.19Å; V1097-V1173 WeakPolarHBondContact CA-O 3.02Å; V1097-V1173 HydrophobicContact CB-CG1 4.49Å; V1097-V1173 HydrophobicContact CB-CG2 4.38Å; V1097-V1173 HydrophobicContact CG2-CB 4.48Å; V1097-V1173 CarbonylContact O-C 3.53Å; V1097-V1173 WeakPolarHBondContact O-CA 3.45Å; H1098-V1173 PolarHBondContact N-O 3.17Å; S1102-V1173 WeakPolarHBondContact OG-CG1 3.32Å; Q1135-V1173 CarbonylContact C-O 3.31Å; A1136-V1173 VanDerWaalsContact C-CB 3.47Å; A1136-V1173 HydrophobicContact CB-CB 4.44Å; A1136-V1173 HydrophobicContact CB-CG1 4.09Å; A1136-V1173 PolarHBondContact N-O 2.88Å; A1136-V1173 CarbonylContact O-C 2.94Å; A1136-V1173 WeakPolarHBondContact O-CA 3.11Å; A1136-V1173 VanDerWaalsContact O-CB 3.27Å; A1136-V1173 WeakPolarHBondContact O-CB 3.17Å; A1136-V1173 PolarHBondContact O-N 2.81Å; V1173-C1175 HydrophobicContact CG1-CB 4.48Å; V1173-T1248 PolarHBondContact N-O 3.21Å; V1173-V1249 CarbonylContact O-C 3.59Å; V1173-V1249 WeakPolarHBondContact O-CA 3.25Å; V1173-H1250 PolarHBondContact O-N 3.03Å
1174	H	61.4	Low	57.2	Low	49.6 Å²	49.6	36.7 Å²	36.7	23%	0.23	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	105.6	174.9	-159	-92.7	0	0	0	110.8	L1058 Q1059 V1060 V1097 H1098 C1099 L1134 A1136 V1249 H1250 C1251	L1058-H1174 HydrophobicContact CB-CB 4.26Å; L1058-H1174 HydrophobicContact CD2-CB 4.41Å; L1058-H1174 WeakPolarHBondContact CD2-ND1 3.17Å; L1058-H1174 HydrophobicContact CG-CB 4.1Å; Q1059-H1174 PolarHBondContact O-N 3Å; V1060-H1174 WeakPolarHBondContact CG1-O 3.44Å; V1060-H1174 WeakPolarHBondContact CG2-O 3.34Å; V1097-H1174 PolarHBondContact O-N 3.1Å; H1098-H1174 CarbonylContact C-O 3.47Å; H1098-H1174 WeakPolarHBondContact CA-O 3.34Å; H1098-H1174 WeakPolarHBondContact CB-CE1 3.3Å; H1098-H1174 AromaticContact CD2-CE1 3.38Å; H1098-H1174 PolarHBondContact CD2-CE1 2.83Å; H1098-H1174 AromaticContact CD2-CG 3.83Å; H1098-H1174 AromaticContact CD2-ND1 3.26Å; H1098-H1174 PolarHBondContact CD2-ND1 3.07Å; H1098-H1174 VanDerWaalsContact CD2-ND1 3.34Å; H1098-H1174 AromaticContact CD2-NE2 3.26Å; H1098-H1174 PolarHBondContact CD2-NE2 3.37Å; H1098-H1174 VanDerWaalsContact CD2-NE2 3.26Å; H1098-H1174 AromaticContact CG-CE1 3.28Å; H1098-H1174 AromaticContact CG-ND1 3.93Å; H1098-H1174 AromaticContact CG-NE2 3.53Å; H1098-H1174 AromaticContact ND1-CE1 3.85Å; H1098-H1174 AromaticContact NE2-CE1 3.76Å; H1098-H1174 AromaticContact NE2-ND1 3.05Å; H1098-H1174 PolarHBondContact NE2-ND1 3.04Å; C1099-H1174 PolarHBondContact N-O 3.29Å; C1099-H1174 VanDerWaalsContact N-O 3.16Å; L1134-H1174 VanDerWaalsContact CB-CD2 3.44Å; L1134-H1174 WeakPolarHBondContact CB-CD2 3.37Å; L1134-H1174 WeakPolarHBondContact CB-NE2 3.23Å; L1134-H1174 WeakPolarHBondContact CD1-NE2 3.32Å; A1136-H1174 VanDerWaalsContact CB-CA 3.43Å; H1174-V1249 PolarHBondContact N-O 3.37Å; H1174-H1250 CarbonylContact C-O 3.52Å; H1174-H1250 WeakPolarHBondContact CA-O 3.35Å; H1174-H1250 WeakPolarHBondContact CB-CE1 3.44Å; H1174-H1250 VanDerWaalsContact CB-ND1 3.33Å; H1174-H1250 WeakPolarHBondContact CB-ND1 3.46Å; H1174-H1250 WeakPolarHBondContact CB-NE2 3.46Å; H1174-H1250 AromaticContact CD2-CG 3.73Å; H1174-H1250 AromaticContact CD2-ND1 3.23Å; H1174-H1250 PolarHBondContact CD2-ND1 3.34Å; H1174-H1250 VanDerWaalsContact CD2-ND1 3.26Å; H1174-H1250 AromaticContact CD2-NE2 3.85Å; H1174-H1250 PolarHBondContact CE1-O 3.46Å; H1174-H1250 AromaticContact CG-CE1 3.46Å; H1174-H1250 VanDerWaalsContact CG-CE1 3.46Å; H1174-H1250 AromaticContact CG-NE2 3.54Å; H1174-H1250 AromaticContact ND1-CE1 3.64Å; H1174-H1250 PolarHBondContact ND1-O 3.28Å; H1174-H1250 AromaticContact NE2-CE1 3.75Å; H1174-H1250 AromaticContact NE2-ND1 3.15Å; H1174-H1250 PolarHBondContact NE2-ND1 3.1Å; H1174-H1250 VanDerWaalsContact NE2-ND1 3.15Å; H1174-H1250 CarbonylContact O-C 3.56Å; H1174-H1250 WeakPolarHBondContact O-CA 3.49Å; H1174-C1251 PolarHBondContact O-N 2.79Å; H1174-C1251 PolarHBondContact O-SG 2.72Å
1175	C	60.9	Low	55.9	Low	18 Å²	18	38.1 Å²	38.1	12%	0.122	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	156.2	176.4	73.7	0	0	0	0	115.4	V1060 H1098 C1099 A1100 Q1101 S1102 A1136 V1173 Q1177 S1178 H1250 C1251 A1252	V1060-C1175 HydrophobicContact CG1-CB 3.93Å; H1098-C1175 WeakPolarHBondContact O-CB 3.14Å; C1099-C1175 VanDerWaalsContact CA-CB 3.42Å; C1099-C1175 HydrophobicContact CB-CB 4.41Å; C1099-C1175 CarbonylContact O-C 3.49Å; C1099-C1175 WeakPolarHBondContact O-CA 3.47Å; C1099-C1175 WeakPolarHBondContact O-CB 3.24Å; A1100-C1175 VanDerWaalsContact N-CB 3.26Å; Q1101-C1175 WeakPolarHBondContact O-CA 3.16Å; Q1101-C1175 WeakPolarHBondContact O-CB 3.25Å; S1102-C1175 PolarHBondContact OG-SG 3.42Å; A1136-C1175 HydrophobicContact CB-CB 4.02Å; A1136-C1175 VanDerWaalsContact CB-SG 3.51Å; V1173-C1175 HydrophobicContact CG1-CB 4.48Å; C1175-Q1177 VanDerWaalsContact C-CB 3.42Å; C1175-Q1177 WeakPolarHBondContact CB-O 3.46Å; C1175-Q1177 VanDerWaalsContact SG-C 3.54Å; C1175-Q1177 PolarHBondContact SG-O 3.24Å; C1175-S1178 VanDerWaalsContact SG-CB 3.58Å; C1175-S1178 PolarHBondContact SG-OG 2.77Å; C1175-H1250 PolarHBondContact N-O 2.86Å; C1175-H1250 VanDerWaalsContact N-O 3.15Å; C1175-C1251 CarbonylContact O-C 3.46Å; C1175-C1251 VanDerWaalsContact O-CA 3.3Å; C1175-C1251 WeakPolarHBondContact O-CA 3.32Å; C1175-C1251 VanDerWaalsContact O-CB 3.29Å; C1175-C1251 WeakPolarHBondContact O-CB 3.23Å; C1175-C1251 PolarHBondContact O-SG 2.84Å; C1175-C1251 VanDerWaalsContact O-SG 3.4Å; C1175-A1252 PolarHBondContact O-N 3.04Å
1176	A	55	Low	54.5	Low	33.8 Å²	33.8	38.2 Å²	38.2	28%	0.279	22%	0.217	S	C	.	.	S	Bend	trans	-89.9	6.4	178.5	0	0	0	0	0	111.2	C1099 A1100 Q1101 G1119 L1120 A1252 Q1253	C1099-A1176 PolarHBondContact O-N 3.02Å; A1100-A1176 CarbonylContact C-O 3.59Å; A1100-A1176 WeakPolarHBondContact CA-O 3.3Å; A1100-A1176 HydrophobicContact CB-CB 3.85Å; A1100-A1176 CarbonylContact O-C 3.02Å; A1100-A1176 VanDerWaalsContact O-C 3.29Å; A1100-A1176 WeakPolarHBondContact O-CA 3.45Å; A1100-A1176 VanDerWaalsContact O-CB 3.32Å; A1100-A1176 WeakPolarHBondContact O-CB 3.3Å; A1100-A1176 PolarHBondContact O-N 2.95Å; Q1101-A1176 PolarHBondContact N-O 2.92Å; Q1101-A1176 PolarHBondContact OE1-O 2.74Å; G1119-A1176 WeakPolarHBondContact CA-O 3.12Å; L1120-A1176 HydrophobicContact CB-CB 3.87Å; A1176-A1252 CarbonylContact C-O 3.25Å; A1176-A1252 VanDerWaalsContact C-O 3.26Å; A1176-A1252 WeakPolarHBondContact CA-O 3.08Å; A1176-A1252 HydrophobicContact CB-CB 4.02Å; A1176-A1252 VanDerWaalsContact CB-O 3.3Å; A1176-A1252 WeakPolarHBondContact CB-O 3.15Å; A1176-A1252 WeakPolarHBondContact O-CA 3.34Å; A1176-A1252 WeakPolarHBondContact O-CB 2.94Å; A1176-A1252 PolarHBondContact O-N 2.81Å; A1176-Q1253 CarbonylContact C-O 3.44Å; A1176-Q1253 PolarHBondContact O-N 3Å; A1176-Q1253 VanDerWaalsContact O-O 3.12Å
1177	Q	53.7	Low	53.3	Low	43.4 Å²	43.4	37.9 Å²	37.9	20%	0.203	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	134.5	-175.2	-78.8	168.1	-40.6	0	0	110.1	S1043 A1100 Q1101 S1102 V1118 C1175 V1249 A1252 Q1253 S1254 C1327	S1043-Q1177 PolarHBondContact O-NE2 2.8Å; A1100-Q1177 WeakPolarHBondContact O-CB 3.37Å; A1100-Q1177 WeakPolarHBondContact O-CG 3.12Å; A1100-Q1177 PolarHBondContact O-N 3.23Å; A1100-Q1177 VanDerWaalsContact O-N 3.17Å; Q1101-Q1177 CarbonylContact C-O 3.09Å; Q1101-Q1177 WeakPolarHBondContact CA-O 3.09Å; Q1101-Q1177 VanDerWaalsContact CA-OE1 3.32Å; Q1101-Q1177 HydrophobicContact CB-CG 4.47Å; Q1101-Q1177 VanDerWaalsContact CB-N 3.29Å; Q1101-Q1177 WeakPolarHBondContact CB-O 3.16Å; Q1101-Q1177 HydrophobicContact CG-CB 4.42Å; Q1101-Q1177 WeakPolarHBondContact O-CA 3.36Å; Q1101-Q1177 VanDerWaalsContact OE1-N 3.08Å; S1102-Q1177 WeakPolarHBondContact CB-O 2.93Å; S1102-Q1177 PolarHBondContact N-O 2.86Å; S1102-Q1177 VanDerWaalsContact N-O 3.17Å; S1102-Q1177 VanDerWaalsContact N-OE1 3.16Å; S1102-Q1177 PolarHBondContact OG-O 3.41Å; V1118-Q1177 HydrophobicContact CG2-CG 3.93Å; V1118-Q1177 WeakPolarHBondContact O-CG 3.14Å; V1118-Q1177 PolarHBondContact O-NE2 3.12Å; C1175-Q1177 VanDerWaalsContact C-CB 3.42Å; C1175-Q1177 WeakPolarHBondContact CB-O 3.46Å; C1175-Q1177 VanDerWaalsContact SG-C 3.54Å; C1175-Q1177 PolarHBondContact SG-O 3.24Å; Q1177-V1249 HydrophobicContact CG-CG1 3.94Å; Q1177-V1249 VanDerWaalsContact NE2-CG1 3.32Å; Q1177-A1252 PolarHBondContact N-O 2.84Å; Q1177-A1252 VanDerWaalsContact OE1-N 3.16Å; Q1177-Q1253 WeakPolarHBondContact CA-O 3.08Å; Q1177-Q1253 HydrophobicContact CB-CG 4.45Å; Q1177-Q1253 HydrophobicContact CG-CB 4.48Å; Q1177-Q1253 PolarHBondContact N-O 2.74Å; Q1177-Q1253 PolarHBondContact NE2-O 3.08Å; Q1177-Q1253 WeakPolarHBondContact O-CA 3.4Å; Q1177-Q1253 VanDerWaalsContact OE1-C 3.28Å; Q1177-Q1253 PolarHBondContact OE1-O 2.81Å; Q1177-S1254 VanDerWaalsContact CD-OG 3.25Å; Q1177-S1254 PolarHBondContact O-N 3.1Å; Q1177-S1254 PolarHBondContact OE1-OG 3.46Å; Q1177-S1254 VanDerWaalsContact OE1-OG 3.07Å; Q1177-C1327 PolarHBondContact NE2-SG 2.7Å
1178	S	48	Very low	51.9	Low	29.4 Å²	29.4	39.2 Å²	39.2	21%	0.206	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	131.4	175.8	43.6	0	0	0	0	112.1	Q1101 S1102 V1103 T1137 M1138 C1175 V1249 C1251 Q1253 S1254 V1255	Q1101-S1178 PolarHBondContact O-N 2.8Å; S1102-S1178 WeakPolarHBondContact CA-O 3.31Å; S1102-S1178 WeakPolarHBondContact CB-OG 3.36Å; S1102-S1178 VanDerWaalsContact O-CB 3.31Å; S1102-S1178 WeakPolarHBondContact O-CB 3.49Å; V1103-S1178 PolarHBondContact N-O 3.14Å; T1137-S1178 WeakPolarHBondContact O-CB 3.42Å; T1137-S1178 PolarHBondContact O-OG 3.27Å; M1138-S1178 VanDerWaalsContact SD-CA 3.58Å; C1175-S1178 VanDerWaalsContact SG-CB 3.58Å; C1175-S1178 PolarHBondContact SG-OG 2.77Å; S1178-V1249 VanDerWaalsContact CB-CG1 3.47Å; S1178-V1249 WeakPolarHBondContact OG-CG1 2.73Å; S1178-C1251 PolarHBondContact OG-SG 3.22Å; S1178-Q1253 PolarHBondContact N-O 2.74Å; S1178-Q1253 PolarHBondContact OG-O 3.15Å; S1178-S1254 WeakPolarHBondContact CA-O 3.47Å; S1178-S1254 WeakPolarHBondContact CB-OG 3.34Å; S1178-S1254 PolarHBondContact N-OG 2.82Å; S1178-S1254 VanDerWaalsContact O-CB 3.29Å; S1178-S1254 WeakPolarHBondContact O-CB 3.05Å; S1178-S1254 PolarHBondContact O-OG 3.42Å; S1178-V1255 PolarHBondContact O-N 3.08Å; S1178-V1255 VanDerWaalsContact O-N 3.15Å
1179	V	53.2	Low	50.8	Low	36.6 Å²	36.6	39.4 Å²	39.4	22%	0.222	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	124.6	167.3	174.3	0	0	0	0	107.8	S1102 V1103 Q1104 F1113 T1115 M1138 R1139 Q1140 T1181 F1189 M1214 V1249 S1254 V1255 Q1256	S1102-V1179 PolarHBondContact O-N 3.42Å; S1102-V1179 VanDerWaalsContact O-N 3.15Å; V1103-V1179 WeakPolarHBondContact CA-O 3.28Å; V1103-V1179 WeakPolarHBondContact O-CA 3.46Å; Q1104-V1179 PolarHBondContact N-O 3.27Å; F1113-V1179 HydrophobicContact CE1-CB 3.99Å; F1113-V1179 HydrophobicContact CE1-CG2 3.95Å; F1113-V1179 HydrophobicContact CE2-CG1 4.45Å; F1113-V1179 HydrophobicContact CZ-CB 3.76Å; F1113-V1179 HydrophobicContact CZ-CG1 3.8Å; F1113-V1179 HydrophobicContact CZ-CG2 3.86Å; T1115-V1179 HydrophobicContact CG2-CG2 4.41Å; M1138-V1179 HydrophobicContact CE-CB 4Å; M1138-V1179 HydrophobicContact CE-CG2 4.25Å; M1138-V1179 VanDerWaalsContact CE-O 3.22Å; M1138-V1179 WeakPolarHBondContact CE-O 3.45Å; M1138-V1179 WeakPolarHBondContact CG-O 3.24Å; M1138-V1179 PolarHBondContact SD-N 3.24Å; R1139-V1179 VanDerWaalsContact O-O 3.12Å; Q1140-V1179 PolarHBondContact OE1-O 3.48Å; V1179-T1181 VanDerWaalsContact CG1-OG1 3.28Å; V1179-T1181 WeakPolarHBondContact CG1-OG1 3.06Å; V1179-F1189 HydrophobicContact CG1-CD1 4.48Å; V1179-F1189 HydrophobicContact CG1-CE1 3.93Å; V1179-F1189 HydrophobicContact CG1-CZ 4.03Å; V1179-F1189 HydrophobicContact CG2-CE1 4.39Å; V1179-M1214 HydrophobicContact CG1-CE 3.73Å; V1179-M1214 HydrophobicContact CG1-SD 4.41Å; V1179-V1249 HydrophobicContact CB-CG1 4.43Å; V1179-V1249 HydrophobicContact CG1-CG1 4.24Å; V1179-V1249 HydrophobicContact CG1-CG2 4.19Å; V1179-S1254 VanDerWaalsContact CG2-C 3.41Å; V1179-S1254 PolarHBondContact N-O 2.76Å; V1179-V1255 VanDerWaalsContact CG2-C 3.41Å; V1179-V1255 HydrophobicContact CG2-CB 3.9Å; V1179-V1255 HydrophobicContact CG2-CG2 4.19Å; V1179-V1255 WeakPolarHBondContact CG2-O 3.49Å; V1179-Q1256 HydrophobicContact CB-CB 4.2Å; V1179-Q1256 HydrophobicContact CG1-CB 3.63Å; V1179-Q1256 HydrophobicContact CG1-CG 3.89Å; V1179-Q1256 HydrophobicContact CG2-CB 3.65Å; V1179-Q1256 PolarHBondContact O-N 2.77Å
1180	Q	46.6	Very low	49.9	Very low	38.6 Å²	38.6	41.2 Å²	41.2	18%	0.18	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	111	-177.7	-160.5	-152.7	5.5	0	0	111.9	V1103 Q1104 T1105 T1137 M1138 R1139 I1182 M1214 R1215 G1247 T1248 V1255 Q1256 T1257	V1103-Q1180 HydrophobicContact CG1-CB 3.86Å; V1103-Q1180 PolarHBondContact O-N 2.93Å; Q1104-Q1180 WeakPolarHBondContact CA-O 3.37Å; Q1104-Q1180 HydrophobicContact CB-CG 3.96Å; Q1104-Q1180 HydrophobicContact CG-CG 3.74Å; Q1104-Q1180 VanDerWaalsContact NE2-NE2 3.18Å; Q1104-Q1180 VanDerWaalsContact OE1-NE2 3.1Å; T1105-Q1180 PolarHBondContact N-O 3.44Å; T1105-Q1180 VanDerWaalsContact N-O 3.09Å; T1105-Q1180 PolarHBondContact OG1-OE1 2.87Å; T1137-Q1180 VanDerWaalsContact CB-OE1 3.28Å; T1137-Q1180 VanDerWaalsContact CG2-CD 3.47Å; T1137-Q1180 HydrophobicContact CG2-CG 3.71Å; T1137-Q1180 VanDerWaalsContact CG2-OE1 3.26Å; M1138-Q1180 VanDerWaalsContact CA-CG 3.47Å; R1139-Q1180 CarbonylContact O-C 3.07Å; Q1180-I1182 HydrophobicContact CG-CG1 4.34Å; Q1180-M1214 HydrophobicContact CB-CB 3.65Å; Q1180-M1214 HydrophobicContact CB-CG 3.69Å; Q1180-M1214 HydrophobicContact CB-SD 3.61Å; Q1180-M1214 PolarHBondContact N-SD 2.6Å; Q1180-M1214 PolarHBondContact NE2-O 3.4Å; Q1180-M1214 PolarHBondContact OE1-O 2.85Å; Q1180-M1214 VanDerWaalsContact OE1-O 3.06Å; Q1180-R1215 VanDerWaalsContact NE2-CD 3.32Å; Q1180-R1215 VanDerWaalsContact NE2-CG 3.33Å; Q1180-R1215 CarbonylContact O-C 3.47Å; Q1180-R1215 WeakPolarHBondContact O-CA 3.12Å; Q1180-G1247 VanDerWaalsContact OE1-CA 3.32Å; Q1180-T1248 PolarHBondContact OE1-O 2.93Å; Q1180-V1255 PolarHBondContact N-O 2.64Å; Q1180-Q1256 WeakPolarHBondContact CA-O 3.48Å; Q1180-Q1256 HydrophobicContact CG-CB 4.49Å; Q1180-Q1256 VanDerWaalsContact N-OE1 3.15Å; Q1180-Q1256 PolarHBondContact O-OE1 2.89Å; Q1180-T1257 PolarHBondContact O-N 2.77Å; Q1180-T1257 VanDerWaalsContact O-N 3.14Å
1181	T	44	Very low	49.3	Very low	19.6 Å²	19.6	40.5 Å²	40.5	12%	0.12	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	146.3	-175.6	-41.5	0	0	0	0	110.9	Q1104 T1105 R1139 Q1140 V1179 P1183 E1184 M1214 R1215 Q1216 Q1256 T1257 I1258	Q1104-T1181 PolarHBondContact O-N 2.99Å; Q1104-T1181 VanDerWaalsContact O-O 3.13Å; T1105-T1181 WeakPolarHBondContact CA-O 2.97Å; T1105-T1181 WeakPolarHBondContact O-CA 3.44Å; R1139-T1181 CarbonylContact C-O 3.04Å; R1139-T1181 WeakPolarHBondContact CB-O 3.09Å; R1139-T1181 PolarHBondContact O-N 2.83Å; R1139-T1181 VanDerWaalsContact O-N 3.08Å; Q1140-T1181 WeakPolarHBondContact CG-OG1 3.2Å; Q1140-T1181 PolarHBondContact NE2-OG1 3.42Å; V1179-T1181 VanDerWaalsContact CG1-OG1 3.28Å; V1179-T1181 WeakPolarHBondContact CG1-OG1 3.06Å; T1181-P1183 HydrophobicContact CG2-CG 4.27Å; T1181-P1183 VanDerWaalsContact OG1-CB 3.31Å; T1181-P1183 WeakPolarHBondContact OG1-CB 3.29Å; T1181-P1183 WeakPolarHBondContact OG1-CG 3.26Å; T1181-E1184 VanDerWaalsContact CG2-OE1 3.31Å; T1181-E1184 WeakPolarHBondContact CG2-OE1 3.14Å; T1181-E1184 WeakPolarHBondContact CG2-OE2 3.45Å; T1181-E1184 PolarHBondContact OG1-OE2 3.43Å; T1181-M1214 HydrophobicContact CG2-CE 3.69Å; T1181-R1215 WeakPolarHBondContact CA-O 3.3Å; T1181-Q1216 HydrophobicContact CG2-CB 3.73Å; T1181-Q1216 HydrophobicContact CG2-CG 4.27Å; T1181-Q1256 PolarHBondContact N-O 2.69Å; T1181-Q1256 VanDerWaalsContact N-O 3.09Å; T1181-Q1256 VanDerWaalsContact OG1-CD 3.28Å; T1181-Q1256 PolarHBondContact OG1-OE1 3.05Å; T1181-T1257 WeakPolarHBondContact CA-O 3.34Å; T1181-T1257 WeakPolarHBondContact CB-O 3.35Å; T1181-T1257 WeakPolarHBondContact CG2-O 3.24Å; T1181-T1257 WeakPolarHBondContact O-CA 3.5Å; T1181-T1257 PolarHBondContact OG1-O 2.88Å; T1181-I1258 HydrophobicContact CG2-CB 4.19Å; T1181-I1258 HydrophobicContact CG2-CG1 3.74Å; T1181-I1258 PolarHBondContact O-N 3.14Å; T1181-I1258 VanDerWaalsContact O-N 3.12Å
1182	I	43.5	Very low	48.6	Very low	54.6 Å²	54.6	42.8 Å²	42.8	28%	0.28	23%	0.234	S	C	.	.			trans	-116.7	118	170.3	-41.6	173.3	0	0	0	107.1	T1105 I1106 P1107 R1139 Q1180 Q1216 S1217 V1243 P1259	T1105-I1182 HydrophobicContact CG2-CD1 3.83Å; T1105-I1182 HydrophobicContact CG2-CG1 3.8Å; T1105-I1182 PolarHBondContact O-N 3.41Å; I1106-I1182 HydrophobicContact CB-CD1 4.39Å; I1106-I1182 HydrophobicContact CB-CG2 3.98Å; I1106-I1182 HydrophobicContact CD1-CD1 4.41Å; I1106-I1182 HydrophobicContact CG1-CD1 4.48Å; I1106-I1182 HydrophobicContact CG1-CG2 4.19Å; P1107-I1182 WeakPolarHBondContact CD-O 3.46Å; P1107-I1182 HydrophobicContact CG-CG2 4.27Å; R1139-I1182 HydrophobicContact CB-CG2 4.46Å; Q1180-I1182 HydrophobicContact CG-CG1 4.34Å; I1182-Q1216 WeakPolarHBondContact CG1-O 2.89Å; I1182-Q1216 PolarHBondContact N-O 3.4Å; I1182-S1217 WeakPolarHBondContact O-CA 3.03Å; I1182-S1217 PolarHBondContact O-N 2.84Å; I1182-V1243 HydrophobicContact CD1-CG1 4.18Å; I1182-P1259 WeakPolarHBondContact O-CB 3.2Å; I1182-P1259 VanDerWaalsContact O-CD 3.28Å; I1182-P1259 WeakPolarHBondContact O-CD 3.34Å
1183	P	43.2	Very low	47.8	Very low	31 Å²	31	44 Å²	44	20%	0.201	24%	0.239	C	C	.	.			trans	-95.3	155	-164	22.9	-13.1	0	0	0	113.5	T1105 I1106 P1107 E1108 Q1140 T1181 E1185 I1258 P1259 E1260	T1105-P1183 HydrophobicContact CG2-CB 4.05Å; T1105-P1183 HydrophobicContact CG2-CG 3.9Å; I1106-P1183 HydrophobicContact CG1-CG 4.32Å; I1106-P1183 HydrophobicContact CG2-CG 4.44Å; I1106-P1183 WeakPolarHBondContact O-CD 3.21Å; I1106-P1183 WeakPolarHBondContact O-CG 3.41Å; P1107-P1183 HydrophobicContact CG-CB 4.02Å; P1107-P1183 WeakPolarHBondContact O-CD 3.04Å; E1108-P1183 HydrophobicContact CB-CB 4.24Å; E1108-P1183 HydrophobicContact CB-CG 3.81Å; E1108-P1183 HydrophobicContact CG-CB 3.87Å; E1108-P1183 HydrophobicContact CG-CG 3.94Å; E1108-P1183 WeakPolarHBondContact OE2-CG 3.3Å; Q1140-P1183 HydrophobicContact CB-CG 4.28Å; Q1140-P1183 HydrophobicContact CG-CB 4.15Å; Q1140-P1183 HydrophobicContact CG-CG 3.71Å; T1181-P1183 HydrophobicContact CG2-CG 4.27Å; T1181-P1183 VanDerWaalsContact OG1-CB 3.31Å; T1181-P1183 WeakPolarHBondContact OG1-CB 3.29Å; T1181-P1183 WeakPolarHBondContact OG1-CG 3.26Å; P1183-E1185 HydrophobicContact CB-CG 4.36Å; P1183-E1185 PolarHBondContact O-N 2.94Å; P1183-I1258 WeakPolarHBondContact CD-O 3.48Å; P1183-P1259 VanDerWaalsContact C-CB 3.44Å; P1183-P1259 HydrophobicContact CG-CB 4Å; P1183-P1259 WeakPolarHBondContact O-CB 3.07Å; P1183-E1260 PolarHBondContact O-N 3.39Å
1184	E	40.1	Very low	47.2	Very low	60.2 Å²	60.2	44 Å²	44	28%	0.281	24%	0.239	S	C	.	.			trans	-89	137.9	-179.1	-160.7	164.1	-174.2	0	0	112.2	P1107 E1109 F1113 Q1140 T1181 Q1186 F1189 Q1216 P1259 E1260 R1262	P1107-E1184 PolarHBondContact O-N 3.09Å; E1109-E1184 PolarHBondContact N-O 3.11Å; F1113-E1184 HydrophobicContact CE2-CG 4.42Å; Q1140-E1184 PolarHBondContact NE2-OE2 2.91Å; T1181-E1184 VanDerWaalsContact CG2-OE1 3.31Å; T1181-E1184 WeakPolarHBondContact CG2-OE1 3.14Å; T1181-E1184 WeakPolarHBondContact CG2-OE2 3.45Å; T1181-E1184 PolarHBondContact OG1-OE2 3.43Å; E1184-Q1186 HydrophobicContact CB-CG 4.09Å; E1184-Q1186 HydrophobicContact CG-CG 3.99Å; E1184-Q1186 VanDerWaalsContact OE1-CG 3.22Å; E1184-Q1186 WeakPolarHBondContact OE1-CG 3.02Å; E1184-Q1186 PolarHBondContact OE1-NE2 3.15Å; E1184-Q1186 PolarHBondContact OE2-NE2 3.16Å; E1184-F1189 HydrophobicContact CG-CD2 4.23Å; E1184-Q1216 PolarHBondContact O-NE2 3.41Å; E1184-Q1216 PolarHBondContact OE1-NE2 2.84Å; E1184-P1259 WeakPolarHBondContact O-CG 3.29Å; E1184-E1260 WeakPolarHBondContact CG-O 3.15Å; E1184-R1262 WeakPolarHBondContact OE1-CD 3.38Å; E1184-R1262 WeakPolarHBondContact OE1-CG 3.02Å; E1184-R1262 IonicContact OE1-CZ 3.07Å; E1184-R1262 IonicContact OE1-NE 3.29Å; E1184-R1262 PolarHBondContact OE1-NE 2.9Å; E1184-R1262 IonicContact OE1-NH1 2.74Å; E1184-R1262 PolarHBondContact OE1-NH1 3.09Å; E1184-R1262 IonicContact OE1-NH2 3.12Å; E1184-R1262 PolarHBondContact OE1-NH2 3.08Å; E1184-R1262 IonicContact OE2-NH1 2.74Å; E1184-R1262 PolarHBondContact OE2-NH1 3.21Å; E1184-R1262 IonicContact OE2-NH2 3.64Å
1185	E	37.4	Very low	46.6	Very low	73.6 Å²	73.6	42.9 Å²	42.9	34%	0.344	24%	0.241	S	C	.	.			trans	-99.6	131.1	165.5	-140	-163.9	-151.3	0	0	111.3	Q1110 N1144 P1183 P1187 E1260 E1261 R1262	Q1110-E1185 WeakPolarHBondContact CG-O 3.49Å; Q1110-E1185 PolarHBondContact NE2-O 3.23Å; N1144-E1185 PolarHBondContact ND2-OE2 3.17Å; P1183-E1185 HydrophobicContact CB-CG 4.36Å; P1183-E1185 PolarHBondContact O-N 2.94Å; E1185-P1187 VanDerWaalsContact C-CD 3.42Å; E1185-P1187 WeakPolarHBondContact O-CD 3.46Å; E1185-P1187 WeakPolarHBondContact OE2-CD 3.02Å; E1185-E1260 PolarHBondContact N-O 3.23Å; E1185-E1261 WeakPolarHBondContact OE1-CA 3.43Å; E1185-E1261 PolarHBondContact OE1-N 2.65Å; E1185-R1262 HydrophobicContact CB-CG 4.47Å; E1185-R1262 WeakPolarHBondContact O-CD 3.12Å; E1185-R1262 VanDerWaalsContact O-CG 3.25Å; E1185-R1262 WeakPolarHBondContact O-CG 3.23Å; E1185-R1262 PolarHBondContact O-N 2.69Å; E1185-R1262 WeakPolarHBondContact OE1-CB 3.33Å; E1185-R1262 WeakPolarHBondContact OE1-CG 3.44Å; E1185-R1262 PolarHBondContact OE1-N 3.24Å; E1185-R1262 WeakPolarHBondContact OE2-CB 3.08Å
1186	Q	43	Very low	46.2	Very low	59 Å²	59	43.5 Å²	43.5	28%	0.276	24%	0.243	S	C	.	.			trans	-116.1	121.2	-178.2	-77.2	-147.1	41.2	0	0	112.8	E1108 E1109 Q1110 P1111 V1112 H1114 D1165 E1184 V1188 F1189 R1262	E1108-Q1186 VanDerWaalsContact OE1-CD 3.29Å; E1108-Q1186 PolarHBondContact OE1-NE2 3.12Å; E1109-Q1186 PolarHBondContact O-N 3.49Å; Q1110-Q1186 HydrophobicContact CG-CB 4.29Å; P1111-Q1186 HydrophobicContact CB-CB 4.33Å; P1111-Q1186 WeakPolarHBondContact CD-O 3.39Å; P1111-Q1186 HydrophobicContact CG-CB 4.32Å; V1112-Q1186 PolarHBondContact O-OE1 3.47Å; V1112-Q1186 VanDerWaalsContact O-OE1 3.12Å; H1114-Q1186 PolarHBondContact ND1-OE1 3.28Å; D1165-Q1186 PolarHBondContact OD2-NE2 2.9Å; E1184-Q1186 HydrophobicContact CB-CG 4.09Å; E1184-Q1186 HydrophobicContact CG-CG 3.99Å; E1184-Q1186 VanDerWaalsContact OE1-CG 3.22Å; E1184-Q1186 WeakPolarHBondContact OE1-CG 3.02Å; E1184-Q1186 PolarHBondContact OE1-NE2 3.15Å; E1184-Q1186 PolarHBondContact OE2-NE2 3.16Å; Q1186-V1188 PolarHBondContact O-N 3.18Å; Q1186-F1189 HydrophobicContact CG-CB 4.22Å; Q1186-R1262 HydrophobicContact CG-CB 4.37Å
1187	P	41.6	Very low	46	Very low	34 Å²	34	45.3 Å²	45.3	22%	0.221	25%	0.248	C	C	.	.			trans	-76.4	136.3	165.4	9.1	-9.4	0	0	0	114.3	Q1110 P1111 E1185 F1189 R1262 P1263 V1264 S1298	Q1110-P1187 VanDerWaalsContact OE1-CG 3.29Å; P1111-P1187 HydrophobicContact CG-CB 3.8Å; P1111-P1187 WeakPolarHBondContact O-CA 3.49Å; E1185-P1187 VanDerWaalsContact C-CD 3.42Å; E1185-P1187 WeakPolarHBondContact O-CD 3.46Å; E1185-P1187 WeakPolarHBondContact OE2-CD 3.02Å; P1187-F1189 HydrophobicContact CB-CD2 4.38Å; P1187-F1189 HydrophobicContact CB-CE2 3.97Å; P1187-F1189 HydrophobicContact CB-CZ 4.11Å; P1187-F1189 HydrophobicContact CG-CE2 4.11Å; P1187-F1189 HydrophobicContact CG-CZ 4.5Å; P1187-F1189 WeakPolarHBondContact O-CD2 3.15Å; P1187-F1189 WeakPolarHBondContact O-CE2 3.23Å; P1187-F1189 PolarHBondContact O-N 3.03Å; P1187-R1262 VanDerWaalsContact CD-O 3.25Å; P1187-R1262 WeakPolarHBondContact CD-O 3.3Å; P1187-R1262 WeakPolarHBondContact CG-O 3.47Å; P1187-R1262 WeakPolarHBondContact O-CB 3.02Å; P1187-R1262 PolarHBondContact O-NH1 3.26Å; P1187-P1263 HydrophobicContact CG-CB 3.74Å; P1187-P1263 WeakPolarHBondContact O-CA 3.39Å; P1187-V1264 VanDerWaalsContact C-CG1 3.47Å; P1187-V1264 HydrophobicContact CB-CG1 3.85Å; P1187-V1264 HydrophobicContact CB-CG2 4.44Å; P1187-V1264 PolarHBondContact O-N 3.14Å; P1187-S1298 PolarHBondContact O-OG 3.21Å
1188	V	42.4	Very low	45.8	Very low	43.8 Å²	43.8	45.2 Å²	45.2	27%	0.265	25%	0.247	S	C	.	.			trans	-102.9	0	-173	175.4	0	0	0	0	111.4	P1111 V1112 F1113 H1114 Q1186 H1190 N1220 T1221 S1222 R1262 V1264 S1298 T1299	P1111-V1188 WeakPolarHBondContact O-CG1 3.4Å; P1111-V1188 PolarHBondContact O-N 2.81Å; V1112-V1188 HydrophobicContact CB-CG1 3.96Å; V1112-V1188 HydrophobicContact CG1-CB 4.38Å; V1112-V1188 HydrophobicContact CG1-CG1 4.47Å; V1112-V1188 HydrophobicContact CG2-CB 4.44Å; F1113-V1188 PolarHBondContact N-O 3.11Å; H1114-V1188 HydrophobicContact CB-CG1 4.4Å; Q1186-V1188 PolarHBondContact O-N 3.18Å; V1188-H1190 VanDerWaalsContact CG1-CE1 3.41Å; V1188-H1190 WeakPolarHBondContact CG1-CE1 3.49Å; V1188-H1190 PolarHBondContact O-N 2.77Å; V1188-N1220 CarbonylContact C-O 3.58Å; V1188-N1220 WeakPolarHBondContact CA-O 3.12Å; V1188-N1220 WeakPolarHBondContact CB-O 3.35Å; V1188-N1220 HydrophobicContact CG1-CB 3.59Å; V1188-N1220 WeakPolarHBondContact CG1-O 3.37Å; V1188-T1221 WeakPolarHBondContact O-CA 3.27Å; V1188-T1221 VanDerWaalsContact O-CB 3.29Å; V1188-T1221 WeakPolarHBondContact O-CB 3.49Å; V1188-T1221 PolarHBondContact O-OG1 3.26Å; V1188-S1222 PolarHBondContact O-N 3.47Å; V1188-R1262 VanDerWaalsContact C-NH1 3.33Å; V1188-R1262 PolarHBondContact O-NH1 2.68Å; V1188-V1264 HydrophobicContact CG1-CB 4.48Å; V1188-V1264 HydrophobicContact CG2-CB 4.44Å; V1188-V1264 WeakPolarHBondContact O-CG1 2.9Å; V1188-S1298 VanDerWaalsContact CA-OG 3.23Å; V1188-S1298 WeakPolarHBondContact CA-OG 3.35Å; V1188-S1298 PolarHBondContact N-OG 3.11Å; V1188-T1299 CarbonylContact C-O 3.58Å; V1188-T1299 VanDerWaalsContact C-O 3.27Å
1189	F	43.6	Very low	45.8	Very low	40.2 Å²	40.2	47 Å²	47	18%	0.176	26%	0.257	C	S	.	.				0	107	0	-79.1	-93.7	0	0	0	114.7	F1113 H1114 Q1140 V1142 V1179 E1184 Q1186 P1187 T1191 V1218 E1219 N1220 T1221 V1255 T1257 V1264 F1265 H1266 E1295 S1298 T1299	F1113-F1189 HydrophobicContact CB-CD1 4.08Å; F1113-F1189 HydrophobicContact CB-CE1 4.36Å; F1113-F1189 HydrophobicContact CD2-CB 4.15Å; F1113-F1189 AromaticContact CD2-CD1 3.58Å; F1113-F1189 HydrophobicContact CD2-CD1 3.58Å; F1113-F1189 AromaticContact CD2-CE1 3.41Å; F1113-F1189 HydrophobicContact CD2-CE1 3.41Å; F1113-F1189 HydrophobicContact CD2-CG 4.35Å; F1113-F1189 AromaticContact CD2-CZ 3.93Å; F1113-F1189 HydrophobicContact CD2-CZ 3.93Å; F1113-F1189 HydrophobicContact CE2-CB 3.33Å; F1113-F1189 AromaticContact CE2-CD1 3.9Å; F1113-F1189 HydrophobicContact CE2-CD1 4.21Å; F1113-F1189 AromaticContact CE2-CD2 3.92Å; F1113-F1189 HydrophobicContact CE2-CD2 3.92Å; F1113-F1189 AromaticContact CE2-CE1 3.74Å; F1113-F1189 HydrophobicContact CE2-CE1 3.74Å; F1113-F1189 AromaticContact CE2-CG 3.42Å; F1113-F1189 HydrophobicContact CE2-CG 3.42Å; F1113-F1189 VanDerWaalsContact CE2-CG 3.42Å; F1113-F1189 AromaticContact CE2-CZ 3.99Å; F1113-F1189 HydrophobicContact CE2-CZ 3.99Å; F1113-F1189 AromaticContact CG-CD1 3.85Å; F1113-F1189 HydrophobicContact CG-CD1 4.1Å; F1113-F1189 AromaticContact CG-CE1 3.88Å; F1113-F1189 HydrophobicContact CG-CE1 3.88Å; F1113-F1189 HydrophobicContact CZ-CB 3.67Å; F1113-F1189 AromaticContact CZ-CD1 3.51Å; F1113-F1189 HydrophobicContact CZ-CD1 3.51Å; F1113-F1189 HydrophobicContact CZ-CD2 4.34Å; F1113-F1189 HydrophobicContact CZ-CE1 4.37Å; F1113-F1189 AromaticContact CZ-CG 3.56Å; F1113-F1189 HydrophobicContact CZ-CG 3.56Å; H1114-F1189 HydrophobicContact CB-CB 4.3Å; H1114-F1189 VanDerWaalsContact CB-O 3.22Å; H1114-F1189 WeakPolarHBondContact CB-O 2.99Å; H1114-F1189 CarbonylContact O-C 3.16Å; H1114-F1189 VanDerWaalsContact O-O 3.14Å; Q1140-F1189 VanDerWaalsContact CD-CD1 3.45Å; Q1140-F1189 HydrophobicContact CG-CD1 4.39Å; Q1140-F1189 HydrophobicContact CG-CE1 3.99Å; V1142-F1189 HydrophobicContact CB-CZ 4.18Å; V1142-F1189 HydrophobicContact CG2-CE1 3.6Å; V1142-F1189 HydrophobicContact CG2-CZ 3.84Å; V1179-F1189 HydrophobicContact CG1-CD1 4.48Å; V1179-F1189 HydrophobicContact CG1-CE1 3.93Å; V1179-F1189 HydrophobicContact CG1-CZ 4.03Å; V1179-F1189 HydrophobicContact CG2-CE1 4.39Å; E1184-F1189 HydrophobicContact CG-CD2 4.23Å; Q1186-F1189 HydrophobicContact CG-CB 4.22Å; P1187-F1189 HydrophobicContact CB-CD2 4.38Å; P1187-F1189 HydrophobicContact CB-CE2 3.97Å; P1187-F1189 HydrophobicContact CB-CZ 4.11Å; P1187-F1189 HydrophobicContact CG-CE2 4.11Å; P1187-F1189 HydrophobicContact CG-CZ 4.5Å; P1187-F1189 WeakPolarHBondContact O-CD2 3.15Å; P1187-F1189 WeakPolarHBondContact O-CE2 3.23Å; P1187-F1189 PolarHBondContact O-N 3.03Å; F1189-T1191 PolarHBondContact O-N 3.29Å; F1189-V1218 VanDerWaalsContact CB-O 3.31Å; F1189-V1218 WeakPolarHBondContact CB-O 3.39Å; F1189-V1218 HydrophobicContact CD1-CB 4.38Å; F1189-V1218 HydrophobicContact CE2-CG2 3.9Å; F1189-V1218 HydrophobicContact CZ-CG2 3.78Å; F1189-V1218 CarbonylContact O-C 3.06Å; F1189-V1218 PolarHBondContact O-N 3.23Å; F1189-V1218 VanDerWaalsContact O-N 3.15Å; F1189-E1219 VanDerWaalsContact O-CA 3.25Å; F1189-E1219 WeakPolarHBondContact O-CA 3.39Å; F1189-E1219 PolarHBondContact O-N 3.21Å; F1189-N1220 WeakPolarHBondContact CA-O 3.22Å; F1189-N1220 HydrophobicContact CB-CB 4.14Å; F1189-N1220 WeakPolarHBondContact CB-O 3.12Å; F1189-N1220 HydrophobicContact CD2-CB 3.63Å; F1189-N1220 WeakPolarHBondContact CD2-O 3.32Å; F1189-N1220 HydrophobicContact CE2-CB 4.14Å; F1189-N1220 HydrophobicContact CG-CB 4.08Å; F1189-N1220 WeakPolarHBondContact CG-O 3.41Å; F1189-N1220 PolarHBondContact N-O 3.26Å; F1189-T1221 PolarHBondContact N-OG1 3.12Å; F1189-V1255 HydrophobicContact CE1-CB 4.19Å; F1189-V1255 HydrophobicContact CE1-CG1 4.05Å; F1189-T1257 WeakPolarHBondContact CZ-OG1 3.42Å; F1189-V1264 PolarHBondContact N-O 3.02Å; F1189-F1265 HydrophobicContact CB-CD1 3.93Å; F1189-F1265 AromaticContact CD2-CD1 3.44Å; F1189-F1265 HydrophobicContact CD2-CD1 3.44Å; F1189-F1265 VanDerWaalsContact CD2-CD1 3.44Å; F1189-F1265 AromaticContact CD2-CE1 3.28Å; F1189-F1265 HydrophobicContact CD2-CE1 3.28Å; F1189-F1265 HydrophobicContact CD2-CG 4.35Å; F1189-F1265 HydrophobicContact CD2-CZ 4.08Å; F1189-F1265 HydrophobicContact CE2-CD1 4.15Å; F1189-F1265 AromaticContact CE2-CE1 3.5Å; F1189-F1265 HydrophobicContact CE2-CE1 3.5Å; F1189-F1265 VanDerWaalsContact CE2-CE1 3.5Å; F1189-F1265 HydrophobicContact CE2-CZ 4.04Å; F1189-F1265 AromaticContact CG-CD1 3.86Å; F1189-F1265 HydrophobicContact CG-CD1 3.86Å; F1189-F1265 AromaticContact CG-CE1 3.99Å; F1189-F1265 HydrophobicContact CG-CE1 3.99Å; F1189-F1265 HydrophobicContact CZ-CE1 4.35Å; F1189-H1266 PolarHBondContact O-N 3.04Å; F1189-E1295 WeakPolarHBondContact CD1-O 3.46Å; F1189-E1295 WeakPolarHBondContact CE1-O 3.42Å; F1189-S1298 VanDerWaalsContact CD2-CA 3.46Å; F1189-S1298 VanDerWaalsContact CG-CA 3.46Å; F1189-T1299 VanDerWaalsContact CA-C 3.47Å; F1189-T1299 VanDerWaalsContact CA-CA 3.43Å; F1189-T1299 VanDerWaalsContact CA-CB 3.42Å; F1189-T1299 VanDerWaalsContact CA-O 3.26Å; F1189-T1299 WeakPolarHBondContact CA-O 3.31Å; F1189-T1299 WeakPolarHBondContact CA-OG1 3.03Å; F1189-T1299 VanDerWaalsContact CB-OG1 3.31Å; F1189-T1299 WeakPolarHBondContact CB-OG1 3.31Å; F1189-T1299 WeakPolarHBondContact CD1-OG1 3.46Å; F1189-T1299 PolarHBondContact N-O 2.76Å; F1189-T1299 WeakPolarHBondContact O-CB 3.46Å; F1189-T1299 PolarHBondContact O-OG1 2.95Å
1190	H	44.2	Very low	45.5	Very low	76.4 Å²	76.4	47 Å²	47	35%	0.354	26%	0.255	S	S	.	.			trans	-102.7	137.4	177.3	-99.1	101	0	0	0	114.7	V1112 F1113 H1114 T1115 V1188 S1217 V1218 E1219 T1221 V1264 H1266 Q1300	V1112-H1190 WeakPolarHBondContact CG1-ND1 3.28Å; F1113-H1190 PolarHBondContact O-N 3.01Å; F1113-H1190 VanDerWaalsContact O-O 3.1Å; H1114-H1190 AromaticContact CD2-CG 3.81Å; H1114-H1190 AromaticContact CD2-ND1 3.63Å; H1114-H1190 AromaticContact NE2-CG 3.91Å; H1114-H1190 AromaticContact NE2-ND1 3.31Å; H1114-H1190 PolarHBondContact NE2-ND1 3.18Å; T1115-H1190 PolarHBondContact N-O 3.35Å; V1188-H1190 VanDerWaalsContact CG1-CE1 3.41Å; V1188-H1190 WeakPolarHBondContact CG1-CE1 3.49Å; V1188-H1190 PolarHBondContact O-N 2.77Å; H1190-S1217 CarbonylContact O-C 3.58Å; H1190-S1217 WeakPolarHBondContact O-CA 3.26Å; H1190-S1217 WeakPolarHBondContact O-CB 3.36Å; H1190-S1217 PolarHBondContact O-OG 2.94Å; H1190-V1218 CarbonylContact O-C 3.58Å; H1190-V1218 WeakPolarHBondContact O-CA 3.35Å; H1190-V1218 PolarHBondContact O-N 3.46Å; H1190-E1219 WeakPolarHBondContact CA-OE1 3.49Å; H1190-E1219 VanDerWaalsContact CB-OE1 3.26Å; H1190-E1219 WeakPolarHBondContact CB-OE1 3.25Å; H1190-E1219 IonicContact CE1-OE1 2.8Å; H1190-E1219 IonicContact CG-OE1 2.67Å; H1190-E1219 PolarHBondContact N-OE1 3.31Å; H1190-E1219 IonicContact ND1-OE1 3.92Å; H1190-E1219 PolarHBondContact ND1-OE1 3.41Å; H1190-E1219 PolarHBondContact O-N 3.46Å; H1190-T1221 PolarHBondContact N-OG1 3.16Å; H1190-V1264 HydrophobicContact CB-CG1 3.41Å; H1190-V1264 VanDerWaalsContact CB-CG1 3.41Å; H1190-H1266 AromaticContact CD2-CE1 3.78Å; H1190-H1266 AromaticContact CD2-CG 3.71Å; H1190-H1266 AromaticContact CD2-ND1 3.49Å; H1190-H1266 PolarHBondContact CD2-ND1 3.25Å; H1190-H1266 AromaticContact CE1-NE2 3.49Å; H1190-H1266 PolarHBondContact CE1-NE2 3.35Å; H1190-H1266 AromaticContact ND1-CD2 3.63Å; H1190-H1266 AromaticContact ND1-CE1 3.75Å; H1190-H1266 AromaticContact ND1-NE2 2.96Å; H1190-H1266 PolarHBondContact ND1-NE2 2.57Å; H1190-H1266 AromaticContact NE2-CE1 3.85Å; H1190-H1266 AromaticContact NE2-CG 3.81Å; H1190-H1266 AromaticContact NE2-ND1 3.15Å; H1190-H1266 PolarHBondContact NE2-ND1 3.24Å; H1190-H1266 VanDerWaalsContact NE2-ND1 3.15Å; H1190-Q1300 WeakPolarHBondContact CB-O 3.2Å
1191	T	46.9	Very low	45.1	Very low	25.6 Å²	25.6	52.4 Å²	52.4	16%	0.157	28%	0.278	C	S	.	.			trans	-136.6	129.4	174.2	-59.2	0	0	0	0	111.2	T1115 M1138 Q1140 S1141 V1142 F1189 V1194 M1214 Q1216 S1217 V1218 E1219 V1255 F1265 H1266 T1267 V1268 V1331	T1115-T1191 WeakPolarHBondContact O-CA 3.42Å; M1138-T1191 HydrophobicContact CE-CG2 4.09Å; M1138-T1191 HydrophobicContact SD-CG2 4.17Å; Q1140-T1191 CarbonylContact C-O 2.9Å; Q1140-T1191 HydrophobicContact CB-CG2 4.29Å; Q1140-T1191 VanDerWaalsContact CD-CG2 3.41Å; Q1140-T1191 HydrophobicContact CG-CG2 3.46Å; Q1140-T1191 VanDerWaalsContact CG-CG2 3.46Å; S1141-T1191 VanDerWaalsContact CA-O 3.22Å; S1141-T1191 WeakPolarHBondContact CA-O 2.96Å; S1141-T1191 PolarHBondContact N-O 3.18Å; V1142-T1191 VanDerWaalsContact CG2-CA 3.5Å; V1142-T1191 WeakPolarHBondContact CG2-OG1 3.43Å; F1189-T1191 PolarHBondContact O-N 3.29Å; T1191-V1194 HydrophobicContact CG2-CG2 3.74Å; T1191-M1214 HydrophobicContact CG2-SD 4.13Å; T1191-Q1216 HydrophobicContact CG2-CG 4.49Å; T1191-S1217 VanDerWaalsContact CA-OG 3.24Å; T1191-S1217 WeakPolarHBondContact CA-OG 3.49Å; T1191-S1217 PolarHBondContact N-OG 3.05Å; T1191-S1217 VanDerWaalsContact N-OG 3.14Å; T1191-S1217 PolarHBondContact OG1-O 3.33Å; T1191-S1217 VanDerWaalsContact OG1-O 3.08Å; T1191-V1218 WeakPolarHBondContact OG1-CA 3.5Å; T1191-V1218 PolarHBondContact OG1-N 3.28Å; T1191-E1219 PolarHBondContact OG1-N 3.1Å; T1191-V1255 HydrophobicContact CG2-CG1 4.13Å; T1191-V1255 WeakPolarHBondContact O-CG1 3.37Å; T1191-V1255 WeakPolarHBondContact O-CG2 3.4Å; T1191-F1265 PolarHBondContact OG1-O 2.68Å; T1191-H1266 PolarHBondContact N-O 2.81Å; T1191-H1266 WeakPolarHBondContact OG1-CA 3.42Å; T1191-T1267 VanDerWaalsContact O-CA 3.28Å; T1191-T1267 WeakPolarHBondContact O-CA 3.42Å; T1191-T1267 PolarHBondContact OG1-N 2.73Å; T1191-V1268 PolarHBondContact O-N 3.4Å; T1191-V1331 HydrophobicContact CG2-CB 4.5Å; T1191-V1331 HydrophobicContact CG2-CG1 4.31Å; T1191-V1331 HydrophobicContact CG2-CG2 3.89Å
1192	V	47.3	Very low	44.8	Very low	63.8 Å²	63.8	54.6 Å²	54.6	39%	0.387	29%	0.293	S	S	.	.			trans	-107.9	-167.3	177.9	-176.4	0	0	0	0	109.8	T1115 V1116 V1118 R1139 Q1140 V1194 R1215 Q1216 Q1253 V1268 S1269	T1115-V1192 PolarHBondContact O-N 2.95Å; V1116-V1192 HydrophobicContact CG1-CG2 4.32Å; V1116-V1192 VanDerWaalsContact O-CB 3.31Å; V1116-V1192 WeakPolarHBondContact O-CB 3.37Å; V1116-V1192 PolarHBondContact O-N 3.17Å; V1118-V1192 HydrophobicContact CG1-CG1 4.05Å; V1118-V1192 HydrophobicContact CG1-CG2 4.14Å; R1139-V1192 HydrophobicContact CB-CG1 4.14Å; R1139-V1192 HydrophobicContact CG-CG1 4.28Å; Q1140-V1192 VanDerWaalsContact C-CA 3.49Å; Q1140-V1192 WeakPolarHBondContact O-CA 2.95Å; Q1140-V1192 WeakPolarHBondContact O-CB 3.45Å; Q1140-V1192 WeakPolarHBondContact O-CG1 3.45Å; Q1140-V1192 WeakPolarHBondContact O-CG2 3.26Å; V1192-V1194 HydrophobicContact CG1-CG2 4.13Å; V1192-V1194 PolarHBondContact O-N 3.44Å; V1192-R1215 VanDerWaalsContact C-CA 3.47Å; V1192-R1215 CarbonylContact C-O 3.54Å; V1192-R1215 HydrophobicContact CB-CB 3.23Å; V1192-R1215 HydrophobicContact CB-CG 3.9Å; V1192-R1215 HydrophobicContact CG1-CB 3.46Å; V1192-R1215 VanDerWaalsContact CG1-CB 3.46Å; V1192-R1215 HydrophobicContact CG1-CG 3.9Å; V1192-R1215 HydrophobicContact CG2-CB 4.47Å; V1192-R1215 CarbonylContact O-C 3.36Å; V1192-Q1216 WeakPolarHBondContact O-CA 3.4Å; V1192-Q1216 PolarHBondContact O-N 3.24Å; V1192-Q1253 VanDerWaalsContact CG1-NE2 3.34Å; V1192-V1268 HydrophobicContact CG1-CB 4.08Å; V1192-V1268 HydrophobicContact CG1-CG2 4.09Å; V1192-V1268 CarbonylContact O-C 3.57Å; V1192-V1268 WeakPolarHBondContact O-CA 3.42Å; V1192-V1268 VanDerWaalsContact O-CB 3.3Å; V1192-V1268 WeakPolarHBondContact O-CB 3.41Å; V1192-V1268 PolarHBondContact O-N 3.03Å; V1192-S1269 PolarHBondContact O-N 3.01Å
1193	N	45.2	Very low	44.4	Very low	64.2 Å²	64.2	56.3 Å²	56.3	34%	0.343	31%	0.308	S	S	.	.			trans	-130.9	0	-179.3	-78.3	-37.2	0	0	0	113.8	V1116 N1117 V1118 M1138 Q1140 G1195 M1214 R1215 Q1253 S1254 S1269 Q1329 V1331	V1116-N1193 PolarHBondContact O-N 3.27Å; N1117-N1193 WeakPolarHBondContact OD1-CB 3.4Å; N1117-N1193 PolarHBondContact OD1-ND2 2.86Å; V1118-N1193 PolarHBondContact N-O 3.15Å; M1138-N1193 CarbonylContact C-O 3.29Å; M1138-N1193 VanDerWaalsContact CB-C 3.49Å; M1138-N1193 WeakPolarHBondContact CB-O 3.21Å; M1138-N1193 HydrophobicContact CE-CB 3.55Å; M1138-N1193 WeakPolarHBondContact CE-ND2 3.43Å; M1138-N1193 WeakPolarHBondContact CE-OD1 3.17Å; M1138-N1193 HydrophobicContact CG-CB 3.82Å; M1138-N1193 WeakPolarHBondContact CG-O 3.06Å; M1138-N1193 HydrophobicContact SD-CB 3.98Å; Q1140-N1193 HydrophobicContact CB-CB 3.58Å; Q1140-N1193 HydrophobicContact CG-CB 4.5Å; Q1140-N1193 PolarHBondContact OE1-ND2 3.28Å; N1193-G1195 PolarHBondContact O-N 3.18Å; N1193-M1214 WeakPolarHBondContact OD1-CG 3.27Å; N1193-R1215 VanDerWaalsContact CA-O 3.29Å; N1193-R1215 WeakPolarHBondContact CA-O 3.46Å; N1193-R1215 VanDerWaalsContact N-CB 3.35Å; N1193-R1215 PolarHBondContact O-N 3.22Å; N1193-Q1253 PolarHBondContact OD1-NE2 2.97Å; N1193-S1254 CarbonylContact C-O 3.54Å; N1193-S1254 VanDerWaalsContact C-O 3.25Å; N1193-S1254 WeakPolarHBondContact CA-O 3.31Å; N1193-S1254 PolarHBondContact N-O 2.9Å; N1193-S1269 WeakPolarHBondContact CA-O 3.42Å; N1193-S1269 VanDerWaalsContact OD1-CB 3.28Å; N1193-S1269 WeakPolarHBondContact OD1-CB 3.41Å; N1193-Q1329 CarbonylContact C-O 3.53Å; N1193-Q1329 HydrophobicContact CB-CB 4.23Å; N1193-Q1329 VanDerWaalsContact CB-O 3.28Å; N1193-Q1329 WeakPolarHBondContact CB-O 3.08Å; N1193-Q1329 VanDerWaalsContact O-O 3.06Å; N1193-V1331 VanDerWaalsContact O-CB 3.3Å; N1193-V1331 WeakPolarHBondContact O-CB 3.46Å; N1193-V1331 VanDerWaalsContact O-CG2 3.27Å; N1193-V1331 WeakPolarHBondContact O-CG2 3.39Å; N1193-V1331 PolarHBondContact O-N 2.92Å
1194	V	49	Very low	43.9	Very low	29.2 Å²	29.2	58.1 Å²	58.1	18%	0.177	32%	0.322	C	S	.	.				0	120.4	0	-174	0	0	0	0	111.1	V1118 M1138 T1191 V1192 T1213 M1214 S1254 Q1256 S1269 V1270 G1271 V1325 C1327 A1328 Q1329 V1331	V1118-V1194 HydrophobicContact CB-CG2 4.28Å; V1118-V1194 HydrophobicContact CG1-CG1 4.44Å; V1118-V1194 WeakPolarHBondContact O-CA 3.4Å; M1138-V1194 HydrophobicContact CB-CB 3.57Å; M1138-V1194 HydrophobicContact CB-CG1 4.09Å; M1138-V1194 HydrophobicContact CB-CG2 4.07Å; M1138-V1194 HydrophobicContact CG-CB 4.49Å; M1138-V1194 WeakPolarHBondContact O-CG2 3.49Å; M1138-V1194 WeakPolarHBondContact SD-CA 2.92Å; M1138-V1194 HydrophobicContact SD-CG2 3.69Å; M1138-V1194 PolarHBondContact SD-N 3.44Å; T1191-V1194 HydrophobicContact CG2-CG2 3.74Å; V1192-V1194 HydrophobicContact CG1-CG2 4.13Å; V1192-V1194 PolarHBondContact O-N 3.44Å; V1194-T1213 CarbonylContact C-O 3.18Å; V1194-T1213 VanDerWaalsContact C-O 3.24Å; V1194-T1213 VanDerWaalsContact CB-C 3.42Å; V1194-T1213 HydrophobicContact CB-CG2 4.2Å; V1194-T1213 WeakPolarHBondContact CB-O 3.28Å; V1194-T1213 HydrophobicContact CG2-CG2 3.5Å; V1194-M1214 HydrophobicContact CG2-CG 4.24Å; V1194-M1214 HydrophobicContact CG2-SD 4.06Å; V1194-M1214 VanDerWaalsContact N-CA 3.34Å; V1194-S1254 PolarHBondContact N-O 2.83Å; V1194-Q1256 HydrophobicContact CB-CB 4.05Å; V1194-Q1256 HydrophobicContact CG1-CB 4.08Å; V1194-Q1256 HydrophobicContact CG2-CB 3.76Å; V1194-S1269 PolarHBondContact N-O 2.97Å; V1194-V1270 HydrophobicContact CB-CG2 4.42Å; V1194-V1270 WeakPolarHBondContact O-CA 3.38Å; V1194-G1271 PolarHBondContact O-N 3.06Å; V1194-G1271 VanDerWaalsContact O-N 3.16Å; V1194-V1325 HydrophobicContact CG1-CG1 4.15Å; V1194-C1327 CarbonylContact O-C 3.33Å; V1194-C1327 WeakPolarHBondContact O-CB 3.32Å; V1194-C1327 PolarHBondContact O-SG 2.89Å; V1194-A1328 PolarHBondContact O-N 2.92Å; V1194-Q1329 CarbonylContact C-O 3.23Å; V1194-Q1329 WeakPolarHBondContact CA-O 3.44Å; V1194-Q1329 PolarHBondContact N-O 3.18Å; V1194-Q1329 VanDerWaalsContact N-O 3.16Å; V1194-Q1329 PolarHBondContact O-N 3.4Å; V1194-V1331 WeakPolarHBondContact CG1-O 3.15Å; V1194-V1331 HydrophobicContact CG2-CB 3.78Å; V1194-V1331 VanDerWaalsContact CG2-O 3.24Å; V1194-V1331 WeakPolarHBondContact CG2-O 2.94Å
1195	G	49.4	Very low	43.9	Very low	26 Å²	26	59.2 Å²	59.2	27%	0.268	33%	0.329	S	S	.	.			trans	-130.3	172.5	174.6	0	0	0	0	0	115.2	V1118 A1136 N1193 C1327 A1328 Q1329 S1330 C1403	V1118-G1195 PolarHBondContact O-N 3.14Å; A1136-G1195 WeakPolarHBondContact CB-O 3.33Å; N1193-G1195 PolarHBondContact O-N 3.18Å; G1195-C1327 VanDerWaalsContact CA-N 3.29Å; G1195-C1327 WeakPolarHBondContact CA-SG 3.4Å; G1195-C1327 PolarHBondContact N-SG 3.23Å; G1195-A1328 VanDerWaalsContact C-N 3.28Å; G1195-A1328 VanDerWaalsContact CA-N 3.34Å; G1195-A1328 CarbonylContact O-C 3.17Å; G1195-Q1329 PolarHBondContact N-O 3.34Å; G1195-Q1329 CarbonylContact O-C 3.21Å; G1195-Q1329 VanDerWaalsContact O-C 3.24Å; G1195-Q1329 WeakPolarHBondContact O-CA 3.36Å; G1195-Q1329 PolarHBondContact O-N 3.39Å; G1195-S1330 VanDerWaalsContact C-OG 3.27Å; G1195-S1330 WeakPolarHBondContact CA-OG 3.1Å; G1195-S1330 PolarHBondContact N-OG 2.73Å; G1195-S1330 PolarHBondContact O-N 2.96Å; G1195-S1330 PolarHBondContact O-OG 3.15Å; G1195-C1403 CarbonylContact O-C 3.22Å; G1195-C1403 VanDerWaalsContact O-C 3.29Å; G1195-C1403 WeakPolarHBondContact O-CA 3.46Å
1196	L	53.5	Low	43.7	Very low	30.2 Å²	30.2	59.4 Å²	59.4	16%	0.158	34%	0.335	C	S	.	.			trans	-150.3	117.1	175.9	-173	164.7	0	0	0	110.6	L1120 L1134 Q1135 A1136 H1198 L1210 Q1211 A1212 H1250 V1272 D1273 C1327 A1328 H1402 A1404	L1120-L1196 HydrophobicContact CB-CG 4.29Å; L1120-L1196 HydrophobicContact CD2-CD1 4.19Å; L1120-L1196 HydrophobicContact CD2-CG 4.26Å; L1134-L1196 HydrophobicContact CB-CD1 4.16Å; L1134-L1196 HydrophobicContact CB-CD2 4.15Å; L1134-L1196 HydrophobicContact CD1-CD2 4.32Å; Q1135-L1196 VanDerWaalsContact CA-CD1 3.41Å; Q1135-L1196 HydrophobicContact CB-CD1 4.43Å; Q1135-L1196 HydrophobicContact CG-CD1 4.32Å; A1136-L1196 HydrophobicContact CB-CB 3.9Å; A1136-L1196 HydrophobicContact CB-CD1 4.43Å; A1136-L1196 HydrophobicContact CB-CG 4.05Å; L1196-H1198 HydrophobicContact CD2-CB 4.25Å; L1196-H1198 PolarHBondContact O-N 3.48Å; L1196-L1210 HydrophobicContact CD2-CD2 4.18Å; L1196-Q1211 WeakPolarHBondContact CB-O 2.99Å; L1196-Q1211 HydrophobicContact CD1-CB 3.47Å; L1196-Q1211 VanDerWaalsContact CD1-CB 3.47Å; L1196-Q1211 HydrophobicContact CD1-CG 3.35Å; L1196-Q1211 HydrophobicContact CD2-CB 4.43Å; L1196-Q1211 WeakPolarHBondContact CD2-O 3.07Å; L1196-Q1211 WeakPolarHBondContact CG-O 3.06Å; L1196-A1212 VanDerWaalsContact CB-CA 3.42Å; L1196-A1212 HydrophobicContact CB-CB 3.78Å; L1196-H1250 PolarHBondContact O-CE1 3.19Å; L1196-H1250 PolarHBondContact O-ND1 2.98Å; L1196-V1272 HydrophobicContact CB-CG1 4.41Å; L1196-V1272 HydrophobicContact CB-CG2 4.44Å; L1196-V1272 HydrophobicContact CD2-CG1 4.45Å; L1196-D1273 PolarHBondContact O-N 2.77Å; L1196-D1273 VanDerWaalsContact O-N 3.14Å; L1196-C1327 VanDerWaalsContact C-C 3.4Å; L1196-C1327 CarbonylContact C-O 3.36Å; L1196-C1327 CarbonylContact O-C 3.48Å; L1196-C1327 PolarHBondContact O-N 3.02Å; L1196-A1328 CarbonylContact C-O 2.94Å; L1196-A1328 WeakPolarHBondContact CA-O 3.35Å; L1196-A1328 PolarHBondContact N-O 3.02Å; L1196-H1402 WeakPolarHBondContact CB-O 3.13Å; L1196-H1402 HydrophobicContact CD1-CB 4.29Å; L1196-H1402 WeakPolarHBondContact CD1-ND1 3.3Å; L1196-A1404 HydrophobicContact CB-CB 4.28Å; L1196-A1404 HydrophobicContact CG-CB 4.09Å
1197	D	49.2	Very low	43.7	Very low	71.6 Å²	71.6	58.7 Å²	58.7	38%	0.383	34%	0.343	S	S	.	.			trans	-105	132.7	175.2	-87.6	-8.7	0	0	0	111.2	L1120 H1122 T1123 L1134 T1199 C1251 Q1287 A1328 A1404	L1120-D1197 PolarHBondContact O-N 3.1Å; H1122-D1197 PolarHBondContact N-O 3.23Å; H1122-D1197 VanDerWaalsContact N-O 3.09Å; T1123-D1197 WeakPolarHBondContact CB-OD2 3.14Å; T1123-D1197 PolarHBondContact N-OD2 3.08Å; T1123-D1197 VanDerWaalsContact OG1-CG 3.32Å; T1123-D1197 PolarHBondContact OG1-OD2 2.73Å; L1134-D1197 WeakPolarHBondContact CB-O 3.24Å; L1134-D1197 WeakPolarHBondContact CD1-O 3.32Å; D1197-T1199 PolarHBondContact O-N 3.03Å; D1197-T1199 VanDerWaalsContact O-N 3.08Å; D1197-C1251 WeakPolarHBondContact CB-O 3.32Å; D1197-Q1287 PolarHBondContact OD1-NE2 3.09Å; D1197-Q1287 VanDerWaalsContact OD1-NE2 3.15Å; D1197-A1328 PolarHBondContact N-O 2.73Å; D1197-A1404 WeakPolarHBondContact O-CB 3.32Å
1198	H	51.4	Low	43.7	Very low	41.6 Å²	41.6	61.3 Å²	61.3	19%	0.193	35%	0.351	C	S	.	.			trans	-115.6	109.1	-178.8	-178.7	-24.9	0	0	0	113	H1122 T1123 E1124 K1132 K1133 L1134 L1196 E1200 K1209 L1210 D1273 L1274 Y1283	H1122-H1198 AromaticContact CG-ND1 3.92Å; H1122-H1198 AromaticContact ND1-CE1 3.47Å; H1122-H1198 PolarHBondContact ND1-CE1 2.96Å; H1122-H1198 AromaticContact ND1-ND1 3.35Å; H1122-H1198 PolarHBondContact ND1-ND1 2.88Å; H1122-H1198 VanDerWaalsContact ND1-ND1 3.15Å; H1122-H1198 PolarHBondContact O-ND1 2.98Å; T1123-H1198 CarbonylContact C-O 3.5Å; T1123-H1198 WeakPolarHBondContact CB-O 3.38Å; T1123-H1198 WeakPolarHBondContact CG2-O 3.49Å; E1124-H1198 IonicContact OE2-CE1 3.3Å; K1132-H1198 VanDerWaalsContact CB-NE2 3.3Å; K1132-H1198 WeakPolarHBondContact CB-NE2 3.41Å; K1132-H1198 WeakPolarHBondContact CD-NE2 2.88Å; K1132-H1198 WeakPolarHBondContact CE-NE2 3.41Å; K1132-H1198 PolarHBondContact NZ-CD2 2.99Å; K1132-H1198 VanDerWaalsContact NZ-CD2 3.28Å; K1132-H1198 PolarHBondContact NZ-NE2 3.22Å; K1132-H1198 PolarHBondContact O-NE2 3.18Å; K1132-H1198 VanDerWaalsContact O-NE2 3.13Å; K1133-H1198 VanDerWaalsContact CA-CD2 3.47Å; K1133-H1198 WeakPolarHBondContact CA-CD2 3.26Å; L1134-H1198 HydrophobicContact CB-CB 3.84Å; L1134-H1198 HydrophobicContact CD1-CB 4.43Å; L1134-H1198 HydrophobicContact CG-CB 3.76Å; L1134-H1198 PolarHBondContact N-CD2 3.44Å; L1196-H1198 HydrophobicContact CD2-CB 4.25Å; L1196-H1198 PolarHBondContact O-N 3.48Å; H1198-E1200 IonicContact CD2-OE2 2.63Å; H1198-E1200 IonicContact CE1-OE2 3.55Å; H1198-E1200 IonicContact NE2-OE2 3.82Å; H1198-E1200 PolarHBondContact NE2-OE2 2.83Å; H1198-E1200 PolarHBondContact O-N 3.27Å; H1198-E1200 VanDerWaalsContact O-N 3.16Å; H1198-K1209 VanDerWaalsContact CB-O 3.32Å; H1198-K1209 WeakPolarHBondContact CB-O 3.1Å; H1198-K1209 VanDerWaalsContact CG-O 3.24Å; H1198-K1209 PolarHBondContact ND1-N 2.88Å; H1198-L1210 HydrophobicContact CB-CB 3.94Å; H1198-L1210 HydrophobicContact CB-CG 3.83Å; H1198-D1273 WeakPolarHBondContact CA-OD1 3.33Å; H1198-D1273 WeakPolarHBondContact CB-OD1 3.28Å; H1198-D1273 PolarHBondContact N-O 2.87Å; H1198-L1274 HydrophobicContact CB-CD2 4.1Å; H1198-Y1283 PolarHBondContact CD2-OH 2.85Å; H1198-Y1283 PolarHBondContact NE2-OH 3.05Å
1199	T	47.1	Very low	43.8	Very low	67 Å²	67	63.6 Å²	63.6	41%	0.411	36%	0.357	S	S	.	.			trans	-102.9	109.1	-179.5	-56	0	0	0	0	112	H1122 T1123 E1124 D1197 K1201 D1273 T1275	H1122-T1199 PolarHBondContact CE1-O 2.83Å; H1122-T1199 PolarHBondContact ND1-O 3.24Å; H1122-T1199 PolarHBondContact O-N 2.94Å; T1123-T1199 WeakPolarHBondContact CA-O 3.46Å; T1123-T1199 HydrophobicContact CG2-CG2 4Å; T1123-T1199 VanDerWaalsContact CG2-OG1 3.27Å; T1123-T1199 WeakPolarHBondContact CG2-OG1 3.32Å; E1124-T1199 PolarHBondContact N-O 3.11Å; D1197-T1199 PolarHBondContact O-N 3.03Å; D1197-T1199 VanDerWaalsContact O-N 3.08Å; T1199-K1201 WeakPolarHBondContact O-CG 3.14Å; T1199-K1201 PolarHBondContact O-N 2.99Å; T1199-D1273 WeakPolarHBondContact CA-OD2 3.09Å; T1199-D1273 WeakPolarHBondContact CB-OD2 3.06Å; T1199-D1273 PolarHBondContact N-OD1 2.8Å; T1199-D1273 VanDerWaalsContact N-OD1 3.13Å; T1199-D1273 PolarHBondContact N-OD2 3.43Å; T1199-D1273 PolarHBondContact OG1-OD2 2.74Å; T1199-T1275 WeakPolarHBondContact O-CG2 3.3Å
1200	E	47.8	Very low	43.9	Very low	36.6 Å²	36.6	64.9 Å²	64.9	17%	0.171	37%	0.366	C	S	.	.			trans	-108.2	127.6	-176.5	-170.2	-178.7	-172.2	0	0	112	E1124 L1129 G1131 K1132 H1198 S1202 P1203 S1204 L1205 K1208 L1278	E1124-E1200 HydrophobicContact CB-CG 4.33Å; E1124-E1200 WeakPolarHBondContact OE2-CA 3.38Å; E1124-E1200 WeakPolarHBondContact OE2-CG 3.47Å; L1129-E1200 WeakPolarHBondContact CD1-OE2 3.26Å; G1131-E1200 PolarHBondContact N-OE1 2.87Å; K1132-E1200 WeakPolarHBondContact CE-OE2 3.47Å; K1132-E1200 PolarHBondContact N-OE1 3.25Å; K1132-E1200 IonicContact NZ-OE2 3.18Å; K1132-E1200 PolarHBondContact NZ-OE2 3.41Å; H1198-E1200 IonicContact CD2-OE2 2.63Å; H1198-E1200 IonicContact CE1-OE2 3.55Å; H1198-E1200 IonicContact NE2-OE2 3.82Å; H1198-E1200 PolarHBondContact NE2-OE2 2.83Å; H1198-E1200 PolarHBondContact O-N 3.27Å; H1198-E1200 VanDerWaalsContact O-N 3.16Å; E1200-S1202 PolarHBondContact O-N 3.31Å; E1200-S1202 PolarHBondContact OE1-OG 2.91Å; E1200-P1203 WeakPolarHBondContact O-CD 3.23Å; E1200-P1203 VanDerWaalsContact OE1-CA 3.32Å; E1200-P1203 WeakPolarHBondContact OE1-CA 3.07Å; E1200-S1204 PolarHBondContact OE1-N 3.15Å; E1200-L1205 HydrophobicContact CB-CD2 4.25Å; E1200-L1205 VanDerWaalsContact CD-CG 3.5Å; E1200-L1205 HydrophobicContact CG-CD1 3.95Å; E1200-L1205 HydrophobicContact CG-CD2 3.97Å; E1200-L1205 HydrophobicContact CG-CG 4.1Å; E1200-L1205 WeakPolarHBondContact OE1-CB 3Å; E1200-L1205 VanDerWaalsContact OE1-CD2 3.29Å; E1200-L1205 WeakPolarHBondContact OE1-CD2 3.18Å; E1200-L1205 WeakPolarHBondContact OE1-CG 3.37Å; E1200-L1205 PolarHBondContact OE1-N 2.85Å; E1200-L1205 WeakPolarHBondContact OE2-CD1 3.39Å; E1200-L1205 WeakPolarHBondContact OE2-CG 3.34Å; E1200-K1208 HydrophobicContact CB-CD 3.89Å; E1200-K1208 HydrophobicContact CB-CG 4.19Å; E1200-K1208 WeakPolarHBondContact O-CE 3.31Å; E1200-K1208 PolarHBondContact O-NZ 2.8Å; E1200-L1278 HydrophobicContact CB-CD2 3.9Å; E1200-L1278 HydrophobicContact CG-CD1 4.36Å; E1200-L1278 HydrophobicContact CG-CD2 4.24Å
1201	K	37.5	Very low	43.9	Very low	153 Å²	153	65.8 Å²	65.8	67%	0.665	37%	0.37	S	S	*	.			trans	-94.8	60.4	171.9	-65.1	-179.8	-172.9	162.9	0	114.9	E1124 T1199 P1203 T1275 D1349 H1350 T1351	E1124-K1201 PolarHBondContact OE2-N 3.2Å; T1199-K1201 WeakPolarHBondContact O-CG 3.14Å; T1199-K1201 PolarHBondContact O-N 2.99Å; K1201-P1203 VanDerWaalsContact O-CD 3.25Å; K1201-P1203 WeakPolarHBondContact O-CD 3.3Å; K1201-T1275 HydrophobicContact CD-CG2 4.34Å; K1201-T1275 WeakPolarHBondContact CD-OG1 3.37Å; K1201-T1275 WeakPolarHBondContact CE-OG1 3.32Å; K1201-T1275 HydrophobicContact CG-CG2 4.04Å; K1201-T1275 WeakPolarHBondContact CG-OG1 3.16Å; K1201-T1275 PolarHBondContact NZ-OG1 2.74Å; K1201-D1349 IonicContact NZ-OD1 3.44Å; K1201-D1349 PolarHBondContact NZ-OD1 3.13Å; K1201-D1349 IonicContact NZ-OD2 3.47Å; K1201-D1349 PolarHBondContact NZ-OD2 2.64Å; K1201-H1350 PolarHBondContact NZ-O 2.78Å; K1201-T1351 PolarHBondContact NZ-OG1 3.48Å
1202	S	37.4	Very low	43.6	Very low	64 Å²	64	66.5 Å²	66.5	45%	0.448	38%	0.378	S	S	.	.	S	Bend	trans	-115.8	124.9	167.7	-40.5	0	0	0	0	112.3	K1125 S1126 S1128 E1200 S1204 G1276	K1125-S1202 VanDerWaalsContact C-OG 3.28Å; S1126-S1202 WeakPolarHBondContact O-CB 3.47Å; S1128-S1202 WeakPolarHBondContact CA-O 3.3Å; S1128-S1202 PolarHBondContact N-O 3Å; E1200-S1202 PolarHBondContact O-N 3.31Å; E1200-S1202 PolarHBondContact OE1-OG 2.91Å; S1202-S1204 WeakPolarHBondContact O-CB 3.45Å; S1202-S1204 PolarHBondContact O-N 3Å; S1202-S1204 PolarHBondContact O-OG 3.15Å; S1202-G1276 WeakPolarHBondContact CB-O 3.49Å; S1202-G1276 PolarHBondContact OG-O 2.97Å
1203	P	35.7	Very low	43.4	Very low	92.2 Å²	92.2	66.1 Å²	66.1	60%	0.599	38%	0.376	S	S	*	.	S	Bend	trans	-86.3	107.5	-171.3	17.3	-10	0	0	0	112	S1128 L1129 E1200 K1201 L1205	S1128-P1203 PolarHBondContact N-O 3.42Å; S1128-P1203 WeakPolarHBondContact OG-CB 3.15Å; S1128-P1203 WeakPolarHBondContact OG-CG 3.39Å; L1129-P1203 HydrophobicContact CD2-CB 3.74Å; L1129-P1203 HydrophobicContact CG-CB 4.09Å; E1200-P1203 WeakPolarHBondContact O-CD 3.23Å; E1200-P1203 VanDerWaalsContact OE1-CA 3.32Å; E1200-P1203 WeakPolarHBondContact OE1-CA 3.07Å; K1201-P1203 VanDerWaalsContact O-CD 3.25Å; K1201-P1203 WeakPolarHBondContact O-CD 3.3Å; P1203-L1205 PolarHBondContact O-N 3.33Å
1204	S	33.2	Very low	43.3	Very low	68.4 Å²	68.4	66.7 Å²	66.7	48%	0.478	38%	0.378	S	S	.	.			trans	-111.6	98.2	175.1	50.7	0	0	0	0	112.7	L1129 E1200 S1202 L1278 Q1279 S1280	L1129-S1204 PolarHBondContact N-O 2.93Å; E1200-S1204 PolarHBondContact OE1-N 3.15Å; S1202-S1204 WeakPolarHBondContact O-CB 3.45Å; S1202-S1204 PolarHBondContact O-N 3Å; S1202-S1204 PolarHBondContact O-OG 3.15Å; S1204-L1278 WeakPolarHBondContact OG-CB 3.43Å; S1204-Q1279 PolarHBondContact N-O 2.95Å; S1204-S1280 WeakPolarHBondContact O-CA 3.18Å; S1204-S1280 PolarHBondContact OG-N 2.68Å
1205	L	39.3	Very low	43	Very low	83.8 Å²	83.8	71.2 Å²	71.2	44%	0.439	39%	0.392	S	S	.	.			trans	-122.5	113	168	-71.4	178.2	0	0	0	112.3	L1129 E1200 P1203 G1207 K1208 L1274 L1278 V1281 L1282 Y1283	L1129-L1205 HydrophobicContact CB-CD2 4.13Å; E1200-L1205 HydrophobicContact CB-CD2 4.25Å; E1200-L1205 VanDerWaalsContact CD-CG 3.5Å; E1200-L1205 HydrophobicContact CG-CD1 3.95Å; E1200-L1205 HydrophobicContact CG-CD2 3.97Å; E1200-L1205 HydrophobicContact CG-CG 4.1Å; E1200-L1205 WeakPolarHBondContact OE1-CB 3Å; E1200-L1205 VanDerWaalsContact OE1-CD2 3.29Å; E1200-L1205 WeakPolarHBondContact OE1-CD2 3.18Å; E1200-L1205 WeakPolarHBondContact OE1-CG 3.37Å; E1200-L1205 PolarHBondContact OE1-N 2.85Å; E1200-L1205 WeakPolarHBondContact OE2-CD1 3.39Å; E1200-L1205 WeakPolarHBondContact OE2-CG 3.34Å; P1203-L1205 PolarHBondContact O-N 3.33Å; L1205-G1207 PolarHBondContact O-N 3.1Å; L1205-K1208 HydrophobicContact CB-CD 4.39Å; L1205-K1208 HydrophobicContact CB-CG 4.47Å; L1205-K1208 HydrophobicContact CD1-CD 3.9Å; L1205-L1274 HydrophobicContact CD1-CD2 4.47Å; L1205-L1278 HydrophobicContact CD2-CD1 4.05Å; L1205-L1278 HydrophobicContact CG-CD1 4.14Å; L1205-V1281 HydrophobicContact CB-CG1 4.27Å; L1205-V1281 HydrophobicContact CB-CG2 4.41Å; L1205-L1282 PolarHBondContact O-N 2.92Å; L1205-Y1283 HydrophobicContact CD1-CE1 4.37Å; L1205-Y1283 HydrophobicContact CD2-CD2 3.54Å; L1205-Y1283 HydrophobicContact CD2-CE2 4.15Å; L1205-Y1283 HydrophobicContact CD2-CG 4.4Å
1206	V	33.9	Very low	42.6	Very low	77.6 Å²	77.6	73.7 Å²	73.7	47%	0.47	40%	0.396	S	S	.	.			trans	-67.3	92.8	162.3	-172.3	0	0	0	0	112.8	L1129 V1130 G1131 K1208 L1278 Q1279 V1281 L1282	L1129-V1206 PolarHBondContact O-N 3.02Å; V1130-V1206 WeakPolarHBondContact CA-O 3.21Å; V1130-V1206 HydrophobicContact CG2-CB 4.46Å; G1131-V1206 PolarHBondContact N-O 3.15Å; V1206-K1208 HydrophobicContact CG1-CG 3.98Å; V1206-K1208 WeakPolarHBondContact O-CG 3.38Å; V1206-K1208 PolarHBondContact O-N 3.26Å; V1206-L1278 HydrophobicContact CG1-CB 3.63Å; V1206-L1278 HydrophobicContact CG1-CG 4.08Å; V1206-L1278 WeakPolarHBondContact CG1-O 2.84Å; V1206-L1278 WeakPolarHBondContact O-CD1 2.83Å; V1206-L1278 WeakPolarHBondContact O-CG 2.96Å; V1206-Q1279 VanDerWaalsContact CG1-N 3.28Å; V1206-V1281 CarbonylContact C-O 3.51Å; V1206-V1281 VanDerWaalsContact C-O 3.29Å; V1206-V1281 WeakPolarHBondContact CA-O 3.43Å; V1206-V1281 HydrophobicContact CG1-CB 4.03Å; V1206-V1281 HydrophobicContact CG1-CG2 4.25Å; V1206-V1281 PolarHBondContact N-O 3.38Å; V1206-L1282 HydrophobicContact CB-CB 4.39Å; V1206-L1282 HydrophobicContact CG1-CB 4.23Å; V1206-L1282 HydrophobicContact CG1-CD2 3.99Å; V1206-L1282 HydrophobicContact CG2-CB 4.19Å
1207	G	41.3	Very low	42	Very low	43 Å²	43	75 Å²	75	44%	0.443	41%	0.408	S	S	.	.			trans	75.2	59.5	166	0	0	0	0	0	114.4	G1131 L1205 K1209 L1278 V1281 L1282	G1131-G1207 VanDerWaalsContact C-CA 3.48Å; G1131-G1207 CarbonylContact O-C 3.43Å; G1131-G1207 WeakPolarHBondContact O-CA 2.98Å; L1205-G1207 PolarHBondContact O-N 3.1Å; G1207-K1209 WeakPolarHBondContact O-CG 3.12Å; G1207-L1278 WeakPolarHBondContact O-CD2 3.27Å; G1207-V1281 WeakPolarHBondContact CA-O 3.5Å; G1207-V1281 PolarHBondContact N-O 3.1Å; G1207-L1282 PolarHBondContact N-O 2.69Å
1208	K	42.8	Very low	41.6	Very low	88.2 Å²	88.2	75.2 Å²	75.2	38%	0.383	41%	0.412	S	S	.	.			trans	-71	142.5	179.8	-64.4	179	-168.4	173.9	0	113.2	E1124 G1131 K1132 K1133 E1200 L1205 V1206 Y1283 E1284	E1124-K1208 IonicContact OE2-NZ 2.81Å; E1124-K1208 PolarHBondContact OE2-NZ 2.74Å; G1131-K1208 PolarHBondContact O-N 3.15Å; K1132-K1208 HydrophobicContact CB-CD 4.25Å; K1132-K1208 HydrophobicContact CB-CG 4.41Å; K1132-K1208 VanDerWaalsContact O-CA 3.25Å; K1132-K1208 WeakPolarHBondContact O-CA 3.45Å; K1132-K1208 WeakPolarHBondContact O-CB 3.4Å; K1132-K1208 WeakPolarHBondContact O-CG 3.46Å; K1133-K1208 PolarHBondContact N-O 3.19Å; E1200-K1208 HydrophobicContact CB-CD 3.89Å; E1200-K1208 HydrophobicContact CB-CG 4.19Å; E1200-K1208 WeakPolarHBondContact O-CE 3.31Å; E1200-K1208 PolarHBondContact O-NZ 2.8Å; L1205-K1208 HydrophobicContact CB-CD 4.39Å; L1205-K1208 HydrophobicContact CB-CG 4.47Å; L1205-K1208 HydrophobicContact CD1-CD 3.9Å; V1206-K1208 HydrophobicContact CG1-CG 3.98Å; V1206-K1208 WeakPolarHBondContact O-CG 3.38Å; V1206-K1208 PolarHBondContact O-N 3.26Å; K1208-Y1283 HydrophobicContact CB-CD1 3.87Å; K1208-Y1283 HydrophobicContact CB-CE1 4.04Å; K1208-Y1283 WeakPolarHBondContact CD-O 3.24Å; K1208-Y1283 WeakPolarHBondContact CE-O 3.35Å; K1208-Y1283 PolarHBondContact NZ-O 3.07Å; K1208-Y1283 WeakPolarHBondContact O-CA 3.32Å; K1208-E1284 WeakPolarHBondContact CB-O 3.47Å; K1208-E1284 WeakPolarHBondContact CD-O 3.35Å; K1208-E1284 IonicContact NZ-OE1 3.62Å; K1208-E1284 PolarHBondContact NZ-OE1 2.89Å; K1208-E1284 PolarHBondContact O-N 3.41Å
1209	K	44.5	Very low	40.8	Very low	92.8 Å²	92.8	77.6 Å²	77.6	40%	0.403	42%	0.423	S	S	.	.			trans	-120.1	122.9	176.4	-102.6	-174.2	-174.5	167.5	0	111.6	K1133 L1134 H1198 G1207 L1274 T1275 E1284 N1285 V1286 H1350	K1133-K1209 HydrophobicContact CG-CB 4.22Å; K1133-K1209 WeakPolarHBondContact CG-O 3.42Å; L1134-K1209 PolarHBondContact N-O 3.49Å; L1134-K1209 VanDerWaalsContact N-O 3.15Å; H1198-K1209 VanDerWaalsContact CB-O 3.32Å; H1198-K1209 WeakPolarHBondContact CB-O 3.1Å; H1198-K1209 VanDerWaalsContact CG-O 3.24Å; H1198-K1209 PolarHBondContact ND1-N 2.88Å; G1207-K1209 WeakPolarHBondContact O-CG 3.12Å; K1209-L1274 VanDerWaalsContact C-CB 3.45Å; K1209-L1274 HydrophobicContact CB-CB 3.63Å; K1209-L1274 VanDerWaalsContact CD-CA 3.46Å; K1209-L1274 HydrophobicContact CD-CB 3.27Å; K1209-L1274 HydrophobicContact CD-CD1 4.11Å; K1209-L1274 HydrophobicContact CD-CD2 3.5Å; K1209-L1274 VanDerWaalsContact CD-CD2 3.5Å; K1209-L1274 HydrophobicContact CD-CG 3.77Å; K1209-L1274 HydrophobicContact CG-CB 4.01Å; K1209-L1274 VanDerWaalsContact NZ-CD2 3.32Å; K1209-T1275 VanDerWaalsContact CD-C 3.42Å; K1209-T1275 WeakPolarHBondContact CE-O 2.87Å; K1209-T1275 VanDerWaalsContact NZ-C 3.29Å; K1209-T1275 PolarHBondContact NZ-O 2.74Å; K1209-T1275 PolarHBondContact NZ-OG1 2.71Å; K1209-E1284 VanDerWaalsContact CE-OE2 3.23Å; K1209-E1284 WeakPolarHBondContact CE-OE2 3.18Å; K1209-E1284 IonicContact NZ-OE1 2.65Å; K1209-E1284 PolarHBondContact NZ-OE1 2.84Å; K1209-E1284 IonicContact NZ-OE2 3Å; K1209-E1284 PolarHBondContact NZ-OE2 2.81Å; K1209-N1285 WeakPolarHBondContact CA-O 3.44Å; K1209-N1285 HydrophobicContact CB-CB 4.29Å; K1209-N1285 HydrophobicContact CD-CB 4.15Å; K1209-N1285 WeakPolarHBondContact CD-OD1 3.14Å; K1209-N1285 WeakPolarHBondContact CE-ND2 3.24Å; K1209-N1285 WeakPolarHBondContact CE-OD1 3.45Å; K1209-N1285 HydrophobicContact CG-CB 4.15Å; K1209-N1285 PolarHBondContact NZ-OD1 2.77Å; K1209-V1286 PolarHBondContact O-N 2.84Å; K1209-H1350 PolarHBondContact NZ-O 2.58Å
1210	L	44.7	Very low	40.3	Very low	67.6 Å²	67.6	78 Å²	78	35%	0.354	42%	0.423	S	S	.	.			trans	-109.5	138.9	174.3	-59.1	117.8	0	0	0	110	K1133 L1134 L1196 H1198 H1250 V1272 L1274 Y1283 N1285 V1286 Q1287	K1133-L1210 WeakPolarHBondContact CD-O 3.27Å; K1133-L1210 PolarHBondContact NZ-O 3.29Å; K1133-L1210 WeakPolarHBondContact O-CB 3.38Å; K1133-L1210 PolarHBondContact O-N 2.99Å; L1134-L1210 HydrophobicContact CB-CD2 3.76Å; L1134-L1210 HydrophobicContact CD1-CD2 3.79Å; L1134-L1210 HydrophobicContact CD2-CB 3.88Å; L1134-L1210 HydrophobicContact CD2-CD1 3.79Å; L1134-L1210 HydrophobicContact CD2-CD2 3.97Å; L1134-L1210 HydrophobicContact CD2-CG 4.09Å; L1134-L1210 HydrophobicContact CG-CD2 3.89Å; L1196-L1210 HydrophobicContact CD2-CD2 4.18Å; H1198-L1210 HydrophobicContact CB-CB 3.94Å; H1198-L1210 HydrophobicContact CB-CG 3.83Å; L1210-H1250 WeakPolarHBondContact CB-NE2 3.46Å; L1210-H1250 WeakPolarHBondContact CD2-NE2 3.45Å; L1210-V1272 WeakPolarHBondContact O-CG1 3.14Å; L1210-L1274 HydrophobicContact CB-CD1 4.26Å; L1210-L1274 HydrophobicContact CD1-CD1 4.16Å; L1210-L1274 HydrophobicContact CD1-CD2 3.69Å; L1210-L1274 HydrophobicContact CD1-CG 4.45Å; L1210-L1274 WeakPolarHBondContact O-CB 3.23Å; L1210-L1274 WeakPolarHBondContact O-CD1 3.37Å; L1210-L1274 WeakPolarHBondContact O-CG 3.3Å; L1210-Y1283 HydrophobicContact CD1-CD1 4.18Å; L1210-Y1283 HydrophobicContact CD1-CE1 3.68Å; L1210-Y1283 HydrophobicContact CD2-CE1 4.38Å; L1210-Y1283 HydrophobicContact CG-CD1 4.18Å; L1210-Y1283 HydrophobicContact CG-CE1 3.96Å; L1210-N1285 PolarHBondContact N-O 3.41Å; L1210-N1285 VanDerWaalsContact N-O 3.09Å; L1210-V1286 HydrophobicContact CB-CG1 4.2Å; L1210-V1286 HydrophobicContact CB-CG2 4.44Å; L1210-V1286 HydrophobicContact CD1-CG2 4.42Å; L1210-Q1287 PolarHBondContact O-N 3.09Å; L1210-Q1287 VanDerWaalsContact O-N 3.13Å
1211	Q	44	Very low	39.6	Very low	96 Å²	96	80 Å²	80	45%	0.449	44%	0.437	S	S	.	.			trans	-143.2	138.4	165.7	-172.7	163.1	10.8	0	0	110.7	L1134 Q1135 A1136 L1196 T1213 V1272 D1273 Q1287 T1324 V1325 H1326	L1134-Q1211 PolarHBondContact O-N 2.97Å; Q1135-Q1211 WeakPolarHBondContact CA-O 3.43Å; Q1135-Q1211 HydrophobicContact CG-CB 4.45Å; Q1135-Q1211 HydrophobicContact CG-CG 4.49Å; A1136-Q1211 PolarHBondContact N-O 2.89Å; L1196-Q1211 WeakPolarHBondContact CB-O 2.99Å; L1196-Q1211 HydrophobicContact CD1-CB 3.47Å; L1196-Q1211 VanDerWaalsContact CD1-CB 3.47Å; L1196-Q1211 HydrophobicContact CD1-CG 3.35Å; L1196-Q1211 HydrophobicContact CD2-CB 4.43Å; L1196-Q1211 WeakPolarHBondContact CD2-O 3.07Å; L1196-Q1211 WeakPolarHBondContact CG-O 3.06Å; Q1211-T1213 WeakPolarHBondContact CG-OG1 3.2Å; Q1211-T1213 PolarHBondContact NE2-OG1 3.03Å; Q1211-V1272 WeakPolarHBondContact CA-O 3Å; Q1211-V1272 WeakPolarHBondContact CB-O 3.26Å; Q1211-V1272 WeakPolarHBondContact CG-O 2.86Å; Q1211-V1272 PolarHBondContact NE2-O 2.79Å; Q1211-D1273 VanDerWaalsContact CD-CG 3.47Å; Q1211-D1273 PolarHBondContact NE2-OD1 2.97Å; Q1211-D1273 PolarHBondContact NE2-OD2 3.26Å; Q1211-D1273 PolarHBondContact OE1-OD2 2.89Å; Q1211-Q1287 VanDerWaalsContact CA-O 3.32Å; Q1211-Q1287 WeakPolarHBondContact CA-O 3.16Å; Q1211-T1324 HydrophobicContact CB-CG2 4Å; Q1211-T1324 HydrophobicContact CG-CG2 4.38Å; Q1211-T1324 WeakPolarHBondContact CG-OG1 2.99Å; Q1211-T1324 PolarHBondContact NE2-OG1 2.77Å; Q1211-T1324 WeakPolarHBondContact O-CB 3.25Å; Q1211-V1325 CarbonylContact O-C 3.56Å; Q1211-H1326 WeakPolarHBondContact O-CB 3.36Å; Q1211-H1326 PolarHBondContact O-CD2 3.43Å; Q1211-H1326 PolarHBondContact O-N 2.99Å
1212	A	41.5	Very low	39.5	Very low	39.2 Å²	39.2	76 Å²	76	32%	0.324	43%	0.429	S	S	.	.			trans	-124.9	155.4	171.6	0	0	0	0	0	109.7	L1196 T1248 V1249 G1271 V1272 Q1287 T1289 T1324 H1326	L1196-A1212 VanDerWaalsContact CB-CA 3.42Å; L1196-A1212 HydrophobicContact CB-CB 3.78Å; A1212-T1248 HydrophobicContact CB-CG2 3.84Å; A1212-T1248 VanDerWaalsContact O-CA 3.29Å; A1212-T1248 WeakPolarHBondContact O-CA 3.08Å; A1212-T1248 WeakPolarHBondContact O-CG2 3.43Å; A1212-T1248 PolarHBondContact O-OG1 2.79Å; A1212-V1249 HydrophobicContact CB-CB 3.83Å; A1212-V1249 HydrophobicContact CB-CG2 3.96Å; A1212-G1271 WeakPolarHBondContact CB-O 3.44Å; A1212-V1272 HydrophobicContact CB-CB 4Å; A1212-V1272 HydrophobicContact CB-CG2 3.62Å; A1212-V1272 VanDerWaalsContact N-CB 3.28Å; A1212-V1272 PolarHBondContact N-O 3.21Å; A1212-V1272 PolarHBondContact O-N 3.35Å; A1212-V1272 VanDerWaalsContact O-O 3.05Å; A1212-Q1287 PolarHBondContact N-O 2.61Å; A1212-T1289 PolarHBondContact O-N 2.99Å; A1212-T1324 VanDerWaalsContact C-CB 3.48Å; A1212-T1324 CarbonylContact C-O 3.55Å; A1212-T1324 PolarHBondContact N-OG1 2.87Å; A1212-T1324 PolarHBondContact O-OG1 3.08Å; A1212-H1326 HydrophobicContact CB-CB 4.15Å; A1212-H1326 WeakPolarHBondContact CB-O 3.28Å
1213	T	43.7	Very low	39.2	Very low	55 Å²	55	76.2 Å²	76.2	34%	0.337	43%	0.428	S	S	.	.			trans	-148.7	133.7	175.8	-61	0	0	0	0	110.3	A1136 T1137 M1138 V1194 Q1211 R1215 G1247 Q1256 V1270 T1289 G1323 T1324 V1325	A1136-T1213 PolarHBondContact O-N 3.04Å; T1137-T1213 CarbonylContact C-O 3.57Å; T1137-T1213 VanDerWaalsContact CA-O 3.24Å; T1137-T1213 WeakPolarHBondContact CA-O 3.45Å; M1138-T1213 PolarHBondContact N-O 2.64Å; V1194-T1213 CarbonylContact C-O 3.18Å; V1194-T1213 VanDerWaalsContact C-O 3.24Å; V1194-T1213 VanDerWaalsContact CB-C 3.42Å; V1194-T1213 HydrophobicContact CB-CG2 4.2Å; V1194-T1213 WeakPolarHBondContact CB-O 3.28Å; V1194-T1213 HydrophobicContact CG2-CG2 3.5Å; Q1211-T1213 WeakPolarHBondContact CG-OG1 3.2Å; Q1211-T1213 PolarHBondContact NE2-OG1 3.03Å; T1213-R1215 HydrophobicContact CG2-CG 4.36Å; T1213-G1247 WeakPolarHBondContact CA-O 3.41Å; T1213-G1247 VanDerWaalsContact CB-O 3.27Å; T1213-G1247 WeakPolarHBondContact CB-O 3.45Å; T1213-G1247 PolarHBondContact OG1-O 3.01Å; T1213-Q1256 PolarHBondContact O-NE2 2.92Å; T1213-V1270 HydrophobicContact CG2-CB 3.95Å; T1213-V1270 HydrophobicContact CG2-CG1 3.84Å; T1213-V1270 HydrophobicContact CG2-CG2 3.81Å; T1213-T1289 CarbonylContact C-O 3.33Å; T1213-T1289 VanDerWaalsContact CA-O 3.25Å; T1213-T1289 WeakPolarHBondContact CA-O 3.48Å; T1213-G1323 WeakPolarHBondContact OG1-CA 3.23Å; T1213-T1324 WeakPolarHBondContact CA-O 3.31Å; T1213-T1324 VanDerWaalsContact CB-N 3.26Å; T1213-T1324 WeakPolarHBondContact CB-O 3.36Å; T1213-T1324 PolarHBondContact N-O 2.96Å; T1213-T1324 PolarHBondContact OG1-N 2.74Å; T1213-V1325 WeakPolarHBondContact O-CG2 3.24Å
1214	M	41.7	Very low	38.9	Very low	77.2 Å²	77.2	76.7 Å²	76.7	38%	0.38	42%	0.422	S	S	.	.			trans	-112	154	165.6	-131.6	174.8	117.2	0	0	109.7	M1138 V1179 Q1180 T1181 T1191 N1193 V1194 Q1216 G1247 V1249 Q1256 T1267 S1269 V1270 T1289 M1290 R1291	M1138-M1214 HydrophobicContact CB-CG 4.42Å; M1138-M1214 HydrophobicContact SD-CG 4.43Å; V1179-M1214 HydrophobicContact CG1-CE 3.73Å; V1179-M1214 HydrophobicContact CG1-SD 4.41Å; Q1180-M1214 HydrophobicContact CB-CB 3.65Å; Q1180-M1214 HydrophobicContact CB-CG 3.69Å; Q1180-M1214 HydrophobicContact CB-SD 3.61Å; Q1180-M1214 PolarHBondContact N-SD 2.6Å; Q1180-M1214 PolarHBondContact NE2-O 3.4Å; Q1180-M1214 PolarHBondContact OE1-O 2.85Å; Q1180-M1214 VanDerWaalsContact OE1-O 3.06Å; T1181-M1214 HydrophobicContact CG2-CE 3.69Å; T1191-M1214 HydrophobicContact CG2-SD 4.13Å; N1193-M1214 WeakPolarHBondContact OD1-CG 3.27Å; V1194-M1214 HydrophobicContact CG2-CG 4.24Å; V1194-M1214 HydrophobicContact CG2-SD 4.06Å; V1194-M1214 VanDerWaalsContact N-CA 3.34Å; M1214-Q1216 HydrophobicContact CE-CB 4.41Å; M1214-G1247 VanDerWaalsContact O-CA 3.26Å; M1214-G1247 WeakPolarHBondContact O-CA 3.16Å; M1214-V1249 HydrophobicContact CB-CG2 4.04Å; M1214-Q1256 HydrophobicContact CB-CG 4.35Å; M1214-Q1256 VanDerWaalsContact CB-NE2 3.32Å; M1214-Q1256 HydrophobicContact CE-CB 3.85Å; M1214-Q1256 HydrophobicContact CE-CG 3.81Å; M1214-Q1256 HydrophobicContact CG-CB 4.47Å; M1214-Q1256 HydrophobicContact CG-CG 3.84Å; M1214-Q1256 HydrophobicContact SD-CB 3.49Å; M1214-Q1256 WeakPolarHBondContact SD-CB 3.18Å; M1214-Q1256 HydrophobicContact SD-CG 3.5Å; M1214-Q1256 WeakPolarHBondContact SD-CG 3.29Å; M1214-T1267 HydrophobicContact CE-CG2 4Å; M1214-T1267 HydrophobicContact SD-CG2 3.86Å; M1214-S1269 CarbonylContact C-O 2.82Å; M1214-S1269 WeakPolarHBondContact CA-O 3.5Å; M1214-S1269 WeakPolarHBondContact CB-O 3.49Å; M1214-S1269 WeakPolarHBondContact CB-OG 2.99Å; M1214-S1269 WeakPolarHBondContact CG-OG 3.34Å; M1214-S1269 PolarHBondContact N-O 3.22Å; M1214-S1269 CarbonylContact O-C 2.78Å; M1214-S1269 PolarHBondContact SD-OG 3.13Å; M1214-V1270 HydrophobicContact CB-CG1 4.34Å; M1214-V1270 HydrophobicContact CB-CG2 4.15Å; M1214-V1270 VanDerWaalsContact O-CA 3.31Å; M1214-V1270 WeakPolarHBondContact O-CA 3.49Å; M1214-V1270 WeakPolarHBondContact O-CG2 3.13Å; M1214-V1270 PolarHBondContact O-N 3.35Å; M1214-V1270 VanDerWaalsContact O-N 3.14Å; M1214-V1270 HydrophobicContact SD-CG2 3.77Å; M1214-T1289 PolarHBondContact N-O 3.4Å; M1214-M1290 HydrophobicContact CE-CE 3.83Å; M1214-M1290 HydrophobicContact CE-CG 4.41Å; M1214-M1290 HydrophobicContact CE-SD 4.37Å; M1214-M1290 HydrophobicContact SD-CB 4.07Å; M1214-M1290 HydrophobicContact SD-CG 3.42Å; M1214-M1290 WeakPolarHBondContact SD-CG 3.45Å; M1214-R1291 PolarHBondContact O-N 3.37Å
1215	R	43.2	Very low	38.8	Very low	123.4 Å²	123.4	77.3 Å²	77.3	47%	0.466	42%	0.423	S	S	.	.			trans	-151.6	156.8	157	-94.1	176.5	-179.5	-137.9	0.1	109.7	Q1093 M1138 R1139 Q1140 Q1169 S1170 Q1180 T1181 V1192 N1193 T1213 Q1245 S1246 V1268 S1269 V1270 R1291 Q1292 D1302	Q1093-R1215 VanDerWaalsContact CB-NH2 3.35Å; M1138-R1215 PolarHBondContact O-N 3.47Å; R1139-R1215 CarbonylContact C-O 3.52Å; R1139-R1215 WeakPolarHBondContact CA-O 3.24Å; R1139-R1215 HydrophobicContact CG-CB 4.41Å; Q1140-R1215 PolarHBondContact N-O 3.32Å; Q1169-R1215 HydrophobicContact CB-CG 4.49Å; S1170-R1215 PolarHBondContact O-NE 2.86Å; S1170-R1215 VanDerWaalsContact O-NE 3.14Å; S1170-R1215 PolarHBondContact O-NH2 2.69Å; S1170-R1215 VanDerWaalsContact O-NH2 3.11Å; Q1180-R1215 VanDerWaalsContact NE2-CD 3.32Å; Q1180-R1215 VanDerWaalsContact NE2-CG 3.33Å; Q1180-R1215 CarbonylContact O-C 3.47Å; Q1180-R1215 WeakPolarHBondContact O-CA 3.12Å; T1181-R1215 WeakPolarHBondContact CA-O 3.3Å; V1192-R1215 VanDerWaalsContact C-CA 3.47Å; V1192-R1215 CarbonylContact C-O 3.54Å; V1192-R1215 HydrophobicContact CB-CB 3.23Å; V1192-R1215 HydrophobicContact CB-CG 3.9Å; V1192-R1215 HydrophobicContact CG1-CB 3.46Å; V1192-R1215 VanDerWaalsContact CG1-CB 3.46Å; V1192-R1215 HydrophobicContact CG1-CG 3.9Å; V1192-R1215 HydrophobicContact CG2-CB 4.47Å; V1192-R1215 CarbonylContact O-C 3.36Å; N1193-R1215 VanDerWaalsContact CA-O 3.29Å; N1193-R1215 WeakPolarHBondContact CA-O 3.46Å; N1193-R1215 VanDerWaalsContact N-CB 3.35Å; N1193-R1215 PolarHBondContact O-N 3.22Å; T1213-R1215 HydrophobicContact CG2-CG 4.36Å; R1215-Q1245 HydrophobicContact CB-CG 4.26Å; R1215-Q1245 HydrophobicContact CG-CG 4.43Å; R1215-S1246 WeakPolarHBondContact CD-O 3.1Å; R1215-V1268 HydrophobicContact CG-CG1 4.33Å; R1215-S1269 VanDerWaalsContact CA-N 3.31Å; R1215-S1269 VanDerWaalsContact N-CB 3.34Å; R1215-S1269 WeakPolarHBondContact O-CB 3.46Å; R1215-V1270 HydrophobicContact CG-CG2 3.99Å; R1215-R1291 WeakPolarHBondContact CA-O 3.36Å; R1215-R1291 HydrophobicContact CG-CB 4.38Å; R1215-Q1292 VanDerWaalsContact C-OE1 3.32Å; R1215-Q1292 PolarHBondContact O-NE2 3.15Å; R1215-Q1292 PolarHBondContact O-OE1 3.49Å; R1215-D1302 IonicContact CZ-OD2 3.81Å; R1215-D1302 IonicContact NH1-OD2 3.21Å; R1215-D1302 PolarHBondContact NH1-OD2 3.27Å; R1215-D1302 IonicContact NH2-OD2 2.61Å; R1215-D1302 PolarHBondContact NH2-OD2 3.27Å
1216	Q	41.3	Very low	38.5	Very low	78.4 Å²	78.4	77.6 Å²	77.6	37%	0.366	43%	0.425	S	S	.	.			trans	-149.9	148.8	171.2	-171.2	163.4	-5.5	0	0	109.3	Q1140 Q1169 T1181 I1182 E1184 T1191 V1192 M1214 V1218 Q1245 P1259 F1265 T1267 V1268 R1291 Q1292 S1293	Q1140-Q1216 HydrophobicContact CB-CG 4.45Å; Q1140-Q1216 CarbonylContact O-C 3.58Å; Q1140-Q1216 VanDerWaalsContact O-CA 3.31Å; Q1140-Q1216 WeakPolarHBondContact O-CA 3.42Å; Q1169-Q1216 PolarHBondContact OE1-O 2.91Å; T1181-Q1216 HydrophobicContact CG2-CB 3.73Å; T1181-Q1216 HydrophobicContact CG2-CG 4.27Å; I1182-Q1216 WeakPolarHBondContact CG1-O 2.89Å; I1182-Q1216 PolarHBondContact N-O 3.4Å; E1184-Q1216 PolarHBondContact O-NE2 3.41Å; E1184-Q1216 PolarHBondContact OE1-NE2 2.84Å; T1191-Q1216 HydrophobicContact CG2-CG 4.49Å; V1192-Q1216 WeakPolarHBondContact O-CA 3.4Å; V1192-Q1216 PolarHBondContact O-N 3.24Å; M1214-Q1216 HydrophobicContact CE-CB 4.41Å; Q1216-V1218 HydrophobicContact CG-CG2 4.49Å; Q1216-Q1245 VanDerWaalsContact C-OE1 3.32Å; Q1216-Q1245 VanDerWaalsContact CA-OE1 3.23Å; Q1216-Q1245 PolarHBondContact O-OE1 3.33Å; Q1216-P1259 VanDerWaalsContact NE2-CD 3.33Å; Q1216-F1265 HydrophobicContact CG-CD1 4.43Å; Q1216-F1265 HydrophobicContact CG-CE1 4.34Å; Q1216-F1265 VanDerWaalsContact OE1-CD1 3.29Å; Q1216-T1267 HydrophobicContact CB-CG2 3.72Å; Q1216-T1267 HydrophobicContact CG-CG2 4.23Å; Q1216-T1267 VanDerWaalsContact O-CB 3.24Å; Q1216-T1267 WeakPolarHBondContact O-CB 3.02Å; Q1216-T1267 WeakPolarHBondContact O-CG2 3.02Å; Q1216-V1268 PolarHBondContact O-N 3.22Å; Q1216-R1291 PolarHBondContact N-O 3.03Å; Q1216-Q1292 HydrophobicContact CB-CB 3.92Å; Q1216-Q1292 HydrophobicContact CB-CG 4.45Å; Q1216-Q1292 HydrophobicContact CG-CB 3.8Å; Q1216-Q1292 VanDerWaalsContact O-CA 3.31Å; Q1216-Q1292 WeakPolarHBondContact O-CA 3.45Å; Q1216-S1293 PolarHBondContact O-N 2.72Å; Q1216-S1293 VanDerWaalsContact O-N 3.14Å
1217	S	39.9	Very low	38.4	Very low	58 Å²	58	77.4 Å²	77.4	41%	0.406	43%	0.425	S	S	.	.			trans	-130	154.1	170.8	41.3	0	0	0	0	110.1	Q1140 S1141 V1142 I1182 H1190 T1191 Q1245 H1266 T1267 S1293 V1294	Q1140-S1217 PolarHBondContact O-N 3.02Å; S1141-S1217 WeakPolarHBondContact CA-O 3.43Å; V1142-S1217 PolarHBondContact N-O 3.05Å; V1142-S1217 VanDerWaalsContact N-O 3.15Å; I1182-S1217 WeakPolarHBondContact O-CA 3.03Å; I1182-S1217 PolarHBondContact O-N 2.84Å; H1190-S1217 CarbonylContact O-C 3.58Å; H1190-S1217 WeakPolarHBondContact O-CA 3.26Å; H1190-S1217 WeakPolarHBondContact O-CB 3.36Å; H1190-S1217 PolarHBondContact O-OG 2.94Å; T1191-S1217 VanDerWaalsContact CA-OG 3.24Å; T1191-S1217 WeakPolarHBondContact CA-OG 3.49Å; T1191-S1217 PolarHBondContact N-OG 3.05Å; T1191-S1217 VanDerWaalsContact N-OG 3.14Å; T1191-S1217 PolarHBondContact OG1-O 3.33Å; T1191-S1217 VanDerWaalsContact OG1-O 3.08Å; S1217-Q1245 PolarHBondContact OG-NE2 3.33Å; S1217-H1266 PolarHBondContact OG-CE1 2.75Å; S1217-H1266 VanDerWaalsContact OG-CE1 3.23Å; S1217-T1267 VanDerWaalsContact CA-CB 3.49Å; S1217-T1267 WeakPolarHBondContact CA-OG1 3.46Å; S1217-T1267 WeakPolarHBondContact CB-OG1 3.34Å; S1217-S1293 VanDerWaalsContact CA-O 3.31Å; S1217-S1293 WeakPolarHBondContact CA-O 3.48Å; S1217-S1293 CarbonylContact O-C 3.28Å; S1217-V1294 PolarHBondContact O-N 2.93Å
1218	V	41.1	Very low	38	Very low	75.4 Å²	75.4	81.8 Å²	81.8	46%	0.457	44%	0.436	S	S	.	.			trans	-133.4	125.4	169.6	-171.4	0	0	0	0	109.6	V1142 F1189 H1190 T1191 Q1216 N1220 F1265 S1293 V1294 E1295	V1142-V1218 HydrophobicContact CB-CG2 4.37Å; V1142-V1218 WeakPolarHBondContact O-CA 3.17Å; F1189-V1218 VanDerWaalsContact CB-O 3.31Å; F1189-V1218 WeakPolarHBondContact CB-O 3.39Å; F1189-V1218 HydrophobicContact CD1-CB 4.38Å; F1189-V1218 HydrophobicContact CE2-CG2 3.9Å; F1189-V1218 HydrophobicContact CZ-CG2 3.78Å; F1189-V1218 CarbonylContact O-C 3.06Å; F1189-V1218 PolarHBondContact O-N 3.23Å; F1189-V1218 VanDerWaalsContact O-N 3.15Å; H1190-V1218 CarbonylContact O-C 3.58Å; H1190-V1218 WeakPolarHBondContact O-CA 3.35Å; H1190-V1218 PolarHBondContact O-N 3.46Å; T1191-V1218 WeakPolarHBondContact OG1-CA 3.5Å; T1191-V1218 PolarHBondContact OG1-N 3.28Å; Q1216-V1218 HydrophobicContact CG-CG2 4.49Å; V1218-N1220 WeakPolarHBondContact CG1-OD1 3.12Å; V1218-N1220 PolarHBondContact O-N 3.15Å; V1218-N1220 PolarHBondContact O-ND2 3.35Å; V1218-F1265 HydrophobicContact CB-CZ 4.26Å; V1218-F1265 HydrophobicContact CG2-CE1 3.63Å; V1218-F1265 HydrophobicContact CG2-CZ 3.63Å; V1218-S1293 PolarHBondContact N-O 2.98Å; V1218-S1293 VanDerWaalsContact N-O 3.13Å; V1218-V1294 WeakPolarHBondContact CA-O 3.35Å; V1218-V1294 HydrophobicContact CB-CG2 4.43Å; V1218-V1294 HydrophobicContact CG2-CB 4.31Å; V1218-V1294 HydrophobicContact CG2-CG1 4.03Å; V1218-V1294 HydrophobicContact CG2-CG2 4.17Å; V1218-V1294 WeakPolarHBondContact O-CA 3.42Å; V1218-E1295 VanDerWaalsContact CG2-N 3.29Å; V1218-E1295 PolarHBondContact O-N 3.04Å
1219	E	35.9	Very low	37.6	Very low	92.8 Å²	92.8	81.2 Å²	81.2	43%	0.434	45%	0.447	S	S	.	.			trans	-96.4	129	178.7	-131.9	167.8	143.4	0	0	111.1	F1113 H1114 V1142 E1143 N1144 T1162 F1164 F1189 H1190 T1191 T1221 T1238 E1295 N1296	F1113-E1219 CarbonylContact C-O 3.56Å; F1113-E1219 WeakPolarHBondContact CA-O 3.48Å; F1113-E1219 WeakPolarHBondContact CB-O 3.23Å; H1114-E1219 PolarHBondContact N-O 3.21Å; V1142-E1219 VanDerWaalsContact C-CD 3.49Å; V1142-E1219 VanDerWaalsContact C-OE2 3.23Å; V1142-E1219 HydrophobicContact CB-CB 3.42Å; V1142-E1219 VanDerWaalsContact CB-CB 3.42Å; V1142-E1219 HydrophobicContact CB-CG 4.44Å; V1142-E1219 HydrophobicContact CG2-CB 3.06Å; V1142-E1219 HydrophobicContact CG2-CG 4.15Å; V1142-E1219 PolarHBondContact O-N 3.37Å; E1143-E1219 WeakPolarHBondContact CA-O 3.41Å; E1143-E1219 WeakPolarHBondContact CA-OE2 3.18Å; E1143-E1219 VanDerWaalsContact CG-OE2 3.22Å; E1143-E1219 WeakPolarHBondContact CG-OE2 3.19Å; E1143-E1219 PolarHBondContact N-OE2 3.3Å; N1144-E1219 PolarHBondContact N-O 2.83Å; T1162-E1219 WeakPolarHBondContact CG2-OE1 3.29Å; F1164-E1219 WeakPolarHBondContact CE2-OE1 3.25Å; F1189-E1219 VanDerWaalsContact O-CA 3.25Å; F1189-E1219 WeakPolarHBondContact O-CA 3.39Å; F1189-E1219 PolarHBondContact O-N 3.21Å; H1190-E1219 WeakPolarHBondContact CA-OE1 3.49Å; H1190-E1219 VanDerWaalsContact CB-OE1 3.26Å; H1190-E1219 WeakPolarHBondContact CB-OE1 3.25Å; H1190-E1219 IonicContact CE1-OE1 2.8Å; H1190-E1219 IonicContact CG-OE1 2.67Å; H1190-E1219 PolarHBondContact N-OE1 3.31Å; H1190-E1219 IonicContact ND1-OE1 3.92Å; H1190-E1219 PolarHBondContact ND1-OE1 3.41Å; H1190-E1219 PolarHBondContact O-N 3.46Å; T1191-E1219 PolarHBondContact OG1-N 3.1Å; E1219-T1221 HydrophobicContact CG-CG2 4.38Å; E1219-T1221 VanDerWaalsContact CG-N 3.28Å; E1219-T1221 WeakPolarHBondContact CG-OG1 3.14Å; E1219-T1221 VanDerWaalsContact OE1-CB 3.29Å; E1219-T1221 WeakPolarHBondContact OE1-CB 3.32Å; E1219-T1221 PolarHBondContact OE1-OG1 3.21Å; E1219-T1221 WeakPolarHBondContact OE2-CB 3.45Å; E1219-T1221 WeakPolarHBondContact OE2-CG2 3.06Å; E1219-T1221 PolarHBondContact OE2-OG1 3.34Å; E1219-T1238 VanDerWaalsContact CD-CG2 3.46Å; E1219-T1238 HydrophobicContact CG-CG2 4.49Å; E1219-T1238 WeakPolarHBondContact OE2-CB 3.47Å; E1219-T1238 WeakPolarHBondContact OE2-CG2 3.41Å; E1219-T1238 PolarHBondContact OE2-OG1 2.97Å; E1219-E1295 WeakPolarHBondContact CA-O 3.42Å; E1219-E1295 HydrophobicContact CB-CG 4.45Å; E1219-E1295 CarbonylContact O-C 3.6Å; E1219-E1295 WeakPolarHBondContact O-CA 3.27Å; E1219-N1296 PolarHBondContact O-N 2.85Å
1220	N	36.2	Very low	36.9	Very low	76 Å²	76	83.5 Å²	83.5	41%	0.406	46%	0.459	S	S	.	.			trans	-125.5	124.7	154.8	-91.8	-28.8	0	0	0	109.6	V1112 F1113 V1188 F1189 V1218 S1222 E1261 E1295 N1296 T1297	V1112-N1220 HydrophobicContact CB-CB 3.99Å; V1112-N1220 HydrophobicContact CG2-CB 3.77Å; V1112-N1220 CarbonylContact O-C 3.57Å; F1113-N1220 VanDerWaalsContact CA-CA 3.48Å; F1113-N1220 HydrophobicContact CB-CB 4.07Å; F1113-N1220 WeakPolarHBondContact CB-OD1 3.4Å; F1113-N1220 VanDerWaalsContact CD2-OD1 3.32Å; F1113-N1220 WeakPolarHBondContact CD2-OD1 3.14Å; V1188-N1220 CarbonylContact C-O 3.58Å; V1188-N1220 WeakPolarHBondContact CA-O 3.12Å; V1188-N1220 WeakPolarHBondContact CB-O 3.35Å; V1188-N1220 HydrophobicContact CG1-CB 3.59Å; V1188-N1220 WeakPolarHBondContact CG1-O 3.37Å; F1189-N1220 WeakPolarHBondContact CA-O 3.22Å; F1189-N1220 HydrophobicContact CB-CB 4.14Å; F1189-N1220 WeakPolarHBondContact CB-O 3.12Å; F1189-N1220 HydrophobicContact CD2-CB 3.63Å; F1189-N1220 WeakPolarHBondContact CD2-O 3.32Å; F1189-N1220 HydrophobicContact CE2-CB 4.14Å; F1189-N1220 HydrophobicContact CG-CB 4.08Å; F1189-N1220 WeakPolarHBondContact CG-O 3.41Å; F1189-N1220 PolarHBondContact N-O 3.26Å; V1218-N1220 WeakPolarHBondContact CG1-OD1 3.12Å; V1218-N1220 PolarHBondContact O-N 3.15Å; V1218-N1220 PolarHBondContact O-ND2 3.35Å; N1220-S1222 PolarHBondContact O-N 3.34Å; N1220-E1261 PolarHBondContact ND2-OE2 2.81Å; N1220-E1295 PolarHBondContact N-O 3Å; N1220-E1295 VanDerWaalsContact ND2-CD 3.32Å; N1220-E1295 PolarHBondContact ND2-OE1 3.06Å; N1220-E1295 PolarHBondContact ND2-OE2 2.83Å; N1220-N1296 WeakPolarHBondContact CA-O 3.32Å; N1220-N1296 HydrophobicContact CB-CB 4.42Å; N1220-N1296 PolarHBondContact ND2-OD1 2.94Å; N1220-N1296 PolarHBondContact OD1-O 2.78Å; N1220-N1296 PolarHBondContact OD1-OD1 3.43Å; N1220-T1297 PolarHBondContact O-N 3.14Å
1221	T	32.5	Very low	36.3	Very low	77.8 Å²	77.8	83.6 Å²	83.6	48%	0.477	46%	0.462	S	S	.	.			trans	-118	129.1	178.2	-69.6	0	0	0	0	112.7	P1111 V1112 N1144 S1146 V1188 F1189 H1190 E1219 T1223 L1235 T1297	P1111-T1221 CarbonylContact C-O 3.51Å; P1111-T1221 CarbonylContact O-C 2.92Å; V1112-T1221 PolarHBondContact N-O 3.18Å; V1112-T1221 VanDerWaalsContact N-O 3.1Å; V1112-T1221 PolarHBondContact O-N 3.43Å; N1144-T1221 PolarHBondContact O-N 2.84Å; S1146-T1221 PolarHBondContact N-O 2.72Å; V1188-T1221 WeakPolarHBondContact O-CA 3.27Å; V1188-T1221 VanDerWaalsContact O-CB 3.29Å; V1188-T1221 WeakPolarHBondContact O-CB 3.49Å; V1188-T1221 PolarHBondContact O-OG1 3.26Å; F1189-T1221 PolarHBondContact N-OG1 3.12Å; H1190-T1221 PolarHBondContact N-OG1 3.16Å; E1219-T1221 HydrophobicContact CG-CG2 4.38Å; E1219-T1221 VanDerWaalsContact CG-N 3.28Å; E1219-T1221 WeakPolarHBondContact CG-OG1 3.14Å; E1219-T1221 VanDerWaalsContact OE1-CB 3.29Å; E1219-T1221 WeakPolarHBondContact OE1-CB 3.32Å; E1219-T1221 PolarHBondContact OE1-OG1 3.21Å; E1219-T1221 WeakPolarHBondContact OE2-CB 3.45Å; E1219-T1221 WeakPolarHBondContact OE2-CG2 3.06Å; E1219-T1221 PolarHBondContact OE2-OG1 3.34Å; T1221-T1223 HydrophobicContact CG2-CG2 3.95Å; T1221-T1223 PolarHBondContact O-N 3.15Å; T1221-T1223 VanDerWaalsContact O-N 3.11Å; T1221-L1235 HydrophobicContact CG2-CD2 4.04Å; T1221-L1235 WeakPolarHBondContact O-CD1 3.21Å; T1221-T1297 WeakPolarHBondContact CA-O 3.48Å
1222	S	35.5	Very low	35.7	Very low	69.6 Å²	69.6	81.6 Å²	81.6	49%	0.487	46%	0.458	S	S	.	.			trans	-119.7	120.1	165.6	-170.7	0	0	0	0	111.3	S1146 V1188 N1220 Q1224 T1297 S1298 T1299	S1146-S1222 PolarHBondContact OG-O 2.84Å; V1188-S1222 PolarHBondContact O-N 3.47Å; N1220-S1222 PolarHBondContact O-N 3.34Å; S1222-Q1224 PolarHBondContact O-N 3.06Å; S1222-T1297 PolarHBondContact N-O 3.44Å; S1222-S1298 PolarHBondContact OG-O 3.47Å; S1222-T1299 PolarHBondContact O-N 2.96Å
1223	T	30.8	Very low	35.3	Very low	68.6 Å²	68.6	82.5 Å²	82.5	42%	0.421	46%	0.459	S	S	.	.			trans	-111.6	119.6	-176	47	0	0	0	0	111.3	E1143 N1144 S1146 T1147 L1159 T1221 T1233	E1143-T1223 HydrophobicContact CB-CG2 3.74Å; E1143-T1223 HydrophobicContact CG-CG2 3.76Å; N1144-T1223 VanDerWaalsContact C-CG2 3.49Å; N1144-T1223 WeakPolarHBondContact O-CB 3.38Å; N1144-T1223 WeakPolarHBondContact O-CG2 3.15Å; N1144-T1223 PolarHBondContact O-OG1 3.15Å; S1146-T1223 PolarHBondContact N-OG1 3.42Å; S1146-T1223 PolarHBondContact O-N 2.78Å; S1146-T1223 PolarHBondContact O-OG1 2.98Å; S1146-T1223 VanDerWaalsContact O-OG1 3.09Å; T1147-T1223 WeakPolarHBondContact CG2-OG1 3.36Å; T1147-T1223 VanDerWaalsContact O-CA 3.25Å; T1147-T1223 WeakPolarHBondContact O-CA 3.11Å; T1147-T1223 VanDerWaalsContact O-CB 3.29Å; T1147-T1223 WeakPolarHBondContact O-CB 3.49Å; L1159-T1223 WeakPolarHBondContact CD1-OG1 3.32Å; T1221-T1223 HydrophobicContact CG2-CG2 3.95Å; T1221-T1223 PolarHBondContact O-N 3.15Å; T1221-T1223 VanDerWaalsContact O-N 3.11Å; T1223-T1233 WeakPolarHBondContact O-CB 3.32Å; T1223-T1233 PolarHBondContact O-OG1 2.73Å
1224	Q	29	Very low	35.1	Very low	102 Å²	102	83.8 Å²	83.8	48%	0.477	47%	0.467	S	S	.	.			trans	-113.9	122	175.1	-171.5	177.7	-1.2	0	0	111.3	T1147 Q1148 T1149 S1222 D1226 T1257	T1147-Q1224 PolarHBondContact O-N 2.79Å; T1147-Q1224 VanDerWaalsContact O-N 3.15Å; Q1148-Q1224 CarbonylContact C-O 3.43Å; Q1148-Q1224 WeakPolarHBondContact CA-O 3Å; Q1148-Q1224 HydrophobicContact CG-CB 4.23Å; T1149-Q1224 PolarHBondContact N-O 3.29Å; S1222-Q1224 PolarHBondContact O-N 3.06Å; Q1224-D1226 PolarHBondContact NE2-OD1 2.78Å; Q1224-D1226 PolarHBondContact NE2-OD2 3.13Å; Q1224-T1257 PolarHBondContact OE1-OG1 3.21Å
1225	T	31.2	Very low	35.1	Very low	80.6 Å²	80.6	82.5 Å²	82.5	49%	0.494	46%	0.461	S	S	.	.			trans	-143.4	127.3	168.6	-53.2	0	0	0	0	110.7	T1149 Q1154 T1157 P1227 P1232 T1233 P1303	T1149-T1225 WeakPolarHBondContact O-CA 3.45Å; T1149-T1225 VanDerWaalsContact O-CB 3.32Å; T1149-T1225 WeakPolarHBondContact O-CB 3.31Å; T1149-T1225 WeakPolarHBondContact O-CG2 3.43Å; T1149-T1225 PolarHBondContact O-OG1 3.29Å; Q1154-T1225 HydrophobicContact CB-CG2 4.14Å; Q1154-T1225 HydrophobicContact CG-CG2 4.09Å; T1157-T1225 WeakPolarHBondContact OG1-CB 3.32Å; T1157-T1225 WeakPolarHBondContact OG1-CG2 3.21Å; T1157-T1225 PolarHBondContact OG1-OG1 3.28Å; T1157-T1225 VanDerWaalsContact OG1-OG1 3.05Å; T1225-P1227 WeakPolarHBondContact O-CD 3.2Å; T1225-P1232 CarbonylContact O-C 3.34Å; T1225-P1232 VanDerWaalsContact O-C 3.31Å; T1225-P1232 VanDerWaalsContact O-CA 3.32Å; T1225-P1232 WeakPolarHBondContact O-CA 3.21Å; T1225-T1233 PolarHBondContact O-N 3.11Å; T1225-P1303 HydrophobicContact CG2-CG 3.8Å
1226	D	34.8	Very low	35.2	Very low	89.6 Å²	89.6	78 Å²	78	48%	0.479	45%	0.448	S	S	.	.			trans	-103.5	140.2	174.7	-127.9	-10.6	0	0	0	111.1	Q1154 V1155 P1156 Q1224 M1228 A1229 Q1230 V1231 T1301	Q1154-D1226 WeakPolarHBondContact CB-O 3.05Å; Q1154-D1226 PolarHBondContact NE2-O 2.78Å; Q1154-D1226 PolarHBondContact NE2-OD2 3.01Å; Q1154-D1226 PolarHBondContact OE1-O 3.28Å; V1155-D1226 CarbonylContact C-O 3.29Å; P1156-D1226 WeakPolarHBondContact CA-O 3.06Å; Q1224-D1226 PolarHBondContact NE2-OD1 2.78Å; Q1224-D1226 PolarHBondContact NE2-OD2 3.13Å; D1226-M1228 VanDerWaalsContact CG-N 3.3Å; D1226-M1228 PolarHBondContact O-N 3.11Å; D1226-M1228 VanDerWaalsContact O-N 3.13Å; D1226-M1228 VanDerWaalsContact OD1-C 3.3Å; D1226-M1228 PolarHBondContact OD1-N 3.14Å; D1226-M1228 PolarHBondContact OD2-N 3.47Å; D1226-A1229 PolarHBondContact OD1-N 2.99Å; D1226-Q1230 PolarHBondContact OD1-N 2.95Å; D1226-V1231 WeakPolarHBondContact CA-O 3.2Å; D1226-T1301 WeakPolarHBondContact OD1-CG2 3.45Å; D1226-T1301 PolarHBondContact OD2-OG1 2.9Å
1227	P	31.9	Very low	35.7	Very low	74.2 Å²	74.2	77.9 Å²	77.9	48%	0.482	45%	0.447	S	S	.	.			trans	-82.5	102.4	-172.1	30.4	-35.5	0	0	0	114.1	P1151 Q1154 T1225 A1229 Q1230 V1231	P1151-P1227 HydrophobicContact CB-CG 4.46Å; Q1154-P1227 WeakPolarHBondContact CB-O 3.09Å; Q1154-P1227 PolarHBondContact N-O 3.26Å; Q1154-P1227 PolarHBondContact NE2-O 3.47Å; T1225-P1227 WeakPolarHBondContact O-CD 3.2Å; P1227-A1229 VanDerWaalsContact C-N 3.29Å; P1227-A1229 PolarHBondContact O-N 3.24Å; P1227-Q1230 WeakPolarHBondContact CD-O 3.08Å; P1227-Q1230 WeakPolarHBondContact CG-O 3.29Å; P1227-V1231 WeakPolarHBondContact CD-O 3.15Å
1228	M	32.2	Very low	36.8	Very low	136.2 Å²	136.2	76.1 Å²	76.1	67%	0.671	43%	0.433	S	S	*	.			trans	-91.3	79.8	177.1	-75.8	-169.5	67.3	0	0	113	A1153 D1226 Q1230	A1153-M1228 HydrophobicContact CB-CG 3.94Å; A1153-M1228 HydrophobicContact CB-SD 3.72Å; D1226-M1228 VanDerWaalsContact CG-N 3.3Å; D1226-M1228 PolarHBondContact O-N 3.11Å; D1226-M1228 VanDerWaalsContact O-N 3.13Å; D1226-M1228 VanDerWaalsContact OD1-C 3.3Å; D1226-M1228 PolarHBondContact OD1-N 3.14Å; D1226-M1228 PolarHBondContact OD2-N 3.47Å; M1228-Q1230 PolarHBondContact O-N 3.01Å
1229	A	33.3	Very low	37.9	Very low	75.8 Å²	75.8	73.5 Å²	73.5	63%	0.626	42%	0.417	S	S	*	.			trans	-96.9	99	175.9	0	0	0	0	0	114	D1226 P1227 V1231	D1226-A1229 PolarHBondContact OD1-N 2.99Å; P1227-A1229 VanDerWaalsContact C-N 3.29Å; P1227-A1229 PolarHBondContact O-N 3.24Å; A1229-V1231 PolarHBondContact O-N 3.04Å
1230	Q	31.1	Very low	39.6	Very low	140.4 Å²	140.4	71 Å²	71	66%	0.656	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-38.7	124.6	170.3	-59.1	-176.9	22.8	0	0	113.4	D1226 P1227 M1228 D1302 M1304 V1307	D1226-Q1230 PolarHBondContact OD1-N 2.95Å; P1227-Q1230 WeakPolarHBondContact CD-O 3.08Å; P1227-Q1230 WeakPolarHBondContact CG-O 3.29Å; M1228-Q1230 PolarHBondContact O-N 3.01Å; Q1230-D1302 PolarHBondContact NE2-OD1 2.81Å; Q1230-M1304 HydrophobicContact CG-CE 4.1Å; Q1230-V1307 HydrophobicContact CB-CG2 3.72Å; Q1230-V1307 HydrophobicContact CG-CG2 3.94Å; Q1230-V1307 WeakPolarHBondContact O-CG2 3.42Å; Q1230-V1307 VanDerWaalsContact OE1-CG2 3.3Å
1231	V	31.5	Very low	41.4	Very low	68.4 Å²	68.4	70 Å²	70	42%	0.415	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-102.9	125.9	-174.4	-173.2	0	0	0	0	110.6	Q1154 P1156 D1226 P1227 A1229 T1233 T1301 D1302	Q1154-V1231 HydrophobicContact CB-CG2 3.58Å; Q1154-V1231 WeakPolarHBondContact O-CG2 3.16Å; P1156-V1231 HydrophobicContact CB-CG1 3.85Å; P1156-V1231 HydrophobicContact CB-CG2 4.34Å; P1156-V1231 WeakPolarHBondContact CB-O 3.19Å; P1156-V1231 HydrophobicContact CG-CG1 3.97Å; D1226-V1231 WeakPolarHBondContact CA-O 3.2Å; P1227-V1231 WeakPolarHBondContact CD-O 3.15Å; A1229-V1231 PolarHBondContact O-N 3.04Å; V1231-T1233 PolarHBondContact O-N 3.24Å; V1231-T1233 VanDerWaalsContact O-N 3.12Å; V1231-T1301 HydrophobicContact CG1-CG2 4.08Å; V1231-D1302 HydrophobicContact CG2-CB 4.3Å
1232	P	31.6	Very low	43.4	Very low	54 Å²	54	68.6 Å²	68.6	35%	0.351	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-67.3	139.2	179.6	16.3	-22.2	0	0	0	113.6	T1225 V1234 Q1300 V1307	T1225-P1232 CarbonylContact O-C 3.34Å; T1225-P1232 VanDerWaalsContact O-C 3.31Å; T1225-P1232 VanDerWaalsContact O-CA 3.32Å; T1225-P1232 WeakPolarHBondContact O-CA 3.21Å; P1232-V1234 HydrophobicContact CG-CG2 4.35Å; P1232-V1234 PolarHBondContact O-N 3.02Å; P1232-Q1300 WeakPolarHBondContact CD-O 3.49Å; P1232-V1307 HydrophobicContact CB-CB 4.03Å; P1232-V1307 HydrophobicContact CB-CG1 3.91Å; P1232-V1307 HydrophobicContact CG-CB 4.25Å; P1232-V1307 HydrophobicContact CG-CG1 3.92Å
1233	T	32.9	Very low	45.3	Very low	58.2 Å²	58.2	65.9 Å²	65.9	36%	0.357	37%	0.372	S	S	.	.			trans	-73.4	116.3	169.9	-45.6	0	0	0	0	110.7	T1157 L1159 T1223 T1225 V1231 L1235 T1299	T1157-T1233 WeakPolarHBondContact O-CA 3.32Å; T1157-T1233 WeakPolarHBondContact O-CG2 3.12Å; L1159-T1233 HydrophobicContact CD1-CG2 4.34Å; T1223-T1233 WeakPolarHBondContact O-CB 3.32Å; T1223-T1233 PolarHBondContact O-OG1 2.73Å; T1225-T1233 PolarHBondContact O-N 3.11Å; V1231-T1233 PolarHBondContact O-N 3.24Å; V1231-T1233 VanDerWaalsContact O-N 3.12Å; T1233-L1235 PolarHBondContact O-N 3.21Å; T1233-T1299 VanDerWaalsContact O-CB 3.32Å; T1233-T1299 WeakPolarHBondContact O-CB 3.33Å; T1233-T1299 WeakPolarHBondContact O-CG2 3.07Å
1234	V	39.1	Very low	47.2	Very low	82.4 Å²	82.4	64.9 Å²	64.9	50%	0.499	37%	0.365	S	S	.	.	B	Isolated β-bridge	trans	-96	111.3	173.5	-177.7	0	0	0	0	109.2	T1157 V1158 L1159 P1232	T1157-V1234 PolarHBondContact O-N 2.8Å; V1158-V1234 HydrophobicContact CG2-CB 4.45Å; L1159-V1234 WeakPolarHBondContact CB-O 3Å; L1159-V1234 PolarHBondContact N-O 3.35Å; P1232-V1234 HydrophobicContact CG-CG2 4.35Å; P1232-V1234 PolarHBondContact O-N 3.02Å
1235	L	43.2	Very low	49.1	Very low	50.2 Å²	50.2	62.1 Å²	62.1	26%	0.263	35%	0.352	S	S	.	.			trans	-71.4	152.8	175.2	-76.2	155	0	0	0	111.6	L1159 T1221 T1233 K1237 T1297 S1298 T1299 T1309 L1311 P1312	L1159-L1235 HydrophobicContact CD1-CD2 3.76Å; L1159-L1235 HydrophobicContact CD1-CG 4.23Å; T1221-L1235 HydrophobicContact CG2-CD2 4.04Å; T1221-L1235 WeakPolarHBondContact O-CD1 3.21Å; T1233-L1235 PolarHBondContact O-N 3.21Å; L1235-K1237 PolarHBondContact O-N 3.04Å; L1235-T1297 HydrophobicContact CB-CG2 3.59Å; L1235-T1297 HydrophobicContact CD1-CG2 3.5Å; L1235-T1297 HydrophobicContact CG-CG2 4.06Å; L1235-S1298 VanDerWaalsContact CD1-C 3.47Å; L1235-S1298 WeakPolarHBondContact CD1-O 3.48Å; L1235-T1299 HydrophobicContact CB-CG2 4.32Å; L1235-T1299 HydrophobicContact CD1-CG2 3.7Å; L1235-T1299 HydrophobicContact CG-CG2 3.67Å; L1235-T1299 PolarHBondContact N-OG1 2.74Å; L1235-T1309 HydrophobicContact CD1-CG2 3.8Å; L1235-L1311 HydrophobicContact CD1-CD2 4.04Å; L1235-L1311 HydrophobicContact CD1-CG 4.29Å; L1235-P1312 HydrophobicContact CB-CB 4.12Å; L1235-P1312 HydrophobicContact CB-CG 4.16Å; L1235-P1312 WeakPolarHBondContact O-CG 3.5Å
1236	P	44.4	Very low	51	Low	28.4 Å²	28.4	60.5 Å²	60.5	18%	0.184	34%	0.344	C	S	.	.			trans	-68.9	138.9	-179.2	18.8	-23	0	0	0	112.6	L1159 P1160 K1161 T1238 P1312	L1159-P1236 HydrophobicContact CB-CB 4.19Å; L1159-P1236 HydrophobicContact CB-CG 4.01Å; L1159-P1236 WeakPolarHBondContact O-CG 3.4Å; P1160-P1236 WeakPolarHBondContact O-CB 3.39Å; K1161-P1236 HydrophobicContact CB-CB 4.31Å; P1236-T1238 PolarHBondContact O-N 3.08Å; P1236-P1312 WeakPolarHBondContact O-CB 3.35Å; P1236-P1312 VanDerWaalsContact O-CG 3.26Å; P1236-P1312 WeakPolarHBondContact O-CG 3.18Å
1237	K	52.4	Low	52.7	Low	77.6 Å²	77.6	57.1 Å²	57.1	34%	0.337	33%	0.33	S	S	.	.			trans	-71	109.2	165.4	-172.3	-160.1	176.5	-132.3	0	109.8	K1161 T1162 L1235 T1239 P1312 K1313 T1315	K1161-K1237 WeakPolarHBondContact CD-O 3.43Å; K1161-K1237 VanDerWaalsContact CE-O 3.24Å; K1161-K1237 WeakPolarHBondContact CE-O 3.4Å; K1161-K1237 HydrophobicContact CG-CB 4.43Å; K1161-K1237 VanDerWaalsContact CG-O 3.22Å; K1161-K1237 WeakPolarHBondContact CG-O 3.31Å; K1161-K1237 PolarHBondContact NZ-O 2.81Å; T1162-K1237 PolarHBondContact N-O 3.01Å; T1162-K1237 VanDerWaalsContact O-O 3.05Å; L1235-K1237 PolarHBondContact O-N 3.04Å; K1237-T1239 WeakPolarHBondContact CD-OG1 3.48Å; K1237-T1239 VanDerWaalsContact CE-OG1 3.25Å; K1237-T1239 WeakPolarHBondContact CE-OG1 3.11Å; K1237-T1239 PolarHBondContact NZ-OG1 2.91Å; K1237-T1239 PolarHBondContact O-N 3.3Å; K1237-T1239 PolarHBondContact O-OG1 3.33Å; K1237-P1312 HydrophobicContact CB-CB 4.24Å; K1237-P1312 HydrophobicContact CG-CB 4.3Å; K1237-K1313 WeakPolarHBondContact CA-O 3.17Å; K1237-K1313 WeakPolarHBondContact CD-O 3.33Å; K1237-K1313 WeakPolarHBondContact CE-O 3.36Å; K1237-K1313 HydrophobicContact CG-CB 4.37Å; K1237-K1313 WeakPolarHBondContact CG-O 3.26Å; K1237-K1313 PolarHBondContact NZ-O 2.91Å; K1237-T1315 VanDerWaalsContact CE-OG1 3.27Å; K1237-T1315 WeakPolarHBondContact CE-OG1 3.18Å; K1237-T1315 PolarHBondContact NZ-OG1 2.84Å
1238	T	63.3	Low	54.5	Low	19.4 Å²	19.4	55.4 Å²	55.4	12%	0.119	32%	0.319	C	S	.	.			trans	-81.4	150.7	166.6	-39.8	0	0	0	0	110.1	T1162 F1164 E1219 P1236 F1240 E1295 K1313 T1315	T1162-T1238 WeakPolarHBondContact CB-OG1 3.17Å; T1162-T1238 HydrophobicContact CG2-CG2 3.99Å; F1164-T1238 HydrophobicContact CE2-CG2 4.37Å; E1219-T1238 VanDerWaalsContact CD-CG2 3.46Å; E1219-T1238 HydrophobicContact CG-CG2 4.49Å; E1219-T1238 WeakPolarHBondContact OE2-CB 3.47Å; E1219-T1238 WeakPolarHBondContact OE2-CG2 3.41Å; E1219-T1238 PolarHBondContact OE2-OG1 2.97Å; P1236-T1238 PolarHBondContact O-N 3.08Å; T1238-F1240 HydrophobicContact CG2-CD2 4.22Å; T1238-F1240 HydrophobicContact CG2-CE2 3.75Å; T1238-F1240 VanDerWaalsContact CG2-CE2 3.45Å; T1238-F1240 HydrophobicContact CG2-CZ 4.02Å; T1238-F1240 WeakPolarHBondContact OG1-CE2 3.39Å; T1238-F1240 WeakPolarHBondContact OG1-CZ 3.35Å; T1238-E1295 VanDerWaalsContact C-OE1 3.31Å; T1238-E1295 VanDerWaalsContact C-OE2 3.29Å; T1238-E1295 VanDerWaalsContact CB-CD 3.43Å; T1238-E1295 VanDerWaalsContact CB-OE1 3.3Å; T1238-E1295 WeakPolarHBondContact CB-OE1 3.46Å; T1238-E1295 HydrophobicContact CG2-CG 3.71Å; T1238-E1295 WeakPolarHBondContact CG2-OE2 3.32Å; T1238-K1313 PolarHBondContact N-O 3Å; T1238-K1313 VanDerWaalsContact N-O 3.15Å; T1238-T1315 PolarHBondContact O-N 3.32Å
1239	T	63	Low	56.2	Low	21 Å²	21	50.1 Å²	50.1	13%	0.129	29%	0.294	C	S	.	.			trans	-148.1	134.4	179.3	-34.3	0	0	0	0	108.2	K1161 T1162 T1163 F1164 K1237 D1241 E1295 T1315 D1317	K1161-T1239 WeakPolarHBondContact CE-OG1 3.39Å; K1161-T1239 PolarHBondContact NZ-OG1 2.87Å; T1162-T1239 PolarHBondContact O-N 3.01Å; T1163-T1239 WeakPolarHBondContact CA-O 3Å; F1164-T1239 PolarHBondContact N-O 2.99Å; F1164-T1239 VanDerWaalsContact N-O 3.14Å; K1237-T1239 WeakPolarHBondContact CD-OG1 3.48Å; K1237-T1239 VanDerWaalsContact CE-OG1 3.25Å; K1237-T1239 WeakPolarHBondContact CE-OG1 3.11Å; K1237-T1239 PolarHBondContact NZ-OG1 2.91Å; K1237-T1239 PolarHBondContact O-N 3.3Å; K1237-T1239 PolarHBondContact O-OG1 3.33Å; T1239-D1241 VanDerWaalsContact CB-OD1 3.31Å; T1239-D1241 WeakPolarHBondContact CB-OD1 3.42Å; T1239-D1241 VanDerWaalsContact CG2-OD1 3.32Å; T1239-D1241 WeakPolarHBondContact CG2-OD1 3.43Å; T1239-E1295 PolarHBondContact N-OE2 3.41Å; T1239-T1315 WeakPolarHBondContact CA-O 3.4Å; T1239-T1315 WeakPolarHBondContact CG2-OG1 3.34Å; T1239-D1317 WeakPolarHBondContact CG2-OD1 3.49Å
1240	F	71	Confident	57.7	Low	40.8 Å²	40.8	48.7 Å²	48.7	18%	0.179	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	118.4	174	-59.2	-91.9	0	0	0	108.6	F1164 V1167 T1238 V1243 E1295 T1314 T1315 F1316 D1317	F1164-F1240 HydrophobicContact CB-CD1 3.82Å; F1164-F1240 HydrophobicContact CB-CE1 4.03Å; F1164-F1240 HydrophobicContact CB-CG 4.5Å; F1164-F1240 HydrophobicContact CD1-CE1 4.39Å; F1164-F1240 AromaticContact CD2-CD1 3.7Å; F1164-F1240 HydrophobicContact CD2-CD1 3.78Å; F1164-F1240 AromaticContact CD2-CE1 3.35Å; F1164-F1240 HydrophobicContact CD2-CE1 3.35Å; F1164-F1240 HydrophobicContact CD2-CG 4.46Å; F1164-F1240 AromaticContact CD2-CZ 3.78Å; F1164-F1240 HydrophobicContact CD2-CZ 4Å; F1164-F1240 HydrophobicContact CE2-CD1 4.47Å; F1164-F1240 AromaticContact CE2-CE1 3.78Å; F1164-F1240 HydrophobicContact CE2-CE1 3.86Å; F1164-F1240 AromaticContact CE2-CZ 3.99Å; F1164-F1240 HydrophobicContact CE2-CZ 4.12Å; F1164-F1240 AromaticContact CG-CD1 3.91Å; F1164-F1240 HydrophobicContact CG-CD1 4.06Å; F1164-F1240 AromaticContact CG-CE1 3.75Å; F1164-F1240 HydrophobicContact CG-CE1 3.91Å; F1164-F1240 HydrophobicContact CG-CZ 4.32Å; F1164-F1240 WeakPolarHBondContact O-CA 3.14Å; V1167-F1240 HydrophobicContact CB-CD1 4.41Å; V1167-F1240 HydrophobicContact CG2-CD1 3.98Å; V1167-F1240 HydrophobicContact CG2-CE1 4.13Å; T1238-F1240 HydrophobicContact CG2-CD2 4.22Å; T1238-F1240 HydrophobicContact CG2-CE2 3.75Å; T1238-F1240 VanDerWaalsContact CG2-CE2 3.45Å; T1238-F1240 HydrophobicContact CG2-CZ 4.02Å; T1238-F1240 WeakPolarHBondContact OG1-CE2 3.39Å; T1238-F1240 WeakPolarHBondContact OG1-CZ 3.35Å; F1240-V1243 HydrophobicContact CB-CG2 3.56Å; F1240-V1243 VanDerWaalsContact CB-CG2 3.47Å; F1240-V1243 HydrophobicContact CD1-CG2 3.8Å; F1240-V1243 VanDerWaalsContact CD1-CG2 3.48Å; F1240-V1243 HydrophobicContact CD2-CG2 4Å; F1240-V1243 HydrophobicContact CE1-CG2 4.49Å; F1240-V1243 HydrophobicContact CG-CG2 3.8Å; F1240-E1295 HydrophobicContact CD2-CB 4.27Å; F1240-E1295 HydrophobicContact CD2-CG 4.37Å; F1240-E1295 WeakPolarHBondContact CD2-OE2 3.38Å; F1240-E1295 HydrophobicContact CE2-CB 3.78Å; F1240-E1295 HydrophobicContact CE2-CG 3.77Å; F1240-E1295 VanDerWaalsContact CE2-OE2 3.25Å; F1240-E1295 WeakPolarHBondContact CE2-OE2 3.36Å; F1240-T1314 HydrophobicContact CE2-CG2 4.33Å; F1240-T1315 WeakPolarHBondContact CB-O 3.17Å; F1240-T1315 PolarHBondContact N-O 3.13Å; F1240-F1316 HydrophobicContact CB-CD1 3.84Å; F1240-F1316 HydrophobicContact CB-CD2 4.46Å; F1240-F1316 HydrophobicContact CB-CE1 4.14Å; F1240-F1316 HydrophobicContact CB-CG 4Å; F1240-F1316 HydrophobicContact CB-CZ 4.28Å; F1240-F1316 HydrophobicContact CD1-CE1 4.06Å; F1240-F1316 HydrophobicContact CD1-CZ 4.3Å; F1240-F1316 AromaticContact CD2-CD1 3.6Å; F1240-F1316 HydrophobicContact CD2-CD1 3.73Å; F1240-F1316 HydrophobicContact CD2-CD2 4.05Å; F1240-F1316 AromaticContact CD2-CE1 3.37Å; F1240-F1316 HydrophobicContact CD2-CE1 3.37Å; F1240-F1316 AromaticContact CD2-CE2 3.49Å; F1240-F1316 HydrophobicContact CD2-CE2 3.49Å; F1240-F1316 VanDerWaalsContact CD2-CE2 3.49Å; F1240-F1316 HydrophobicContact CD2-CG 4.37Å; F1240-F1316 AromaticContact CD2-CZ 3.75Å; F1240-F1316 HydrophobicContact CD2-CZ 3.88Å; F1240-F1316 HydrophobicContact CE2-CD1 4.34Å; F1240-F1316 AromaticContact CE2-CE1 3.65Å; F1240-F1316 HydrophobicContact CE2-CE1 3.78Å; F1240-F1316 AromaticContact CE2-CE2 3.96Å; F1240-F1316 HydrophobicContact CE2-CE2 3.96Å; F1240-F1316 AromaticContact CE2-CZ 3.81Å; F1240-F1316 HydrophobicContact CE2-CZ 3.99Å; F1240-F1316 AromaticContact CG-CD1 3.87Å; F1240-F1316 HydrophobicContact CG-CD1 3.99Å; F1240-F1316 AromaticContact CG-CE1 3.77Å; F1240-F1316 HydrophobicContact CG-CE1 3.88Å; F1240-F1316 HydrophobicContact CG-CE2 4.18Å; F1240-F1316 HydrophobicContact CG-CG 4.42Å; F1240-F1316 AromaticContact CG-CZ 3.68Å; F1240-F1316 HydrophobicContact CG-CZ 3.68Å; F1240-F1316 HydrophobicContact CZ-CE1 4.38Å; F1240-F1316 HydrophobicContact CZ-CZ 4.25Å; F1240-F1316 WeakPolarHBondContact O-CA 3.45Å; F1240-D1317 WeakPolarHBondContact O-CB 3.13Å; F1240-D1317 PolarHBondContact O-N 3.19Å; F1240-D1317 VanDerWaalsContact O-N 3.16Å
1241	D	75.8	Confident	59.3	Low	54 Å²	54	43.4 Å²	43.4	29%	0.289	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	-19.5	176.7	-97.3	6.5	0	0	0	108.7	T1163 F1164 D1165 V1166 T1239 R1262 D1317 V1318	T1163-D1241 VanDerWaalsContact CG2-CG 3.5Å; T1163-D1241 WeakPolarHBondContact CG2-OD1 3.39Å; F1164-D1241 PolarHBondContact O-N 3Å; D1165-D1241 PolarHBondContact O-N 2.96Å; V1166-D1241 PolarHBondContact N-O 2.73Å; T1239-D1241 VanDerWaalsContact CB-OD1 3.31Å; T1239-D1241 WeakPolarHBondContact CB-OD1 3.42Å; T1239-D1241 VanDerWaalsContact CG2-OD1 3.32Å; T1239-D1241 WeakPolarHBondContact CG2-OD1 3.43Å; D1241-R1262 IonicContact OD1-NH2 2.73Å; D1241-R1262 IonicContact OD2-CZ 3.53Å; D1241-R1262 IonicContact OD2-NH1 3.6Å; D1241-R1262 PolarHBondContact OD2-NH1 2.7Å; D1241-R1262 IonicContact OD2-NH2 2.8Å; D1241-D1317 WeakPolarHBondContact O-CB 2.94Å; D1241-D1317 PolarHBondContact O-N 3Å; D1241-V1318 WeakPolarHBondContact O-CB 3.3Å; D1241-V1318 PolarHBondContact O-N 3.13Å
1242	V	73.2	Confident	60.6	Low	48.8 Å²	48.8	42.1 Å²	42.1	30%	0.296	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	113.9	-178.5	-175.1	0	0	0	0	111.6	F1164 D1165 V1166 V1167 D1317 V1318 V1319	F1164-V1242 PolarHBondContact O-N 3.18Å; D1165-V1242 VanDerWaalsContact O-CB 3.27Å; D1165-V1242 WeakPolarHBondContact O-CB 3.48Å; D1165-V1242 WeakPolarHBondContact O-CG2 3.37Å; D1165-V1242 PolarHBondContact O-N 2.95Å; V1166-V1242 WeakPolarHBondContact CA-O 3.15Å; V1166-V1242 HydrophobicContact CB-CG1 4.49Å; V1166-V1242 HydrophobicContact CB-CG2 4.42Å; V1166-V1242 HydrophobicContact CG1-CB 4.48Å; V1166-V1242 HydrophobicContact CG1-CG1 4.36Å; V1166-V1242 HydrophobicContact CG2-CB 4.42Å; V1166-V1242 HydrophobicContact CG2-CG1 4.47Å; V1166-V1242 WeakPolarHBondContact O-CA 3.45Å; V1167-V1242 PolarHBondContact N-O 3Å; V1242-D1317 PolarHBondContact N-O 3.17Å; V1242-V1318 WeakPolarHBondContact CA-O 3.13Å; V1242-V1318 HydrophobicContact CB-CG1 4.46Å; V1242-V1318 HydrophobicContact CB-CG2 4.44Å; V1242-V1318 HydrophobicContact CG2-CB 4.44Å; V1242-V1318 WeakPolarHBondContact O-CA 3.45Å; V1242-V1319 PolarHBondContact O-N 3.08Å
1243	V	74.8	Confident	62	Low	13.8 Å²	13.8	42.3 Å²	42.3	8%	0.084	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	121.3	176.8	-179.4	0	0	0	0	110.9	V1166 V1167 T1168 I1182 F1240 Q1245 F1316 V1318 V1319 T1320	V1166-V1243 PolarHBondContact O-N 2.72Å; V1167-V1243 WeakPolarHBondContact CA-O 3.13Å; V1167-V1243 HydrophobicContact CB-CG1 4.49Å; V1167-V1243 HydrophobicContact CB-CG2 4.45Å; V1167-V1243 HydrophobicContact CG2-CG2 4.17Å; T1168-V1243 PolarHBondContact N-O 2.76Å; I1182-V1243 HydrophobicContact CD1-CG1 4.18Å; F1240-V1243 HydrophobicContact CB-CG2 3.56Å; F1240-V1243 VanDerWaalsContact CB-CG2 3.47Å; F1240-V1243 HydrophobicContact CD1-CG2 3.8Å; F1240-V1243 VanDerWaalsContact CD1-CG2 3.48Å; F1240-V1243 HydrophobicContact CD2-CG2 4Å; F1240-V1243 HydrophobicContact CE1-CG2 4.49Å; F1240-V1243 HydrophobicContact CG-CG2 3.8Å; V1243-Q1245 HydrophobicContact CG1-CG 4.17Å; V1243-F1316 HydrophobicContact CB-CD1 4.46Å; V1243-F1316 HydrophobicContact CG2-CD1 3.97Å; V1243-F1316 HydrophobicContact CG2-CE1 4.1Å; V1243-V1318 PolarHBondContact N-O 3.24Å; V1243-V1319 CarbonylContact C-O 3.53Å; V1243-V1319 WeakPolarHBondContact CA-O 3.16Å; V1243-V1319 HydrophobicContact CB-CG1 4.43Å; V1243-V1319 HydrophobicContact CB-CG2 4.35Å; V1243-V1319 HydrophobicContact CG1-CG1 4.28Å; V1243-V1319 HydrophobicContact CG2-CB 4.48Å; V1243-T1320 WeakPolarHBondContact O-CB 2.88Å; V1243-T1320 PolarHBondContact O-N 3.03Å
1244	T	71.9	Confident	63	Low	46.8 Å²	46.8	40.7 Å²	40.7	29%	0.287	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	127.3	173	-60.6	0	0	0	0	111	V1167 T1168 Q1169 V1319 T1320 Q1321	V1167-T1244 CarbonylContact C-O 3.24Å; V1167-T1244 WeakPolarHBondContact O-CA 3.3Å; V1167-T1244 VanDerWaalsContact O-CB 3.31Å; V1167-T1244 WeakPolarHBondContact O-CB 3.38Å; V1167-T1244 PolarHBondContact O-N 3.22Å; V1167-T1244 VanDerWaalsContact O-O 3.08Å; T1168-T1244 WeakPolarHBondContact CA-O 3.28Å; T1168-T1244 WeakPolarHBondContact O-CA 3.35Å; Q1169-T1244 PolarHBondContact N-O 3.17Å; T1244-V1319 PolarHBondContact N-O 3.17Å; T1244-T1320 CarbonylContact C-O 3.53Å; T1244-T1320 VanDerWaalsContact CA-O 3.32Å; T1244-T1320 WeakPolarHBondContact CA-O 3.25Å; T1244-T1320 HydrophobicContact CG2-CG2 4.38Å; T1244-T1320 CarbonylContact O-C 3.6Å; T1244-T1320 WeakPolarHBondContact O-CA 3.29Å; T1244-Q1321 PolarHBondContact O-N 3.11Å
1245	Q	69.8	Low	63.9	Low	42.6 Å²	42.6	39 Å²	39	20%	0.199	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	132.7	177.6	-91.6	179.5	13.1	0	0	111.3	T1168 Q1169 S1170 R1215 Q1216 S1217 V1243 R1291 Q1292 T1320 Q1321 S1322	T1168-Q1245 PolarHBondContact O-N 2.83Å; Q1169-Q1245 WeakPolarHBondContact CA-O 3.04Å; Q1169-Q1245 HydrophobicContact CB-CG 4.12Å; Q1169-Q1245 VanDerWaalsContact CD-CG 3.44Å; Q1169-Q1245 HydrophobicContact CG-CG 3.82Å; Q1169-Q1245 CarbonylContact O-C 3.55Å; Q1169-Q1245 VanDerWaalsContact O-CA 3.29Å; Q1169-Q1245 WeakPolarHBondContact O-CA 3.38Å; Q1169-Q1245 VanDerWaalsContact OE1-CG 3.28Å; S1170-Q1245 PolarHBondContact N-O 2.91Å; R1215-Q1245 HydrophobicContact CB-CG 4.26Å; R1215-Q1245 HydrophobicContact CG-CG 4.43Å; Q1216-Q1245 VanDerWaalsContact C-OE1 3.32Å; Q1216-Q1245 VanDerWaalsContact CA-OE1 3.23Å; Q1216-Q1245 PolarHBondContact O-OE1 3.33Å; S1217-Q1245 PolarHBondContact OG-NE2 3.33Å; V1243-Q1245 HydrophobicContact CG1-CG 4.17Å; Q1245-R1291 VanDerWaalsContact CB-NH1 3.33Å; Q1245-R1291 WeakPolarHBondContact O-CD 3.36Å; Q1245-R1291 VanDerWaalsContact OE1-CZ 3.23Å; Q1245-Q1292 PolarHBondContact OE1-O 3.35Å; Q1245-T1320 PolarHBondContact N-O 3.28Å; Q1245-Q1321 CarbonylContact C-O 3.58Å; Q1245-Q1321 WeakPolarHBondContact CA-O 3.39Å; Q1245-Q1321 HydrophobicContact CB-CG 4.29Å; Q1245-Q1321 HydrophobicContact CG-CB 4.37Å; Q1245-Q1321 VanDerWaalsContact NE2-OE1 3.11Å; Q1245-Q1321 CarbonylContact O-C 3.58Å; Q1245-Q1321 WeakPolarHBondContact O-CA 3.01Å; Q1245-S1322 PolarHBondContact O-N 2.9Å
1246	S	69.1	Low	64.3	Low	47.2 Å²	47.2	38.4 Å²	38.4	33%	0.33	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	140.9	175.6	-174.3	0	0	0	0	112.4	Q1169 S1170 G1171 R1215 Q1321 S1322 G1323	Q1169-S1246 CarbonylContact C-O 3.29Å; Q1169-S1246 PolarHBondContact O-N 3.15Å; S1170-S1246 WeakPolarHBondContact CA-O 3.16Å; S1170-S1246 WeakPolarHBondContact CB-O 3.46Å; S1170-S1246 VanDerWaalsContact O-CA 3.28Å; S1170-S1246 WeakPolarHBondContact O-CA 3.47Å; G1171-S1246 PolarHBondContact N-O 2.97Å; G1171-S1246 VanDerWaalsContact N-O 3.13Å; R1215-S1246 WeakPolarHBondContact CD-O 3.1Å; S1246-Q1321 PolarHBondContact N-O 3.24Å; S1246-S1322 WeakPolarHBondContact CA-O 3.33Å; S1246-S1322 WeakPolarHBondContact CB-O 3.11Å; S1246-S1322 WeakPolarHBondContact CB-OG 2.99Å; S1246-S1322 VanDerWaalsContact O-CA 3.29Å; S1246-S1322 WeakPolarHBondContact O-CA 3.33Å; S1246-S1322 PolarHBondContact OG-O 2.87Å; S1246-G1323 PolarHBondContact O-N 3.16Å; S1246-G1323 VanDerWaalsContact O-N 3.09Å
1247	G	71.8	Confident	64.5	Low	18.2 Å²	18.2	38.4 Å²	38.4	19%	0.188	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	156.3	-175.6	0	0	0	0	0	114.9	S1170 G1171 T1172 Q1180 T1213 M1214 S1322 G1323 T1324	S1170-G1247 PolarHBondContact O-N 3.23Å; S1170-G1247 VanDerWaalsContact O-N 3.1Å; G1171-G1247 VanDerWaalsContact CA-O 3.29Å; G1171-G1247 WeakPolarHBondContact CA-O 3.48Å; G1171-G1247 CarbonylContact O-C 3.47Å; G1171-G1247 WeakPolarHBondContact O-CA 3.38Å; T1172-G1247 PolarHBondContact N-O 3Å; Q1180-G1247 VanDerWaalsContact OE1-CA 3.32Å; T1213-G1247 WeakPolarHBondContact CA-O 3.41Å; T1213-G1247 VanDerWaalsContact CB-O 3.27Å; T1213-G1247 WeakPolarHBondContact CB-O 3.45Å; T1213-G1247 PolarHBondContact OG1-O 3.01Å; M1214-G1247 VanDerWaalsContact O-CA 3.26Å; M1214-G1247 WeakPolarHBondContact O-CA 3.16Å; G1247-S1322 PolarHBondContact N-O 2.88Å; G1247-G1323 CarbonylContact C-O 3.57Å; G1247-G1323 WeakPolarHBondContact CA-O 3.38Å; G1247-G1323 CarbonylContact O-C 3.56Å; G1247-G1323 VanDerWaalsContact O-CA 3.24Å; G1247-G1323 WeakPolarHBondContact O-CA 3.32Å; G1247-T1324 PolarHBondContact O-N 3.29Å
1248	T	69	Low	64.3	Low	38.4 Å²	38.4	37.1 Å²	37.1	24%	0.236	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	133	175.2	-57.1	0	0	0	0	111.5	Q1135 A1136 T1137 G1171 T1172 V1173 Q1180 A1212 G1323 T1324 V1325	Q1135-T1248 VanDerWaalsContact C-CG2 3.4Å; Q1135-T1248 HydrophobicContact CB-CG2 3.76Å; Q1135-T1248 HydrophobicContact CG-CG2 3.81Å; Q1135-T1248 WeakPolarHBondContact O-CG2 2.9Å; A1136-T1248 VanDerWaalsContact C-CB 3.48Å; A1136-T1248 CarbonylContact C-O 3.51Å; A1136-T1248 WeakPolarHBondContact O-CB 3.15Å; A1136-T1248 WeakPolarHBondContact O-CG2 3.37Å; T1137-T1248 CarbonylContact C-O 3.58Å; T1137-T1248 VanDerWaalsContact CA-O 3.32Å; T1137-T1248 WeakPolarHBondContact CA-O 3.08Å; T1137-T1248 VanDerWaalsContact CB-O 3.27Å; T1137-T1248 WeakPolarHBondContact CB-O 3.32Å; T1137-T1248 PolarHBondContact N-O 3.33Å; G1171-T1248 PolarHBondContact O-N 3.41Å; T1172-T1248 CarbonylContact C-O 3.59Å; T1172-T1248 VanDerWaalsContact CA-O 3.29Å; T1172-T1248 WeakPolarHBondContact CA-O 3.34Å; T1172-T1248 WeakPolarHBondContact O-CA 3.5Å; V1173-T1248 PolarHBondContact N-O 3.21Å; Q1180-T1248 PolarHBondContact OE1-O 2.93Å; A1212-T1248 HydrophobicContact CB-CG2 3.84Å; A1212-T1248 VanDerWaalsContact O-CA 3.29Å; A1212-T1248 WeakPolarHBondContact O-CA 3.08Å; A1212-T1248 WeakPolarHBondContact O-CG2 3.43Å; A1212-T1248 PolarHBondContact O-OG1 2.79Å; T1248-G1323 PolarHBondContact N-O 2.88Å; T1248-T1324 CarbonylContact C-O 3.56Å; T1248-T1324 VanDerWaalsContact CA-O 3.3Å; T1248-T1324 WeakPolarHBondContact CA-O 3.46Å; T1248-T1324 CarbonylContact O-C 3.58Å; T1248-T1324 WeakPolarHBondContact O-CA 3.41Å; T1248-V1325 PolarHBondContact O-N 2.86Å
1249	V	67.2	Low	63.5	Low	26.2 Å²	26.2	38.1 Å²	38.1	16%	0.159	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	110.1	-178.5	-170.4	0	0	0	0	112.5	A1136 T1172 V1173 H1174 Q1177 S1178 V1179 A1212 M1214 S1254 T1324 V1325 H1326 C1327	A1136-V1249 VanDerWaalsContact CA-C 3.5Å; A1136-V1249 VanDerWaalsContact CA-N 3.29Å; T1172-V1249 PolarHBondContact O-N 3.1Å; V1173-V1249 CarbonylContact O-C 3.59Å; V1173-V1249 WeakPolarHBondContact O-CA 3.25Å; H1174-V1249 PolarHBondContact N-O 3.37Å; Q1177-V1249 HydrophobicContact CG-CG1 3.94Å; Q1177-V1249 VanDerWaalsContact NE2-CG1 3.32Å; S1178-V1249 VanDerWaalsContact CB-CG1 3.47Å; S1178-V1249 WeakPolarHBondContact OG-CG1 2.73Å; V1179-V1249 HydrophobicContact CB-CG1 4.43Å; V1179-V1249 HydrophobicContact CG1-CG1 4.24Å; V1179-V1249 HydrophobicContact CG1-CG2 4.19Å; A1212-V1249 HydrophobicContact CB-CB 3.83Å; A1212-V1249 HydrophobicContact CB-CG2 3.96Å; M1214-V1249 HydrophobicContact CB-CG2 4.04Å; V1249-S1254 PolarHBondContact O-OG 3.45Å; V1249-T1324 PolarHBondContact N-O 2.95Å; V1249-V1325 CarbonylContact C-O 3.56Å; V1249-V1325 WeakPolarHBondContact CA-O 3.35Å; V1249-V1325 HydrophobicContact CG2-CB 4.48Å; V1249-V1325 CarbonylContact O-C 3.59Å; V1249-V1325 WeakPolarHBondContact O-CA 3.29Å; V1249-H1326 CarbonylContact C-O 3.5Å; V1249-H1326 PolarHBondContact O-N 3.03Å; V1249-C1327 HydrophobicContact CB-CB 4.26Å; V1249-C1327 VanDerWaalsContact CB-SG 3.59Å; V1249-C1327 HydrophobicContact CG1-CB 4.07Å; V1249-C1327 WeakPolarHBondContact CG1-SG 3.36Å; V1249-C1327 WeakPolarHBondContact O-CB 3.31Å
1250	H	66.6	Low	62.4	Low	45.4 Å²	45.4	40.2 Å²	40.2	21%	0.21	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	117.9	-174.9	-160.2	-73	0	0	0	114	Q1135 A1136 V1173 H1174 C1175 L1196 L1210 V1325 H1326 C1327	Q1135-H1250 WeakPolarHBondContact O-CA 3.28Å; Q1135-H1250 WeakPolarHBondContact O-CB 3.13Å; Q1135-H1250 PolarHBondContact O-N 2.8Å; A1136-H1250 VanDerWaalsContact CA-N 3.35Å; A1136-H1250 VanDerWaalsContact CB-N 3.33Å; V1173-H1250 PolarHBondContact O-N 3.03Å; H1174-H1250 CarbonylContact C-O 3.52Å; H1174-H1250 WeakPolarHBondContact CA-O 3.35Å; H1174-H1250 WeakPolarHBondContact CB-CE1 3.44Å; H1174-H1250 VanDerWaalsContact CB-ND1 3.33Å; H1174-H1250 WeakPolarHBondContact CB-ND1 3.46Å; H1174-H1250 WeakPolarHBondContact CB-NE2 3.46Å; H1174-H1250 AromaticContact CD2-CG 3.73Å; H1174-H1250 AromaticContact CD2-ND1 3.23Å; H1174-H1250 PolarHBondContact CD2-ND1 3.34Å; H1174-H1250 VanDerWaalsContact CD2-ND1 3.26Å; H1174-H1250 AromaticContact CD2-NE2 3.85Å; H1174-H1250 PolarHBondContact CE1-O 3.46Å; H1174-H1250 AromaticContact CG-CE1 3.46Å; H1174-H1250 VanDerWaalsContact CG-CE1 3.46Å; H1174-H1250 AromaticContact CG-NE2 3.54Å; H1174-H1250 AromaticContact ND1-CE1 3.64Å; H1174-H1250 PolarHBondContact ND1-O 3.28Å; H1174-H1250 AromaticContact NE2-CE1 3.75Å; H1174-H1250 AromaticContact NE2-ND1 3.15Å; H1174-H1250 PolarHBondContact NE2-ND1 3.1Å; H1174-H1250 VanDerWaalsContact NE2-ND1 3.15Å; H1174-H1250 CarbonylContact O-C 3.56Å; H1174-H1250 WeakPolarHBondContact O-CA 3.49Å; C1175-H1250 PolarHBondContact N-O 2.86Å; C1175-H1250 VanDerWaalsContact N-O 3.15Å; L1196-H1250 PolarHBondContact O-CE1 3.19Å; L1196-H1250 PolarHBondContact O-ND1 2.98Å; L1210-H1250 WeakPolarHBondContact CB-NE2 3.46Å; L1210-H1250 WeakPolarHBondContact CD2-NE2 3.45Å; H1250-V1325 PolarHBondContact N-O 3.28Å; H1250-H1326 CarbonylContact C-O 3.59Å; H1250-H1326 WeakPolarHBondContact CA-O 3.27Å; H1250-H1326 HydrophobicContact CB-CB 4.18Å; H1250-H1326 VanDerWaalsContact CB-CE1 3.47Å; H1250-H1326 WeakPolarHBondContact CB-CE1 3.47Å; H1250-H1326 VanDerWaalsContact CB-NE2 3.28Å; H1250-H1326 WeakPolarHBondContact CB-NE2 3.42Å; H1250-H1326 WeakPolarHBondContact CD2-CB 3.35Å; H1250-H1326 AromaticContact CD2-CG 3.76Å; H1250-H1326 AromaticContact CD2-ND1 3.39Å; H1250-H1326 PolarHBondContact CD2-ND1 3.26Å; H1250-H1326 VanDerWaalsContact CD2-ND1 3.31Å; H1250-H1326 AromaticContact CE1-NE2 3.59Å; H1250-H1326 AromaticContact CG-CD2 3.59Å; H1250-H1326 AromaticContact CG-NE2 3.89Å; H1250-H1326 PolarHBondContact N-O 2.88Å; H1250-H1326 AromaticContact ND1-CD2 3.15Å; H1250-H1326 PolarHBondContact ND1-CD2 3.34Å; H1250-H1326 AromaticContact ND1-NE2 3.02Å; H1250-H1326 PolarHBondContact ND1-NE2 3.47Å; H1250-H1326 AromaticContact NE2-CE1 3.79Å; H1250-H1326 AromaticContact NE2-CG 3.78Å; H1250-H1326 AromaticContact NE2-ND1 3.17Å; H1250-H1326 PolarHBondContact NE2-ND1 3.23Å; H1250-H1326 VanDerWaalsContact NE2-ND1 3.17Å; H1250-H1326 CarbonylContact O-C 3.58Å; H1250-H1326 WeakPolarHBondContact O-CA 3.41Å; H1250-C1327 VanDerWaalsContact C-SG 3.5Å; H1250-C1327 WeakPolarHBondContact O-CB 3.47Å; H1250-C1327 PolarHBondContact O-N 3.33Å; H1250-C1327 PolarHBondContact O-SG 3.04Å
1251	C	64.3	Low	60.8	Low	30 Å²	30	42 Å²	42	20%	0.203	24%	0.242	C	C	.	.	S	Bend	trans	-151.6	150.5	-179.5	-16.2	0	0	0	0	114	H1174 C1175 S1178 D1197 Q1253 S1254 H1326 C1327 A1328	H1174-C1251 PolarHBondContact O-N 2.79Å; H1174-C1251 PolarHBondContact O-SG 2.72Å; C1175-C1251 CarbonylContact O-C 3.46Å; C1175-C1251 VanDerWaalsContact O-CA 3.3Å; C1175-C1251 WeakPolarHBondContact O-CA 3.32Å; C1175-C1251 VanDerWaalsContact O-CB 3.29Å; C1175-C1251 WeakPolarHBondContact O-CB 3.23Å; C1175-C1251 PolarHBondContact O-SG 2.84Å; C1175-C1251 VanDerWaalsContact O-SG 3.4Å; S1178-C1251 PolarHBondContact OG-SG 3.22Å; D1197-C1251 WeakPolarHBondContact CB-O 3.32Å; C1251-Q1253 PolarHBondContact SG-N 3.27Å; C1251-Q1253 PolarHBondContact SG-O 3.34Å; C1251-S1254 VanDerWaalsContact SG-CB 3.51Å; C1251-S1254 PolarHBondContact SG-OG 3.11Å; C1251-H1326 PolarHBondContact N-O 3.1Å; C1251-H1326 VanDerWaalsContact N-O 3.09Å; C1251-C1327 CarbonylContact C-O 3.5Å; C1251-C1327 WeakPolarHBondContact CA-O 3.35Å; C1251-C1327 PolarHBondContact N-O 2.62Å; C1251-C1327 CarbonylContact O-C 3.53Å; C1251-C1327 WeakPolarHBondContact O-CA 3.33Å; C1251-C1327 VanDerWaalsContact O-CB 3.23Å; C1251-C1327 WeakPolarHBondContact O-CB 3.38Å; C1251-C1327 WeakPolarHBondContact SG-CA 3.41Å; C1251-C1327 WeakPolarHBondContact SG-CB 3.1Å; C1251-C1327 PolarHBondContact SG-O 3.34Å; C1251-A1328 PolarHBondContact O-N 2.93Å
1252	A	58.8	Low	59.1	Low	39.8 Å²	39.8	43.3 Å²	43.3	33%	0.329	24%	0.243	S	C	.	.	S	Bend	trans	-128.1	50.5	170.2	0	0	0	0	0	114.8	L1120 C1175 A1176 Q1177 C1327 A1328 Q1329	L1120-A1252 HydrophobicContact CB-CB 3.51Å; L1120-A1252 HydrophobicContact CD1-CB 3.68Å; L1120-A1252 HydrophobicContact CG-CB 4.12Å; C1175-A1252 PolarHBondContact O-N 3.04Å; A1176-A1252 CarbonylContact C-O 3.25Å; A1176-A1252 VanDerWaalsContact C-O 3.26Å; A1176-A1252 WeakPolarHBondContact CA-O 3.08Å; A1176-A1252 HydrophobicContact CB-CB 4.02Å; A1176-A1252 VanDerWaalsContact CB-O 3.3Å; A1176-A1252 WeakPolarHBondContact CB-O 3.15Å; A1176-A1252 WeakPolarHBondContact O-CA 3.34Å; A1176-A1252 WeakPolarHBondContact O-CB 2.94Å; A1176-A1252 PolarHBondContact O-N 2.81Å; Q1177-A1252 PolarHBondContact N-O 2.84Å; Q1177-A1252 VanDerWaalsContact OE1-N 3.16Å; A1252-C1327 PolarHBondContact N-O 3.1Å; A1252-A1328 WeakPolarHBondContact CA-O 3.39Å; A1252-A1328 WeakPolarHBondContact O-CA 3.32Å; A1252-A1328 WeakPolarHBondContact O-CB 3.25Å; A1252-A1328 PolarHBondContact O-N 3.31Å; A1252-Q1329 PolarHBondContact O-N 3.26Å
1253	Q	59.7	Low	57.5	Low	58.8 Å²	58.8	43.2 Å²	43.2	28%	0.275	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	133	-178.7	-74.7	-161.4	-45.2	0	0	112.8	V1118 G1119 A1176 Q1177 S1178 V1192 N1193 C1251 C1327 A1328 Q1329 S1330	V1118-Q1253 HydrophobicContact CB-CB 4.13Å; V1118-Q1253 HydrophobicContact CG2-CB 4.3Å; G1119-Q1253 WeakPolarHBondContact O-CG 3.21Å; G1119-Q1253 PolarHBondContact O-OE1 3.28Å; A1176-Q1253 CarbonylContact C-O 3.44Å; A1176-Q1253 PolarHBondContact O-N 3Å; A1176-Q1253 VanDerWaalsContact O-O 3.12Å; Q1177-Q1253 WeakPolarHBondContact CA-O 3.08Å; Q1177-Q1253 HydrophobicContact CB-CG 4.45Å; Q1177-Q1253 HydrophobicContact CG-CB 4.48Å; Q1177-Q1253 PolarHBondContact N-O 2.74Å; Q1177-Q1253 PolarHBondContact NE2-O 3.08Å; Q1177-Q1253 WeakPolarHBondContact O-CA 3.4Å; Q1177-Q1253 VanDerWaalsContact OE1-C 3.28Å; Q1177-Q1253 PolarHBondContact OE1-O 2.81Å; S1178-Q1253 PolarHBondContact N-O 2.74Å; S1178-Q1253 PolarHBondContact OG-O 3.15Å; V1192-Q1253 VanDerWaalsContact CG1-NE2 3.34Å; N1193-Q1253 PolarHBondContact OD1-NE2 2.97Å; C1251-Q1253 PolarHBondContact SG-N 3.27Å; C1251-Q1253 PolarHBondContact SG-O 3.34Å; Q1253-C1327 VanDerWaalsContact NE2-C 3.35Å; Q1253-A1328 HydrophobicContact CB-CB 4.46Å; Q1253-A1328 VanDerWaalsContact CG-C 3.46Å; Q1253-A1328 PolarHBondContact N-O 3.27Å; Q1253-A1328 VanDerWaalsContact NE2-C 3.31Å; Q1253-Q1329 WeakPolarHBondContact CA-O 3.28Å; Q1253-Q1329 HydrophobicContact CB-CG 4.42Å; Q1253-Q1329 VanDerWaalsContact CG-C 3.45Å; Q1253-Q1329 VanDerWaalsContact NE2-N 3.2Å; Q1253-Q1329 PolarHBondContact NE2-O 2.89Å; Q1253-Q1329 WeakPolarHBondContact O-CA 3.38Å; Q1253-Q1329 PolarHBondContact OE1-O 2.88Å; Q1253-S1330 PolarHBondContact O-N 2.9Å
1254	S	54.6	Low	55.8	Low	24.8 Å²	24.8	44.8 Å²	44.8	17%	0.173	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	140.5	179.2	31.8	0	0	0	0	112.9	Q1177 S1178 V1179 N1193 V1194 V1249 C1251 V1325 C1327 Q1329 S1330 V1331	Q1177-S1254 VanDerWaalsContact CD-OG 3.25Å; Q1177-S1254 PolarHBondContact O-N 3.1Å; Q1177-S1254 PolarHBondContact OE1-OG 3.46Å; Q1177-S1254 VanDerWaalsContact OE1-OG 3.07Å; S1178-S1254 WeakPolarHBondContact CA-O 3.47Å; S1178-S1254 WeakPolarHBondContact CB-OG 3.34Å; S1178-S1254 PolarHBondContact N-OG 2.82Å; S1178-S1254 VanDerWaalsContact O-CB 3.29Å; S1178-S1254 WeakPolarHBondContact O-CB 3.05Å; S1178-S1254 PolarHBondContact O-OG 3.42Å; V1179-S1254 VanDerWaalsContact CG2-C 3.41Å; V1179-S1254 PolarHBondContact N-O 2.76Å; N1193-S1254 CarbonylContact C-O 3.54Å; N1193-S1254 VanDerWaalsContact C-O 3.25Å; N1193-S1254 WeakPolarHBondContact CA-O 3.31Å; N1193-S1254 PolarHBondContact N-O 2.9Å; V1194-S1254 PolarHBondContact N-O 2.83Å; V1249-S1254 PolarHBondContact O-OG 3.45Å; C1251-S1254 VanDerWaalsContact SG-CB 3.51Å; C1251-S1254 PolarHBondContact SG-OG 3.11Å; S1254-V1325 WeakPolarHBondContact OG-CG1 3.29Å; S1254-C1327 PolarHBondContact OG-SG 3.41Å; S1254-C1327 VanDerWaalsContact OG-SG 3.4Å; S1254-Q1329 PolarHBondContact N-O 3.04Å; S1254-Q1329 VanDerWaalsContact N-O 3.1Å; S1254-S1330 VanDerWaalsContact C-CB 3.48Å; S1254-S1330 WeakPolarHBondContact CA-O 3.29Å; S1254-S1330 WeakPolarHBondContact CB-OG 3.33Å; S1254-S1330 PolarHBondContact N-OG 3.01Å; S1254-S1330 WeakPolarHBondContact OG-CB 3.36Å; S1254-V1331 PolarHBondContact O-N 2.9Å; S1254-V1331 VanDerWaalsContact O-N 3.15Å
1255	V	57.6	Low	54.2	Low	46.8 Å²	46.8	46.3 Å²	46.3	28%	0.284	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	137.2	170	-168.6	0	0	0	0	110	T1115 S1178 V1179 Q1180 F1189 T1191 T1257 S1330 V1331 Q1332	T1115-V1255 HydrophobicContact CG2-CG2 4.48Å; S1178-V1255 PolarHBondContact O-N 3.08Å; S1178-V1255 VanDerWaalsContact O-N 3.15Å; V1179-V1255 VanDerWaalsContact CG2-C 3.41Å; V1179-V1255 HydrophobicContact CG2-CB 3.9Å; V1179-V1255 HydrophobicContact CG2-CG2 4.19Å; V1179-V1255 WeakPolarHBondContact CG2-O 3.49Å; Q1180-V1255 PolarHBondContact N-O 2.64Å; F1189-V1255 HydrophobicContact CE1-CB 4.19Å; F1189-V1255 HydrophobicContact CE1-CG1 4.05Å; T1191-V1255 HydrophobicContact CG2-CG1 4.13Å; T1191-V1255 WeakPolarHBondContact O-CG1 3.37Å; T1191-V1255 WeakPolarHBondContact O-CG2 3.4Å; V1255-T1257 WeakPolarHBondContact CG1-OG1 3.34Å; V1255-S1330 VanDerWaalsContact N-CB 3.31Å; V1255-S1330 PolarHBondContact N-O 2.93Å; V1255-V1331 HydrophobicContact CB-CG2 3.95Å; V1255-V1331 HydrophobicContact CG2-CG2 3.68Å; V1255-V1331 WeakPolarHBondContact O-CA 3.47Å; V1255-Q1332 HydrophobicContact CB-CB 4.49Å; V1255-Q1332 HydrophobicContact CG1-CB 4.25Å; V1255-Q1332 HydrophobicContact CG1-CG 4.37Å; V1255-Q1332 PolarHBondContact O-N 3.22Å
1256	Q	51.2	Low	52.8	Low	38.4 Å²	38.4	48.1 Å²	48.1	18%	0.179	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	132.2	-179.9	177.5	-164.5	33.1	0	0	111.6	V1179 Q1180 T1181 V1194 T1213 M1214 I1258 M1290 V1331 Q1332 T1333	V1179-Q1256 HydrophobicContact CB-CB 4.2Å; V1179-Q1256 HydrophobicContact CG1-CB 3.63Å; V1179-Q1256 HydrophobicContact CG1-CG 3.89Å; V1179-Q1256 HydrophobicContact CG2-CB 3.65Å; V1179-Q1256 PolarHBondContact O-N 2.77Å; Q1180-Q1256 WeakPolarHBondContact CA-O 3.48Å; Q1180-Q1256 HydrophobicContact CG-CB 4.49Å; Q1180-Q1256 VanDerWaalsContact N-OE1 3.15Å; Q1180-Q1256 PolarHBondContact O-OE1 2.89Å; T1181-Q1256 PolarHBondContact N-O 2.69Å; T1181-Q1256 VanDerWaalsContact N-O 3.09Å; T1181-Q1256 VanDerWaalsContact OG1-CD 3.28Å; T1181-Q1256 PolarHBondContact OG1-OE1 3.05Å; V1194-Q1256 HydrophobicContact CB-CB 4.05Å; V1194-Q1256 HydrophobicContact CG1-CB 4.08Å; V1194-Q1256 HydrophobicContact CG2-CB 3.76Å; T1213-Q1256 PolarHBondContact O-NE2 2.92Å; M1214-Q1256 HydrophobicContact CB-CG 4.35Å; M1214-Q1256 VanDerWaalsContact CB-NE2 3.32Å; M1214-Q1256 HydrophobicContact CE-CB 3.85Å; M1214-Q1256 HydrophobicContact CE-CG 3.81Å; M1214-Q1256 HydrophobicContact CG-CB 4.47Å; M1214-Q1256 HydrophobicContact CG-CG 3.84Å; M1214-Q1256 HydrophobicContact SD-CB 3.49Å; M1214-Q1256 WeakPolarHBondContact SD-CB 3.18Å; M1214-Q1256 HydrophobicContact SD-CG 3.5Å; M1214-Q1256 WeakPolarHBondContact SD-CG 3.29Å; Q1256-I1258 HydrophobicContact CG-CD1 4.49Å; Q1256-I1258 HydrophobicContact CG-CG1 4.3Å; Q1256-M1290 VanDerWaalsContact CD-SD 3.58Å; Q1256-M1290 HydrophobicContact CG-CE 3.75Å; Q1256-M1290 HydrophobicContact CG-SD 3.61Å; Q1256-M1290 PolarHBondContact NE2-SD 3.09Å; Q1256-M1290 VanDerWaalsContact NE2-SD 3.4Å; Q1256-V1331 PolarHBondContact N-O 3.08Å; Q1256-Q1332 WeakPolarHBondContact CA-O 3.22Å; Q1256-Q1332 HydrophobicContact CB-CG 4.35Å; Q1256-Q1332 HydrophobicContact CG-CB 4.49Å; Q1256-Q1332 PolarHBondContact O-NE2 3.23Å; Q1256-T1333 PolarHBondContact O-N 3.37Å
1257	T	49.1	Very low	51.4	Low	27.2 Å²	27.2	49 Å²	49	17%	0.167	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	149	-174.8	-15.8	0	0	0	0	113.6	Q1180 T1181 F1189 Q1224 V1255 E1260 Q1292 V1331 Q1332 T1333 I1334 P1335	Q1180-T1257 PolarHBondContact O-N 2.77Å; Q1180-T1257 VanDerWaalsContact O-N 3.14Å; T1181-T1257 WeakPolarHBondContact CA-O 3.34Å; T1181-T1257 WeakPolarHBondContact CB-O 3.35Å; T1181-T1257 WeakPolarHBondContact CG2-O 3.24Å; T1181-T1257 WeakPolarHBondContact O-CA 3.5Å; T1181-T1257 PolarHBondContact OG1-O 2.88Å; F1189-T1257 WeakPolarHBondContact CZ-OG1 3.42Å; Q1224-T1257 PolarHBondContact OE1-OG1 3.21Å; V1255-T1257 WeakPolarHBondContact CG1-OG1 3.34Å; T1257-E1260 WeakPolarHBondContact CB-OE2 3.37Å; T1257-E1260 PolarHBondContact OG1-OE1 2.75Å; T1257-E1260 PolarHBondContact OG1-OE2 2.77Å; T1257-Q1292 WeakPolarHBondContact O-CG 3.24Å; T1257-Q1292 PolarHBondContact O-NE2 3.41Å; T1257-V1331 HydrophobicContact CG2-CG1 4.4Å; T1257-Q1332 HydrophobicContact CG2-CG 3.33Å; T1257-Q1332 PolarHBondContact N-O 2.92Å; T1257-Q1332 VanDerWaalsContact N-O 3.09Å; T1257-Q1332 WeakPolarHBondContact OG1-CG 2.97Å; T1257-T1333 WeakPolarHBondContact CA-O 3.49Å; T1257-T1333 WeakPolarHBondContact CB-O 3.14Å; T1257-T1333 WeakPolarHBondContact O-CA 3.25Å; T1257-T1333 VanDerWaalsContact OG1-C 3.25Å; T1257-T1333 PolarHBondContact OG1-N 2.69Å; T1257-T1333 PolarHBondContact OG1-O 2.66Å; T1257-I1334 HydrophobicContact CG2-CB 3.78Å; T1257-I1334 HydrophobicContact CG2-CD1 4.25Å; T1257-I1334 HydrophobicContact CG2-CG1 4.02Å; T1257-I1334 PolarHBondContact O-N 3.18Å; T1257-I1334 VanDerWaalsContact O-N 3.12Å; T1257-P1335 HydrophobicContact CG2-CB 4.32Å; T1257-P1335 HydrophobicContact CG2-CG 4.07Å
1258	I	48	Very low	49.9	Very low	50.4 Å²	50.4	51.5 Å²	51.5	26%	0.258	28%	0.279	S	S	.	.			trans	-115.9	127.7	174.3	-56.8	158.8	0	0	0	107.8	T1181 P1183 Q1256 E1260 M1290 R1291 Q1292 V1319 Q1321 P1335 R1367 Q1368	T1181-I1258 HydrophobicContact CG2-CB 4.19Å; T1181-I1258 HydrophobicContact CG2-CG1 3.74Å; T1181-I1258 PolarHBondContact O-N 3.14Å; T1181-I1258 VanDerWaalsContact O-N 3.12Å; P1183-I1258 WeakPolarHBondContact CD-O 3.48Å; Q1256-I1258 HydrophobicContact CG-CD1 4.49Å; Q1256-I1258 HydrophobicContact CG-CG1 4.3Å; I1258-E1260 WeakPolarHBondContact O-CB 3.41Å; I1258-E1260 PolarHBondContact O-N 2.88Å; I1258-M1290 HydrophobicContact CD1-CE 3.36Å; I1258-M1290 HydrophobicContact CD1-CG 4.4Å; I1258-R1291 WeakPolarHBondContact CG1-O 3.5Å; I1258-Q1292 HydrophobicContact CB-CB 4.29Å; I1258-Q1292 HydrophobicContact CB-CG 3.9Å; I1258-Q1292 HydrophobicContact CD1-CG 3.78Å; I1258-Q1292 HydrophobicContact CG1-CB 4.05Å; I1258-Q1292 HydrophobicContact CG1-CG 3.44Å; I1258-Q1292 VanDerWaalsContact CG1-CG 3.44Å; I1258-Q1292 HydrophobicContact CG2-CB 3.84Å; I1258-Q1292 HydrophobicContact CG2-CG 4.04Å; I1258-V1319 HydrophobicContact CD1-CG1 4.26Å; I1258-Q1321 HydrophobicContact CD1-CB 4.28Å; I1258-P1335 WeakPolarHBondContact O-CD 3.44Å; I1258-P1335 WeakPolarHBondContact O-CG 2.78Å; I1258-R1367 HydrophobicContact CD1-CG 4.28Å; I1258-R1367 HydrophobicContact CG1-CG 4.22Å; I1258-Q1368 HydrophobicContact CB-CB 3.79Å; I1258-Q1368 HydrophobicContact CB-CG 4.02Å; I1258-Q1368 HydrophobicContact CD1-CB 4.19Å; I1258-Q1368 HydrophobicContact CG1-CB 4.02Å; I1258-Q1368 WeakPolarHBondContact CG1-O 3.29Å; I1258-Q1368 WeakPolarHBondContact CG2-O 3.41Å; I1258-Q1368 VanDerWaalsContact N-OE1 3.1Å; I1258-Q1368 WeakPolarHBondContact O-CG 3.39Å; I1258-Q1368 PolarHBondContact O-NE2 3.47Å; I1258-Q1368 PolarHBondContact O-OE1 2.92Å
1259	P	46.5	Very low	48.4	Very low	41 Å²	41	52.4 Å²	52.4	27%	0.266	29%	0.287	S	S	.	.			trans	-77.5	151.5	-179.3	29.6	-32.9	0	0	0	114	I1182 P1183 E1184 Q1216 V1294 I1334 P1335 E1336 S1369 V1370	I1182-P1259 WeakPolarHBondContact O-CB 3.2Å; I1182-P1259 VanDerWaalsContact O-CD 3.28Å; I1182-P1259 WeakPolarHBondContact O-CD 3.34Å; P1183-P1259 VanDerWaalsContact C-CB 3.44Å; P1183-P1259 HydrophobicContact CG-CB 4Å; P1183-P1259 WeakPolarHBondContact O-CB 3.07Å; E1184-P1259 WeakPolarHBondContact O-CG 3.29Å; Q1216-P1259 VanDerWaalsContact NE2-CD 3.33Å; P1259-V1294 HydrophobicContact CB-CG2 4.47Å; P1259-V1294 HydrophobicContact CG-CG2 3.52Å; P1259-I1334 WeakPolarHBondContact CD-O 3.38Å; P1259-P1335 VanDerWaalsContact C-CG 3.46Å; P1259-P1335 HydrophobicContact CG-CB 4Å; P1259-P1335 WeakPolarHBondContact O-CG 3.4Å; P1259-E1336 PolarHBondContact O-N 3.26Å; P1259-S1369 CarbonylContact O-C 3.27Å; P1259-S1369 WeakPolarHBondContact O-CA 3.25Å; P1259-V1370 PolarHBondContact O-N 3.32Å; P1259-V1370 VanDerWaalsContact O-N 3.07Å
1260	E	41	Very low	47.2	Very low	65.8 Å²	65.8	54.1 Å²	54.1	31%	0.307	30%	0.297	S	S	.	.			trans	-102.3	135.8	-179.2	-165.1	179.5	153.2	0	0	112.4	P1183 E1184 E1185 T1257 I1258 R1262 F1265 P1335 E1336 R1338 Q1368	P1183-E1260 PolarHBondContact O-N 3.39Å; E1184-E1260 WeakPolarHBondContact CG-O 3.15Å; E1185-E1260 PolarHBondContact N-O 3.23Å; T1257-E1260 WeakPolarHBondContact CB-OE2 3.37Å; T1257-E1260 PolarHBondContact OG1-OE1 2.75Å; T1257-E1260 PolarHBondContact OG1-OE2 2.77Å; I1258-E1260 WeakPolarHBondContact O-CB 3.41Å; I1258-E1260 PolarHBondContact O-N 2.88Å; E1260-R1262 HydrophobicContact CG-CG 4.12Å; E1260-R1262 VanDerWaalsContact CG-NE 3.33Å; E1260-R1262 WeakPolarHBondContact O-CG 3.4Å; E1260-R1262 WeakPolarHBondContact OE1-CD 3.33Å; E1260-R1262 IonicContact OE1-CZ 2.94Å; E1260-R1262 IonicContact OE1-NE 3.28Å; E1260-R1262 PolarHBondContact OE1-NE 2.82Å; E1260-R1262 IonicContact OE1-NH1 2.83Å; E1260-R1262 PolarHBondContact OE1-NH1 2.86Å; E1260-R1262 IonicContact OE1-NH2 3.23Å; E1260-R1262 PolarHBondContact OE1-NH2 2.94Å; E1260-R1262 IonicContact OE2-CZ 2.73Å; E1260-R1262 IonicContact OE2-NE 3.19Å; E1260-R1262 IonicContact OE2-NH1 3.41Å; E1260-R1262 PolarHBondContact OE2-NH1 2.88Å; E1260-R1262 IonicContact OE2-NH2 2.88Å; E1260-R1262 PolarHBondContact OE2-NH2 3.11Å; E1260-F1265 HydrophobicContact CB-CD1 4.25Å; E1260-F1265 HydrophobicContact CB-CD2 3.87Å; E1260-F1265 HydrophobicContact CB-CE1 4.24Å; E1260-F1265 HydrophobicContact CB-CE2 3.87Å; E1260-F1265 HydrophobicContact CB-CG 4.1Å; E1260-F1265 HydrophobicContact CB-CZ 4.07Å; E1260-F1265 HydrophobicContact CG-CB 4.36Å; E1260-F1265 HydrophobicContact CG-CD2 3.83Å; E1260-F1265 HydrophobicContact CG-CE2 4.32Å; E1260-F1265 HydrophobicContact CG-CG 3.99Å; E1260-P1335 HydrophobicContact CB-CB 4.35Å; E1260-P1335 HydrophobicContact CB-CG 4.01Å; E1260-E1336 WeakPolarHBondContact CG-O 3.1Å; E1260-R1338 IonicContact OE1-CZ 3.13Å; E1260-R1338 IonicContact OE1-NE 3.44Å; E1260-R1338 PolarHBondContact OE1-NE 2.84Å; E1260-R1338 IonicContact OE1-NH2 2.77Å; E1260-R1338 PolarHBondContact OE1-NH2 3.46Å; E1260-R1338 IonicContact OE2-NH2 2.67Å; E1260-Q1368 VanDerWaalsContact CB-NE2 3.34Å; E1260-Q1368 PolarHBondContact OE2-NE2 3.4Å
1261	E	37.3	Very low	46	Very low	76.6 Å²	76.6	53.5 Å²	53.5	36%	0.358	30%	0.303	S	S	.	.			trans	-82.5	119.8	169.6	-129.4	-156.3	168	0	0	112.2	E1185 N1220 P1263 F1265 E1336 R1338 P1388	E1185-E1261 WeakPolarHBondContact OE1-CA 3.43Å; E1185-E1261 PolarHBondContact OE1-N 2.65Å; N1220-E1261 PolarHBondContact ND2-OE2 2.81Å; E1261-P1263 VanDerWaalsContact C-CD 3.43Å; E1261-P1263 VanDerWaalsContact CD-CD 3.4Å; E1261-P1263 WeakPolarHBondContact O-CD 2.82Å; E1261-P1263 WeakPolarHBondContact OE1-CD 3.16Å; E1261-P1263 WeakPolarHBondContact OE2-CD 3.12Å; E1261-P1263 WeakPolarHBondContact OE2-CG 3.15Å; E1261-F1265 HydrophobicContact CB-CE2 4.15Å; E1261-F1265 VanDerWaalsContact O-CD2 3.23Å; E1261-F1265 WeakPolarHBondContact O-CD2 3.39Å; E1261-F1265 WeakPolarHBondContact O-CE2 2.97Å; E1261-E1336 PolarHBondContact N-O 3.19Å; E1261-R1338 PolarHBondContact O-N 2.99Å; E1261-R1338 WeakPolarHBondContact OE1-CB 2.48Å; E1261-R1338 PolarHBondContact OE1-N 2.66Å; E1261-P1388 WeakPolarHBondContact OE1-CG 3.42Å
1262	R	40.3	Very low	45.1	Very low	81.6 Å²	81.6	54.6 Å²	54.6	31%	0.308	31%	0.309	S	S	.	.			trans	-116.9	89.4	-177.9	-63	-162.9	165.5	-172	5.4	114	E1184 E1185 Q1186 P1187 V1188 D1241 E1260 V1264 E1336 R1338	E1184-R1262 WeakPolarHBondContact OE1-CD 3.38Å; E1184-R1262 WeakPolarHBondContact OE1-CG 3.02Å; E1184-R1262 IonicContact OE1-CZ 3.07Å; E1184-R1262 IonicContact OE1-NE 3.29Å; E1184-R1262 PolarHBondContact OE1-NE 2.9Å; E1184-R1262 IonicContact OE1-NH1 2.74Å; E1184-R1262 PolarHBondContact OE1-NH1 3.09Å; E1184-R1262 IonicContact OE1-NH2 3.12Å; E1184-R1262 PolarHBondContact OE1-NH2 3.08Å; E1184-R1262 IonicContact OE2-NH1 2.74Å; E1184-R1262 PolarHBondContact OE2-NH1 3.21Å; E1184-R1262 IonicContact OE2-NH2 3.64Å; E1185-R1262 HydrophobicContact CB-CG 4.47Å; E1185-R1262 WeakPolarHBondContact O-CD 3.12Å; E1185-R1262 VanDerWaalsContact O-CG 3.25Å; E1185-R1262 WeakPolarHBondContact O-CG 3.23Å; E1185-R1262 PolarHBondContact O-N 2.69Å; E1185-R1262 WeakPolarHBondContact OE1-CB 3.33Å; E1185-R1262 WeakPolarHBondContact OE1-CG 3.44Å; E1185-R1262 PolarHBondContact OE1-N 3.24Å; E1185-R1262 WeakPolarHBondContact OE2-CB 3.08Å; Q1186-R1262 HydrophobicContact CG-CB 4.37Å; P1187-R1262 VanDerWaalsContact CD-O 3.25Å; P1187-R1262 WeakPolarHBondContact CD-O 3.3Å; P1187-R1262 WeakPolarHBondContact CG-O 3.47Å; P1187-R1262 WeakPolarHBondContact O-CB 3.02Å; P1187-R1262 PolarHBondContact O-NH1 3.26Å; V1188-R1262 VanDerWaalsContact C-NH1 3.33Å; V1188-R1262 PolarHBondContact O-NH1 2.68Å; D1241-R1262 IonicContact OD1-NH2 2.73Å; D1241-R1262 IonicContact OD2-CZ 3.53Å; D1241-R1262 IonicContact OD2-NH1 3.6Å; D1241-R1262 PolarHBondContact OD2-NH1 2.7Å; D1241-R1262 IonicContact OD2-NH2 2.8Å; E1260-R1262 HydrophobicContact CG-CG 4.12Å; E1260-R1262 VanDerWaalsContact CG-NE 3.33Å; E1260-R1262 WeakPolarHBondContact O-CG 3.4Å; E1260-R1262 WeakPolarHBondContact OE1-CD 3.33Å; E1260-R1262 IonicContact OE1-CZ 2.94Å; E1260-R1262 IonicContact OE1-NE 3.28Å; E1260-R1262 PolarHBondContact OE1-NE 2.82Å; E1260-R1262 IonicContact OE1-NH1 2.83Å; E1260-R1262 PolarHBondContact OE1-NH1 2.86Å; E1260-R1262 IonicContact OE1-NH2 3.23Å; E1260-R1262 PolarHBondContact OE1-NH2 2.94Å; E1260-R1262 IonicContact OE2-CZ 2.73Å; E1260-R1262 IonicContact OE2-NE 3.19Å; E1260-R1262 IonicContact OE2-NH1 3.41Å; E1260-R1262 PolarHBondContact OE2-NH1 2.88Å; E1260-R1262 IonicContact OE2-NH2 2.88Å; E1260-R1262 PolarHBondContact OE2-NH2 3.11Å; R1262-V1264 WeakPolarHBondContact O-CG2 3.36Å; R1262-V1264 PolarHBondContact O-N 2.87Å; R1262-E1336 IonicContact CZ-OE1 2.76Å; R1262-E1336 IonicContact NE-OE1 3.28Å; R1262-E1336 PolarHBondContact NE-OE1 2.95Å; R1262-E1336 IonicContact NH2-OE1 3.78Å; R1262-E1336 PolarHBondContact NH2-OE1 2.97Å; R1262-E1336 IonicContact NH2-OE2 3.99Å; R1262-E1336 PolarHBondContact NH2-OE2 3.36Å; R1262-R1338 HydrophobicContact CG-CB 4.38Å
1263	P	38.1	Very low	44.4	Very low	47.2 Å²	47.2	56.6 Å²	56.6	31%	0.306	31%	0.314	S	S	.	.			trans	-71.3	128.1	171.5	7.9	-5.6	0	0	0	115	P1187 E1261 F1265 S1298 R1338 P1339 V1340	P1187-P1263 HydrophobicContact CG-CB 3.74Å; P1187-P1263 WeakPolarHBondContact O-CA 3.39Å; E1261-P1263 VanDerWaalsContact C-CD 3.43Å; E1261-P1263 VanDerWaalsContact CD-CD 3.4Å; E1261-P1263 WeakPolarHBondContact O-CD 2.82Å; E1261-P1263 WeakPolarHBondContact OE1-CD 3.16Å; E1261-P1263 WeakPolarHBondContact OE2-CD 3.12Å; E1261-P1263 WeakPolarHBondContact OE2-CG 3.15Å; P1263-F1265 HydrophobicContact CB-CD1 4.27Å; P1263-F1265 HydrophobicContact CB-CE1 3.35Å; P1263-F1265 HydrophobicContact CB-CE2 3.85Å; P1263-F1265 HydrophobicContact CB-CZ 3.93Å; P1263-F1265 HydrophobicContact CG-CE1 3.53Å; P1263-F1265 HydrophobicContact CG-CE2 4.37Å; P1263-F1265 HydrophobicContact CG-CZ 3.64Å; P1263-F1265 WeakPolarHBondContact O-CD1 3.3Å; P1263-F1265 WeakPolarHBondContact O-CD2 3.26Å; P1263-F1265 VanDerWaalsContact O-CE1 3.25Å; P1263-F1265 WeakPolarHBondContact O-CE1 3.05Å; P1263-F1265 WeakPolarHBondContact O-CE2 3.21Å; P1263-F1265 WeakPolarHBondContact O-CG 3.5Å; P1263-F1265 WeakPolarHBondContact O-CZ 3.49Å; P1263-S1298 WeakPolarHBondContact O-CB 3.41Å; P1263-S1298 PolarHBondContact O-OG 2.94Å; P1263-R1338 HydrophobicContact CB-CB 4.19Å; P1263-R1338 HydrophobicContact CB-CG 4.32Å; P1263-R1338 HydrophobicContact CG-CB 4.48Å; P1263-P1339 HydrophobicContact CB-CB 3.95Å; P1263-P1339 HydrophobicContact CG-CB 3.91Å; P1263-V1340 PolarHBondContact O-N 3.03Å
1264	V	40.1	Very low	43.6	Very low	48.6 Å²	48.6	57.3 Å²	57.3	30%	0.295	32%	0.319	S	S	.	.			trans	-96.9	112.5	-177.9	-158.4	0	0	0	0	115.6	P1187 V1188 F1189 H1190 R1262 H1266 T1299 Q1300 R1338 V1340 F1341	P1187-V1264 VanDerWaalsContact C-CG1 3.47Å; P1187-V1264 HydrophobicContact CB-CG1 3.85Å; P1187-V1264 HydrophobicContact CB-CG2 4.44Å; P1187-V1264 PolarHBondContact O-N 3.14Å; V1188-V1264 HydrophobicContact CG1-CB 4.48Å; V1188-V1264 HydrophobicContact CG2-CB 4.44Å; V1188-V1264 WeakPolarHBondContact O-CG1 2.9Å; F1189-V1264 PolarHBondContact N-O 3.02Å; H1190-V1264 HydrophobicContact CB-CG1 3.41Å; H1190-V1264 VanDerWaalsContact CB-CG1 3.41Å; R1262-V1264 WeakPolarHBondContact O-CG2 3.36Å; R1262-V1264 PolarHBondContact O-N 2.87Å; V1264-H1266 VanDerWaalsContact CG1-CE1 3.4Å; V1264-H1266 WeakPolarHBondContact CG1-CE1 3.08Å; V1264-H1266 PolarHBondContact O-N 3.35Å; V1264-H1266 PolarHBondContact O-ND1 2.66Å; V1264-T1299 WeakPolarHBondContact CG1-O 3.12Å; V1264-Q1300 HydrophobicContact CB-CB 4.32Å; V1264-Q1300 HydrophobicContact CB-CG 3.78Å; V1264-Q1300 HydrophobicContact CG2-CG 4.19Å; V1264-Q1300 WeakPolarHBondContact O-CB 2.86Å; V1264-Q1300 WeakPolarHBondContact O-CG 3.32Å; V1264-Q1300 PolarHBondContact O-NE2 3.43Å; V1264-R1338 WeakPolarHBondContact O-CD 3.46Å; V1264-V1340 HydrophobicContact CG2-CB 4.47Å; V1264-F1341 WeakPolarHBondContact O-CD1 3.32Å; V1264-F1341 WeakPolarHBondContact O-CE1 3.27Å
1265	F	38.8	Very low	42.9	Very low	77.6 Å²	77.6	60 Å²	60	34%	0.34	34%	0.335	S	S	.	.			trans	-104.2	108.8	-177.8	-64.1	-85.2	0	0	0	115.5	F1189 T1191 Q1216 V1218 E1260 E1261 P1263 T1267 Q1292 V1294 S1298 T1299 Q1300 T1333 P1335 E1336 E1337 R1338 P1339 V1340 F1341 H1342	F1189-F1265 HydrophobicContact CB-CD1 3.93Å; F1189-F1265 AromaticContact CD2-CD1 3.44Å; F1189-F1265 HydrophobicContact CD2-CD1 3.44Å; F1189-F1265 VanDerWaalsContact CD2-CD1 3.44Å; F1189-F1265 AromaticContact CD2-CE1 3.28Å; F1189-F1265 HydrophobicContact CD2-CE1 3.28Å; F1189-F1265 HydrophobicContact CD2-CG 4.35Å; F1189-F1265 HydrophobicContact CD2-CZ 4.08Å; F1189-F1265 HydrophobicContact CE2-CD1 4.15Å; F1189-F1265 AromaticContact CE2-CE1 3.5Å; F1189-F1265 HydrophobicContact CE2-CE1 3.5Å; F1189-F1265 VanDerWaalsContact CE2-CE1 3.5Å; F1189-F1265 HydrophobicContact CE2-CZ 4.04Å; F1189-F1265 AromaticContact CG-CD1 3.86Å; F1189-F1265 HydrophobicContact CG-CD1 3.86Å; F1189-F1265 AromaticContact CG-CE1 3.99Å; F1189-F1265 HydrophobicContact CG-CE1 3.99Å; F1189-F1265 HydrophobicContact CZ-CE1 4.35Å; T1191-F1265 PolarHBondContact OG1-O 2.68Å; Q1216-F1265 HydrophobicContact CG-CD1 4.43Å; Q1216-F1265 HydrophobicContact CG-CE1 4.34Å; Q1216-F1265 VanDerWaalsContact OE1-CD1 3.29Å; V1218-F1265 HydrophobicContact CB-CZ 4.26Å; V1218-F1265 HydrophobicContact CG2-CE1 3.63Å; V1218-F1265 HydrophobicContact CG2-CZ 3.63Å; E1260-F1265 HydrophobicContact CB-CD1 4.25Å; E1260-F1265 HydrophobicContact CB-CD2 3.87Å; E1260-F1265 HydrophobicContact CB-CE1 4.24Å; E1260-F1265 HydrophobicContact CB-CE2 3.87Å; E1260-F1265 HydrophobicContact CB-CG 4.1Å; E1260-F1265 HydrophobicContact CB-CZ 4.07Å; E1260-F1265 HydrophobicContact CG-CB 4.36Å; E1260-F1265 HydrophobicContact CG-CD2 3.83Å; E1260-F1265 HydrophobicContact CG-CE2 4.32Å; E1260-F1265 HydrophobicContact CG-CG 3.99Å; E1261-F1265 HydrophobicContact CB-CE2 4.15Å; E1261-F1265 VanDerWaalsContact O-CD2 3.23Å; E1261-F1265 WeakPolarHBondContact O-CD2 3.39Å; E1261-F1265 WeakPolarHBondContact O-CE2 2.97Å; P1263-F1265 HydrophobicContact CB-CD1 4.27Å; P1263-F1265 HydrophobicContact CB-CE1 3.35Å; P1263-F1265 HydrophobicContact CB-CE2 3.85Å; P1263-F1265 HydrophobicContact CB-CZ 3.93Å; P1263-F1265 HydrophobicContact CG-CE1 3.53Å; P1263-F1265 HydrophobicContact CG-CE2 4.37Å; P1263-F1265 HydrophobicContact CG-CZ 3.64Å; P1263-F1265 WeakPolarHBondContact O-CD1 3.3Å; P1263-F1265 WeakPolarHBondContact O-CD2 3.26Å; P1263-F1265 VanDerWaalsContact O-CE1 3.25Å; P1263-F1265 WeakPolarHBondContact O-CE1 3.05Å; P1263-F1265 WeakPolarHBondContact O-CE2 3.21Å; P1263-F1265 WeakPolarHBondContact O-CG 3.5Å; P1263-F1265 WeakPolarHBondContact O-CZ 3.49Å; F1265-T1267 PolarHBondContact O-N 2.73Å; F1265-Q1292 VanDerWaalsContact CB-NE2 3.34Å; F1265-V1294 HydrophobicContact CE2-CG2 3.69Å; F1265-V1294 HydrophobicContact CZ-CG2 3.64Å; F1265-S1298 WeakPolarHBondContact CD2-OG 2.73Å; F1265-S1298 VanDerWaalsContact CE2-CB 3.48Å; F1265-T1299 VanDerWaalsContact CA-CA 3.46Å; F1265-T1299 PolarHBondContact N-O 2.73Å; F1265-T1299 WeakPolarHBondContact O-CA 3.19Å; F1265-T1299 WeakPolarHBondContact O-CG2 3.28Å; F1265-Q1300 VanDerWaalsContact CA-N 3.28Å; F1265-Q1300 VanDerWaalsContact N-CA 3.29Å; F1265-T1333 HydrophobicContact CD1-CG2 4.36Å; F1265-P1335 HydrophobicContact CE1-CB 4.37Å; F1265-E1336 HydrophobicContact CE1-CB 4.33Å; F1265-E1337 WeakPolarHBondContact CZ-O 3.22Å; F1265-R1338 HydrophobicContact CD2-CB 4.35Å; F1265-R1338 HydrophobicContact CD2-CG 4.48Å; F1265-R1338 HydrophobicContact CE2-CB 3.99Å; F1265-R1338 VanDerWaalsContact CG-CZ 3.4Å; F1265-R1338 VanDerWaalsContact CZ-O 3.29Å; F1265-R1338 WeakPolarHBondContact CZ-O 2.9Å; F1265-P1339 VanDerWaalsContact CE1-C 3.4Å; F1265-P1339 VanDerWaalsContact CE1-CA 3.41Å; F1265-P1339 HydrophobicContact CE1-CB 4.16Å; F1265-P1339 VanDerWaalsContact CZ-CA 3.49Å; F1265-V1340 HydrophobicContact CB-CB 3.72Å; F1265-V1340 HydrophobicContact CB-CG1 4.39Å; F1265-V1340 HydrophobicContact CD1-CB 4.07Å; F1265-V1340 WeakPolarHBondContact CD1-O 3.47Å; F1265-V1340 HydrophobicContact CD2-CB 3.11Å; F1265-V1340 HydrophobicContact CD2-CG1 4.37Å; F1265-V1340 HydrophobicContact CD2-CG2 3.16Å; F1265-V1340 HydrophobicContact CE1-CB 4.36Å; F1265-V1340 VanDerWaalsContact CE1-O 3.23Å; F1265-V1340 WeakPolarHBondContact CE1-O 3.25Å; F1265-V1340 HydrophobicContact CE2-CB 3.53Å; F1265-V1340 HydrophobicContact CE2-CG2 3.16Å; F1265-V1340 VanDerWaalsContact CE2-N 3.31Å; F1265-V1340 VanDerWaalsContact CG-CA 3.44Å; F1265-V1340 HydrophobicContact CG-CB 3.39Å; F1265-V1340 HydrophobicContact CG-CG2 4.01Å; F1265-V1340 VanDerWaalsContact CG-O 3.29Å; F1265-V1340 WeakPolarHBondContact CG-O 3.36Å; F1265-V1340 HydrophobicContact CZ-CB 4.12Å; F1265-V1340 HydrophobicContact CZ-CG2 3.98Å; F1265-V1340 PolarHBondContact N-O 2.99Å; F1265-F1341 VanDerWaalsContact CA-CA 3.46Å; F1265-F1341 HydrophobicContact CB-CD1 4.24Å; F1265-F1341 AromaticContact CD1-CD1 3.88Å; F1265-F1341 HydrophobicContact CD1-CD1 3.88Å; F1265-F1341 HydrophobicContact CD1-CE1 4.49Å; F1265-F1341 AromaticContact CD2-CD1 3.41Å; F1265-F1341 HydrophobicContact CD2-CD1 3.41Å; F1265-F1341 VanDerWaalsContact CD2-CD1 3.41Å; F1265-F1341 AromaticContact CD2-CE1 3.3Å; F1265-F1341 HydrophobicContact CD2-CE1 3.3Å; F1265-F1341 HydrophobicContact CD2-CG 4.35Å; F1265-F1341 HydrophobicContact CD2-CZ 4.16Å; F1265-F1341 HydrophobicContact CE2-CD1 4.09Å; F1265-F1341 AromaticContact CE2-CE1 3.47Å; F1265-F1341 HydrophobicContact CE2-CE1 3.47Å; F1265-F1341 VanDerWaalsContact CE2-CE1 3.47Å; F1265-F1341 HydrophobicContact CE2-CZ 4.05Å; F1265-F1341 AromaticContact CG-CD1 3.93Å; F1265-F1341 HydrophobicContact CG-CD1 3.93Å; F1265-F1341 HydrophobicContact CG-CE1 4.07Å; F1265-F1341 HydrophobicContact CZ-CE1 4.35Å; F1265-F1341 CarbonylContact O-C 2.88Å; F1265-F1341 VanDerWaalsContact O-CA 3.23Å; F1265-F1341 WeakPolarHBondContact O-CA 3.43Å; F1265-H1342 PolarHBondContact O-N 2.82Å
1266	H	40	Very low	42.1	Very low	80.8 Å²	80.8	59.8 Å²	59.8	37%	0.374	34%	0.342	S	S	.	.			trans	-98	135.2	-172.6	-93.3	89.2	0	0	0	116	F1189 H1190 T1191 S1217 V1264 V1268 Q1300 T1301 D1302 H1342	F1189-H1266 PolarHBondContact O-N 3.04Å; H1190-H1266 AromaticContact CD2-CE1 3.78Å; H1190-H1266 AromaticContact CD2-CG 3.71Å; H1190-H1266 AromaticContact CD2-ND1 3.49Å; H1190-H1266 PolarHBondContact CD2-ND1 3.25Å; H1190-H1266 AromaticContact CE1-NE2 3.49Å; H1190-H1266 PolarHBondContact CE1-NE2 3.35Å; H1190-H1266 AromaticContact ND1-CD2 3.63Å; H1190-H1266 AromaticContact ND1-CE1 3.75Å; H1190-H1266 AromaticContact ND1-NE2 2.96Å; H1190-H1266 PolarHBondContact ND1-NE2 2.57Å; H1190-H1266 AromaticContact NE2-CE1 3.85Å; H1190-H1266 AromaticContact NE2-CG 3.81Å; H1190-H1266 AromaticContact NE2-ND1 3.15Å; H1190-H1266 PolarHBondContact NE2-ND1 3.24Å; H1190-H1266 VanDerWaalsContact NE2-ND1 3.15Å; T1191-H1266 PolarHBondContact N-O 2.81Å; T1191-H1266 WeakPolarHBondContact OG1-CA 3.42Å; S1217-H1266 PolarHBondContact OG-CE1 2.75Å; S1217-H1266 VanDerWaalsContact OG-CE1 3.23Å; V1264-H1266 VanDerWaalsContact CG1-CE1 3.4Å; V1264-H1266 WeakPolarHBondContact CG1-CE1 3.08Å; V1264-H1266 PolarHBondContact O-N 3.35Å; V1264-H1266 PolarHBondContact O-ND1 2.66Å; H1266-V1268 VanDerWaalsContact CD2-CG2 3.44Å; H1266-V1268 WeakPolarHBondContact CD2-CG2 2.99Å; H1266-V1268 WeakPolarHBondContact NE2-CG2 3.35Å; H1266-V1268 PolarHBondContact NE2-N 2.89Å; H1266-Q1300 WeakPolarHBondContact CA-O 3.41Å; H1266-Q1300 HydrophobicContact CB-CB 3.93Å; H1266-Q1300 VanDerWaalsContact CB-O 3.27Å; H1266-Q1300 WeakPolarHBondContact CB-O 2.99Å; H1266-Q1300 VanDerWaalsContact CG-O 3.24Å; H1266-Q1300 PolarHBondContact ND1-O 3.39Å; H1266-T1301 WeakPolarHBondContact CB-O 3.46Å; H1266-D1302 VanDerWaalsContact CD2-CB 3.49Å; H1266-D1302 WeakPolarHBondContact CD2-CB 3.32Å; H1266-H1342 CarbonylContact C-O 3.58Å; H1266-H1342 WeakPolarHBondContact CA-O 3.23Å; H1266-H1342 HydrophobicContact CB-CB 3.96Å; H1266-H1342 VanDerWaalsContact CD2-CB 3.47Å; H1266-H1342 WeakPolarHBondContact CD2-CB 3.39Å; H1266-H1342 AromaticContact CD2-CG 3.68Å; H1266-H1342 AromaticContact CD2-ND1 3.46Å; H1266-H1342 PolarHBondContact CD2-ND1 3.29Å; H1266-H1342 AromaticContact NE2-CE1 3.84Å; H1266-H1342 AromaticContact NE2-CG 3.78Å; H1266-H1342 AromaticContact NE2-ND1 3.09Å; H1266-H1342 PolarHBondContact NE2-ND1 2.91Å; H1266-H1342 CarbonylContact O-C 3.52Å; H1266-H1342 WeakPolarHBondContact O-CA 3.4Å; H1266-H1342 PolarHBondContact O-N 2.8Å
1267	T	39.6	Very low	41.3	Very low	64.6 Å²	64.6	66.9 Å²	66.9	40%	0.396	37%	0.372	S	S	.	.			trans	-131.9	143.2	171.1	-20.6	0	0	0	0	114.7	T1191 M1214 Q1216 S1217 F1265 V1270 M1290 S1293 E1295 V1331 H1342 T1343 V1344	T1191-T1267 VanDerWaalsContact O-CA 3.28Å; T1191-T1267 WeakPolarHBondContact O-CA 3.42Å; T1191-T1267 PolarHBondContact OG1-N 2.73Å; M1214-T1267 HydrophobicContact CE-CG2 4Å; M1214-T1267 HydrophobicContact SD-CG2 3.86Å; Q1216-T1267 HydrophobicContact CB-CG2 3.72Å; Q1216-T1267 HydrophobicContact CG-CG2 4.23Å; Q1216-T1267 VanDerWaalsContact O-CB 3.24Å; Q1216-T1267 WeakPolarHBondContact O-CB 3.02Å; Q1216-T1267 WeakPolarHBondContact O-CG2 3.02Å; S1217-T1267 VanDerWaalsContact CA-CB 3.49Å; S1217-T1267 WeakPolarHBondContact CA-OG1 3.46Å; S1217-T1267 WeakPolarHBondContact CB-OG1 3.34Å; F1265-T1267 PolarHBondContact O-N 2.73Å; T1267-V1270 HydrophobicContact CG2-CG2 3.85Å; T1267-M1290 HydrophobicContact CG2-CE 4.06Å; T1267-M1290 HydrophobicContact CG2-SD 4.02Å; T1267-S1293 WeakPolarHBondContact CB-OG 3.26Å; T1267-S1293 WeakPolarHBondContact CG2-O 3.12Å; T1267-S1293 WeakPolarHBondContact CG2-OG 2.93Å; T1267-S1293 PolarHBondContact OG1-O 3.09Å; T1267-S1293 PolarHBondContact OG1-OG 2.74Å; T1267-E1295 PolarHBondContact OG1-OE2 3.35Å; T1267-V1331 WeakPolarHBondContact O-CG2 3.11Å; T1267-H1342 HydrophobicContact CG2-CB 4.35Å; T1267-H1342 PolarHBondContact N-O 3.04Å; T1267-T1343 WeakPolarHBondContact CA-OG1 3.31Å; T1267-T1343 PolarHBondContact N-OG1 2.59Å; T1267-T1343 CarbonylContact O-C 3.49Å; T1267-T1343 WeakPolarHBondContact O-CA 3.39Å; T1267-T1343 WeakPolarHBondContact O-CB 3.42Å; T1267-T1343 WeakPolarHBondContact O-CG2 3.33Å; T1267-T1343 PolarHBondContact O-OG1 2.74Å; T1267-T1343 PolarHBondContact OG1-N 2.78Å; T1267-V1344 HydrophobicContact CG2-CG2 3.86Å; T1267-V1344 VanDerWaalsContact O-CG2 3.32Å; T1267-V1344 WeakPolarHBondContact O-CG2 3.48Å; T1267-V1344 PolarHBondContact O-N 2.77Å; T1267-V1344 VanDerWaalsContact O-N 3.08Å
1268	V	40.2	Very low	40.8	Very low	71.2 Å²	71.2	69.1 Å²	69.1	43%	0.432	38%	0.383	S	S	.	.			trans	-73	156.7	-178	-166.5	0	0	0	0	113.8	T1191 V1192 R1215 Q1216 H1266 V1270 V1331 T1343 V1344 N1345 V1407 Q1408 T1409	T1191-V1268 PolarHBondContact O-N 3.4Å; V1192-V1268 HydrophobicContact CG1-CB 4.08Å; V1192-V1268 HydrophobicContact CG1-CG2 4.09Å; V1192-V1268 CarbonylContact O-C 3.57Å; V1192-V1268 WeakPolarHBondContact O-CA 3.42Å; V1192-V1268 VanDerWaalsContact O-CB 3.3Å; V1192-V1268 WeakPolarHBondContact O-CB 3.41Å; V1192-V1268 PolarHBondContact O-N 3.03Å; R1215-V1268 HydrophobicContact CG-CG1 4.33Å; Q1216-V1268 PolarHBondContact O-N 3.22Å; H1266-V1268 VanDerWaalsContact CD2-CG2 3.44Å; H1266-V1268 WeakPolarHBondContact CD2-CG2 2.99Å; H1266-V1268 WeakPolarHBondContact NE2-CG2 3.35Å; H1266-V1268 PolarHBondContact NE2-N 2.89Å; V1268-V1270 HydrophobicContact CG1-CG2 4.09Å; V1268-V1331 VanDerWaalsContact C-CG2 3.41Å; V1268-V1331 WeakPolarHBondContact O-CG2 3.19Å; V1268-T1343 HydrophobicContact CB-CG2 3.86Å; V1268-T1343 HydrophobicContact CG2-CG2 3.48Å; V1268-T1343 VanDerWaalsContact CG2-CG2 3.48Å; V1268-V1344 HydrophobicContact CG1-CB 4.24Å; V1268-V1344 HydrophobicContact CG1-CG2 4.45Å; V1268-V1344 HydrophobicContact CG2-CB 3.89Å; V1268-V1344 HydrophobicContact CG2-CG2 3.77Å; V1268-V1344 WeakPolarHBondContact O-CB 3.45Å; V1268-N1345 PolarHBondContact O-N 3.01Å; V1268-V1407 HydrophobicContact CG1-CB 4.13Å; V1268-V1407 HydrophobicContact CG1-CG1 4Å; V1268-Q1408 VanDerWaalsContact CG1-C 3.4Å; V1268-Q1408 WeakPolarHBondContact CG1-O 3.42Å; V1268-T1409 HydrophobicContact CB-CG2 3.96Å; V1268-T1409 HydrophobicContact CG1-CG2 3.66Å; V1268-T1409 HydrophobicContact CG2-CG2 3.83Å
1269	S	37.4	Very low	40.1	Very low	57 Å²	57	74.3 Å²	74.3	40%	0.399	41%	0.406	S	S	.	.			trans	-148.6	130.6	172.3	-128.2	0	0	0	0	113.8	V1192 N1193 V1194 M1214 R1215 R1291 S1330 N1345 V1407 Q1408	V1192-S1269 PolarHBondContact O-N 3.01Å; N1193-S1269 WeakPolarHBondContact CA-O 3.42Å; N1193-S1269 VanDerWaalsContact OD1-CB 3.28Å; N1193-S1269 WeakPolarHBondContact OD1-CB 3.41Å; V1194-S1269 PolarHBondContact N-O 2.97Å; M1214-S1269 CarbonylContact C-O 2.82Å; M1214-S1269 WeakPolarHBondContact CA-O 3.5Å; M1214-S1269 WeakPolarHBondContact CB-O 3.49Å; M1214-S1269 WeakPolarHBondContact CB-OG 2.99Å; M1214-S1269 WeakPolarHBondContact CG-OG 3.34Å; M1214-S1269 PolarHBondContact N-O 3.22Å; M1214-S1269 CarbonylContact O-C 2.78Å; M1214-S1269 PolarHBondContact SD-OG 3.13Å; R1215-S1269 VanDerWaalsContact CA-N 3.31Å; R1215-S1269 VanDerWaalsContact N-CB 3.34Å; R1215-S1269 WeakPolarHBondContact O-CB 3.46Å; S1269-R1291 WeakPolarHBondContact CB-O 3.46Å; S1269-R1291 VanDerWaalsContact O-CG 3.31Å; S1269-R1291 WeakPolarHBondContact O-CG 3.35Å; S1269-R1291 WeakPolarHBondContact OG-CA 2.98Å; S1269-R1291 WeakPolarHBondContact OG-CB 3.29Å; S1269-R1291 WeakPolarHBondContact OG-CG 3.29Å; S1269-R1291 PolarHBondContact OG-N 3.18Å; S1269-R1291 PolarHBondContact OG-O 3.45Å; S1269-S1330 CarbonylContact C-O 3.47Å; S1269-S1330 VanDerWaalsContact C-O 3.23Å; S1269-N1345 WeakPolarHBondContact CA-O 3.35Å; S1269-V1407 CarbonylContact O-C 3.59Å; S1269-V1407 WeakPolarHBondContact O-CA 3.05Å; S1269-Q1408 WeakPolarHBondContact O-CA 3.34Å; S1269-Q1408 PolarHBondContact O-N 2.91Å
1270	V	41.8	Very low	39.5	Very low	62.6 Å²	62.6	76.9 Å²	76.9	38%	0.379	43%	0.425	S	S	.	.			trans	-119.5	124.9	-179.1	177.9	0	0	0	0	111.9	V1194 T1213 M1214 R1215 T1267 V1268 V1272 M1290 R1291 S1330 N1345 V1346 G1347 M1366 C1403 V1407 Q1408 H1478	V1194-V1270 HydrophobicContact CB-CG2 4.42Å; V1194-V1270 WeakPolarHBondContact O-CA 3.38Å; T1213-V1270 HydrophobicContact CG2-CB 3.95Å; T1213-V1270 HydrophobicContact CG2-CG1 3.84Å; T1213-V1270 HydrophobicContact CG2-CG2 3.81Å; M1214-V1270 HydrophobicContact CB-CG1 4.34Å; M1214-V1270 HydrophobicContact CB-CG2 4.15Å; M1214-V1270 VanDerWaalsContact O-CA 3.31Å; M1214-V1270 WeakPolarHBondContact O-CA 3.49Å; M1214-V1270 WeakPolarHBondContact O-CG2 3.13Å; M1214-V1270 PolarHBondContact O-N 3.35Å; M1214-V1270 VanDerWaalsContact O-N 3.14Å; M1214-V1270 HydrophobicContact SD-CG2 3.77Å; R1215-V1270 HydrophobicContact CG-CG2 3.99Å; T1267-V1270 HydrophobicContact CG2-CG2 3.85Å; V1268-V1270 HydrophobicContact CG1-CG2 4.09Å; V1270-V1272 HydrophobicContact CG1-CG2 3.9Å; V1270-M1290 HydrophobicContact CG2-CB 4.37Å; V1270-M1290 HydrophobicContact CG2-SD 4.2Å; V1270-R1291 PolarHBondContact O-NE 2.89Å; V1270-R1291 PolarHBondContact O-NH2 2.96Å; V1270-S1330 WeakPolarHBondContact CB-O 3.26Å; V1270-S1330 WeakPolarHBondContact CG2-O 3.27Å; V1270-S1330 PolarHBondContact N-O 3.17Å; V1270-S1330 PolarHBondContact O-N 2.77Å; V1270-N1345 PolarHBondContact N-O 2.92Å; V1270-V1346 HydrophobicContact CB-CG2 4.46Å; V1270-G1347 PolarHBondContact O-N 2.97Å; V1270-M1366 HydrophobicContact CG2-CE 3.9Å; V1270-C1403 HydrophobicContact CG1-CB 3.99Å; V1270-V1407 WeakPolarHBondContact CA-O 3.42Å; V1270-Q1408 HydrophobicContact CG2-CB 4.42Å; V1270-Q1408 HydrophobicContact CG2-CG 3.84Å; V1270-H1478 HydrophobicContact CG1-CB 4.46Å
1271	G	42.3	Very low	39.4	Very low	33.4 Å²	33.4	76 Å²	76	34%	0.344	42%	0.424	S	S	.	.			trans	-174.4	135.4	163.6	0	0	0	0	0	119.5	V1194 A1212 T1289 L1348 C1403 A1404 S1406 H1478 C1479	V1194-G1271 PolarHBondContact O-N 3.06Å; V1194-G1271 VanDerWaalsContact O-N 3.16Å; A1212-G1271 WeakPolarHBondContact CB-O 3.44Å; G1271-T1289 WeakPolarHBondContact O-CB 3.11Å; G1271-T1289 WeakPolarHBondContact O-CG2 3.04Å; G1271-T1289 PolarHBondContact O-OG1 2.85Å; G1271-L1348 PolarHBondContact O-N 3.1Å; G1271-C1403 WeakPolarHBondContact CA-O 3.24Å; G1271-C1403 WeakPolarHBondContact CA-SG 3.17Å; G1271-A1404 CarbonylContact C-O 3.21Å; G1271-S1406 PolarHBondContact O-OG 3.43Å; G1271-H1478 PolarHBondContact N-O 2.73Å; G1271-H1478 VanDerWaalsContact O-O 3.11Å; G1271-C1479 WeakPolarHBondContact O-CA 3.38Å
1272	V	45.4	Very low	39.3	Very low	52.4 Å²	52.4	77.8 Å²	77.8	32%	0.318	44%	0.435	S	S	.	.			trans	-142.1	128.2	155.7	-174.3	0	0	0	0	109.4	L1196 L1210 Q1211 A1212 V1270 L1274 V1286 A1288 T1289 L1348 D1349 H1402 C1403 A1404 H1426 H1478 C1479	L1196-V1272 HydrophobicContact CB-CG1 4.41Å; L1196-V1272 HydrophobicContact CB-CG2 4.44Å; L1196-V1272 HydrophobicContact CD2-CG1 4.45Å; L1210-V1272 WeakPolarHBondContact O-CG1 3.14Å; Q1211-V1272 WeakPolarHBondContact CA-O 3Å; Q1211-V1272 WeakPolarHBondContact CB-O 3.26Å; Q1211-V1272 WeakPolarHBondContact CG-O 2.86Å; Q1211-V1272 PolarHBondContact NE2-O 2.79Å; A1212-V1272 HydrophobicContact CB-CB 4Å; A1212-V1272 HydrophobicContact CB-CG2 3.62Å; A1212-V1272 VanDerWaalsContact N-CB 3.28Å; A1212-V1272 PolarHBondContact N-O 3.21Å; A1212-V1272 PolarHBondContact O-N 3.35Å; A1212-V1272 VanDerWaalsContact O-O 3.05Å; V1270-V1272 HydrophobicContact CG1-CG2 3.9Å; V1272-L1274 HydrophobicContact CG1-CG 4.47Å; V1272-V1286 HydrophobicContact CB-CG1 4.34Å; V1272-V1286 HydrophobicContact CG1-CG1 3.78Å; V1272-A1288 VanDerWaalsContact CG2-CA 3.4Å; V1272-A1288 HydrophobicContact CG2-CB 4.21Å; V1272-T1289 VanDerWaalsContact CG2-N 3.28Å; V1272-T1289 VanDerWaalsContact CG2-OG1 3.27Å; V1272-T1289 WeakPolarHBondContact CG2-OG1 3.36Å; V1272-T1289 PolarHBondContact N-OG1 3.06Å; V1272-L1348 HydrophobicContact CB-CD1 4.27Å; V1272-L1348 HydrophobicContact CB-CD2 3.63Å; V1272-L1348 HydrophobicContact CG1-CD1 3.64Å; V1272-L1348 HydrophobicContact CG1-CD2 3.23Å; V1272-L1348 HydrophobicContact CG2-CD2 3.75Å; V1272-D1349 PolarHBondContact O-N 2.82Å; V1272-H1402 VanDerWaalsContact CG2-CD2 3.45Å; V1272-H1402 WeakPolarHBondContact CG2-CD2 3.48Å; V1272-H1402 WeakPolarHBondContact CG2-NE2 3.29Å; V1272-H1402 PolarHBondContact O-CE1 3Å; V1272-C1403 VanDerWaalsContact CG2-SG 3.58Å; V1272-A1404 CarbonylContact C-O 3.51Å; V1272-A1404 WeakPolarHBondContact CA-O 3.09Å; V1272-A1404 PolarHBondContact N-O 3.17Å; V1272-A1404 WeakPolarHBondContact O-CA 3.21Å; V1272-A1404 PolarHBondContact O-N 2.75Å; V1272-H1426 HydrophobicContact CG1-CB 4.05Å; V1272-H1478 HydrophobicContact CG2-CB 3.94Å; V1272-H1478 VanDerWaalsContact CG2-CG 3.45Å; V1272-C1479 VanDerWaalsContact CG1-O 3.31Å; V1272-C1479 WeakPolarHBondContact CG1-O 2.97Å
1273	D	42.5	Very low	39.3	Very low	81.2 Å²	81.2	78.3 Å²	78.3	43%	0.434	44%	0.438	S	S	.	.			trans	-112.1	147.6	-179	-128.2	-12.5	0	0	0	113.2	K1133 L1196 H1198 T1199 Q1211 T1275 L1348 H1350 A1404	K1133-D1273 WeakPolarHBondContact CE-OD1 3.26Å; K1133-D1273 VanDerWaalsContact NZ-CG 3.35Å; K1133-D1273 IonicContact NZ-OD1 3.62Å; K1133-D1273 PolarHBondContact NZ-OD1 3.22Å; K1133-D1273 IonicContact NZ-OD2 3.76Å; K1133-D1273 PolarHBondContact NZ-OD2 3.16Å; L1196-D1273 PolarHBondContact O-N 2.77Å; L1196-D1273 VanDerWaalsContact O-N 3.14Å; H1198-D1273 WeakPolarHBondContact CA-OD1 3.33Å; H1198-D1273 WeakPolarHBondContact CB-OD1 3.28Å; H1198-D1273 PolarHBondContact N-O 2.87Å; T1199-D1273 WeakPolarHBondContact CA-OD2 3.09Å; T1199-D1273 WeakPolarHBondContact CB-OD2 3.06Å; T1199-D1273 PolarHBondContact N-OD1 2.8Å; T1199-D1273 VanDerWaalsContact N-OD1 3.13Å; T1199-D1273 PolarHBondContact N-OD2 3.43Å; T1199-D1273 PolarHBondContact OG1-OD2 2.74Å; Q1211-D1273 VanDerWaalsContact CD-CG 3.47Å; Q1211-D1273 PolarHBondContact NE2-OD1 2.97Å; Q1211-D1273 PolarHBondContact NE2-OD2 3.26Å; Q1211-D1273 PolarHBondContact OE1-OD2 2.89Å; D1273-T1275 HydrophobicContact CB-CG2 4.47Å; D1273-L1348 PolarHBondContact N-O 3.37Å; D1273-H1350 PolarHBondContact O-CD2 2.88Å; D1273-A1404 PolarHBondContact N-O 3.48Å
1274	L	44.2	Very low	39.4	Very low	74.4 Å²	74.4	81.5 Å²	81.5	39%	0.39	45%	0.448	S	S	.	.			trans	-138.8	107.8	178.1	-100.9	176.1	0	0	0	111.7	K1133 H1198 L1205 K1209 L1210 V1272 G1276 Y1283 V1286 D1349 H1350 T1351	K1133-L1274 WeakPolarHBondContact CD-O 3.36Å; H1198-L1274 HydrophobicContact CB-CD2 4.1Å; L1205-L1274 HydrophobicContact CD1-CD2 4.47Å; K1209-L1274 VanDerWaalsContact C-CB 3.45Å; K1209-L1274 HydrophobicContact CB-CB 3.63Å; K1209-L1274 VanDerWaalsContact CD-CA 3.46Å; K1209-L1274 HydrophobicContact CD-CB 3.27Å; K1209-L1274 HydrophobicContact CD-CD1 4.11Å; K1209-L1274 HydrophobicContact CD-CD2 3.5Å; K1209-L1274 VanDerWaalsContact CD-CD2 3.5Å; K1209-L1274 HydrophobicContact CD-CG 3.77Å; K1209-L1274 HydrophobicContact CG-CB 4.01Å; K1209-L1274 VanDerWaalsContact NZ-CD2 3.32Å; L1210-L1274 HydrophobicContact CB-CD1 4.26Å; L1210-L1274 HydrophobicContact CD1-CD1 4.16Å; L1210-L1274 HydrophobicContact CD1-CD2 3.69Å; L1210-L1274 HydrophobicContact CD1-CG 4.45Å; L1210-L1274 WeakPolarHBondContact O-CB 3.23Å; L1210-L1274 WeakPolarHBondContact O-CD1 3.37Å; L1210-L1274 WeakPolarHBondContact O-CG 3.3Å; V1272-L1274 HydrophobicContact CG1-CG 4.47Å; L1274-G1276 PolarHBondContact O-N 3.45Å; L1274-Y1283 HydrophobicContact CD2-CE2 4.35Å; L1274-V1286 HydrophobicContact CD1-CB 3.44Å; L1274-V1286 VanDerWaalsContact CD1-CB 3.44Å; L1274-V1286 HydrophobicContact CD1-CG1 4.06Å; L1274-V1286 HydrophobicContact CD1-CG2 3.92Å; L1274-V1286 HydrophobicContact CD2-CB 3.7Å; L1274-V1286 HydrophobicContact CD2-CG1 3.72Å; L1274-V1286 HydrophobicContact CD2-CG2 3.68Å; L1274-V1286 HydrophobicContact CG-CB 3.91Å; L1274-V1286 HydrophobicContact CG-CG1 4.1Å; L1274-V1286 HydrophobicContact CG-CG2 4.34Å; L1274-D1349 PolarHBondContact N-O 2.94Å; L1274-H1350 HydrophobicContact CD2-CB 3.36Å; L1274-T1351 PolarHBondContact O-N 2.84Å
1275	T	39.2	Very low	39.7	Very low	82 Å²	82	83.6 Å²	83.6	50%	0.503	46%	0.458	S	S	.	.			trans	-117.5	108.6	-169.9	52.4	0	0	0	0	114.7	T1199 K1201 K1209 D1273 H1350 E1352	T1199-T1275 WeakPolarHBondContact O-CG2 3.3Å; K1201-T1275 HydrophobicContact CD-CG2 4.34Å; K1201-T1275 WeakPolarHBondContact CD-OG1 3.37Å; K1201-T1275 WeakPolarHBondContact CE-OG1 3.32Å; K1201-T1275 HydrophobicContact CG-CG2 4.04Å; K1201-T1275 WeakPolarHBondContact CG-OG1 3.16Å; K1201-T1275 PolarHBondContact NZ-OG1 2.74Å; K1209-T1275 VanDerWaalsContact CD-C 3.42Å; K1209-T1275 WeakPolarHBondContact CE-O 2.87Å; K1209-T1275 VanDerWaalsContact NZ-C 3.29Å; K1209-T1275 PolarHBondContact NZ-O 2.74Å; K1209-T1275 PolarHBondContact NZ-OG1 2.71Å; D1273-T1275 HydrophobicContact CB-CG2 4.47Å; T1275-H1350 HydrophobicContact CG2-CB 4.36Å; T1275-H1350 WeakPolarHBondContact CG2-O 3.44Å; T1275-H1350 PolarHBondContact N-CE1 3.27Å; T1275-H1350 PolarHBondContact N-ND1 3.23Å; T1275-H1350 VanDerWaalsContact N-ND1 3.13Å; T1275-H1350 PolarHBondContact O-CE1 3.06Å; T1275-H1350 PolarHBondContact O-ND1 3.08Å; T1275-H1350 PolarHBondContact OG1-O 2.78Å; T1275-E1352 VanDerWaalsContact O-CB 3.27Å; T1275-E1352 WeakPolarHBondContact O-CB 3.37Å; T1275-E1352 PolarHBondContact O-N 2.69Å
1276	G	40.8	Very low	40	Very low	41.2 Å²	41.2	82.6 Å²	82.6	43%	0.425	46%	0.459	S	S	.	.			trans	-149.1	146.8	178	0	0	0	0	0	115.8	S1202 L1274 L1278 E1352	S1202-G1276 WeakPolarHBondContact CB-O 3.49Å; S1202-G1276 PolarHBondContact OG-O 2.97Å; L1274-G1276 PolarHBondContact O-N 3.45Å; G1276-L1278 VanDerWaalsContact C-CD2 3.49Å; G1276-L1278 PolarHBondContact O-N 3.09Å; G1276-E1352 CarbonylContact C-O 3.56Å; G1276-E1352 WeakPolarHBondContact CA-O 3.41Å
1277	K	35.6	Very low	40.3	Very low	187.8 Å²	187.8	83.9 Å²	83.9	82%	0.817	47%	0.465	S	S	*	.			trans	-93	113.7	170.6	-95.4	178.8	-176.3	176	0	110.6	Q1279 E1352 P1355	K1277-Q1279 PolarHBondContact O-N 2.96Å; K1277-E1352 PolarHBondContact N-O 2.73Å; K1277-E1352 VanDerWaalsContact N-O 3.16Å; K1277-P1355 WeakPolarHBondContact O-CG 3.47Å
1278	L	38.4	Very low	40.4	Very low	74.6 Å²	74.6	82.8 Å²	82.8	39%	0.391	46%	0.462	S	S	.	.			trans	-126.8	124.6	171.6	-84.3	169.9	0	0	0	112.5	E1200 S1204 L1205 V1206 G1207 G1276 S1280 V1281 Y1283 E1352 S1354	E1200-L1278 HydrophobicContact CB-CD2 3.9Å; E1200-L1278 HydrophobicContact CG-CD1 4.36Å; E1200-L1278 HydrophobicContact CG-CD2 4.24Å; S1204-L1278 WeakPolarHBondContact OG-CB 3.43Å; L1205-L1278 HydrophobicContact CD2-CD1 4.05Å; L1205-L1278 HydrophobicContact CG-CD1 4.14Å; V1206-L1278 HydrophobicContact CG1-CB 3.63Å; V1206-L1278 HydrophobicContact CG1-CG 4.08Å; V1206-L1278 WeakPolarHBondContact CG1-O 2.84Å; V1206-L1278 WeakPolarHBondContact O-CD1 2.83Å; V1206-L1278 WeakPolarHBondContact O-CG 2.96Å; G1207-L1278 WeakPolarHBondContact O-CD2 3.27Å; G1276-L1278 VanDerWaalsContact C-CD2 3.49Å; G1276-L1278 PolarHBondContact O-N 3.09Å; L1278-S1280 PolarHBondContact O-N 3.13Å; L1278-S1280 VanDerWaalsContact O-N 3.15Å; L1278-V1281 HydrophobicContact CB-CB 4.34Å; L1278-V1281 HydrophobicContact CB-CG2 3.81Å; L1278-V1281 HydrophobicContact CD1-CB 4.49Å; L1278-V1281 HydrophobicContact CD1-CG2 4.35Å; L1278-V1281 HydrophobicContact CD2-CG2 4.22Å; L1278-V1281 HydrophobicContact CG-CG2 4.37Å; L1278-Y1283 HydrophobicContact CD1-CE2 4.49Å; L1278-E1352 VanDerWaalsContact CD2-OE1 3.32Å; L1278-E1352 WeakPolarHBondContact CD2-OE1 3.34Å; L1278-S1354 WeakPolarHBondContact O-CB 3.45Å
1279	Q	32.1	Very low	40.5	Very low	159.6 Å²	159.6	81.7 Å²	81.7	75%	0.746	46%	0.456	S	S	*	.	S	Bend	trans	-106.6	117.8	176.6	-67.4	175.9	-78.7	0	0	111.1	S1204 V1206 K1277 V1281 P1355	S1204-Q1279 PolarHBondContact N-O 2.95Å; V1206-Q1279 VanDerWaalsContact CG1-N 3.28Å; K1277-Q1279 PolarHBondContact O-N 2.96Å; Q1279-V1281 VanDerWaalsContact C-N 3.32Å; Q1279-V1281 WeakPolarHBondContact O-CG2 3.45Å; Q1279-V1281 PolarHBondContact O-N 2.82Å; Q1279-P1355 HydrophobicContact CB-CB 4.26Å; Q1279-P1355 HydrophobicContact CB-CG 4.43Å; Q1279-P1355 HydrophobicContact CG-CB 4.4Å; Q1279-P1355 HydrophobicContact CG-CG 4.09Å
1280	S	34.1	Very low	40.7	Very low	95.2 Å²	95.2	82.9 Å²	82.9	67%	0.666	46%	0.456	S	S	*	.			trans	73.9	86	173.1	94.2	0	0	0	0	112.9	S1204 L1278 L1282	S1204-S1280 WeakPolarHBondContact O-CA 3.18Å; S1204-S1280 PolarHBondContact OG-N 2.68Å; L1278-S1280 PolarHBondContact O-N 3.13Å; L1278-S1280 VanDerWaalsContact O-N 3.15Å; S1280-L1282 PolarHBondContact O-N 2.78Å
1281	V	38.9	Very low	40.8	Very low	46.8 Å²	46.8	85.5 Å²	85.5	28%	0.284	46%	0.459	S	S	.	.			trans	-110.1	116.8	173.7	177.4	0	0	0	0	111.8	L1205 V1206 G1207 L1278 Q1279 Y1283 E1352 P1355 L1357 K1360	L1205-V1281 HydrophobicContact CB-CG1 4.27Å; L1205-V1281 HydrophobicContact CB-CG2 4.41Å; V1206-V1281 CarbonylContact C-O 3.51Å; V1206-V1281 VanDerWaalsContact C-O 3.29Å; V1206-V1281 WeakPolarHBondContact CA-O 3.43Å; V1206-V1281 HydrophobicContact CG1-CB 4.03Å; V1206-V1281 HydrophobicContact CG1-CG2 4.25Å; V1206-V1281 PolarHBondContact N-O 3.38Å; G1207-V1281 WeakPolarHBondContact CA-O 3.5Å; G1207-V1281 PolarHBondContact N-O 3.1Å; L1278-V1281 HydrophobicContact CB-CB 4.34Å; L1278-V1281 HydrophobicContact CB-CG2 3.81Å; L1278-V1281 HydrophobicContact CD1-CB 4.49Å; L1278-V1281 HydrophobicContact CD1-CG2 4.35Å; L1278-V1281 HydrophobicContact CD2-CG2 4.22Å; L1278-V1281 HydrophobicContact CG-CG2 4.37Å; Q1279-V1281 VanDerWaalsContact C-N 3.32Å; Q1279-V1281 WeakPolarHBondContact O-CG2 3.45Å; Q1279-V1281 PolarHBondContact O-N 2.82Å; V1281-Y1283 VanDerWaalsContact C-N 3.31Å; V1281-Y1283 HydrophobicContact CB-CD2 3.61Å; V1281-Y1283 HydrophobicContact CB-CE2 3.75Å; V1281-Y1283 HydrophobicContact CG1-CD1 4.2Å; V1281-Y1283 HydrophobicContact CG1-CD2 3.59Å; V1281-Y1283 HydrophobicContact CG1-CE1 4.23Å; V1281-Y1283 HydrophobicContact CG1-CE2 3.6Å; V1281-Y1283 HydrophobicContact CG1-CG 4.04Å; V1281-Y1283 PolarHBondContact O-N 3.15Å; V1281-E1352 VanDerWaalsContact CG1-OE1 3.31Å; V1281-E1352 WeakPolarHBondContact CG1-OE1 3.31Å; V1281-E1352 WeakPolarHBondContact CG2-OE1 3.2Å; V1281-P1355 HydrophobicContact CG2-CB 3.57Å; V1281-L1357 CarbonylContact C-O 3.51Å; V1281-L1357 WeakPolarHBondContact CA-O 3.31Å; V1281-L1357 HydrophobicContact CG1-CB 4.14Å; V1281-L1357 WeakPolarHBondContact CG1-O 3.4Å; V1281-L1357 WeakPolarHBondContact O-CD2 3.28Å; V1281-K1360 PolarHBondContact O-NZ 2.96Å
1282	L	35	Very low	40.8	Very low	113 Å²	113	88 Å²	88	59%	0.592	46%	0.462	S	S	*	.			trans	-91.3	92.3	171.4	-115.2	107.5	0	0	0	112.7	L1205 V1206 G1207 S1280 L1357 V1358 G1359 K1360	L1205-L1282 PolarHBondContact O-N 2.92Å; V1206-L1282 HydrophobicContact CB-CB 4.39Å; V1206-L1282 HydrophobicContact CG1-CB 4.23Å; V1206-L1282 HydrophobicContact CG1-CD2 3.99Å; V1206-L1282 HydrophobicContact CG2-CB 4.19Å; G1207-L1282 PolarHBondContact N-O 2.69Å; S1280-L1282 PolarHBondContact O-N 2.78Å; L1282-L1357 PolarHBondContact N-O 2.61Å; L1282-V1358 HydrophobicContact CB-CB 4.1Å; L1282-V1358 HydrophobicContact CB-CG1 3.83Å; L1282-V1358 HydrophobicContact CB-CG2 4.34Å; L1282-V1358 HydrophobicContact CD2-CG1 4.11Å; L1282-V1358 CarbonylContact O-C 3.58Å; L1282-G1359 PolarHBondContact O-N 2.93Å; L1282-K1360 PolarHBondContact O-N 3.36Å
1283	Y	41.6	Very low	40.5	Very low	92.6 Å²	92.6	87.7 Å²	87.7	36%	0.363	46%	0.462	S	S	.	.			trans	-105	144.5	134.6	-83.9	-56.9	0	0	0	112.7	H1198 L1205 K1208 L1210 L1274 L1278 V1281 V1286 H1350 E1352 L1357 K1360	H1198-Y1283 PolarHBondContact CD2-OH 2.85Å; H1198-Y1283 PolarHBondContact NE2-OH 3.05Å; L1205-Y1283 HydrophobicContact CD1-CE1 4.37Å; L1205-Y1283 HydrophobicContact CD2-CD2 3.54Å; L1205-Y1283 HydrophobicContact CD2-CE2 4.15Å; L1205-Y1283 HydrophobicContact CD2-CG 4.4Å; K1208-Y1283 HydrophobicContact CB-CD1 3.87Å; K1208-Y1283 HydrophobicContact CB-CE1 4.04Å; K1208-Y1283 WeakPolarHBondContact CD-O 3.24Å; K1208-Y1283 WeakPolarHBondContact CE-O 3.35Å; K1208-Y1283 PolarHBondContact NZ-O 3.07Å; K1208-Y1283 WeakPolarHBondContact O-CA 3.32Å; L1210-Y1283 HydrophobicContact CD1-CD1 4.18Å; L1210-Y1283 HydrophobicContact CD1-CE1 3.68Å; L1210-Y1283 HydrophobicContact CD2-CE1 4.38Å; L1210-Y1283 HydrophobicContact CG-CD1 4.18Å; L1210-Y1283 HydrophobicContact CG-CE1 3.96Å; L1274-Y1283 HydrophobicContact CD2-CE2 4.35Å; L1278-Y1283 HydrophobicContact CD1-CE2 4.49Å; V1281-Y1283 VanDerWaalsContact C-N 3.31Å; V1281-Y1283 HydrophobicContact CB-CD2 3.61Å; V1281-Y1283 HydrophobicContact CB-CE2 3.75Å; V1281-Y1283 HydrophobicContact CG1-CD1 4.2Å; V1281-Y1283 HydrophobicContact CG1-CD2 3.59Å; V1281-Y1283 HydrophobicContact CG1-CE1 4.23Å; V1281-Y1283 HydrophobicContact CG1-CE2 3.6Å; V1281-Y1283 HydrophobicContact CG1-CG 4.04Å; V1281-Y1283 PolarHBondContact O-N 3.15Å; Y1283-V1286 HydrophobicContact CD2-CG2 4.49Å; Y1283-V1286 HydrophobicContact CG-CG2 4.33Å; Y1283-H1350 AromaticContact CD1-NE2 3.56Å; Y1283-H1350 AromaticContact CD2-NE2 3.82Å; Y1283-H1350 AromaticContact CE1-CE1 3.64Å; Y1283-H1350 AromaticContact CE1-NE2 3.16Å; Y1283-H1350 WeakPolarHBondContact CE1-NE2 3.3Å; Y1283-H1350 AromaticContact CE2-CD2 3.89Å; Y1283-H1350 AromaticContact CE2-NE2 3.47Å; Y1283-H1350 WeakPolarHBondContact CE2-NE2 3.23Å; Y1283-H1350 AromaticContact CG-NE2 3.85Å; Y1283-H1350 AromaticContact CZ-CD2 3.93Å; Y1283-H1350 AromaticContact CZ-CE1 3.55Å; Y1283-H1350 AromaticContact CZ-NE2 3.08Å; Y1283-H1350 PolarHBondContact OH-CE1 3.26Å; Y1283-H1350 PolarHBondContact OH-NE2 2.64Å; Y1283-E1352 HydrophobicContact CE2-CB 4.24Å; Y1283-E1352 HydrophobicContact CE2-CG 4.44Å; Y1283-E1352 VanDerWaalsContact CE2-OE2 3.32Å; Y1283-E1352 WeakPolarHBondContact CE2-OE2 3.17Å; Y1283-E1352 WeakPolarHBondContact OH-CB 2.85Å; Y1283-E1352 VanDerWaalsContact OH-CD 3.31Å; Y1283-E1352 WeakPolarHBondContact OH-CG 2.96Å; Y1283-E1352 PolarHBondContact OH-OE2 2.63Å; Y1283-L1357 HydrophobicContact CE1-CB 4.05Å; Y1283-L1357 HydrophobicContact CE1-CD1 3.39Å; Y1283-L1357 HydrophobicContact CE1-CD2 3.94Å; Y1283-L1357 HydrophobicContact CE1-CG 4.42Å; Y1283-L1357 HydrophobicContact CE2-CB 4.12Å; Y1283-L1357 VanDerWaalsContact OH-CB 3.27Å; Y1283-L1357 WeakPolarHBondContact OH-CB 3.36Å; Y1283-L1357 VanDerWaalsContact OH-CD1 3.24Å; Y1283-L1357 WeakPolarHBondContact OH-CD1 3.48Å; Y1283-L1357 WeakPolarHBondContact OH-CD2 3.33Å; Y1283-L1357 WeakPolarHBondContact OH-CG 3.3Å; Y1283-K1360 HydrophobicContact CD1-CB 3.96Å; Y1283-K1360 HydrophobicContact CE1-CB 4.07Å; Y1283-K1360 HydrophobicContact CE1-CD 4.4Å; Y1283-K1360 HydrophobicContact CE1-CG 4.48Å; Y1283-K1360 WeakPolarHBondContact O-CD 3.47Å; Y1283-K1360 WeakPolarHBondContact O-CE 3.31Å; Y1283-K1360 WeakPolarHBondContact O-CG 3.36Å; Y1283-K1360 PolarHBondContact O-NZ 2.77Å
1284	E	39.5	Very low	40.4	Very low	114 Å²	114	86.5 Å²	86.5	53%	0.533	46%	0.457	S	S	.	.			trans	-95.9	-123.6	-174.3	-85.4	-158.6	115.9	0	0	114	K1208 K1209 K1360 K1361	K1208-E1284 WeakPolarHBondContact CB-O 3.47Å; K1208-E1284 WeakPolarHBondContact CD-O 3.35Å; K1208-E1284 IonicContact NZ-OE1 3.62Å; K1208-E1284 PolarHBondContact NZ-OE1 2.89Å; K1208-E1284 PolarHBondContact O-N 3.41Å; K1209-E1284 VanDerWaalsContact CE-OE2 3.23Å; K1209-E1284 WeakPolarHBondContact CE-OE2 3.18Å; K1209-E1284 IonicContact NZ-OE1 2.65Å; K1209-E1284 PolarHBondContact NZ-OE1 2.84Å; K1209-E1284 IonicContact NZ-OE2 3Å; K1209-E1284 PolarHBondContact NZ-OE2 2.81Å; E1284-K1360 PolarHBondContact N-O 3.47Å; E1284-K1361 WeakPolarHBondContact OE2-CE 2.8Å; E1284-K1361 IonicContact OE2-NZ 2.72Å; E1284-K1361 PolarHBondContact OE2-NZ 2.81Å
1285	N	46.8	Very low	40	Very low	94.2 Å²	94.2	86.4 Å²	86.4	50%	0.504	46%	0.455	S	S	.	.			trans	-139.3	143.3	174.3	-70.3	-96.3	0	0	0	111.8	K1209 L1210 K1361 L1362	K1209-N1285 WeakPolarHBondContact CA-O 3.44Å; K1209-N1285 HydrophobicContact CB-CB 4.29Å; K1209-N1285 HydrophobicContact CD-CB 4.15Å; K1209-N1285 WeakPolarHBondContact CD-OD1 3.14Å; K1209-N1285 WeakPolarHBondContact CE-ND2 3.24Å; K1209-N1285 WeakPolarHBondContact CE-OD1 3.45Å; K1209-N1285 HydrophobicContact CG-CB 4.15Å; K1209-N1285 PolarHBondContact NZ-OD1 2.77Å; L1210-N1285 PolarHBondContact N-O 3.41Å; L1210-N1285 VanDerWaalsContact N-O 3.09Å; N1285-K1361 WeakPolarHBondContact CA-O 3.31Å; N1285-K1361 HydrophobicContact CB-CB 4.38Å; N1285-K1361 HydrophobicContact CB-CD 3.84Å; N1285-K1361 HydrophobicContact CB-CG 4.17Å; N1285-K1361 WeakPolarHBondContact O-CA 2.25Å; N1285-K1361 WeakPolarHBondContact OD1-CB 3.26Å; N1285-L1362 PolarHBondContact O-N 3.4Å
1286	V	45.7	Very low	39.9	Very low	56.6 Å²	56.6	86 Å²	86	34%	0.343	45%	0.45	S	S	.	.			trans	-125.7	135.9	171.3	-176.3	0	0	0	0	109.1	K1209 L1210 V1272 L1274 Y1283 H1326 L1348 H1350 K1361 L1362 Q1363 H1402	K1209-V1286 PolarHBondContact O-N 2.84Å; L1210-V1286 HydrophobicContact CB-CG1 4.2Å; L1210-V1286 HydrophobicContact CB-CG2 4.44Å; L1210-V1286 HydrophobicContact CD1-CG2 4.42Å; V1272-V1286 HydrophobicContact CB-CG1 4.34Å; V1272-V1286 HydrophobicContact CG1-CG1 3.78Å; L1274-V1286 HydrophobicContact CD1-CB 3.44Å; L1274-V1286 VanDerWaalsContact CD1-CB 3.44Å; L1274-V1286 HydrophobicContact CD1-CG1 4.06Å; L1274-V1286 HydrophobicContact CD1-CG2 3.92Å; L1274-V1286 HydrophobicContact CD2-CB 3.7Å; L1274-V1286 HydrophobicContact CD2-CG1 3.72Å; L1274-V1286 HydrophobicContact CD2-CG2 3.68Å; L1274-V1286 HydrophobicContact CG-CB 3.91Å; L1274-V1286 HydrophobicContact CG-CG1 4.1Å; L1274-V1286 HydrophobicContact CG-CG2 4.34Å; Y1283-V1286 HydrophobicContact CD2-CG2 4.49Å; Y1283-V1286 HydrophobicContact CG-CG2 4.33Å; V1286-H1326 WeakPolarHBondContact CG1-NE2 3.36Å; V1286-L1348 HydrophobicContact CB-CD1 4.25Å; V1286-L1348 HydrophobicContact CB-CD2 4.46Å; V1286-L1348 HydrophobicContact CG1-CD1 3.84Å; V1286-L1348 HydrophobicContact CG1-CD2 3.88Å; V1286-L1348 HydrophobicContact CG1-CG 3.88Å; V1286-H1350 HydrophobicContact CG1-CB 4.4Å; V1286-H1350 HydrophobicContact CG2-CB 4.35Å; V1286-K1361 PolarHBondContact N-O 2.81Å; V1286-K1361 VanDerWaalsContact N-O 3.1Å; V1286-L1362 WeakPolarHBondContact CA-O 3.07Å; V1286-L1362 HydrophobicContact CB-CB 4.25Å; V1286-L1362 HydrophobicContact CB-CD2 3.63Å; V1286-L1362 HydrophobicContact CG1-CB 3.72Å; V1286-L1362 HydrophobicContact CG1-CD1 4.15Å; V1286-L1362 HydrophobicContact CG1-CG 4.13Å; V1286-L1362 HydrophobicContact CG2-CB 3.98Å; V1286-L1362 HydrophobicContact CG2-CD1 4.46Å; V1286-L1362 HydrophobicContact CG2-CD2 3.64Å; V1286-L1362 HydrophobicContact CG2-CG 3.86Å; V1286-Q1363 PolarHBondContact O-N 3.01Å; V1286-H1402 HydrophobicContact CG1-CB 3.49Å; V1286-H1402 VanDerWaalsContact CG1-CB 3.49Å
1287	Q	44.8	Very low	39.6	Very low	107.2 Å²	107.2	87.4 Å²	87.4	50%	0.501	45%	0.45	S	S	.	.			trans	-146.6	129.9	176.7	-155.4	-176.5	9.7	0	0	110.6	D1197 L1210 Q1211 A1212 T1289 Q1363 T1400	D1197-Q1287 PolarHBondContact OD1-NE2 3.09Å; D1197-Q1287 VanDerWaalsContact OD1-NE2 3.15Å; L1210-Q1287 PolarHBondContact O-N 3.09Å; L1210-Q1287 VanDerWaalsContact O-N 3.13Å; Q1211-Q1287 VanDerWaalsContact CA-O 3.32Å; Q1211-Q1287 WeakPolarHBondContact CA-O 3.16Å; A1212-Q1287 PolarHBondContact N-O 2.61Å; Q1287-T1289 WeakPolarHBondContact CG-OG1 3.31Å; Q1287-T1289 PolarHBondContact NE2-OG1 2.9Å; Q1287-Q1363 VanDerWaalsContact CA-O 3.31Å; Q1287-Q1363 WeakPolarHBondContact CA-O 3.48Å; Q1287-Q1363 HydrophobicContact CB-CG 4.23Å; Q1287-Q1363 VanDerWaalsContact O-CA 3.28Å; Q1287-Q1363 WeakPolarHBondContact O-CA 2.25Å; Q1287-Q1363 WeakPolarHBondContact O-CG 3.38Å; Q1287-T1400 HydrophobicContact CG-CG2 4.31Å
1288	A	41.4	Very low	39.6	Very low	41 Å²	41	81 Å²	81	34%	0.339	43%	0.429	S	S	.	.			trans	-122.5	150.5	167.9	0	0	0	0	0	110.6	V1272 G1323 T1324 V1325 G1347 Q1363 A1364 T1365 T1400	V1272-A1288 VanDerWaalsContact CG2-CA 3.4Å; V1272-A1288 HydrophobicContact CG2-CB 4.21Å; A1288-G1323 VanDerWaalsContact O-O 3.13Å; A1288-T1324 HydrophobicContact CB-CG2 4.27Å; A1288-T1324 VanDerWaalsContact O-CA 3.32Å; A1288-T1324 WeakPolarHBondContact O-CA 3.05Å; A1288-V1325 HydrophobicContact CB-CB 4.17Å; A1288-V1325 WeakPolarHBondContact CB-O 3.01Å; A1288-G1347 VanDerWaalsContact CB-O 3.27Å; A1288-G1347 WeakPolarHBondContact CB-O 3.34Å; A1288-Q1363 PolarHBondContact N-O 2.79Å; A1288-A1364 PolarHBondContact N-O 2.72Å; A1288-T1365 PolarHBondContact O-N 3.05Å; A1288-T1400 VanDerWaalsContact CA-CG2 3.49Å; A1288-T1400 WeakPolarHBondContact CA-O 3.48Å; A1288-T1400 WeakPolarHBondContact O-CG2 3.28Å
1289	T	42.9	Very low	39.3	Very low	49.8 Å²	49.8	80.2 Å²	80.2	31%	0.306	43%	0.427	S	S	.	.			trans	-140.2	118.5	177.2	-64.9	0	0	0	0	111	A1212 T1213 M1214 G1271 V1272 Q1287 R1291 G1323 T1324 V1346 L1348 T1365 G1399 T1400	A1212-T1289 PolarHBondContact O-N 2.99Å; T1213-T1289 CarbonylContact C-O 3.33Å; T1213-T1289 VanDerWaalsContact CA-O 3.25Å; T1213-T1289 WeakPolarHBondContact CA-O 3.48Å; M1214-T1289 PolarHBondContact N-O 3.4Å; G1271-T1289 WeakPolarHBondContact O-CB 3.11Å; G1271-T1289 WeakPolarHBondContact O-CG2 3.04Å; G1271-T1289 PolarHBondContact O-OG1 2.85Å; V1272-T1289 VanDerWaalsContact CG2-N 3.28Å; V1272-T1289 VanDerWaalsContact CG2-OG1 3.27Å; V1272-T1289 WeakPolarHBondContact CG2-OG1 3.36Å; V1272-T1289 PolarHBondContact N-OG1 3.06Å; Q1287-T1289 WeakPolarHBondContact CG-OG1 3.31Å; Q1287-T1289 PolarHBondContact NE2-OG1 2.9Å; T1289-R1291 HydrophobicContact CG2-CG 4.35Å; T1289-G1323 PolarHBondContact OG1-N 2.73Å; T1289-G1323 PolarHBondContact OG1-O 2.87Å; T1289-T1324 CarbonylContact C-O 2.96Å; T1289-T1324 WeakPolarHBondContact CA-O 3.1Å; T1289-V1346 VanDerWaalsContact CG2-C 3.41Å; T1289-V1346 HydrophobicContact CG2-CB 3.54Å; T1289-V1346 HydrophobicContact CG2-CG1 3.89Å; T1289-V1346 WeakPolarHBondContact CG2-O 3.28Å; T1289-L1348 WeakPolarHBondContact OG1-CB 3.27Å; T1289-T1365 CarbonylContact C-O 3.48Å; T1289-T1365 VanDerWaalsContact CA-O 3.23Å; T1289-T1365 WeakPolarHBondContact CA-O 3.37Å; T1289-T1365 PolarHBondContact O-OG1 3.22Å; T1289-G1399 CarbonylContact O-C 3.11Å; T1289-G1399 VanDerWaalsContact O-CA 3.29Å; T1289-G1399 WeakPolarHBondContact O-CA 3.26Å; T1289-T1400 PolarHBondContact O-N 3.06Å
1290	M	42.3	Very low	39.3	Very low	80.8 Å²	80.8	76 Å²	76	40%	0.398	41%	0.408	S	S	.	.			trans	-109.5	135.6	172.2	-138	-170.5	-157.7	0	0	110.4	M1214 Q1256 I1258 T1267 V1270 Q1292 V1325 Q1332 T1343 V1346 T1365 R1367	M1214-M1290 HydrophobicContact CE-CE 3.83Å; M1214-M1290 HydrophobicContact CE-CG 4.41Å; M1214-M1290 HydrophobicContact CE-SD 4.37Å; M1214-M1290 HydrophobicContact SD-CB 4.07Å; M1214-M1290 HydrophobicContact SD-CG 3.42Å; M1214-M1290 WeakPolarHBondContact SD-CG 3.45Å; Q1256-M1290 VanDerWaalsContact CD-SD 3.58Å; Q1256-M1290 HydrophobicContact CG-CE 3.75Å; Q1256-M1290 HydrophobicContact CG-SD 3.61Å; Q1256-M1290 PolarHBondContact NE2-SD 3.09Å; Q1256-M1290 VanDerWaalsContact NE2-SD 3.4Å; I1258-M1290 HydrophobicContact CD1-CE 3.36Å; I1258-M1290 HydrophobicContact CD1-CG 4.4Å; T1267-M1290 HydrophobicContact CG2-CE 4.06Å; T1267-M1290 HydrophobicContact CG2-SD 4.02Å; V1270-M1290 HydrophobicContact CG2-CB 4.37Å; V1270-M1290 HydrophobicContact CG2-SD 4.2Å; M1290-Q1292 HydrophobicContact CE-CB 4.38Å; M1290-V1325 HydrophobicContact CB-CG2 3.54Å; M1290-Q1332 WeakPolarHBondContact CE-O 3.26Å; M1290-Q1332 HydrophobicContact SD-CG 4.28Å; M1290-Q1332 PolarHBondContact SD-NE2 2.75Å; M1290-T1343 HydrophobicContact CE-CG2 4.15Å; M1290-T1343 WeakPolarHBondContact CE-OG1 3.44Å; M1290-T1343 HydrophobicContact SD-CG2 3.7Å; M1290-V1346 HydrophobicContact CB-CG1 4.45Å; M1290-V1346 HydrophobicContact CB-CG2 4.11Å; M1290-V1346 HydrophobicContact SD-CG2 3.9Å; M1290-T1365 PolarHBondContact N-O 2.99Å; M1290-R1367 HydrophobicContact CE-CG 4.34Å; M1290-R1367 PolarHBondContact O-N 3.17Å; M1290-R1367 VanDerWaalsContact O-N 3.13Å
1291	R	42.9	Very low	39.2	Very low	117.8 Å²	117.8	75.2 Å²	75.2	45%	0.445	40%	0.399	S	S	.	.			trans	-136.7	138.5	166.5	-70.7	-165.8	166.7	-150.8	-5.3	111.7	M1214 R1215 Q1216 Q1245 I1258 S1269 V1270 T1289 Q1321 V1344 N1345 V1346 R1367	M1214-R1291 PolarHBondContact O-N 3.37Å; R1215-R1291 WeakPolarHBondContact CA-O 3.36Å; R1215-R1291 HydrophobicContact CG-CB 4.38Å; Q1216-R1291 PolarHBondContact N-O 3.03Å; Q1245-R1291 VanDerWaalsContact CB-NH1 3.33Å; Q1245-R1291 WeakPolarHBondContact O-CD 3.36Å; Q1245-R1291 VanDerWaalsContact OE1-CZ 3.23Å; I1258-R1291 WeakPolarHBondContact CG1-O 3.5Å; S1269-R1291 WeakPolarHBondContact CB-O 3.46Å; S1269-R1291 VanDerWaalsContact O-CG 3.31Å; S1269-R1291 WeakPolarHBondContact O-CG 3.35Å; S1269-R1291 WeakPolarHBondContact OG-CA 2.98Å; S1269-R1291 WeakPolarHBondContact OG-CB 3.29Å; S1269-R1291 WeakPolarHBondContact OG-CG 3.29Å; S1269-R1291 PolarHBondContact OG-N 3.18Å; S1269-R1291 PolarHBondContact OG-O 3.45Å; V1270-R1291 PolarHBondContact O-NE 2.89Å; V1270-R1291 PolarHBondContact O-NH2 2.96Å; T1289-R1291 HydrophobicContact CG2-CG 4.35Å; R1291-Q1321 HydrophobicContact CB-CB 3.69Å; R1291-Q1321 HydrophobicContact CB-CG 4.26Å; R1291-Q1321 HydrophobicContact CG-CB 3.87Å; R1291-Q1321 VanDerWaalsContact NH1-CD 3.29Å; R1291-V1344 HydrophobicContact CB-CB 3.53Å; R1291-V1344 HydrophobicContact CB-CG1 3.53Å; R1291-V1344 HydrophobicContact CB-CG2 4.48Å; R1291-V1344 VanDerWaalsContact CD-C 3.41Å; R1291-V1344 WeakPolarHBondContact CD-O 3.48Å; R1291-V1344 PolarHBondContact NH1-O 3.36Å; R1291-N1345 PolarHBondContact NH1-OD1 2.78Å; R1291-N1345 PolarHBondContact NH2-OD1 3.4Å; R1291-V1346 HydrophobicContact CB-CB 4.5Å; R1291-V1346 HydrophobicContact CB-CG2 3.53Å; R1291-V1346 HydrophobicContact CG-CB 3.81Å; R1291-V1346 HydrophobicContact CG-CG2 3.34Å; R1291-R1367 CarbonylContact C-O 3.58Å; R1291-R1367 WeakPolarHBondContact CA-O 3.27Å; R1291-R1367 HydrophobicContact CG-CB 4.4Å; R1291-R1367 WeakPolarHBondContact O-CG 3.34Å; R1291-R1367 PolarHBondContact O-NE 3.14Å
1292	Q	42.1	Very low	39.1	Very low	86.6 Å²	86.6	76.1 Å²	76.1	41%	0.405	40%	0.402	S	S	.	.			trans	-153.2	132.1	174.7	-158.6	157.3	3.2	0	0	112.2	R1215 Q1216 Q1245 T1257 I1258 F1265 M1290 V1294 F1341 V1344 R1367 Q1368 S1369	R1215-Q1292 VanDerWaalsContact C-OE1 3.32Å; R1215-Q1292 PolarHBondContact O-NE2 3.15Å; R1215-Q1292 PolarHBondContact O-OE1 3.49Å; Q1216-Q1292 HydrophobicContact CB-CB 3.92Å; Q1216-Q1292 HydrophobicContact CB-CG 4.45Å; Q1216-Q1292 HydrophobicContact CG-CB 3.8Å; Q1216-Q1292 VanDerWaalsContact O-CA 3.31Å; Q1216-Q1292 WeakPolarHBondContact O-CA 3.45Å; Q1245-Q1292 PolarHBondContact OE1-O 3.35Å; T1257-Q1292 WeakPolarHBondContact O-CG 3.24Å; T1257-Q1292 PolarHBondContact O-NE2 3.41Å; I1258-Q1292 HydrophobicContact CB-CB 4.29Å; I1258-Q1292 HydrophobicContact CB-CG 3.9Å; I1258-Q1292 HydrophobicContact CD1-CG 3.78Å; I1258-Q1292 HydrophobicContact CG1-CB 4.05Å; I1258-Q1292 HydrophobicContact CG1-CG 3.44Å; I1258-Q1292 VanDerWaalsContact CG1-CG 3.44Å; I1258-Q1292 HydrophobicContact CG2-CB 3.84Å; I1258-Q1292 HydrophobicContact CG2-CG 4.04Å; F1265-Q1292 VanDerWaalsContact CB-NE2 3.34Å; M1290-Q1292 HydrophobicContact CE-CB 4.38Å; Q1292-V1294 HydrophobicContact CG-CG2 3.9Å; Q1292-V1294 VanDerWaalsContact NE2-CG2 3.34Å; Q1292-F1341 VanDerWaalsContact CD-CD1 3.43Å; Q1292-F1341 HydrophobicContact CG-CD1 4.13Å; Q1292-F1341 HydrophobicContact CG-CE1 4.02Å; Q1292-V1344 VanDerWaalsContact C-CG2 3.48Å; Q1292-V1344 VanDerWaalsContact N-CG1 3.29Å; Q1292-R1367 PolarHBondContact N-O 3.45Å; Q1292-Q1368 HydrophobicContact CB-CG 4.21Å; Q1292-Q1368 CarbonylContact O-C 3.46Å; Q1292-Q1368 WeakPolarHBondContact O-CA 3.49Å; Q1292-Q1368 WeakPolarHBondContact O-CB 2.26Å; Q1292-Q1368 WeakPolarHBondContact O-CG 2.26Å; Q1292-S1369 PolarHBondContact O-N 2.99Å
1293	S	39.1	Very low	39	Very low	44.6 Å²	44.6	73.9 Å²	73.9	31%	0.312	40%	0.395	S	S	.	.			trans	-123.3	141.6	170.1	48	0	0	0	0	111.1	Q1216 S1217 V1218 T1267 E1295 Q1321 H1342 V1344 S1369 F1392 F2124 S2125	Q1216-S1293 PolarHBondContact O-N 2.72Å; Q1216-S1293 VanDerWaalsContact O-N 3.14Å; S1217-S1293 VanDerWaalsContact CA-O 3.31Å; S1217-S1293 WeakPolarHBondContact CA-O 3.48Å; S1217-S1293 CarbonylContact O-C 3.28Å; V1218-S1293 PolarHBondContact N-O 2.98Å; V1218-S1293 VanDerWaalsContact N-O 3.13Å; T1267-S1293 WeakPolarHBondContact CB-OG 3.26Å; T1267-S1293 WeakPolarHBondContact CG2-O 3.12Å; T1267-S1293 WeakPolarHBondContact CG2-OG 2.93Å; T1267-S1293 PolarHBondContact OG1-O 3.09Å; T1267-S1293 PolarHBondContact OG1-OG 2.74Å; S1293-E1295 PolarHBondContact OG-OE2 2.74Å; S1293-Q1321 PolarHBondContact OG-NE2 3.24Å; S1293-H1342 WeakPolarHBondContact OG-CB 3.21Å; S1293-V1344 WeakPolarHBondContact OG-CG2 3.16Å; S1293-S1369 WeakPolarHBondContact CA-O 3.35Å; S1293-F1392 WeakPolarHBondContact OG-CZ 3.44Å; S1293-F2124 WeakPolarHBondContact CB-O 3.07Å; S1293-S2125 VanDerWaalsContact CA-O 3.3Å; S1293-S2125 WeakPolarHBondContact CA-O 3.32Å; S1293-S2125 WeakPolarHBondContact CB-O 3.02Å
1294	V	40.9	Very low	38.6	Very low	56.2 Å²	56.2	76 Å²	76	34%	0.341	41%	0.409	S	S	.	.			trans	-124.8	139.1	171.3	-174	0	0	0	0	109.1	S1217 V1218 P1259 F1265 Q1292 N1296 F1341 S1369 V1370 E1371 S2125 T2126	S1217-V1294 PolarHBondContact O-N 2.93Å; V1218-V1294 WeakPolarHBondContact CA-O 3.35Å; V1218-V1294 HydrophobicContact CB-CG2 4.43Å; V1218-V1294 HydrophobicContact CG2-CB 4.31Å; V1218-V1294 HydrophobicContact CG2-CG1 4.03Å; V1218-V1294 HydrophobicContact CG2-CG2 4.17Å; V1218-V1294 WeakPolarHBondContact O-CA 3.42Å; P1259-V1294 HydrophobicContact CB-CG2 4.47Å; P1259-V1294 HydrophobicContact CG-CG2 3.52Å; F1265-V1294 HydrophobicContact CE2-CG2 3.69Å; F1265-V1294 HydrophobicContact CZ-CG2 3.64Å; Q1292-V1294 HydrophobicContact CG-CG2 3.9Å; Q1292-V1294 VanDerWaalsContact NE2-CG2 3.34Å; V1294-N1296 WeakPolarHBondContact CG1-OD1 3.33Å; V1294-F1341 HydrophobicContact CB-CZ 4.35Å; V1294-F1341 HydrophobicContact CG2-CE1 3.76Å; V1294-F1341 HydrophobicContact CG2-CZ 3.61Å; V1294-S1369 PolarHBondContact N-O 2.9Å; V1294-S1369 VanDerWaalsContact N-O 3.14Å; V1294-V1370 HydrophobicContact CB-CG2 4.5Å; V1294-V1370 WeakPolarHBondContact O-CA 3.32Å; V1294-V1370 WeakPolarHBondContact O-CB 3.35Å; V1294-V1370 VanDerWaalsContact O-CG1 3.3Å; V1294-V1370 WeakPolarHBondContact O-CG1 2.78Å; V1294-E1371 WeakPolarHBondContact CA-OE2 2.95Å; V1294-E1371 HydrophobicContact CG1-CG 4.4Å; V1294-E1371 PolarHBondContact O-N 2.94Å; V1294-S2125 PolarHBondContact N-O 3.45Å; V1294-S2125 PolarHBondContact O-OG 3.33Å; V1294-T2126 PolarHBondContact N-O 3.21Å; V1294-T2126 PolarHBondContact O-OG1 3.37Å
1295	E	36.6	Very low	38.4	Very low	72.6 Å²	72.6	73.8 Å²	73.8	34%	0.339	41%	0.411	S	S	.	.			trans	-115.2	131.5	-179.3	-105.8	175.4	120.8	0	0	110.8	F1189 V1218 E1219 N1220 T1238 T1239 F1240 T1267 S1293 T1299 T1314 F1316 V1340 H1342 V1370 E1371 N1372	F1189-E1295 WeakPolarHBondContact CD1-O 3.46Å; F1189-E1295 WeakPolarHBondContact CE1-O 3.42Å; V1218-E1295 VanDerWaalsContact CG2-N 3.29Å; V1218-E1295 PolarHBondContact O-N 3.04Å; E1219-E1295 WeakPolarHBondContact CA-O 3.42Å; E1219-E1295 HydrophobicContact CB-CG 4.45Å; E1219-E1295 CarbonylContact O-C 3.6Å; E1219-E1295 WeakPolarHBondContact O-CA 3.27Å; N1220-E1295 PolarHBondContact N-O 3Å; N1220-E1295 VanDerWaalsContact ND2-CD 3.32Å; N1220-E1295 PolarHBondContact ND2-OE1 3.06Å; N1220-E1295 PolarHBondContact ND2-OE2 2.83Å; T1238-E1295 VanDerWaalsContact C-OE1 3.31Å; T1238-E1295 VanDerWaalsContact C-OE2 3.29Å; T1238-E1295 VanDerWaalsContact CB-CD 3.43Å; T1238-E1295 VanDerWaalsContact CB-OE1 3.3Å; T1238-E1295 WeakPolarHBondContact CB-OE1 3.46Å; T1238-E1295 HydrophobicContact CG2-CG 3.71Å; T1238-E1295 WeakPolarHBondContact CG2-OE2 3.32Å; T1239-E1295 PolarHBondContact N-OE2 3.41Å; F1240-E1295 HydrophobicContact CD2-CB 4.27Å; F1240-E1295 HydrophobicContact CD2-CG 4.37Å; F1240-E1295 WeakPolarHBondContact CD2-OE2 3.38Å; F1240-E1295 HydrophobicContact CE2-CB 3.78Å; F1240-E1295 HydrophobicContact CE2-CG 3.77Å; F1240-E1295 VanDerWaalsContact CE2-OE2 3.25Å; F1240-E1295 WeakPolarHBondContact CE2-OE2 3.36Å; T1267-E1295 PolarHBondContact OG1-OE2 3.35Å; S1293-E1295 PolarHBondContact OG-OE2 2.74Å; E1295-T1299 HydrophobicContact CB-CG2 3.76Å; E1295-T1299 VanDerWaalsContact CD-CG2 3.49Å; E1295-T1299 HydrophobicContact CG-CG2 4.23Å; E1295-T1299 WeakPolarHBondContact OE2-CG2 3.31Å; E1295-T1314 HydrophobicContact CB-CG2 3.65Å; E1295-T1314 HydrophobicContact CG-CG2 3.97Å; E1295-T1314 VanDerWaalsContact OE1-CB 3.24Å; E1295-T1314 WeakPolarHBondContact OE1-CB 3.4Å; E1295-T1314 VanDerWaalsContact OE1-CG2 3.24Å; E1295-T1314 WeakPolarHBondContact OE1-CG2 3.37Å; E1295-T1314 PolarHBondContact OE1-OG1 3.27Å; E1295-F1316 HydrophobicContact CB-CE2 3.96Å; E1295-V1340 WeakPolarHBondContact OE1-CG1 2.9Å; E1295-H1342 HydrophobicContact CG-CB 4.31Å; E1295-H1342 VanDerWaalsContact OE1-CB 3.29Å; E1295-H1342 WeakPolarHBondContact OE1-CB 3.13Å; E1295-H1342 IonicContact OE1-CE1 3.18Å; E1295-H1342 IonicContact OE1-CG 4Å; E1295-H1342 VanDerWaalsContact OE1-CG 3.31Å; E1295-H1342 PolarHBondContact OE1-N 2.89Å; E1295-H1342 VanDerWaalsContact OE1-N 3.16Å; E1295-H1342 IonicContact OE1-ND1 2.76Å; E1295-H1342 PolarHBondContact OE1-ND1 3.45Å; E1295-H1342 VanDerWaalsContact OE2-CB 3.3Å; E1295-H1342 WeakPolarHBondContact OE2-CB 3.26Å; E1295-H1342 IonicContact OE2-CG 3.87Å; E1295-V1370 HydrophobicContact CG-CG1 4.1Å; E1295-E1371 WeakPolarHBondContact CA-O 3.31Å; E1295-E1371 PolarHBondContact N-OE2 3.13Å; E1295-N1372 PolarHBondContact O-ND2 2.77Å
1296	N	35.8	Very low	37.6	Very low	74.6 Å²	74.6	75.3 Å²	75.3	40%	0.399	41%	0.414	S	S	.	.			trans	-125.7	139.6	156.8	-111.9	-27.5	0	0	0	110	E1219 N1220 V1294 S1298 E1337 E1371 N1372 T1373	E1219-N1296 PolarHBondContact O-N 2.85Å; N1220-N1296 WeakPolarHBondContact CA-O 3.32Å; N1220-N1296 HydrophobicContact CB-CB 4.42Å; N1220-N1296 PolarHBondContact ND2-OD1 2.94Å; N1220-N1296 PolarHBondContact OD1-O 2.78Å; N1220-N1296 PolarHBondContact OD1-OD1 3.43Å; V1294-N1296 WeakPolarHBondContact CG1-OD1 3.33Å; N1296-S1298 PolarHBondContact O-N 3.36Å; N1296-E1337 PolarHBondContact ND2-OE2 3.36Å; N1296-E1371 PolarHBondContact N-O 2.86Å; N1296-E1371 PolarHBondContact ND2-OE1 3.48Å; N1296-E1371 PolarHBondContact ND2-OE2 3.29Å; N1296-N1372 PolarHBondContact ND2-O 3.28Å; N1296-N1372 WeakPolarHBondContact O-CB 3.37Å; N1296-N1372 PolarHBondContact O-ND2 2.94Å; N1296-T1373 PolarHBondContact ND2-OG1 3.16Å; N1296-T1373 VanDerWaalsContact ND2-OG1 3.16Å; N1296-T1373 PolarHBondContact O-N 2.86Å
1297	T	35.2	Very low	37	Very low	69.2 Å²	69.2	75.9 Å²	75.9	43%	0.425	42%	0.418	S	S	.	.			trans	-113.4	115.7	-177.1	-49.1	0	0	0	0	111.3	N1220 T1221 S1222 L1235 L1311 P1312 T1373	N1220-T1297 PolarHBondContact O-N 3.14Å; T1221-T1297 WeakPolarHBondContact CA-O 3.48Å; S1222-T1297 PolarHBondContact N-O 3.44Å; L1235-T1297 HydrophobicContact CB-CG2 3.59Å; L1235-T1297 HydrophobicContact CD1-CG2 3.5Å; L1235-T1297 HydrophobicContact CG-CG2 4.06Å; T1297-L1311 WeakPolarHBondContact O-CB 3.38Å; T1297-L1311 VanDerWaalsContact O-CD2 3.28Å; T1297-L1311 WeakPolarHBondContact O-CD2 3Å; T1297-P1312 HydrophobicContact CG2-CG 3.83Å; T1297-T1373 WeakPolarHBondContact CA-O 3.35Å; T1297-T1373 PolarHBondContact N-OG1 3.47Å
1298	S	35.5	Very low	36.4	Very low	53.4 Å²	53.4	73.1 Å²	73.1	37%	0.373	41%	0.409	S	S	.	.			trans	-146.8	137.5	169.5	177.2	0	0	0	0	111.8	P1187 V1188 F1189 S1222 L1235 P1263 F1265 N1296 Q1300 V1310 T1373 T1375	P1187-S1298 PolarHBondContact O-OG 3.21Å; V1188-S1298 VanDerWaalsContact CA-OG 3.23Å; V1188-S1298 WeakPolarHBondContact CA-OG 3.35Å; V1188-S1298 PolarHBondContact N-OG 3.11Å; F1189-S1298 VanDerWaalsContact CD2-CA 3.46Å; F1189-S1298 VanDerWaalsContact CG-CA 3.46Å; S1222-S1298 PolarHBondContact OG-O 3.47Å; L1235-S1298 VanDerWaalsContact CD1-C 3.47Å; L1235-S1298 WeakPolarHBondContact CD1-O 3.48Å; P1263-S1298 WeakPolarHBondContact O-CB 3.41Å; P1263-S1298 PolarHBondContact O-OG 2.94Å; F1265-S1298 WeakPolarHBondContact CD2-OG 2.73Å; F1265-S1298 VanDerWaalsContact CE2-CB 3.48Å; N1296-S1298 PolarHBondContact O-N 3.36Å; S1298-Q1300 PolarHBondContact O-N 3.07Å; S1298-V1310 CarbonylContact C-O 3.31Å; S1298-V1310 PolarHBondContact OG-O 2.99Å; S1298-T1373 PolarHBondContact N-O 2.98Å; S1298-T1375 PolarHBondContact O-N 3.01Å
1299	T	32	Very low	36	Very low	59 Å²	59	74.6 Å²	74.6	36%	0.362	41%	0.414	S	S	.	.			trans	-129.1	133.2	179.2	15.6	0	0	0	0	111.4	V1188 F1189 S1222 T1233 L1235 V1264 F1265 E1295 V1310	V1188-T1299 CarbonylContact C-O 3.58Å; V1188-T1299 VanDerWaalsContact C-O 3.27Å; F1189-T1299 VanDerWaalsContact CA-C 3.47Å; F1189-T1299 VanDerWaalsContact CA-CA 3.43Å; F1189-T1299 VanDerWaalsContact CA-CB 3.42Å; F1189-T1299 VanDerWaalsContact CA-O 3.26Å; F1189-T1299 WeakPolarHBondContact CA-O 3.31Å; F1189-T1299 WeakPolarHBondContact CA-OG1 3.03Å; F1189-T1299 VanDerWaalsContact CB-OG1 3.31Å; F1189-T1299 WeakPolarHBondContact CB-OG1 3.31Å; F1189-T1299 WeakPolarHBondContact CD1-OG1 3.46Å; F1189-T1299 PolarHBondContact N-O 2.76Å; F1189-T1299 WeakPolarHBondContact O-CB 3.46Å; F1189-T1299 PolarHBondContact O-OG1 2.95Å; S1222-T1299 PolarHBondContact O-N 2.96Å; T1233-T1299 VanDerWaalsContact O-CB 3.32Å; T1233-T1299 WeakPolarHBondContact O-CB 3.33Å; T1233-T1299 WeakPolarHBondContact O-CG2 3.07Å; L1235-T1299 HydrophobicContact CB-CG2 4.32Å; L1235-T1299 HydrophobicContact CD1-CG2 3.7Å; L1235-T1299 HydrophobicContact CG-CG2 3.67Å; L1235-T1299 PolarHBondContact N-OG1 2.74Å; V1264-T1299 WeakPolarHBondContact CG1-O 3.12Å; F1265-T1299 VanDerWaalsContact CA-CA 3.46Å; F1265-T1299 PolarHBondContact N-O 2.73Å; F1265-T1299 WeakPolarHBondContact O-CA 3.19Å; F1265-T1299 WeakPolarHBondContact O-CG2 3.28Å; E1295-T1299 HydrophobicContact CB-CG2 3.76Å; E1295-T1299 VanDerWaalsContact CD-CG2 3.49Å; E1295-T1299 HydrophobicContact CG-CG2 4.23Å; E1295-T1299 WeakPolarHBondContact OE2-CG2 3.31Å; T1299-V1310 PolarHBondContact N-O 3.04Å; T1299-V1310 CarbonylContact O-C 3.26Å; T1299-V1310 WeakPolarHBondContact O-CB 3.2Å; T1299-V1310 VanDerWaalsContact O-CG1 3.31Å; T1299-V1310 WeakPolarHBondContact O-CG1 3.33Å
1300	Q	31.7	Very low	35.9	Very low	71 Å²	71	75.5 Å²	75.5	33%	0.332	42%	0.42	S	S	.	.			trans	-122	144.8	177.3	-172.3	165.7	-8.5	0	0	110.6	H1190 P1232 V1264 F1265 H1266 S1298 D1302 V1307 P1308 T1333 T1375 Q1376 T1377	H1190-Q1300 WeakPolarHBondContact CB-O 3.2Å; P1232-Q1300 WeakPolarHBondContact CD-O 3.49Å; V1264-Q1300 HydrophobicContact CB-CB 4.32Å; V1264-Q1300 HydrophobicContact CB-CG 3.78Å; V1264-Q1300 HydrophobicContact CG2-CG 4.19Å; V1264-Q1300 WeakPolarHBondContact O-CB 2.86Å; V1264-Q1300 WeakPolarHBondContact O-CG 3.32Å; V1264-Q1300 PolarHBondContact O-NE2 3.43Å; F1265-Q1300 VanDerWaalsContact CA-N 3.28Å; F1265-Q1300 VanDerWaalsContact N-CA 3.29Å; H1266-Q1300 WeakPolarHBondContact CA-O 3.41Å; H1266-Q1300 HydrophobicContact CB-CB 3.93Å; H1266-Q1300 VanDerWaalsContact CB-O 3.27Å; H1266-Q1300 WeakPolarHBondContact CB-O 2.99Å; H1266-Q1300 VanDerWaalsContact CG-O 3.24Å; H1266-Q1300 PolarHBondContact ND1-O 3.39Å; S1298-Q1300 PolarHBondContact O-N 3.07Å; Q1300-D1302 PolarHBondContact NE2-OD2 2.82Å; Q1300-V1307 HydrophobicContact CG-CG1 3.74Å; Q1300-P1308 HydrophobicContact CG-CB 3.79Å; Q1300-P1308 HydrophobicContact CG-CG 3.74Å; Q1300-P1308 WeakPolarHBondContact CG-O 3.43Å; Q1300-T1333 PolarHBondContact OE1-OG1 2.79Å; Q1300-T1375 PolarHBondContact N-O 3.32Å; Q1300-T1375 VanDerWaalsContact N-O 3.15Å; Q1300-Q1376 PolarHBondContact NE2-O 2.88Å; Q1300-T1377 PolarHBondContact NE2-OG1 2.83Å; Q1300-T1377 PolarHBondContact O-N 3.17Å; Q1300-T1377 VanDerWaalsContact O-N 3.1Å
1301	T	32	Very low	35.9	Very low	78.4 Å²	78.4	74 Å²	74	48%	0.481	41%	0.413	S	S	.	.			trans	-118.8	131.9	174.6	-50.4	0	0	0	0	112.1	D1226 V1231 H1266 P1303 P1308 P1379	D1226-T1301 WeakPolarHBondContact OD1-CG2 3.45Å; D1226-T1301 PolarHBondContact OD2-OG1 2.9Å; V1231-T1301 HydrophobicContact CG1-CG2 4.08Å; H1266-T1301 WeakPolarHBondContact CB-O 3.46Å; T1301-P1303 WeakPolarHBondContact O-CD 3.32Å; T1301-P1308 VanDerWaalsContact C-CD 3.5Å; T1301-P1308 WeakPolarHBondContact O-CD 3.45Å; T1301-P1379 HydrophobicContact CG2-CG 4.24Å
1302	D	36.5	Very low	36.1	Very low	64.8 Å²	64.8	69.8 Å²	69.8	35%	0.347	40%	0.401	S	S	.	.			trans	-110.4	126.8	179	-138.6	-4.3	0	0	0	111.8	R1215 Q1230 V1231 H1266 Q1300 M1304 A1305 Q1306 V1307 T1377 P1379	R1215-D1302 IonicContact CZ-OD2 3.81Å; R1215-D1302 IonicContact NH1-OD2 3.21Å; R1215-D1302 PolarHBondContact NH1-OD2 3.27Å; R1215-D1302 IonicContact NH2-OD2 2.61Å; R1215-D1302 PolarHBondContact NH2-OD2 3.27Å; Q1230-D1302 PolarHBondContact NE2-OD1 2.81Å; V1231-D1302 HydrophobicContact CG2-CB 4.3Å; H1266-D1302 VanDerWaalsContact CD2-CB 3.49Å; H1266-D1302 WeakPolarHBondContact CD2-CB 3.32Å; Q1300-D1302 PolarHBondContact NE2-OD2 2.82Å; D1302-M1304 PolarHBondContact O-N 3.17Å; D1302-A1305 WeakPolarHBondContact OD2-CA 3.45Å; D1302-A1305 PolarHBondContact OD2-N 2.63Å; D1302-Q1306 WeakPolarHBondContact CA-O 3.45Å; D1302-Q1306 WeakPolarHBondContact CB-O 3.33Å; D1302-Q1306 VanDerWaalsContact CG-N 3.3Å; D1302-Q1306 VanDerWaalsContact CG-O 3.24Å; D1302-Q1306 WeakPolarHBondContact OD1-CA 3.38Å; D1302-Q1306 PolarHBondContact OD1-N 2.9Å; D1302-Q1306 PolarHBondContact OD2-N 2.76Å; D1302-V1307 HydrophobicContact CB-CG2 3.96Å; D1302-T1377 WeakPolarHBondContact OD1-CG2 3.33Å; D1302-T1377 PolarHBondContact OD2-OG1 2.84Å; D1302-P1379 WeakPolarHBondContact O-CD 3.41Å; D1302-P1379 WeakPolarHBondContact O-CG 3.37Å
1303	P	33.6	Very low	36.6	Very low	68 Å²	68	69.6 Å²	69.6	44%	0.442	40%	0.399	S	S	.	.			trans	-95.6	130.2	-165.9	22.7	-16.3	0	0	0	114.6	T1225 T1301 A1305 P1379 A1381	T1225-P1303 HydrophobicContact CG2-CG 3.8Å; T1301-P1303 WeakPolarHBondContact O-CD 3.32Å; P1303-A1305 VanDerWaalsContact C-N 3.31Å; P1303-A1305 PolarHBondContact O-N 3.05Å; P1303-A1305 VanDerWaalsContact O-N 3.1Å; P1303-P1379 HydrophobicContact CB-CB 4Å; P1303-P1379 HydrophobicContact CB-CG 4.19Å; P1303-P1379 HydrophobicContact CG-CB 3.77Å; P1303-P1379 HydrophobicContact CG-CG 4.07Å; P1303-A1381 HydrophobicContact CB-CB 3.96Å; P1303-A1381 HydrophobicContact CG-CB 3.8Å; P1303-A1381 WeakPolarHBondContact CG-O 3.42Å; P1303-A1381 WeakPolarHBondContact O-CB 3.35Å
1304	M	33	Very low	37.8	Very low	136.6 Å²	136.6	68.3 Å²	68.3	67%	0.673	39%	0.389	S	S	*	.			trans	-61.9	95.1	174.9	-78.7	-178.9	67.7	0	0	113.1	Q1230 D1302 Q1306	Q1230-M1304 HydrophobicContact CG-CE 4.1Å; D1302-M1304 PolarHBondContact O-N 3.17Å; M1304-Q1306 PolarHBondContact O-N 3.13Å
1305	A	34.7	Very low	38.9	Very low	67.4 Å²	67.4	66.6 Å²	66.6	56%	0.557	38%	0.379	S	S	*	.			trans	-59.1	110.4	168.3	0	0	0	0	0	114.4	D1302 P1303 V1307	D1302-A1305 WeakPolarHBondContact OD2-CA 3.45Å; D1302-A1305 PolarHBondContact OD2-N 2.63Å; P1303-A1305 VanDerWaalsContact C-N 3.31Å; P1303-A1305 PolarHBondContact O-N 3.05Å; P1303-A1305 VanDerWaalsContact O-N 3.1Å; A1305-V1307 PolarHBondContact O-N 3.13Å
1306	Q	30.4	Very low	40.5	Very low	125.4 Å²	125.4	64.9 Å²	64.9	59%	0.586	37%	0.37	S	S	*	.			trans	-110.8	141.7	157.9	-78.7	171.7	29.8	0	0	110.7	D1302 M1304 P1308 M1380 A1381 V1383	D1302-Q1306 WeakPolarHBondContact CA-O 3.45Å; D1302-Q1306 WeakPolarHBondContact CB-O 3.33Å; D1302-Q1306 VanDerWaalsContact CG-N 3.3Å; D1302-Q1306 VanDerWaalsContact CG-O 3.24Å; D1302-Q1306 WeakPolarHBondContact OD1-CA 3.38Å; D1302-Q1306 PolarHBondContact OD1-N 2.9Å; D1302-Q1306 PolarHBondContact OD2-N 2.76Å; M1304-Q1306 PolarHBondContact O-N 3.13Å; Q1306-P1308 WeakPolarHBondContact O-CD 3.33Å; Q1306-M1380 HydrophobicContact CG-CE 4.33Å; Q1306-M1380 VanDerWaalsContact NE2-CE 3.34Å; Q1306-A1381 HydrophobicContact CB-CB 3.95Å; Q1306-A1381 VanDerWaalsContact NE2-C 3.28Å; Q1306-A1381 PolarHBondContact NE2-O 2.89Å; Q1306-V1383 HydrophobicContact CB-CG2 3.68Å; Q1306-V1383 VanDerWaalsContact O-CG2 3.24Å; Q1306-V1383 WeakPolarHBondContact O-CG2 3.35Å
1307	V	33	Very low	42.4	Very low	69.2 Å²	69.2	63.9 Å²	63.9	42%	0.419	37%	0.365	S	S	.	.			trans	-96.7	132.1	-174.5	-174.7	0	0	0	0	111.7	Q1230 P1232 Q1300 D1302 A1305 T1309	Q1230-V1307 HydrophobicContact CB-CG2 3.72Å; Q1230-V1307 HydrophobicContact CG-CG2 3.94Å; Q1230-V1307 WeakPolarHBondContact O-CG2 3.42Å; Q1230-V1307 VanDerWaalsContact OE1-CG2 3.3Å; P1232-V1307 HydrophobicContact CB-CB 4.03Å; P1232-V1307 HydrophobicContact CB-CG1 3.91Å; P1232-V1307 HydrophobicContact CG-CB 4.25Å; P1232-V1307 HydrophobicContact CG-CG1 3.92Å; Q1300-V1307 HydrophobicContact CG-CG1 3.74Å; D1302-V1307 HydrophobicContact CB-CG2 3.96Å; A1305-V1307 PolarHBondContact O-N 3.13Å; V1307-T1309 PolarHBondContact O-N 3.32Å
1308	P	32.8	Very low	44.3	Very low	49.4 Å²	49.4	63 Å²	63	32%	0.321	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-71.3	143	-176.6	21.2	-28.2	0	0	0	114.7	Q1300 T1301 Q1306 V1310 V1383	Q1300-P1308 HydrophobicContact CG-CB 3.79Å; Q1300-P1308 HydrophobicContact CG-CG 3.74Å; Q1300-P1308 WeakPolarHBondContact CG-O 3.43Å; T1301-P1308 VanDerWaalsContact C-CD 3.5Å; T1301-P1308 WeakPolarHBondContact O-CD 3.45Å; Q1306-P1308 WeakPolarHBondContact O-CD 3.33Å; P1308-V1310 HydrophobicContact CB-CB 4.14Å; P1308-V1310 HydrophobicContact CB-CG2 3.69Å; P1308-V1310 PolarHBondContact O-N 3.06Å; P1308-V1383 HydrophobicContact CB-CB 4.23Å; P1308-V1383 HydrophobicContact CB-CG1 4.04Å; P1308-V1383 HydrophobicContact CG-CB 4.21Å; P1308-V1383 HydrophobicContact CG-CG1 3.87Å
1309	T	33.2	Very low	46.2	Very low	71 Å²	71	61.1 Å²	61.1	44%	0.436	35%	0.345	S	S	.	.			trans	-85.7	111.7	165.9	-62.3	0	0	0	0	109.2	L1235 V1307 L1311 T1385	L1235-T1309 HydrophobicContact CD1-CG2 3.8Å; V1307-T1309 PolarHBondContact O-N 3.32Å; T1309-L1311 HydrophobicContact CG2-CD1 4.13Å; T1309-L1311 PolarHBondContact O-N 2.91Å; T1309-T1385 HydrophobicContact CG2-CG2 4.12Å
1310	V	39.8	Very low	48.1	Very low	69.2 Å²	69.2	60.7 Å²	60.7	42%	0.419	34%	0.343	S	S	.	.	B	Isolated β-bridge	trans	-100.7	119	179.6	174.7	0	0	0	0	109.4	S1298 T1299 P1308 T1375 Q1376 P1388	S1298-V1310 CarbonylContact C-O 3.31Å; S1298-V1310 PolarHBondContact OG-O 2.99Å; T1299-V1310 PolarHBondContact N-O 3.04Å; T1299-V1310 CarbonylContact O-C 3.26Å; T1299-V1310 WeakPolarHBondContact O-CB 3.2Å; T1299-V1310 VanDerWaalsContact O-CG1 3.31Å; T1299-V1310 WeakPolarHBondContact O-CG1 3.33Å; P1308-V1310 HydrophobicContact CB-CB 4.14Å; P1308-V1310 HydrophobicContact CB-CG2 3.69Å; P1308-V1310 PolarHBondContact O-N 3.06Å; V1310-T1375 HydrophobicContact CG1-CG2 3.9Å; V1310-Q1376 HydrophobicContact CG2-CB 3.62Å; V1310-Q1376 HydrophobicContact CG2-CG 4.38Å; V1310-Q1376 VanDerWaalsContact CG2-N 3.32Å; V1310-P1388 HydrophobicContact CG1-CG 4.41Å
1311	L	43.7	Very low	50	Low	48.6 Å²	48.6	59.3 Å²	59.3	25%	0.254	34%	0.337	S	S	.	.			trans	-81.5	152.2	175.9	-68.7	123.3	0	0	0	111.3	L1235 T1297 T1309 K1313 T1373 S1374 T1375 T1385 V1386 L1387 P1388	L1235-L1311 HydrophobicContact CD1-CD2 4.04Å; L1235-L1311 HydrophobicContact CD1-CG 4.29Å; T1297-L1311 WeakPolarHBondContact O-CB 3.38Å; T1297-L1311 VanDerWaalsContact O-CD2 3.28Å; T1297-L1311 WeakPolarHBondContact O-CD2 3Å; T1309-L1311 HydrophobicContact CG2-CD1 4.13Å; T1309-L1311 PolarHBondContact O-N 2.91Å; L1311-K1313 PolarHBondContact O-N 2.88Å; L1311-T1373 HydrophobicContact CB-CG2 3.51Å; L1311-T1373 HydrophobicContact CD2-CG2 4.36Å; L1311-S1374 CarbonylContact C-O 3.14Å; L1311-S1374 VanDerWaalsContact C-O 3.27Å; L1311-S1374 WeakPolarHBondContact CA-O 3.49Å; L1311-S1374 WeakPolarHBondContact CB-O 2.82Å; L1311-S1374 WeakPolarHBondContact CD1-O 3.22Å; L1311-S1374 PolarHBondContact N-O 3.34Å; L1311-S1374 CarbonylContact O-C 2.87Å; L1311-S1374 VanDerWaalsContact O-C 3.23Å; L1311-T1375 WeakPolarHBondContact O-CA 3.43Å; L1311-T1375 WeakPolarHBondContact O-CB 3.19Å; L1311-T1375 PolarHBondContact O-OG1 2.77Å; L1311-T1385 HydrophobicContact CD1-CG2 3.57Å; L1311-V1386 WeakPolarHBondContact CD1-O 3.44Å; L1311-L1387 HydrophobicContact CD1-CD2 4.03Å; L1311-L1387 HydrophobicContact CD1-CG 4.46Å; L1311-P1388 HydrophobicContact CB-CB 4.18Å; L1311-P1388 HydrophobicContact CB-CG 4.19Å; L1311-P1388 HydrophobicContact CD2-CB 3.89Å; L1311-P1388 WeakPolarHBondContact O-CG 3.37Å
1312	P	45.2	Very low	51.8	Low	30.6 Å²	30.6	57.9 Å²	57.9	20%	0.199	33%	0.33	C	S	.	.			trans	-69.1	150	-176.5	10.3	-9.8	0	0	0	112.8	L1235 P1236 K1237 T1297 T1314 T1373 S1374 T1375 P1388	L1235-P1312 HydrophobicContact CB-CB 4.12Å; L1235-P1312 HydrophobicContact CB-CG 4.16Å; L1235-P1312 WeakPolarHBondContact O-CG 3.5Å; P1236-P1312 WeakPolarHBondContact O-CB 3.35Å; P1236-P1312 VanDerWaalsContact O-CG 3.26Å; P1236-P1312 WeakPolarHBondContact O-CG 3.18Å; K1237-P1312 HydrophobicContact CB-CB 4.24Å; K1237-P1312 HydrophobicContact CG-CB 4.3Å; T1297-P1312 HydrophobicContact CG2-CG 3.83Å; P1312-T1314 VanDerWaalsContact C-N 3.34Å; P1312-T1314 PolarHBondContact O-N 2.98Å; P1312-T1314 PolarHBondContact O-OG1 3.02Å; P1312-T1373 VanDerWaalsContact C-CG2 3.45Å; P1312-T1373 HydrophobicContact CB-CG2 3.91Å; P1312-T1373 VanDerWaalsContact CD-CG2 3.47Å; P1312-T1373 HydrophobicContact CG-CG2 4.23Å; P1312-T1373 CarbonylContact O-C 3.15Å; P1312-T1373 WeakPolarHBondContact O-CG2 3.5Å; P1312-S1374 CarbonylContact O-C 3.53Å; P1312-S1374 WeakPolarHBondContact O-CA 3.36Å; P1312-S1374 PolarHBondContact O-N 3.3Å; P1312-T1375 PolarHBondContact O-OG1 2.92Å; P1312-T1375 VanDerWaalsContact O-OG1 3.14Å; P1312-P1388 WeakPolarHBondContact O-CB 3.37Å
1313	K	53.7	Low	53.5	Low	82 Å²	82	55.9 Å²	55.9	36%	0.357	32%	0.324	S	S	.	.			trans	-84.1	113.2	170.2	-177.6	-168.1	174.6	173.4	0	111.1	K1237 T1238 L1311 T1315 T1373 K1389 T1390 T1391	K1237-K1313 WeakPolarHBondContact CA-O 3.17Å; K1237-K1313 WeakPolarHBondContact CD-O 3.33Å; K1237-K1313 WeakPolarHBondContact CE-O 3.36Å; K1237-K1313 HydrophobicContact CG-CB 4.37Å; K1237-K1313 WeakPolarHBondContact CG-O 3.26Å; K1237-K1313 PolarHBondContact NZ-O 2.91Å; T1238-K1313 PolarHBondContact N-O 3Å; T1238-K1313 VanDerWaalsContact N-O 3.15Å; L1311-K1313 PolarHBondContact O-N 2.88Å; K1313-T1315 HydrophobicContact CD-CG2 4.48Å; K1313-T1315 VanDerWaalsContact CE-CG2 3.47Å; K1313-T1315 VanDerWaalsContact CE-OG1 3.29Å; K1313-T1315 WeakPolarHBondContact CE-OG1 3.44Å; K1313-T1315 HydrophobicContact CG-CG2 4.41Å; K1313-T1315 VanDerWaalsContact NZ-CG2 3.31Å; K1313-T1315 PolarHBondContact NZ-OG1 3.02Å; K1313-T1315 PolarHBondContact O-OG1 2.67Å; K1313-T1373 WeakPolarHBondContact CA-O 3.42Å; K1313-K1389 HydrophobicContact CD-CD 4.09Å; K1313-K1389 HydrophobicContact CD-CG 4.27Å; K1313-K1389 WeakPolarHBondContact CD-O 3.22Å; K1313-K1389 WeakPolarHBondContact CE-O 3.28Å; K1313-K1389 HydrophobicContact CG-CB 4.26Å; K1313-K1389 WeakPolarHBondContact CG-O 3.23Å; K1313-T1390 PolarHBondContact NZ-O 2.88Å; K1313-T1391 PolarHBondContact NZ-OG1 3.36Å
1314	T	63.4	Low	55.2	Low	18.2 Å²	18.2	54.5 Å²	54.5	11%	0.112	31%	0.314	C	S	.	.			trans	-85.5	152.2	168.5	-45.3	0	0	0	0	110.4	F1240 E1295 P1312 F1316 E1371 T1373 K1389 T1390	F1240-T1314 HydrophobicContact CE2-CG2 4.33Å; E1295-T1314 HydrophobicContact CB-CG2 3.65Å; E1295-T1314 HydrophobicContact CG-CG2 3.97Å; E1295-T1314 VanDerWaalsContact OE1-CB 3.24Å; E1295-T1314 WeakPolarHBondContact OE1-CB 3.4Å; E1295-T1314 VanDerWaalsContact OE1-CG2 3.24Å; E1295-T1314 WeakPolarHBondContact OE1-CG2 3.37Å; E1295-T1314 PolarHBondContact OE1-OG1 3.27Å; P1312-T1314 VanDerWaalsContact C-N 3.34Å; P1312-T1314 PolarHBondContact O-N 2.98Å; P1312-T1314 PolarHBondContact O-OG1 3.02Å; T1314-F1316 HydrophobicContact CG2-CD2 4.19Å; T1314-F1316 HydrophobicContact CG2-CE2 3.75Å; T1314-F1316 VanDerWaalsContact CG2-CE2 3.48Å; T1314-F1316 HydrophobicContact CG2-CZ 3.96Å; T1314-F1316 WeakPolarHBondContact OG1-CE2 3.35Å; T1314-E1371 WeakPolarHBondContact CG2-OE1 3.36Å; T1314-T1373 WeakPolarHBondContact OG1-CB 3.44Å; T1314-T1373 PolarHBondContact OG1-OG1 2.86Å; T1314-K1389 PolarHBondContact N-O 2.81Å; T1314-T1390 WeakPolarHBondContact CB-OG1 3.11Å; T1314-T1390 HydrophobicContact CG2-CG2 3.74Å; T1314-T1390 WeakPolarHBondContact CG2-OG1 3.16Å; T1314-T1390 WeakPolarHBondContact O-CA 3.2Å
1315	T	64	Low	56.9	Low	20.8 Å²	20.8	49.5 Å²	49.5	13%	0.128	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	136.5	176.1	-9.2	0	0	0	0	109	K1237 T1238 T1239 F1240 K1313 D1317 T1391	K1237-T1315 VanDerWaalsContact CE-OG1 3.27Å; K1237-T1315 WeakPolarHBondContact CE-OG1 3.18Å; K1237-T1315 PolarHBondContact NZ-OG1 2.84Å; T1238-T1315 PolarHBondContact O-N 3.32Å; T1239-T1315 WeakPolarHBondContact CA-O 3.4Å; T1239-T1315 WeakPolarHBondContact CG2-OG1 3.34Å; F1240-T1315 WeakPolarHBondContact CB-O 3.17Å; F1240-T1315 PolarHBondContact N-O 3.13Å; K1313-T1315 HydrophobicContact CD-CG2 4.48Å; K1313-T1315 VanDerWaalsContact CE-CG2 3.47Å; K1313-T1315 VanDerWaalsContact CE-OG1 3.29Å; K1313-T1315 WeakPolarHBondContact CE-OG1 3.44Å; K1313-T1315 HydrophobicContact CG-CG2 4.41Å; K1313-T1315 VanDerWaalsContact NZ-CG2 3.31Å; K1313-T1315 PolarHBondContact NZ-OG1 3.02Å; K1313-T1315 PolarHBondContact O-OG1 2.67Å; T1315-D1317 VanDerWaalsContact CB-CG 3.49Å; T1315-D1317 WeakPolarHBondContact CB-OD1 3.16Å; T1315-D1317 WeakPolarHBondContact CB-OD2 3Å; T1315-D1317 PolarHBondContact OG1-OD1 2.87Å; T1315-D1317 PolarHBondContact OG1-OD2 2.76Å; T1315-T1391 CarbonylContact C-O 3.26Å; T1315-T1391 WeakPolarHBondContact CA-O 3.39Å; T1315-T1391 WeakPolarHBondContact CG2-OG1 3.41Å
1316	F	71.3	Confident	58.4	Low	36.2 Å²	36.2	48.6 Å²	48.6	16%	0.159	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	116.7	173.2	-63.6	-93.4	0	0	0	108.4	F1240 V1243 E1295 T1314 V1319 E1371 T1390 T1391 F1392 D1393	F1240-F1316 HydrophobicContact CB-CD1 3.84Å; F1240-F1316 HydrophobicContact CB-CD2 4.46Å; F1240-F1316 HydrophobicContact CB-CE1 4.14Å; F1240-F1316 HydrophobicContact CB-CG 4Å; F1240-F1316 HydrophobicContact CB-CZ 4.28Å; F1240-F1316 HydrophobicContact CD1-CE1 4.06Å; F1240-F1316 HydrophobicContact CD1-CZ 4.3Å; F1240-F1316 AromaticContact CD2-CD1 3.6Å; F1240-F1316 HydrophobicContact CD2-CD1 3.73Å; F1240-F1316 HydrophobicContact CD2-CD2 4.05Å; F1240-F1316 AromaticContact CD2-CE1 3.37Å; F1240-F1316 HydrophobicContact CD2-CE1 3.37Å; F1240-F1316 AromaticContact CD2-CE2 3.49Å; F1240-F1316 HydrophobicContact CD2-CE2 3.49Å; F1240-F1316 VanDerWaalsContact CD2-CE2 3.49Å; F1240-F1316 HydrophobicContact CD2-CG 4.37Å; F1240-F1316 AromaticContact CD2-CZ 3.75Å; F1240-F1316 HydrophobicContact CD2-CZ 3.88Å; F1240-F1316 HydrophobicContact CE2-CD1 4.34Å; F1240-F1316 AromaticContact CE2-CE1 3.65Å; F1240-F1316 HydrophobicContact CE2-CE1 3.78Å; F1240-F1316 AromaticContact CE2-CE2 3.96Å; F1240-F1316 HydrophobicContact CE2-CE2 3.96Å; F1240-F1316 AromaticContact CE2-CZ 3.81Å; F1240-F1316 HydrophobicContact CE2-CZ 3.99Å; F1240-F1316 AromaticContact CG-CD1 3.87Å; F1240-F1316 HydrophobicContact CG-CD1 3.99Å; F1240-F1316 AromaticContact CG-CE1 3.77Å; F1240-F1316 HydrophobicContact CG-CE1 3.88Å; F1240-F1316 HydrophobicContact CG-CE2 4.18Å; F1240-F1316 HydrophobicContact CG-CG 4.42Å; F1240-F1316 AromaticContact CG-CZ 3.68Å; F1240-F1316 HydrophobicContact CG-CZ 3.68Å; F1240-F1316 HydrophobicContact CZ-CE1 4.38Å; F1240-F1316 HydrophobicContact CZ-CZ 4.25Å; F1240-F1316 WeakPolarHBondContact O-CA 3.45Å; V1243-F1316 HydrophobicContact CB-CD1 4.46Å; V1243-F1316 HydrophobicContact CG2-CD1 3.97Å; V1243-F1316 HydrophobicContact CG2-CE1 4.1Å; E1295-F1316 HydrophobicContact CB-CE2 3.96Å; T1314-F1316 HydrophobicContact CG2-CD2 4.19Å; T1314-F1316 HydrophobicContact CG2-CE2 3.75Å; T1314-F1316 VanDerWaalsContact CG2-CE2 3.48Å; T1314-F1316 HydrophobicContact CG2-CZ 3.96Å; T1314-F1316 WeakPolarHBondContact OG1-CE2 3.35Å; F1316-V1319 HydrophobicContact CB-CG2 3.64Å; F1316-V1319 HydrophobicContact CD1-CG2 3.92Å; F1316-V1319 HydrophobicContact CD2-CG2 4.05Å; F1316-V1319 HydrophobicContact CG-CG2 3.98Å; F1316-E1371 HydrophobicContact CD2-CG 4.36Å; F1316-E1371 WeakPolarHBondContact CD2-OE2 3Å; F1316-E1371 WeakPolarHBondContact CE2-OE2 3.09Å; F1316-T1390 HydrophobicContact CD2-CG2 4.34Å; F1316-T1390 HydrophobicContact CE2-CG2 4.31Å; F1316-T1391 PolarHBondContact N-O 2.99Å; F1316-T1391 VanDerWaalsContact N-O 3.12Å; F1316-F1392 HydrophobicContact CB-CB 4.14Å; F1316-F1392 HydrophobicContact CB-CD1 3.78Å; F1316-F1392 VanDerWaalsContact CB-CD1 3.43Å; F1316-F1392 HydrophobicContact CB-CD2 4.28Å; F1316-F1392 HydrophobicContact CB-CE1 4.13Å; F1316-F1392 HydrophobicContact CB-CG 3.69Å; F1316-F1392 HydrophobicContact CB-CZ 4.37Å; F1316-F1392 HydrophobicContact CD1-CE1 4.38Å; F1316-F1392 HydrophobicContact CD1-CZ 4.5Å; F1316-F1392 AromaticContact CD2-CD1 3.63Å; F1316-F1392 HydrophobicContact CD2-CD1 3.63Å; F1316-F1392 VanDerWaalsContact CD2-CD1 3.48Å; F1316-F1392 AromaticContact CD2-CE1 3.31Å; F1316-F1392 HydrophobicContact CD2-CE1 3.31Å; F1316-F1392 VanDerWaalsContact CD2-CE1 3.43Å; F1316-F1392 HydrophobicContact CD2-CG 4.37Å; F1316-F1392 AromaticContact CD2-CZ 3.9Å; F1316-F1392 HydrophobicContact CD2-CZ 4.05Å; F1316-F1392 HydrophobicContact CE2-CD1 4.38Å; F1316-F1392 AromaticContact CE2-CE1 3.68Å; F1316-F1392 HydrophobicContact CE2-CE1 3.68Å; F1316-F1392 VanDerWaalsContact CE2-CE1 3.49Å; F1316-F1392 AromaticContact CE2-CZ 3.88Å; F1316-F1392 HydrophobicContact CE2-CZ 3.98Å; F1316-F1392 AromaticContact CG-CD1 3.84Å; F1316-F1392 HydrophobicContact CG-CD1 4.05Å; F1316-F1392 AromaticContact CG-CE1 3.83Å; F1316-F1392 HydrophobicContact CG-CE1 4.01Å; F1316-F1392 HydrophobicContact CG-CG 4.45Å; F1316-F1392 HydrophobicContact CG-CZ 4.33Å; F1316-F1392 HydrophobicContact CZ-CE1 4.36Å; F1316-F1392 CarbonylContact O-C 3.14Å; F1316-F1392 WeakPolarHBondContact O-CA 3.24Å; F1316-D1393 PolarHBondContact O-N 3.08Å; F1316-D1393 VanDerWaalsContact O-N 3.12Å
1317	D	76.3	Confident	60.1	Low	53.8 Å²	53.8	43.8 Å²	43.8	29%	0.288	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	-27.6	-178.1	-97.5	9.4	0	0	0	108.9	T1239 F1240 D1241 V1242 T1315 D1393 V1394	T1239-D1317 WeakPolarHBondContact CG2-OD1 3.49Å; F1240-D1317 WeakPolarHBondContact O-CB 3.13Å; F1240-D1317 PolarHBondContact O-N 3.19Å; F1240-D1317 VanDerWaalsContact O-N 3.16Å; D1241-D1317 WeakPolarHBondContact O-CB 2.94Å; D1241-D1317 PolarHBondContact O-N 3Å; V1242-D1317 PolarHBondContact N-O 3.17Å; T1315-D1317 VanDerWaalsContact CB-CG 3.49Å; T1315-D1317 WeakPolarHBondContact CB-OD1 3.16Å; T1315-D1317 WeakPolarHBondContact CB-OD2 3Å; T1315-D1317 PolarHBondContact OG1-OD1 2.87Å; T1315-D1317 PolarHBondContact OG1-OD2 2.76Å; D1317-D1393 WeakPolarHBondContact O-CB 3.36Å; D1317-D1393 PolarHBondContact O-N 2.97Å; D1317-V1394 WeakPolarHBondContact O-CA 3.31Å; D1317-V1394 WeakPolarHBondContact O-CB 3.43Å; D1317-V1394 WeakPolarHBondContact O-CG2 3.48Å; D1317-V1394 PolarHBondContact O-N 2.92Å
1318	V	74.1	Confident	61.3	Low	50.4 Å²	50.4	41.9 Å²	41.9	31%	0.305	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	115.4	-178.1	-173.2	0	0	0	0	111.5	D1241 V1242 V1243 D1393 V1394 V1395	D1241-V1318 WeakPolarHBondContact O-CB 3.3Å; D1241-V1318 PolarHBondContact O-N 3.13Å; V1242-V1318 WeakPolarHBondContact CA-O 3.13Å; V1242-V1318 HydrophobicContact CB-CG1 4.46Å; V1242-V1318 HydrophobicContact CB-CG2 4.44Å; V1242-V1318 HydrophobicContact CG2-CB 4.44Å; V1242-V1318 WeakPolarHBondContact O-CA 3.45Å; V1243-V1318 PolarHBondContact N-O 3.24Å; V1318-D1393 PolarHBondContact N-O 2.96Å; V1318-V1394 WeakPolarHBondContact CA-O 2.99Å; V1318-V1394 HydrophobicContact CB-CG2 4.45Å; V1318-V1394 HydrophobicContact CG1-CB 4.33Å; V1318-V1394 HydrophobicContact CG1-CG1 4.35Å; V1318-V1394 HydrophobicContact CG2-CB 4.41Å; V1318-V1394 WeakPolarHBondContact O-CA 3.35Å; V1318-V1395 PolarHBondContact O-N 3.32Å
1319	V	75.3	Confident	62.5	Low	12.6 Å²	12.6	42.2 Å²	42.2	8%	0.076	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	119.2	-179.7	-177.3	0	0	0	0	110.7	V1242 V1243 T1244 I1258 F1316 Q1321 F1392 V1394 V1395 T1396	V1242-V1319 PolarHBondContact O-N 3.08Å; V1243-V1319 CarbonylContact C-O 3.53Å; V1243-V1319 WeakPolarHBondContact CA-O 3.16Å; V1243-V1319 HydrophobicContact CB-CG1 4.43Å; V1243-V1319 HydrophobicContact CB-CG2 4.35Å; V1243-V1319 HydrophobicContact CG1-CG1 4.28Å; V1243-V1319 HydrophobicContact CG2-CB 4.48Å; T1244-V1319 PolarHBondContact N-O 3.17Å; I1258-V1319 HydrophobicContact CD1-CG1 4.26Å; F1316-V1319 HydrophobicContact CB-CG2 3.64Å; F1316-V1319 HydrophobicContact CD1-CG2 3.92Å; F1316-V1319 HydrophobicContact CD2-CG2 4.05Å; F1316-V1319 HydrophobicContact CG-CG2 3.98Å; V1319-Q1321 HydrophobicContact CG1-CG 4.04Å; V1319-Q1321 VanDerWaalsContact CG1-NE2 3.32Å; V1319-F1392 HydrophobicContact CG1-CE1 4.27Å; V1319-F1392 HydrophobicContact CG2-CD1 4.08Å; V1319-F1392 HydrophobicContact CG2-CE1 4.15Å; V1319-V1394 PolarHBondContact N-O 2.9Å; V1319-V1395 CarbonylContact C-O 3.54Å; V1319-V1395 WeakPolarHBondContact CA-O 3.34Å; V1319-V1395 HydrophobicContact CB-CG1 4.39Å; V1319-V1395 HydrophobicContact CB-CG2 4.3Å; V1319-V1395 HydrophobicContact CG1-CG1 4.36Å; V1319-V1395 WeakPolarHBondContact O-CA 2.99Å; V1319-T1396 WeakPolarHBondContact O-CB 3.46Å; V1319-T1396 PolarHBondContact O-N 3.13Å
1320	T	73.3	Confident	63.5	Low	50.2 Å²	50.2	40.2 Å²	40.2	31%	0.308	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	119	175.4	-59.6	0	0	0	0	110.8	V1243 T1244 Q1245 V1395 T1396 Q1397	V1243-T1320 WeakPolarHBondContact O-CB 2.88Å; V1243-T1320 PolarHBondContact O-N 3.03Å; T1244-T1320 CarbonylContact C-O 3.53Å; T1244-T1320 VanDerWaalsContact CA-O 3.32Å; T1244-T1320 WeakPolarHBondContact CA-O 3.25Å; T1244-T1320 HydrophobicContact CG2-CG2 4.38Å; T1244-T1320 CarbonylContact O-C 3.6Å; T1244-T1320 WeakPolarHBondContact O-CA 3.29Å; Q1245-T1320 PolarHBondContact N-O 3.28Å; T1320-V1395 PolarHBondContact N-O 3.18Å; T1320-T1396 WeakPolarHBondContact CA-O 3.03Å; T1320-T1396 CarbonylContact O-C 3.59Å; T1320-T1396 WeakPolarHBondContact O-CA 3.21Å; T1320-Q1397 PolarHBondContact O-N 3.04Å
1321	Q	70.5	Confident	64.3	Low	43.2 Å²	43.2	38.8 Å²	38.8	20%	0.202	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	123.6	179.7	-85.1	-178.7	8	0	0	111	T1244 Q1245 S1246 I1258 R1291 S1293 V1319 T1396 Q1397 S1398	T1244-Q1321 PolarHBondContact O-N 3.11Å; Q1245-Q1321 CarbonylContact C-O 3.58Å; Q1245-Q1321 WeakPolarHBondContact CA-O 3.39Å; Q1245-Q1321 HydrophobicContact CB-CG 4.29Å; Q1245-Q1321 HydrophobicContact CG-CB 4.37Å; Q1245-Q1321 VanDerWaalsContact NE2-OE1 3.11Å; Q1245-Q1321 CarbonylContact O-C 3.58Å; Q1245-Q1321 WeakPolarHBondContact O-CA 3.01Å; S1246-Q1321 PolarHBondContact N-O 3.24Å; I1258-Q1321 HydrophobicContact CD1-CB 4.28Å; R1291-Q1321 HydrophobicContact CB-CB 3.69Å; R1291-Q1321 HydrophobicContact CB-CG 4.26Å; R1291-Q1321 HydrophobicContact CG-CB 3.87Å; R1291-Q1321 VanDerWaalsContact NH1-CD 3.29Å; S1293-Q1321 PolarHBondContact OG-NE2 3.24Å; V1319-Q1321 HydrophobicContact CG1-CG 4.04Å; V1319-Q1321 VanDerWaalsContact CG1-NE2 3.32Å; Q1321-T1396 PolarHBondContact N-O 3.39Å; Q1321-Q1397 CarbonylContact C-O 3.54Å; Q1321-Q1397 WeakPolarHBondContact CA-O 3.29Å; Q1321-Q1397 HydrophobicContact CB-CG 4.16Å; Q1321-Q1397 HydrophobicContact CG-CB 4.41Å; Q1321-Q1397 CarbonylContact O-C 3.6Å; Q1321-Q1397 WeakPolarHBondContact O-CA 3.33Å; Q1321-Q1397 VanDerWaalsContact OE1-NE2 3.09Å; Q1321-S1398 WeakPolarHBondContact O-CB 3.23Å; Q1321-S1398 PolarHBondContact O-N 3.06Å
1322	S	69.2	Low	64.7	Low	49.2 Å²	49.2	38.3 Å²	38.3	34%	0.344	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	152.6	175.5	177.4	0	0	0	0	112.6	Q1245 S1246 G1247 Q1397 S1398 G1399	Q1245-S1322 PolarHBondContact O-N 2.9Å; S1246-S1322 WeakPolarHBondContact CA-O 3.33Å; S1246-S1322 WeakPolarHBondContact CB-O 3.11Å; S1246-S1322 WeakPolarHBondContact CB-OG 2.99Å; S1246-S1322 VanDerWaalsContact O-CA 3.29Å; S1246-S1322 WeakPolarHBondContact O-CA 3.33Å; S1246-S1322 PolarHBondContact OG-O 2.87Å; G1247-S1322 PolarHBondContact N-O 2.88Å; S1322-Q1397 PolarHBondContact N-O 3.07Å; S1322-S1398 WeakPolarHBondContact CA-O 3.34Å; S1322-S1398 WeakPolarHBondContact CB-O 3.49Å; S1322-S1398 VanDerWaalsContact O-CA 3.29Å; S1322-S1398 WeakPolarHBondContact O-CA 3.26Å; S1322-S1398 WeakPolarHBondContact OG-CB 3.2Å; S1322-S1398 PolarHBondContact OG-O 3.33Å; S1322-S1398 PolarHBondContact OG-OG 3.12Å; S1322-G1399 PolarHBondContact O-N 3.01Å; S1322-G1399 VanDerWaalsContact O-N 3.1Å
1323	G	72.7	Confident	64.8	Low	21.6 Å²	21.6	38.9 Å²	38.9	22%	0.223	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.4	163	178.7	0	0	0	0	0	114.9	T1213 S1246 G1247 T1248 A1288 T1289 S1398 G1399 T1400	T1213-G1323 WeakPolarHBondContact OG1-CA 3.23Å; S1246-G1323 PolarHBondContact O-N 3.16Å; S1246-G1323 VanDerWaalsContact O-N 3.09Å; G1247-G1323 CarbonylContact C-O 3.57Å; G1247-G1323 WeakPolarHBondContact CA-O 3.38Å; G1247-G1323 CarbonylContact O-C 3.56Å; G1247-G1323 VanDerWaalsContact O-CA 3.24Å; G1247-G1323 WeakPolarHBondContact O-CA 3.32Å; T1248-G1323 PolarHBondContact N-O 2.88Å; A1288-G1323 VanDerWaalsContact O-O 3.13Å; T1289-G1323 PolarHBondContact OG1-N 2.73Å; T1289-G1323 PolarHBondContact OG1-O 2.87Å; G1323-S1398 PolarHBondContact N-O 2.78Å; G1323-G1399 CarbonylContact C-O 3.55Å; G1323-G1399 WeakPolarHBondContact CA-O 3.41Å; G1323-G1399 CarbonylContact O-C 3.55Å; G1323-G1399 WeakPolarHBondContact O-CA 3.37Å; G1323-T1400 PolarHBondContact O-N 3.11Å
1324	T	70	Confident	64.6	Low	38.6 Å²	38.6	37.4 Å²	37.4	24%	0.237	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	135.2	174.6	-46.6	0	0	0	0	110.6	Q1211 A1212 T1213 G1247 T1248 V1249 A1288 T1289 G1399 T1400 V1401	Q1211-T1324 HydrophobicContact CB-CG2 4Å; Q1211-T1324 HydrophobicContact CG-CG2 4.38Å; Q1211-T1324 WeakPolarHBondContact CG-OG1 2.99Å; Q1211-T1324 PolarHBondContact NE2-OG1 2.77Å; Q1211-T1324 WeakPolarHBondContact O-CB 3.25Å; A1212-T1324 VanDerWaalsContact C-CB 3.48Å; A1212-T1324 CarbonylContact C-O 3.55Å; A1212-T1324 PolarHBondContact N-OG1 2.87Å; A1212-T1324 PolarHBondContact O-OG1 3.08Å; T1213-T1324 WeakPolarHBondContact CA-O 3.31Å; T1213-T1324 VanDerWaalsContact CB-N 3.26Å; T1213-T1324 WeakPolarHBondContact CB-O 3.36Å; T1213-T1324 PolarHBondContact N-O 2.96Å; T1213-T1324 PolarHBondContact OG1-N 2.74Å; G1247-T1324 PolarHBondContact O-N 3.29Å; T1248-T1324 CarbonylContact C-O 3.56Å; T1248-T1324 VanDerWaalsContact CA-O 3.3Å; T1248-T1324 WeakPolarHBondContact CA-O 3.46Å; T1248-T1324 CarbonylContact O-C 3.58Å; T1248-T1324 WeakPolarHBondContact O-CA 3.41Å; V1249-T1324 PolarHBondContact N-O 2.95Å; A1288-T1324 HydrophobicContact CB-CG2 4.27Å; A1288-T1324 VanDerWaalsContact O-CA 3.32Å; A1288-T1324 WeakPolarHBondContact O-CA 3.05Å; T1289-T1324 CarbonylContact C-O 2.96Å; T1289-T1324 WeakPolarHBondContact CA-O 3.1Å; T1324-G1399 PolarHBondContact N-O 3.12Å; T1324-T1400 CarbonylContact C-O 3.54Å; T1324-T1400 VanDerWaalsContact CA-O 3.31Å; T1324-T1400 WeakPolarHBondContact CA-O 3.17Å; T1324-T1400 CarbonylContact O-C 3.57Å; T1324-T1400 WeakPolarHBondContact O-CA 3.31Å; T1324-V1401 PolarHBondContact O-N 3.04Å
1325	V	68.6	Low	63.8	Low	31.4 Å²	31.4	38.4 Å²	38.4	19%	0.19	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	121.5	174.6	178.1	0	0	0	0	109	V1194 Q1211 T1213 T1248 V1249 H1250 S1254 A1288 M1290 C1327 T1400 V1401 H1402	V1194-V1325 HydrophobicContact CG1-CG1 4.15Å; Q1211-V1325 CarbonylContact O-C 3.56Å; T1213-V1325 WeakPolarHBondContact O-CG2 3.24Å; T1248-V1325 PolarHBondContact O-N 2.86Å; V1249-V1325 CarbonylContact C-O 3.56Å; V1249-V1325 WeakPolarHBondContact CA-O 3.35Å; V1249-V1325 HydrophobicContact CG2-CB 4.48Å; V1249-V1325 CarbonylContact O-C 3.59Å; V1249-V1325 WeakPolarHBondContact O-CA 3.29Å; H1250-V1325 PolarHBondContact N-O 3.28Å; S1254-V1325 WeakPolarHBondContact OG-CG1 3.29Å; A1288-V1325 HydrophobicContact CB-CB 4.17Å; A1288-V1325 WeakPolarHBondContact CB-O 3.01Å; M1290-V1325 HydrophobicContact CB-CG2 3.54Å; V1325-C1327 PolarHBondContact O-SG 3Å; V1325-C1327 VanDerWaalsContact O-SG 3.35Å; V1325-T1400 PolarHBondContact N-O 2.88Å; V1325-V1401 CarbonylContact C-O 3.55Å; V1325-V1401 WeakPolarHBondContact CA-O 3.35Å; V1325-V1401 HydrophobicContact CB-CG2 3.66Å; V1325-V1401 HydrophobicContact CG1-CG2 3.65Å; V1325-V1401 HydrophobicContact CG2-CG2 4.16Å; V1325-H1402 PolarHBondContact O-N 3.5Å
1326	H	66.5	Low	62.7	Low	50 Å²	50	40.4 Å²	40.4	23%	0.231	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	109.8	176.7	-145.3	-92	0	0	0	109.7	Q1211 A1212 V1249 H1250 C1251 V1286 V1401 H1402 C1403	Q1211-H1326 WeakPolarHBondContact O-CB 3.36Å; Q1211-H1326 PolarHBondContact O-CD2 3.43Å; Q1211-H1326 PolarHBondContact O-N 2.99Å; A1212-H1326 HydrophobicContact CB-CB 4.15Å; A1212-H1326 WeakPolarHBondContact CB-O 3.28Å; V1249-H1326 CarbonylContact C-O 3.5Å; V1249-H1326 PolarHBondContact O-N 3.03Å; H1250-H1326 CarbonylContact C-O 3.59Å; H1250-H1326 WeakPolarHBondContact CA-O 3.27Å; H1250-H1326 HydrophobicContact CB-CB 4.18Å; H1250-H1326 VanDerWaalsContact CB-CE1 3.47Å; H1250-H1326 WeakPolarHBondContact CB-CE1 3.47Å; H1250-H1326 VanDerWaalsContact CB-NE2 3.28Å; H1250-H1326 WeakPolarHBondContact CB-NE2 3.42Å; H1250-H1326 WeakPolarHBondContact CD2-CB 3.35Å; H1250-H1326 AromaticContact CD2-CG 3.76Å; H1250-H1326 AromaticContact CD2-ND1 3.39Å; H1250-H1326 PolarHBondContact CD2-ND1 3.26Å; H1250-H1326 VanDerWaalsContact CD2-ND1 3.31Å; H1250-H1326 AromaticContact CE1-NE2 3.59Å; H1250-H1326 AromaticContact CG-CD2 3.59Å; H1250-H1326 AromaticContact CG-NE2 3.89Å; H1250-H1326 PolarHBondContact N-O 2.88Å; H1250-H1326 AromaticContact ND1-CD2 3.15Å; H1250-H1326 PolarHBondContact ND1-CD2 3.34Å; H1250-H1326 AromaticContact ND1-NE2 3.02Å; H1250-H1326 PolarHBondContact ND1-NE2 3.47Å; H1250-H1326 AromaticContact NE2-CE1 3.79Å; H1250-H1326 AromaticContact NE2-CG 3.78Å; H1250-H1326 AromaticContact NE2-ND1 3.17Å; H1250-H1326 PolarHBondContact NE2-ND1 3.23Å; H1250-H1326 VanDerWaalsContact NE2-ND1 3.17Å; H1250-H1326 CarbonylContact O-C 3.58Å; H1250-H1326 WeakPolarHBondContact O-CA 3.41Å; C1251-H1326 PolarHBondContact N-O 3.1Å; C1251-H1326 VanDerWaalsContact N-O 3.09Å; V1286-H1326 WeakPolarHBondContact CG1-NE2 3.36Å; H1326-V1401 PolarHBondContact N-O 3.16Å; H1326-H1402 WeakPolarHBondContact CA-O 3.08Å; H1326-H1402 HydrophobicContact CB-CB 4.44Å; H1326-H1402 AromaticContact CD2-CG 3.77Å; H1326-H1402 AromaticContact CD2-ND1 3.23Å; H1326-H1402 PolarHBondContact CD2-ND1 2.75Å; H1326-H1402 AromaticContact CE1-CD2 3.97Å; H1326-H1402 AromaticContact CE1-NE2 3.58Å; H1326-H1402 AromaticContact CG-CD2 3.51Å; H1326-H1402 AromaticContact CG-NE2 3.94Å; H1326-H1402 AromaticContact ND1-CD2 3.1Å; H1326-H1402 PolarHBondContact ND1-CD2 3.4Å; H1326-H1402 AromaticContact ND1-NE2 3.08Å; H1326-H1402 PolarHBondContact ND1-NE2 3.27Å; H1326-H1402 AromaticContact NE2-CE1 3.8Å; H1326-H1402 AromaticContact NE2-ND1 3.19Å; H1326-H1402 PolarHBondContact NE2-ND1 2.91Å; H1326-H1402 VanDerWaalsContact NE2-ND1 3.19Å; H1326-H1402 CarbonylContact O-C 3.59Å; H1326-H1402 WeakPolarHBondContact O-CA 3.19Å; H1326-C1403 PolarHBondContact O-N 3.22Å
1327	C	64.7	Low	61.1	Low	23.2 Å²	23.2	41.7 Å²	41.7	16%	0.157	24%	0.241	C	C	.	.	S	Bend	trans	-152.7	141.7	171.5	-27.2	0	0	0	0	113.3	Q1177 V1194 G1195 L1196 V1249 H1250 C1251 A1252 Q1253 S1254 V1325 Q1329 S1330 H1402 C1403	Q1177-C1327 PolarHBondContact NE2-SG 2.7Å; V1194-C1327 CarbonylContact O-C 3.33Å; V1194-C1327 WeakPolarHBondContact O-CB 3.32Å; V1194-C1327 PolarHBondContact O-SG 2.89Å; G1195-C1327 VanDerWaalsContact CA-N 3.29Å; G1195-C1327 WeakPolarHBondContact CA-SG 3.4Å; G1195-C1327 PolarHBondContact N-SG 3.23Å; L1196-C1327 VanDerWaalsContact C-C 3.4Å; L1196-C1327 CarbonylContact C-O 3.36Å; L1196-C1327 CarbonylContact O-C 3.48Å; L1196-C1327 PolarHBondContact O-N 3.02Å; V1249-C1327 HydrophobicContact CB-CB 4.26Å; V1249-C1327 VanDerWaalsContact CB-SG 3.59Å; V1249-C1327 HydrophobicContact CG1-CB 4.07Å; V1249-C1327 WeakPolarHBondContact CG1-SG 3.36Å; V1249-C1327 WeakPolarHBondContact O-CB 3.31Å; H1250-C1327 VanDerWaalsContact C-SG 3.5Å; H1250-C1327 WeakPolarHBondContact O-CB 3.47Å; H1250-C1327 PolarHBondContact O-N 3.33Å; H1250-C1327 PolarHBondContact O-SG 3.04Å; C1251-C1327 CarbonylContact C-O 3.5Å; C1251-C1327 WeakPolarHBondContact CA-O 3.35Å; C1251-C1327 PolarHBondContact N-O 2.62Å; C1251-C1327 CarbonylContact O-C 3.53Å; C1251-C1327 WeakPolarHBondContact O-CA 3.33Å; C1251-C1327 VanDerWaalsContact O-CB 3.23Å; C1251-C1327 WeakPolarHBondContact O-CB 3.38Å; C1251-C1327 WeakPolarHBondContact SG-CA 3.41Å; C1251-C1327 WeakPolarHBondContact SG-CB 3.1Å; C1251-C1327 PolarHBondContact SG-O 3.34Å; A1252-C1327 PolarHBondContact N-O 3.1Å; Q1253-C1327 VanDerWaalsContact NE2-C 3.35Å; S1254-C1327 PolarHBondContact OG-SG 3.41Å; S1254-C1327 VanDerWaalsContact OG-SG 3.4Å; V1325-C1327 PolarHBondContact O-SG 3Å; V1325-C1327 VanDerWaalsContact O-SG 3.35Å; C1327-Q1329 PolarHBondContact SG-O 3.2Å; C1327-S1330 WeakPolarHBondContact SG-CB 2.92Å; C1327-H1402 PolarHBondContact N-O 3.31Å; C1327-C1403 WeakPolarHBondContact CA-O 3.36Å; C1327-C1403 WeakPolarHBondContact O-CA 3.21Å; C1327-C1403 VanDerWaalsContact O-CB 3.3Å; C1327-C1403 WeakPolarHBondContact O-CB 3.2Å
1328	A	58.3	Low	59.5	Low	29.8 Å²	29.8	42.8 Å²	42.8	25%	0.246	24%	0.241	C	C	.	.	S	Bend	trans	-126.3	22.2	163.3	0	0	0	0	0	114.2	V1194 G1195 L1196 D1197 C1251 A1252 Q1253 C1403 A1404 Q1405	V1194-A1328 PolarHBondContact O-N 2.92Å; G1195-A1328 VanDerWaalsContact C-N 3.28Å; G1195-A1328 VanDerWaalsContact CA-N 3.34Å; G1195-A1328 CarbonylContact O-C 3.17Å; L1196-A1328 CarbonylContact C-O 2.94Å; L1196-A1328 WeakPolarHBondContact CA-O 3.35Å; L1196-A1328 PolarHBondContact N-O 3.02Å; D1197-A1328 PolarHBondContact N-O 2.73Å; C1251-A1328 PolarHBondContact O-N 2.93Å; A1252-A1328 WeakPolarHBondContact CA-O 3.39Å; A1252-A1328 WeakPolarHBondContact O-CA 3.32Å; A1252-A1328 WeakPolarHBondContact O-CB 3.25Å; A1252-A1328 PolarHBondContact O-N 3.31Å; Q1253-A1328 HydrophobicContact CB-CB 4.46Å; Q1253-A1328 VanDerWaalsContact CG-C 3.46Å; Q1253-A1328 PolarHBondContact N-O 3.27Å; Q1253-A1328 VanDerWaalsContact NE2-C 3.31Å; A1328-C1403 CarbonylContact C-O 3.45Å; A1328-C1403 WeakPolarHBondContact CA-O 3.47Å; A1328-C1403 WeakPolarHBondContact CB-O 3.28Å; A1328-C1403 VanDerWaalsContact N-CB 3.27Å; A1328-C1403 PolarHBondContact N-O 3.18Å; A1328-A1404 HydrophobicContact CB-CB 3.91Å; A1328-A1404 WeakPolarHBondContact O-CA 3.24Å; A1328-A1404 WeakPolarHBondContact O-CB 3.25Å; A1328-A1404 PolarHBondContact O-N 3.46Å; A1328-Q1405 WeakPolarHBondContact O-CG 3.4Å; A1328-Q1405 PolarHBondContact O-N 3.27Å
1329	Q	58.9	Low	57.9	Low	56.2 Å²	56.2	43 Å²	43	26%	0.263	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	123.4	174.2	-50.9	163.8	-44.1	0	0	113.6	N1193 V1194 G1195 A1252 Q1253 S1254 C1327 V1331 C1403 A1404 Q1405 S1406 C1479	N1193-Q1329 CarbonylContact C-O 3.53Å; N1193-Q1329 HydrophobicContact CB-CB 4.23Å; N1193-Q1329 VanDerWaalsContact CB-O 3.28Å; N1193-Q1329 WeakPolarHBondContact CB-O 3.08Å; N1193-Q1329 VanDerWaalsContact O-O 3.06Å; V1194-Q1329 CarbonylContact C-O 3.23Å; V1194-Q1329 WeakPolarHBondContact CA-O 3.44Å; V1194-Q1329 PolarHBondContact N-O 3.18Å; V1194-Q1329 VanDerWaalsContact N-O 3.16Å; V1194-Q1329 PolarHBondContact O-N 3.4Å; G1195-Q1329 PolarHBondContact N-O 3.34Å; G1195-Q1329 CarbonylContact O-C 3.21Å; G1195-Q1329 VanDerWaalsContact O-C 3.24Å; G1195-Q1329 WeakPolarHBondContact O-CA 3.36Å; G1195-Q1329 PolarHBondContact O-N 3.39Å; A1252-Q1329 PolarHBondContact O-N 3.26Å; Q1253-Q1329 WeakPolarHBondContact CA-O 3.28Å; Q1253-Q1329 HydrophobicContact CB-CG 4.42Å; Q1253-Q1329 VanDerWaalsContact CG-C 3.45Å; Q1253-Q1329 VanDerWaalsContact NE2-N 3.2Å; Q1253-Q1329 PolarHBondContact NE2-O 2.89Å; Q1253-Q1329 WeakPolarHBondContact O-CA 3.38Å; Q1253-Q1329 PolarHBondContact OE1-O 2.88Å; S1254-Q1329 PolarHBondContact N-O 3.04Å; S1254-Q1329 VanDerWaalsContact N-O 3.1Å; C1327-Q1329 PolarHBondContact SG-O 3.2Å; Q1329-V1331 PolarHBondContact O-N 2.77Å; Q1329-C1403 HydrophobicContact CB-CB 3.5Å; Q1329-C1403 VanDerWaalsContact CB-CB 3.5Å; Q1329-C1403 VanDerWaalsContact CB-SG 3.5Å; Q1329-C1403 HydrophobicContact CG-CB 3.43Å; Q1329-C1403 VanDerWaalsContact CG-CB 3.43Å; Q1329-C1403 WeakPolarHBondContact CG-SG 3.42Å; Q1329-C1403 PolarHBondContact O-SG 2.86Å; Q1329-C1403 VanDerWaalsContact O-SG 3.35Å; Q1329-C1403 PolarHBondContact OE1-SG 3.07Å; Q1329-A1404 HydrophobicContact CG-CB 4.37Å; Q1329-Q1405 WeakPolarHBondContact CA-O 2.98Å; Q1329-Q1405 VanDerWaalsContact CB-CA 3.48Å; Q1329-Q1405 VanDerWaalsContact CG-O 3.25Å; Q1329-Q1405 WeakPolarHBondContact CG-O 3.39Å; Q1329-Q1405 VanDerWaalsContact NE2-C 3.33Å; Q1329-Q1405 PolarHBondContact NE2-O 2.92Å; Q1329-Q1405 VanDerWaalsContact NE2-OE1 3.11Å; Q1329-S1406 VanDerWaalsContact C-OG 3.29Å; Q1329-S1406 WeakPolarHBondContact CB-OG 3.42Å; Q1329-C1479 HydrophobicContact CG-CB 4.21Å; Q1329-C1479 WeakPolarHBondContact CG-O 3.44Å
1330	S	54.3	Low	56.2	Low	28.6 Å²	28.6	45.2 Å²	45.2	20%	0.2	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	127.5	179.3	40	0	0	0	0	113.1	G1195 Q1253 S1254 V1255 S1269 V1270 C1327 V1401 C1403 Q1405 S1406 V1407	G1195-S1330 VanDerWaalsContact C-OG 3.27Å; G1195-S1330 WeakPolarHBondContact CA-OG 3.1Å; G1195-S1330 PolarHBondContact N-OG 2.73Å; G1195-S1330 PolarHBondContact O-N 2.96Å; G1195-S1330 PolarHBondContact O-OG 3.15Å; Q1253-S1330 PolarHBondContact O-N 2.9Å; S1254-S1330 VanDerWaalsContact C-CB 3.48Å; S1254-S1330 WeakPolarHBondContact CA-O 3.29Å; S1254-S1330 WeakPolarHBondContact CB-OG 3.33Å; S1254-S1330 PolarHBondContact N-OG 3.01Å; S1254-S1330 WeakPolarHBondContact OG-CB 3.36Å; V1255-S1330 VanDerWaalsContact N-CB 3.31Å; V1255-S1330 PolarHBondContact N-O 2.93Å; S1269-S1330 CarbonylContact C-O 3.47Å; S1269-S1330 VanDerWaalsContact C-O 3.23Å; V1270-S1330 WeakPolarHBondContact CB-O 3.26Å; V1270-S1330 WeakPolarHBondContact CG2-O 3.27Å; V1270-S1330 PolarHBondContact N-O 3.17Å; V1270-S1330 PolarHBondContact O-N 2.77Å; C1327-S1330 WeakPolarHBondContact SG-CB 2.92Å; S1330-V1401 WeakPolarHBondContact OG-CG1 3.33Å; S1330-C1403 WeakPolarHBondContact OG-CB 3.46Å; S1330-C1403 PolarHBondContact OG-SG 3.17Å; S1330-C1403 VanDerWaalsContact OG-SG 3.33Å; S1330-Q1405 PolarHBondContact N-O 3.13Å; S1330-Q1405 PolarHBondContact OG-O 3.48Å; S1330-S1406 WeakPolarHBondContact CA-OG 3.14Å; S1330-S1406 PolarHBondContact N-OG 3.02Å; S1330-S1406 PolarHBondContact O-OG 3.15Å; S1330-V1407 PolarHBondContact O-N 2.8Å
1331	V	57.1	Low	54.7	Low	39.8 Å²	39.8	46.8 Å²	46.8	24%	0.241	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	128.5	159.9	175.9	0	0	0	0	109	T1191 N1193 V1194 S1254 V1255 Q1256 T1257 T1267 V1268 Q1329 T1333 S1406 V1407 Q1408	T1191-V1331 HydrophobicContact CG2-CB 4.5Å; T1191-V1331 HydrophobicContact CG2-CG1 4.31Å; T1191-V1331 HydrophobicContact CG2-CG2 3.89Å; N1193-V1331 VanDerWaalsContact O-CB 3.3Å; N1193-V1331 WeakPolarHBondContact O-CB 3.46Å; N1193-V1331 VanDerWaalsContact O-CG2 3.27Å; N1193-V1331 WeakPolarHBondContact O-CG2 3.39Å; N1193-V1331 PolarHBondContact O-N 2.92Å; V1194-V1331 WeakPolarHBondContact CG1-O 3.15Å; V1194-V1331 HydrophobicContact CG2-CB 3.78Å; V1194-V1331 VanDerWaalsContact CG2-O 3.24Å; V1194-V1331 WeakPolarHBondContact CG2-O 2.94Å; S1254-V1331 PolarHBondContact O-N 2.9Å; S1254-V1331 VanDerWaalsContact O-N 3.15Å; V1255-V1331 HydrophobicContact CB-CG2 3.95Å; V1255-V1331 HydrophobicContact CG2-CG2 3.68Å; V1255-V1331 WeakPolarHBondContact O-CA 3.47Å; Q1256-V1331 PolarHBondContact N-O 3.08Å; T1257-V1331 HydrophobicContact CG2-CG1 4.4Å; T1267-V1331 WeakPolarHBondContact O-CG2 3.11Å; V1268-V1331 VanDerWaalsContact C-CG2 3.41Å; V1268-V1331 WeakPolarHBondContact O-CG2 3.19Å; Q1329-V1331 PolarHBondContact O-N 2.77Å; V1331-T1333 WeakPolarHBondContact CG1-OG1 2.92Å; V1331-S1406 PolarHBondContact N-OG 2.89Å; V1331-V1407 HydrophobicContact CB-CB 4.39Å; V1331-V1407 HydrophobicContact CB-CG2 3.6Å; V1331-V1407 HydrophobicContact CG1-CG2 4.1Å; V1331-V1407 HydrophobicContact CG2-CG2 3.84Å; V1331-Q1408 HydrophobicContact CG1-CB 4.15Å; V1331-Q1408 HydrophobicContact CG1-CG 4.4Å; V1331-Q1408 PolarHBondContact O-N 3.34Å
1332	Q	50.8	Low	53.3	Low	37.6 Å²	37.6	48.7 Å²	48.7	18%	0.176	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	121.9	168.5	-159	-167.7	21.4	0	0	113	V1255 Q1256 T1257 M1290 I1334 T1365 M1366 V1401 V1407 Q1408 T1409	V1255-Q1332 HydrophobicContact CB-CB 4.49Å; V1255-Q1332 HydrophobicContact CG1-CB 4.25Å; V1255-Q1332 HydrophobicContact CG1-CG 4.37Å; V1255-Q1332 PolarHBondContact O-N 3.22Å; Q1256-Q1332 WeakPolarHBondContact CA-O 3.22Å; Q1256-Q1332 HydrophobicContact CB-CG 4.35Å; Q1256-Q1332 HydrophobicContact CG-CB 4.49Å; Q1256-Q1332 PolarHBondContact O-NE2 3.23Å; T1257-Q1332 HydrophobicContact CG2-CG 3.33Å; T1257-Q1332 PolarHBondContact N-O 2.92Å; T1257-Q1332 VanDerWaalsContact N-O 3.09Å; T1257-Q1332 WeakPolarHBondContact OG1-CG 2.97Å; M1290-Q1332 WeakPolarHBondContact CE-O 3.26Å; M1290-Q1332 HydrophobicContact SD-CG 4.28Å; M1290-Q1332 PolarHBondContact SD-NE2 2.75Å; Q1332-I1334 HydrophobicContact CG-CD1 4.41Å; Q1332-I1334 HydrophobicContact CG-CG1 4.23Å; Q1332-T1365 PolarHBondContact OE1-OG1 3.34Å; Q1332-M1366 HydrophobicContact CB-CB 4.02Å; Q1332-M1366 HydrophobicContact CB-CE 3.57Å; Q1332-M1366 HydrophobicContact CB-CG 4.44Å; Q1332-M1366 VanDerWaalsContact CD-N 3.34Å; Q1332-M1366 HydrophobicContact CG-CE 4.19Å; Q1332-M1366 VanDerWaalsContact NE2-C 3.34Å; Q1332-M1366 PolarHBondContact NE2-O 2.75Å; Q1332-V1401 HydrophobicContact CG-CB 4.45Å; Q1332-V1401 HydrophobicContact CG-CG1 4.46Å; Q1332-V1401 HydrophobicContact CG-CG2 3.76Å; Q1332-V1407 PolarHBondContact N-O 2.87Å; Q1332-Q1408 HydrophobicContact CB-CB 4.44Å; Q1332-Q1408 HydrophobicContact CB-CG 4.15Å; Q1332-Q1408 VanDerWaalsContact CD-CD 3.48Å; Q1332-Q1408 HydrophobicContact CG-CG 4.41Å; Q1332-T1409 PolarHBondContact O-N 2.73Å
1333	T	48.3	Very low	52	Low	43.4 Å²	43.4	49.4 Å²	49.4	27%	0.266	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	130.9	179.2	-50.5	0	0	0	0	112.6	Q1256 T1257 F1265 Q1300 V1331 R1367 Q1368	Q1256-T1333 PolarHBondContact O-N 3.37Å; T1257-T1333 WeakPolarHBondContact CA-O 3.49Å; T1257-T1333 WeakPolarHBondContact CB-O 3.14Å; T1257-T1333 WeakPolarHBondContact O-CA 3.25Å; T1257-T1333 VanDerWaalsContact OG1-C 3.25Å; T1257-T1333 PolarHBondContact OG1-N 2.69Å; T1257-T1333 PolarHBondContact OG1-O 2.66Å; F1265-T1333 HydrophobicContact CD1-CG2 4.36Å; Q1300-T1333 PolarHBondContact OE1-OG1 2.79Å; V1331-T1333 WeakPolarHBondContact CG1-OG1 2.92Å; T1333-R1367 CarbonylContact O-C 3.59Å; T1333-R1367 WeakPolarHBondContact O-CA 3.32Å; T1333-R1367 PolarHBondContact O-N 3.23Å; T1333-Q1368 HydrophobicContact CG2-CB 4.36Å; T1333-Q1368 HydrophobicContact CG2-CG 4.28Å; T1333-Q1368 VanDerWaalsContact CG2-OE1 3.24Å; T1333-Q1368 WeakPolarHBondContact O-CB 3.4Å; T1333-Q1368 PolarHBondContact O-N 2.95Å
1334	I	48	Very low	50.6	Low	51.2 Å²	51.2	51.2 Å²	51.2	26%	0.263	28%	0.277	S	S	.	.			trans	-117.3	127.9	165.3	-21.1	175.6	0	0	0	107.1	T1257 P1259 Q1332 E1336 M1366 R1367 I1410 P1411 M1442 Q1444 R1519 Q1520	T1257-I1334 HydrophobicContact CG2-CB 3.78Å; T1257-I1334 HydrophobicContact CG2-CD1 4.25Å; T1257-I1334 HydrophobicContact CG2-CG1 4.02Å; T1257-I1334 PolarHBondContact O-N 3.18Å; T1257-I1334 VanDerWaalsContact O-N 3.12Å; P1259-I1334 WeakPolarHBondContact CD-O 3.38Å; Q1332-I1334 HydrophobicContact CG-CD1 4.41Å; Q1332-I1334 HydrophobicContact CG-CG1 4.23Å; I1334-E1336 PolarHBondContact O-N 3.2Å; I1334-M1366 HydrophobicContact CG1-CB 4.49Å; I1334-M1366 HydrophobicContact CG1-CG 4.28Å; I1334-R1367 WeakPolarHBondContact CG2-O 3.49Å; I1334-I1410 VanDerWaalsContact CG1-C 3.47Å; I1334-I1410 WeakPolarHBondContact CG1-O 3.41Å; I1334-I1410 PolarHBondContact N-O 2.83Å; I1334-P1411 HydrophobicContact CB-CB 4.26Å; I1334-P1411 HydrophobicContact CB-CG 4.45Å; I1334-P1411 HydrophobicContact CD1-CG 4.07Å; I1334-P1411 HydrophobicContact CG1-CB 3.96Å; I1334-P1411 HydrophobicContact CG1-CG 4Å; I1334-P1411 HydrophobicContact CG2-CG 4.31Å; I1334-P1411 WeakPolarHBondContact O-CA 3.49Å; I1334-P1411 VanDerWaalsContact O-CB 3.26Å; I1334-P1411 WeakPolarHBondContact O-CB 3.2Å; I1334-P1411 VanDerWaalsContact O-CD 3.28Å; I1334-P1411 WeakPolarHBondContact O-CD 3.28Å; I1334-P1411 WeakPolarHBondContact O-CG 3.3Å; I1334-M1442 HydrophobicContact CD1-CE 4.02Å; I1334-M1442 HydrophobicContact CD1-CG 4.38Å; I1334-Q1444 HydrophobicContact CB-CG 4.19Å; I1334-Q1444 HydrophobicContact CG2-CB 4.32Å; I1334-Q1444 HydrophobicContact CG2-CG 3.68Å; I1334-R1519 HydrophobicContact CD1-CG 4.07Å; I1334-Q1520 HydrophobicContact CD1-CB 4.38Å
1335	P	46.8	Very low	49.2	Very low	38.2 Å²	38.2	53.5 Å²	53.5	25%	0.248	29%	0.288	C	S	.	.			trans	-102.8	157.4	165.2	37.7	-30.4	0	0	0	112.8	T1257 I1258 P1259 E1260 F1265 Q1368 P1411 Q1444	T1257-P1335 HydrophobicContact CG2-CB 4.32Å; T1257-P1335 HydrophobicContact CG2-CG 4.07Å; I1258-P1335 WeakPolarHBondContact O-CD 3.44Å; I1258-P1335 WeakPolarHBondContact O-CG 2.78Å; P1259-P1335 VanDerWaalsContact C-CG 3.46Å; P1259-P1335 HydrophobicContact CG-CB 4Å; P1259-P1335 WeakPolarHBondContact O-CG 3.4Å; E1260-P1335 HydrophobicContact CB-CB 4.35Å; E1260-P1335 HydrophobicContact CB-CG 4.01Å; F1265-P1335 HydrophobicContact CE1-CB 4.37Å; P1335-Q1368 HydrophobicContact CG-CG 4.47Å; P1335-P1411 VanDerWaalsContact C-CB 3.44Å; P1335-P1411 HydrophobicContact CG-CB 3.54Å; P1335-P1411 HydrophobicContact CG-CG 3.54Å; P1335-P1411 VanDerWaalsContact CG-O 3.24Å; P1335-P1411 WeakPolarHBondContact CG-O 3.38Å; P1335-P1411 WeakPolarHBondContact O-CB 3.29Å; P1335-P1411 WeakPolarHBondContact O-CG 3.33Å; P1335-Q1444 HydrophobicContact CG-CG 3.85Å; P1335-Q1444 PolarHBondContact O-NE2 2.96Å; P1335-Q1444 VanDerWaalsContact O-NE2 3.15Å
1336	E	41.3	Very low	47.9	Very low	63 Å²	63	54.8 Å²	54.8	29%	0.294	30%	0.296	S	S	.	.			trans	-119	151.9	150.7	-123.2	-168	124	0	0	111.6	P1259 E1260 E1261 R1262 F1265 I1334 R1338 P1411 E1412 R1414	P1259-E1336 PolarHBondContact O-N 3.26Å; E1260-E1336 WeakPolarHBondContact CG-O 3.1Å; E1261-E1336 PolarHBondContact N-O 3.19Å; R1262-E1336 IonicContact CZ-OE1 2.76Å; R1262-E1336 IonicContact NE-OE1 3.28Å; R1262-E1336 PolarHBondContact NE-OE1 2.95Å; R1262-E1336 IonicContact NH2-OE1 3.78Å; R1262-E1336 PolarHBondContact NH2-OE1 2.97Å; R1262-E1336 IonicContact NH2-OE2 3.99Å; R1262-E1336 PolarHBondContact NH2-OE2 3.36Å; F1265-E1336 HydrophobicContact CE1-CB 4.33Å; I1334-E1336 PolarHBondContact O-N 3.2Å; E1336-R1338 HydrophobicContact CB-CG 4.27Å; E1336-R1338 VanDerWaalsContact CD-NH2 3.29Å; E1336-R1338 HydrophobicContact CG-CG 4.16Å; E1336-R1338 WeakPolarHBondContact OE1-CD 3.34Å; E1336-R1338 IonicContact OE1-CZ 3.48Å; E1336-R1338 IonicContact OE1-NE 3.29Å; E1336-R1338 PolarHBondContact OE1-NE 2.87Å; E1336-R1338 IonicContact OE1-NH1 2.77Å; E1336-R1338 PolarHBondContact OE1-NH1 3.31Å; E1336-R1338 IonicContact OE1-NH2 3.17Å; E1336-R1338 PolarHBondContact OE1-NH2 3.27Å; E1336-R1338 IonicContact OE2-CZ 2.73Å; E1336-R1338 VanDerWaalsContact OE2-CZ 3.26Å; E1336-R1338 IonicContact OE2-NE 3.7Å; E1336-R1338 PolarHBondContact OE2-NE 3.36Å; E1336-R1338 IonicContact OE2-NH1 3.72Å; E1336-R1338 PolarHBondContact OE2-NH1 3.11Å; E1336-R1338 IonicContact OE2-NH2 3.31Å; E1336-R1338 PolarHBondContact OE2-NH2 2.93Å; E1336-P1411 HydrophobicContact CG-CB 4.45Å; E1336-E1412 WeakPolarHBondContact CA-O 3.33Å; E1336-E1412 HydrophobicContact CB-CG 3.92Å; E1336-E1412 WeakPolarHBondContact CB-O 3.31Å; E1336-E1412 VanDerWaalsContact CG-O 3.28Å; E1336-E1412 WeakPolarHBondContact CG-O 3.42Å; E1336-E1412 PolarHBondContact N-O 3.13Å; E1336-R1414 IonicContact OE1-CZ 3.15Å; E1336-R1414 IonicContact OE1-NE 2.73Å; E1336-R1414 PolarHBondContact OE1-NE 2.73Å; E1336-R1414 IonicContact OE1-NH1 3.12Å; E1336-R1414 PolarHBondContact OE1-NH1 2.97Å; E1336-R1414 IonicContact OE1-NH2 2.74Å; E1336-R1414 PolarHBondContact OE1-NH2 2.97Å
1337	E	38.8	Very low	46.8	Very low	63 Å²	63	54.1 Å²	54.1	29%	0.294	30%	0.302	S	S	.	.			trans	-112.6	137.7	176.2	-150.3	-172.2	174.5	0	0	110.7	F1265 N1296 F1341 N1372 E1412 P1464 N1524	F1265-E1337 WeakPolarHBondContact CZ-O 3.22Å; N1296-E1337 PolarHBondContact ND2-OE2 3.36Å; E1337-F1341 HydrophobicContact CB-CE1 4.14Å; E1337-F1341 VanDerWaalsContact O-CD1 3.26Å; E1337-F1341 WeakPolarHBondContact O-CD1 3.38Å; E1337-N1372 PolarHBondContact OE2-ND2 2.96Å; E1337-E1412 PolarHBondContact N-OE2 3.03Å; E1337-E1412 VanDerWaalsContact N-OE2 3.16Å; E1337-P1464 WeakPolarHBondContact OE1-CG 3.06Å; E1337-N1524 PolarHBondContact OE2-ND2 3.17Å
1338	R	42	Very low	46	Very low	77.2 Å²	77.2	56 Å²	56	29%	0.291	31%	0.31	S	S	.	.			trans	-125.1	116.9	176	-86.8	-170.7	-176.9	166.6	13.7	112.4	E1260 E1261 R1262 P1263 V1264 F1265 E1336 V1340 F1341 T1375 E1412 E1413	E1260-R1338 IonicContact OE1-CZ 3.13Å; E1260-R1338 IonicContact OE1-NE 3.44Å; E1260-R1338 PolarHBondContact OE1-NE 2.84Å; E1260-R1338 IonicContact OE1-NH2 2.77Å; E1260-R1338 PolarHBondContact OE1-NH2 3.46Å; E1260-R1338 IonicContact OE2-NH2 2.67Å; E1261-R1338 PolarHBondContact O-N 2.99Å; E1261-R1338 WeakPolarHBondContact OE1-CB 2.48Å; E1261-R1338 PolarHBondContact OE1-N 2.66Å; R1262-R1338 HydrophobicContact CG-CB 4.38Å; P1263-R1338 HydrophobicContact CB-CB 4.19Å; P1263-R1338 HydrophobicContact CB-CG 4.32Å; P1263-R1338 HydrophobicContact CG-CB 4.48Å; V1264-R1338 WeakPolarHBondContact O-CD 3.46Å; F1265-R1338 HydrophobicContact CD2-CB 4.35Å; F1265-R1338 HydrophobicContact CD2-CG 4.48Å; F1265-R1338 HydrophobicContact CE2-CB 3.99Å; F1265-R1338 VanDerWaalsContact CG-CZ 3.4Å; F1265-R1338 VanDerWaalsContact CZ-O 3.29Å; F1265-R1338 WeakPolarHBondContact CZ-O 2.9Å; E1336-R1338 HydrophobicContact CB-CG 4.27Å; E1336-R1338 VanDerWaalsContact CD-NH2 3.29Å; E1336-R1338 HydrophobicContact CG-CG 4.16Å; E1336-R1338 WeakPolarHBondContact OE1-CD 3.34Å; E1336-R1338 IonicContact OE1-CZ 3.48Å; E1336-R1338 IonicContact OE1-NE 3.29Å; E1336-R1338 PolarHBondContact OE1-NE 2.87Å; E1336-R1338 IonicContact OE1-NH1 2.77Å; E1336-R1338 PolarHBondContact OE1-NH1 3.31Å; E1336-R1338 IonicContact OE1-NH2 3.17Å; E1336-R1338 PolarHBondContact OE1-NH2 3.27Å; E1336-R1338 IonicContact OE2-CZ 2.73Å; E1336-R1338 VanDerWaalsContact OE2-CZ 3.26Å; E1336-R1338 IonicContact OE2-NE 3.7Å; E1336-R1338 PolarHBondContact OE2-NE 3.36Å; E1336-R1338 IonicContact OE2-NH1 3.72Å; E1336-R1338 PolarHBondContact OE2-NH1 3.11Å; E1336-R1338 IonicContact OE2-NH2 3.31Å; E1336-R1338 PolarHBondContact OE2-NH2 2.93Å; R1338-V1340 VanDerWaalsContact CG-N 3.29Å; R1338-V1340 WeakPolarHBondContact O-CG2 3.4Å; R1338-V1340 PolarHBondContact O-N 2.8Å; R1338-F1341 HydrophobicContact CG-CB 4.37Å; R1338-F1341 PolarHBondContact NH1-O 3.07Å; R1338-F1341 WeakPolarHBondContact O-CE1 3.29Å; R1338-T1375 HydrophobicContact CB-CG2 4.12Å; R1338-E1412 VanDerWaalsContact CG-OE1 3.25Å; R1338-E1412 WeakPolarHBondContact CG-OE1 3.47Å; R1338-E1413 VanDerWaalsContact NH1-C 3.3Å; R1338-E1413 PolarHBondContact NH1-O 2.79Å; R1338-E1413 PolarHBondContact NH2-O 3.25Å
1339	P	40.3	Very low	45.2	Very low	56 Å²	56	58.2 Å²	58.2	36%	0.364	32%	0.318	S	S	.	.			trans	-80	128.5	178.1	30.9	-35.2	0	0	0	114.1	P1263 F1265 F1341 T1375 P1415	P1263-P1339 HydrophobicContact CB-CB 3.95Å; P1263-P1339 HydrophobicContact CG-CB 3.91Å; F1265-P1339 VanDerWaalsContact CE1-C 3.4Å; F1265-P1339 VanDerWaalsContact CE1-CA 3.41Å; F1265-P1339 HydrophobicContact CE1-CB 4.16Å; F1265-P1339 VanDerWaalsContact CZ-CA 3.49Å; P1339-F1341 HydrophobicContact CB-CE2 3.94Å; P1339-F1341 HydrophobicContact CB-CZ 4.16Å; P1339-F1341 HydrophobicContact CG-CE2 4.36Å; P1339-F1341 WeakPolarHBondContact O-CD2 3.37Å; P1339-F1341 WeakPolarHBondContact O-CE2 3.49Å; P1339-F1341 PolarHBondContact O-N 2.83Å; P1339-T1375 VanDerWaalsContact C-CB 3.41Å; P1339-T1375 VanDerWaalsContact O-CB 3.3Å; P1339-T1375 WeakPolarHBondContact O-CB 3.48Å; P1339-P1415 HydrophobicContact CG-CB 4.23Å
1340	V	40.5	Very low	44.7	Very low	57.2 Å²	57.2	58.5 Å²	58.5	35%	0.347	32%	0.319	S	S	.	.			trans	-87.4	114	179.5	-165.8	0	0	0	0	112.7	P1263 V1264 F1265 E1295 R1338 H1342 N1372 T1375	P1263-V1340 PolarHBondContact O-N 3.03Å; V1264-V1340 HydrophobicContact CG2-CB 4.47Å; F1265-V1340 HydrophobicContact CB-CB 3.72Å; F1265-V1340 HydrophobicContact CB-CG1 4.39Å; F1265-V1340 HydrophobicContact CD1-CB 4.07Å; F1265-V1340 WeakPolarHBondContact CD1-O 3.47Å; F1265-V1340 HydrophobicContact CD2-CB 3.11Å; F1265-V1340 HydrophobicContact CD2-CG1 4.37Å; F1265-V1340 HydrophobicContact CD2-CG2 3.16Å; F1265-V1340 HydrophobicContact CE1-CB 4.36Å; F1265-V1340 VanDerWaalsContact CE1-O 3.23Å; F1265-V1340 WeakPolarHBondContact CE1-O 3.25Å; F1265-V1340 HydrophobicContact CE2-CB 3.53Å; F1265-V1340 HydrophobicContact CE2-CG2 3.16Å; F1265-V1340 VanDerWaalsContact CE2-N 3.31Å; F1265-V1340 VanDerWaalsContact CG-CA 3.44Å; F1265-V1340 HydrophobicContact CG-CB 3.39Å; F1265-V1340 HydrophobicContact CG-CG2 4.01Å; F1265-V1340 VanDerWaalsContact CG-O 3.29Å; F1265-V1340 WeakPolarHBondContact CG-O 3.36Å; F1265-V1340 HydrophobicContact CZ-CB 4.12Å; F1265-V1340 HydrophobicContact CZ-CG2 3.98Å; F1265-V1340 PolarHBondContact N-O 2.99Å; E1295-V1340 WeakPolarHBondContact OE1-CG1 2.9Å; R1338-V1340 VanDerWaalsContact CG-N 3.29Å; R1338-V1340 WeakPolarHBondContact O-CG2 3.4Å; R1338-V1340 PolarHBondContact O-N 2.8Å; V1340-H1342 WeakPolarHBondContact CG1-CE1 3.43Å; V1340-H1342 PolarHBondContact O-N 2.87Å; V1340-H1342 VanDerWaalsContact O-N 3.09Å; V1340-H1342 PolarHBondContact O-ND1 3.4Å; V1340-N1372 WeakPolarHBondContact CG1-ND2 3.49Å; V1340-T1375 HydrophobicContact CB-CG2 3.75Å; V1340-T1375 HydrophobicContact CG1-CG2 4.4Å; V1340-T1375 HydrophobicContact CG2-CG2 3.29Å; V1340-T1375 VanDerWaalsContact N-CB 3.31Å
1341	F	40.4	Very low	44.1	Very low	84.4 Å²	84.4	61.1 Å²	61.1	37%	0.37	33%	0.334	S	S	.	.			trans	-112.6	118.9	-177.5	-71.8	-92.1	0	0	0	110.6	V1264 F1265 Q1292 V1294 E1337 R1338 P1339 T1343 V1370 Q1376 T1377 R1414 V1416	V1264-F1341 WeakPolarHBondContact O-CD1 3.32Å; V1264-F1341 WeakPolarHBondContact O-CE1 3.27Å; F1265-F1341 VanDerWaalsContact CA-CA 3.46Å; F1265-F1341 HydrophobicContact CB-CD1 4.24Å; F1265-F1341 AromaticContact CD1-CD1 3.88Å; F1265-F1341 HydrophobicContact CD1-CD1 3.88Å; F1265-F1341 HydrophobicContact CD1-CE1 4.49Å; F1265-F1341 AromaticContact CD2-CD1 3.41Å; F1265-F1341 HydrophobicContact CD2-CD1 3.41Å; F1265-F1341 VanDerWaalsContact CD2-CD1 3.41Å; F1265-F1341 AromaticContact CD2-CE1 3.3Å; F1265-F1341 HydrophobicContact CD2-CE1 3.3Å; F1265-F1341 HydrophobicContact CD2-CG 4.35Å; F1265-F1341 HydrophobicContact CD2-CZ 4.16Å; F1265-F1341 HydrophobicContact CE2-CD1 4.09Å; F1265-F1341 AromaticContact CE2-CE1 3.47Å; F1265-F1341 HydrophobicContact CE2-CE1 3.47Å; F1265-F1341 VanDerWaalsContact CE2-CE1 3.47Å; F1265-F1341 HydrophobicContact CE2-CZ 4.05Å; F1265-F1341 AromaticContact CG-CD1 3.93Å; F1265-F1341 HydrophobicContact CG-CD1 3.93Å; F1265-F1341 HydrophobicContact CG-CE1 4.07Å; F1265-F1341 HydrophobicContact CZ-CE1 4.35Å; F1265-F1341 CarbonylContact O-C 2.88Å; F1265-F1341 VanDerWaalsContact O-CA 3.23Å; F1265-F1341 WeakPolarHBondContact O-CA 3.43Å; Q1292-F1341 VanDerWaalsContact CD-CD1 3.43Å; Q1292-F1341 HydrophobicContact CG-CD1 4.13Å; Q1292-F1341 HydrophobicContact CG-CE1 4.02Å; V1294-F1341 HydrophobicContact CB-CZ 4.35Å; V1294-F1341 HydrophobicContact CG2-CE1 3.76Å; V1294-F1341 HydrophobicContact CG2-CZ 3.61Å; E1337-F1341 HydrophobicContact CB-CE1 4.14Å; E1337-F1341 VanDerWaalsContact O-CD1 3.26Å; E1337-F1341 WeakPolarHBondContact O-CD1 3.38Å; R1338-F1341 HydrophobicContact CG-CB 4.37Å; R1338-F1341 PolarHBondContact NH1-O 3.07Å; R1338-F1341 WeakPolarHBondContact O-CE1 3.29Å; P1339-F1341 HydrophobicContact CB-CE2 3.94Å; P1339-F1341 HydrophobicContact CB-CZ 4.16Å; P1339-F1341 HydrophobicContact CG-CE2 4.36Å; P1339-F1341 WeakPolarHBondContact O-CD2 3.37Å; P1339-F1341 WeakPolarHBondContact O-CE2 3.49Å; P1339-F1341 PolarHBondContact O-N 2.83Å; F1341-T1343 PolarHBondContact O-N 3.29Å; F1341-T1343 VanDerWaalsContact O-N 3.17Å; F1341-V1370 HydrophobicContact CE2-CG2 3.57Å; F1341-V1370 HydrophobicContact CZ-CG2 3.65Å; F1341-Q1376 CarbonylContact C-O 3.03Å; F1341-Q1376 VanDerWaalsContact CB-C 3.48Å; F1341-Q1376 HydrophobicContact CB-CB 3.39Å; F1341-Q1376 HydrophobicContact CB-CG 3.48Å; F1341-Q1376 VanDerWaalsContact CB-CG 3.48Å; F1341-Q1376 HydrophobicContact CD2-CG 3.67Å; F1341-Q1376 HydrophobicContact CG-CB 4.31Å; F1341-Q1376 HydrophobicContact CG-CG 3.94Å; F1341-Q1376 CarbonylContact O-C 3.51Å; F1341-Q1376 WeakPolarHBondContact O-CA 3.37Å; F1341-Q1376 PolarHBondContact O-N 3.48Å; F1341-T1377 WeakPolarHBondContact CA-OG1 3.02Å; F1341-T1377 HydrophobicContact CB-CG2 4.49Å; F1341-T1377 WeakPolarHBondContact CB-OG1 3.24Å; F1341-T1377 VanDerWaalsContact CD2-CB 3.44Å; F1341-T1377 HydrophobicContact CD2-CG2 4.06Å; F1341-T1377 HydrophobicContact CG-CG2 4.39Å; F1341-T1377 WeakPolarHBondContact CG-OG1 3.1Å; F1341-R1414 HydrophobicContact CD1-CB 3.55Å; F1341-R1414 HydrophobicContact CD1-CG 3.89Å; F1341-R1414 HydrophobicContact CE1-CB 3.5Å; F1341-R1414 VanDerWaalsContact CE1-CB 3.5Å; F1341-R1414 HydrophobicContact CE1-CG 4.35Å; F1341-R1414 VanDerWaalsContact CE1-O 3.23Å; F1341-R1414 WeakPolarHBondContact CE1-O 3.42Å; F1341-R1414 HydrophobicContact CG-CB 4.27Å; F1341-R1414 HydrophobicContact CG-CG 4.35Å; F1341-R1414 HydrophobicContact CZ-CB 4.15Å; F1341-V1416 HydrophobicContact CE2-CB 4.14Å; F1341-V1416 HydrophobicContact CE2-CG1 4.05Å; F1341-V1416 HydrophobicContact CE2-CG2 3.91Å; F1341-V1416 HydrophobicContact CZ-CB 4.45Å; F1341-V1416 HydrophobicContact CZ-CG2 3.98Å
1342	H	42.4	Very low	43.5	Very low	83 Å²	83	62.9 Å²	62.9	38%	0.384	34%	0.339	S	S	.	.			trans	-116.4	138.8	172.2	-60	72.9	0	0	0	112.2	F1265 H1266 T1267 S1293 E1295 V1340 Q1368 V1370 N1372 Q1376 T1377 D1378 R1414 H1418	F1265-H1342 PolarHBondContact O-N 2.82Å; H1266-H1342 CarbonylContact C-O 3.58Å; H1266-H1342 WeakPolarHBondContact CA-O 3.23Å; H1266-H1342 HydrophobicContact CB-CB 3.96Å; H1266-H1342 VanDerWaalsContact CD2-CB 3.47Å; H1266-H1342 WeakPolarHBondContact CD2-CB 3.39Å; H1266-H1342 AromaticContact CD2-CG 3.68Å; H1266-H1342 AromaticContact CD2-ND1 3.46Å; H1266-H1342 PolarHBondContact CD2-ND1 3.29Å; H1266-H1342 AromaticContact NE2-CE1 3.84Å; H1266-H1342 AromaticContact NE2-CG 3.78Å; H1266-H1342 AromaticContact NE2-ND1 3.09Å; H1266-H1342 PolarHBondContact NE2-ND1 2.91Å; H1266-H1342 CarbonylContact O-C 3.52Å; H1266-H1342 WeakPolarHBondContact O-CA 3.4Å; H1266-H1342 PolarHBondContact O-N 2.8Å; T1267-H1342 HydrophobicContact CG2-CB 4.35Å; T1267-H1342 PolarHBondContact N-O 3.04Å; S1293-H1342 WeakPolarHBondContact OG-CB 3.21Å; E1295-H1342 HydrophobicContact CG-CB 4.31Å; E1295-H1342 VanDerWaalsContact OE1-CB 3.29Å; E1295-H1342 WeakPolarHBondContact OE1-CB 3.13Å; E1295-H1342 IonicContact OE1-CE1 3.18Å; E1295-H1342 IonicContact OE1-CG 4Å; E1295-H1342 VanDerWaalsContact OE1-CG 3.31Å; E1295-H1342 PolarHBondContact OE1-N 2.89Å; E1295-H1342 VanDerWaalsContact OE1-N 3.16Å; E1295-H1342 IonicContact OE1-ND1 2.76Å; E1295-H1342 PolarHBondContact OE1-ND1 3.45Å; E1295-H1342 VanDerWaalsContact OE2-CB 3.3Å; E1295-H1342 WeakPolarHBondContact OE2-CB 3.26Å; E1295-H1342 IonicContact OE2-CG 3.87Å; V1340-H1342 WeakPolarHBondContact CG1-CE1 3.43Å; V1340-H1342 PolarHBondContact O-N 2.87Å; V1340-H1342 VanDerWaalsContact O-N 3.09Å; V1340-H1342 PolarHBondContact O-ND1 3.4Å; H1342-Q1368 PolarHBondContact CD2-NE2 3.24Å; H1342-V1370 WeakPolarHBondContact CD2-CG2 3.04Å; H1342-V1370 VanDerWaalsContact NE2-CG1 3.34Å; H1342-V1370 WeakPolarHBondContact NE2-CG1 3.48Å; H1342-V1370 WeakPolarHBondContact NE2-CG2 2.79Å; H1342-N1372 PolarHBondContact CE1-ND2 2.73Å; H1342-N1372 PolarHBondContact CE1-OD1 3.04Å; H1342-N1372 PolarHBondContact ND1-ND2 2.79Å; H1342-Q1376 WeakPolarHBondContact CA-O 3.11Å; H1342-Q1376 PolarHBondContact N-O 3.01Å; H1342-T1377 VanDerWaalsContact C-CA 3.44Å; H1342-T1377 PolarHBondContact N-OG1 3.08Å; H1342-T1377 VanDerWaalsContact O-CA 3.23Å; H1342-T1377 WeakPolarHBondContact O-CA 3.01Å; H1342-T1377 WeakPolarHBondContact O-CB 3.19Å; H1342-T1377 WeakPolarHBondContact O-CG2 3.44Å; H1342-T1377 PolarHBondContact O-OG1 3.32Å; H1342-D1378 PolarHBondContact O-N 3.25Å; H1342-D1378 VanDerWaalsContact O-N 3.1Å; H1342-R1414 PolarHBondContact O-NH1 2.66Å; H1342-R1414 PolarHBondContact O-NH2 3.29Å; H1342-H1418 WeakPolarHBondContact CD2-CB 3.23Å; H1342-H1418 AromaticContact CD2-CG 3.93Å; H1342-H1418 AromaticContact CE1-CE1 3.73Å; H1342-H1418 AromaticContact CE1-NE2 3.26Å; H1342-H1418 PolarHBondContact CE1-NE2 3.43Å; H1342-H1418 VanDerWaalsContact CE1-NE2 3.26Å; H1342-H1418 AromaticContact ND1-CE1 3.45Å; H1342-H1418 PolarHBondContact ND1-CE1 2.92Å; H1342-H1418 AromaticContact ND1-NE2 2.95Å; H1342-H1418 PolarHBondContact ND1-NE2 3.48Å; H1342-H1418 WeakPolarHBondContact NE2-CB 3.38Å; H1342-H1418 AromaticContact NE2-CG 3.43Å; H1342-H1418 AromaticContact NE2-ND1 3.74Å; H1342-H1418 PolarHBondContact O-NE2 3.19Å
1343	T	41.1	Very low	43	Very low	63.2 Å²	63.2	68.1 Å²	68.1	39%	0.388	36%	0.362	S	S	.	.			trans	-137.7	114.1	167.3	-60.7	0	0	0	0	112.7	T1267 V1268 M1290 F1341 V1346 M1366 D1378 T1419	T1267-T1343 WeakPolarHBondContact CA-OG1 3.31Å; T1267-T1343 PolarHBondContact N-OG1 2.59Å; T1267-T1343 CarbonylContact O-C 3.49Å; T1267-T1343 WeakPolarHBondContact O-CA 3.39Å; T1267-T1343 WeakPolarHBondContact O-CB 3.42Å; T1267-T1343 WeakPolarHBondContact O-CG2 3.33Å; T1267-T1343 PolarHBondContact O-OG1 2.74Å; T1267-T1343 PolarHBondContact OG1-N 2.78Å; V1268-T1343 HydrophobicContact CB-CG2 3.86Å; V1268-T1343 HydrophobicContact CG2-CG2 3.48Å; V1268-T1343 VanDerWaalsContact CG2-CG2 3.48Å; M1290-T1343 HydrophobicContact CE-CG2 4.15Å; M1290-T1343 WeakPolarHBondContact CE-OG1 3.44Å; M1290-T1343 HydrophobicContact SD-CG2 3.7Å; F1341-T1343 PolarHBondContact O-N 3.29Å; F1341-T1343 VanDerWaalsContact O-N 3.17Å; T1343-V1346 HydrophobicContact CG2-CG2 3.75Å; T1343-M1366 HydrophobicContact CG2-CE 3.76Å; T1343-M1366 HydrophobicContact CG2-SD 3.98Å; T1343-M1366 WeakPolarHBondContact OG1-CE 3.37Å; T1343-D1378 WeakPolarHBondContact CB-O 2.95Å; T1343-D1378 HydrophobicContact CG2-CB 3.73Å; T1343-D1378 WeakPolarHBondContact CG2-O 3.35Å; T1343-D1378 PolarHBondContact OG1-O 3.42Å; T1343-T1419 WeakPolarHBondContact O-CA 3.5Å; T1343-T1419 WeakPolarHBondContact O-CB 3.47Å; T1343-T1419 PolarHBondContact O-OG1 2.8Å
1344	V	42.5	Very low	42.6	Very low	60.8 Å²	60.8	68.8 Å²	68.8	37%	0.368	37%	0.368	S	S	.	.			trans	-105.4	144.8	-173.9	-163.8	0	0	0	0	111.1	T1267 V1268 R1291 Q1292 S1293 V1346 M1366 Q1368 V1407 Q1408 T1409 E1412 V1420	T1267-V1344 HydrophobicContact CG2-CG2 3.86Å; T1267-V1344 VanDerWaalsContact O-CG2 3.32Å; T1267-V1344 WeakPolarHBondContact O-CG2 3.48Å; T1267-V1344 PolarHBondContact O-N 2.77Å; T1267-V1344 VanDerWaalsContact O-N 3.08Å; V1268-V1344 HydrophobicContact CG1-CB 4.24Å; V1268-V1344 HydrophobicContact CG1-CG2 4.45Å; V1268-V1344 HydrophobicContact CG2-CB 3.89Å; V1268-V1344 HydrophobicContact CG2-CG2 3.77Å; V1268-V1344 WeakPolarHBondContact O-CB 3.45Å; R1291-V1344 HydrophobicContact CB-CB 3.53Å; R1291-V1344 HydrophobicContact CB-CG1 3.53Å; R1291-V1344 HydrophobicContact CB-CG2 4.48Å; R1291-V1344 VanDerWaalsContact CD-C 3.41Å; R1291-V1344 WeakPolarHBondContact CD-O 3.48Å; R1291-V1344 PolarHBondContact NH1-O 3.36Å; Q1292-V1344 VanDerWaalsContact C-CG2 3.48Å; Q1292-V1344 VanDerWaalsContact N-CG1 3.29Å; S1293-V1344 WeakPolarHBondContact OG-CG2 3.16Å; V1344-V1346 HydrophobicContact CG1-CG2 4.07Å; V1344-M1366 HydrophobicContact CB-CE 4.14Å; V1344-M1366 HydrophobicContact CG1-CE 3.12Å; V1344-Q1368 HydrophobicContact CG1-CB 3.86Å; V1344-Q1368 HydrophobicContact CG1-CG 4.46Å; V1344-Q1368 VanDerWaalsContact CG2-OE1 3.25Å; V1344-V1407 WeakPolarHBondContact O-CG1 3.37Å; V1344-Q1408 WeakPolarHBondContact CB-O 3.41Å; V1344-Q1408 WeakPolarHBondContact CG1-O 3.19Å; V1344-T1409 HydrophobicContact CB-CG2 4.3Å; V1344-T1409 HydrophobicContact CG1-CG2 4.39Å; V1344-T1409 HydrophobicContact CG2-CG2 4.04Å; V1344-E1412 WeakPolarHBondContact CG2-OE2 3.25Å; V1344-V1420 CarbonylContact C-O 3.27Å; V1344-V1420 HydrophobicContact CG1-CB 3.94Å; V1344-V1420 HydrophobicContact CG1-CG1 3.84Å; V1344-V1420 WeakPolarHBondContact CG1-O 3.34Å
1345	N	40.6	Very low	42	Very low	87.2 Å²	87.2	70.4 Å²	70.4	47%	0.466	38%	0.382	S	S	.	.			trans	-131.1	129.1	-179.8	-80.4	-69.4	0	0	0	113.2	V1268 S1269 V1270 R1291 M1366 D1378 T1419 V1420 N1421 V1422	V1268-N1345 PolarHBondContact O-N 3.01Å; S1269-N1345 WeakPolarHBondContact CA-O 3.35Å; V1270-N1345 PolarHBondContact N-O 2.92Å; R1291-N1345 PolarHBondContact NH1-OD1 2.78Å; R1291-N1345 PolarHBondContact NH2-OD1 3.4Å; N1345-M1366 WeakPolarHBondContact O-CE 3.49Å; N1345-D1378 PolarHBondContact ND2-OD2 2.93Å; N1345-T1419 PolarHBondContact ND2-OG1 2.98Å; N1345-V1420 PolarHBondContact N-O 3.23Å; N1345-V1420 VanDerWaalsContact N-O 3.09Å; N1345-N1421 HydrophobicContact CB-CB 4.4Å; N1345-N1421 WeakPolarHBondContact CB-OD1 3.06Å; N1345-N1421 PolarHBondContact ND2-OD1 3.31Å; N1345-N1421 CarbonylContact O-C 3.21Å; N1345-N1421 WeakPolarHBondContact O-CA 3.22Å; N1345-N1421 WeakPolarHBondContact O-CB 3.47Å; N1345-V1422 PolarHBondContact O-N 3.48Å
1346	V	42.3	Very low	41.5	Very low	57.4 Å²	57.4	71.6 Å²	71.6	35%	0.348	39%	0.391	S	S	.	.			trans	-129.8	110.1	-179.9	-179	0	0	0	0	111.2	V1270 T1289 M1290 R1291 T1343 V1344 M1366 V1407 Q1408 N1421 V1422 C1479 S1482	V1270-V1346 HydrophobicContact CB-CG2 4.46Å; T1289-V1346 VanDerWaalsContact CG2-C 3.41Å; T1289-V1346 HydrophobicContact CG2-CB 3.54Å; T1289-V1346 HydrophobicContact CG2-CG1 3.89Å; T1289-V1346 WeakPolarHBondContact CG2-O 3.28Å; M1290-V1346 HydrophobicContact CB-CG1 4.45Å; M1290-V1346 HydrophobicContact CB-CG2 4.11Å; M1290-V1346 HydrophobicContact SD-CG2 3.9Å; R1291-V1346 HydrophobicContact CB-CB 4.5Å; R1291-V1346 HydrophobicContact CB-CG2 3.53Å; R1291-V1346 HydrophobicContact CG-CB 3.81Å; R1291-V1346 HydrophobicContact CG-CG2 3.34Å; T1343-V1346 HydrophobicContact CG2-CG2 3.75Å; V1344-V1346 HydrophobicContact CG1-CG2 4.07Å; V1346-M1366 HydrophobicContact CB-CB 4.07Å; V1346-M1366 HydrophobicContact CG1-CB 3.59Å; V1346-M1366 VanDerWaalsContact CG1-N 3.26Å; V1346-M1366 HydrophobicContact CG2-CB 3.78Å; V1346-M1366 HydrophobicContact CG2-CE 3.47Å; V1346-M1366 VanDerWaalsContact CG2-CE 3.47Å; V1346-M1366 HydrophobicContact CG2-CG 4.16Å; V1346-M1366 HydrophobicContact CG2-SD 3.87Å; V1346-V1407 VanDerWaalsContact CB-C 3.42Å; V1346-V1407 VanDerWaalsContact CG1-O 3.25Å; V1346-V1407 WeakPolarHBondContact CG1-O 3.31Å; V1346-Q1408 HydrophobicContact CB-CB 4.02Å; V1346-Q1408 HydrophobicContact CG1-CB 4.18Å; V1346-Q1408 HydrophobicContact CG2-CB 3.55Å; V1346-N1421 HydrophobicContact CG2-CB 4.43Å; V1346-N1421 WeakPolarHBondContact CG2-OD1 3.29Å; V1346-V1422 CarbonylContact C-O 3.38Å; V1346-V1422 WeakPolarHBondContact CA-O 3.05Å; V1346-V1422 HydrophobicContact CB-CB 4.46Å; V1346-V1422 HydrophobicContact CG1-CB 4.26Å; V1346-V1422 HydrophobicContact CG1-CG1 4Å; V1346-C1479 HydrophobicContact CG1-CB 3.7Å; V1346-S1482 WeakPolarHBondContact CA-OG 2.98Å; V1346-S1482 WeakPolarHBondContact CG1-OG 3.47Å
1347	G	43.2	Very low	41.5	Very low	35.2 Å²	35.2	71.3 Å²	71.3	36%	0.363	39%	0.392	S	S	.	.			trans	-125.2	157.8	-179.4	0	0	0	0	0	114	V1270 A1288 A1364 V1422 G1423 L1424 S1482	V1270-G1347 PolarHBondContact O-N 2.97Å; A1288-G1347 VanDerWaalsContact CB-O 3.27Å; A1288-G1347 WeakPolarHBondContact CB-O 3.34Å; G1347-A1364 WeakPolarHBondContact O-CB 3.22Å; G1347-V1422 PolarHBondContact N-O 2.8Å; G1347-G1423 CarbonylContact O-C 3.55Å; G1347-G1423 WeakPolarHBondContact O-CA 3.22Å; G1347-L1424 PolarHBondContact O-N 2.75Å; G1347-L1424 VanDerWaalsContact O-N 3.15Å; G1347-S1482 PolarHBondContact N-OG 2.88Å
1348	L	47.6	Very low	41.4	Very low	63.6 Å²	63.6	72 Å²	72	33%	0.333	40%	0.4	S	S	.	.			trans	-142.1	131.5	-177.6	-174.9	136.5	0	0	0	111.3	G1271 V1272 D1273 V1286 T1289 H1350 L1362 A1364 Q1405 S1406 A1480	G1271-L1348 PolarHBondContact O-N 3.1Å; V1272-L1348 HydrophobicContact CB-CD1 4.27Å; V1272-L1348 HydrophobicContact CB-CD2 3.63Å; V1272-L1348 HydrophobicContact CG1-CD1 3.64Å; V1272-L1348 HydrophobicContact CG1-CD2 3.23Å; V1272-L1348 HydrophobicContact CG2-CD2 3.75Å; D1273-L1348 PolarHBondContact N-O 3.37Å; V1286-L1348 HydrophobicContact CB-CD1 4.25Å; V1286-L1348 HydrophobicContact CB-CD2 4.46Å; V1286-L1348 HydrophobicContact CG1-CD1 3.84Å; V1286-L1348 HydrophobicContact CG1-CD2 3.88Å; V1286-L1348 HydrophobicContact CG1-CG 3.88Å; T1289-L1348 WeakPolarHBondContact OG1-CB 3.27Å; L1348-H1350 HydrophobicContact CD2-CB 4.18Å; L1348-L1362 HydrophobicContact CD1-CB 4.15Å; L1348-L1362 HydrophobicContact CD2-CB 4.37Å; L1348-L1362 HydrophobicContact CD2-CD1 4.14Å; L1348-A1364 HydrophobicContact CB-CB 3.71Å; L1348-A1364 HydrophobicContact CD1-CB 3.83Å; L1348-A1364 HydrophobicContact CG-CB 4.39Å; L1348-Q1405 HydrophobicContact CB-CG 4.5Å; L1348-Q1405 HydrophobicContact CD2-CG 4.06Å; L1348-Q1405 PolarHBondContact O-NE2 2.79Å; L1348-S1406 WeakPolarHBondContact CB-OG 3.44Å; L1348-A1480 HydrophobicContact CB-CB 3.88Å; L1348-A1480 HydrophobicContact CD1-CB 3.74Å; L1348-A1480 HydrophobicContact CG-CB 3.71Å
1349	D	43.1	Very low	41.5	Very low	75 Å²	75	70.3 Å²	70.3	40%	0.401	41%	0.406	S	S	.	.			trans	-112.3	134.8	-173.5	-98.2	-48.9	0	0	0	111.6	K1201 V1272 L1274 T1351 L1362 L1424 H1426 T1427	K1201-D1349 IonicContact NZ-OD1 3.44Å; K1201-D1349 PolarHBondContact NZ-OD1 3.13Å; K1201-D1349 IonicContact NZ-OD2 3.47Å; K1201-D1349 PolarHBondContact NZ-OD2 2.64Å; V1272-D1349 PolarHBondContact O-N 2.82Å; L1274-D1349 PolarHBondContact N-O 2.94Å; D1349-T1351 PolarHBondContact OD1-OG1 3.12Å; D1349-L1362 VanDerWaalsContact O-CD1 3.23Å; D1349-L1362 WeakPolarHBondContact O-CD1 3.2Å; D1349-L1424 PolarHBondContact N-O 2.77Å; D1349-H1426 PolarHBondContact O-N 2.75Å; D1349-T1427 WeakPolarHBondContact O-CG2 3.36Å
1350	H	46.5	Very low	41.7	Very low	64.4 Å²	64.4	71.5 Å²	71.5	30%	0.298	41%	0.406	S	S	.	.			trans	-142	116.4	169.3	-150.8	-58.4	0	0	0	112.9	K1201 K1209 D1273 L1274 T1275 Y1283 V1286 L1348 E1352 L1362 H1426	K1201-H1350 PolarHBondContact NZ-O 2.78Å; K1209-H1350 PolarHBondContact NZ-O 2.58Å; D1273-H1350 PolarHBondContact O-CD2 2.88Å; L1274-H1350 HydrophobicContact CD2-CB 3.36Å; T1275-H1350 HydrophobicContact CG2-CB 4.36Å; T1275-H1350 WeakPolarHBondContact CG2-O 3.44Å; T1275-H1350 PolarHBondContact N-CE1 3.27Å; T1275-H1350 PolarHBondContact N-ND1 3.23Å; T1275-H1350 VanDerWaalsContact N-ND1 3.13Å; T1275-H1350 PolarHBondContact O-CE1 3.06Å; T1275-H1350 PolarHBondContact O-ND1 3.08Å; T1275-H1350 PolarHBondContact OG1-O 2.78Å; Y1283-H1350 AromaticContact CD1-NE2 3.56Å; Y1283-H1350 AromaticContact CD2-NE2 3.82Å; Y1283-H1350 AromaticContact CE1-CE1 3.64Å; Y1283-H1350 AromaticContact CE1-NE2 3.16Å; Y1283-H1350 WeakPolarHBondContact CE1-NE2 3.3Å; Y1283-H1350 AromaticContact CE2-CD2 3.89Å; Y1283-H1350 AromaticContact CE2-NE2 3.47Å; Y1283-H1350 WeakPolarHBondContact CE2-NE2 3.23Å; Y1283-H1350 AromaticContact CG-NE2 3.85Å; Y1283-H1350 AromaticContact CZ-CD2 3.93Å; Y1283-H1350 AromaticContact CZ-CE1 3.55Å; Y1283-H1350 AromaticContact CZ-NE2 3.08Å; Y1283-H1350 PolarHBondContact OH-CE1 3.26Å; Y1283-H1350 PolarHBondContact OH-NE2 2.64Å; V1286-H1350 HydrophobicContact CG1-CB 4.4Å; V1286-H1350 HydrophobicContact CG2-CB 4.35Å; L1348-H1350 HydrophobicContact CD2-CB 4.18Å; H1350-E1352 IonicContact CE1-OE2 2.86Å; H1350-L1362 HydrophobicContact CB-CD1 3.8Å; H1350-L1362 VanDerWaalsContact CB-CD1 3.41Å; H1350-L1362 HydrophobicContact CB-CG 4.25Å; H1350-L1362 WeakPolarHBondContact ND1-CD1 3.34Å; H1350-H1426 AromaticContact CD2-CE1 3.95Å; H1350-H1426 AromaticContact CD2-ND1 3.28Å; H1350-H1426 PolarHBondContact CD2-ND1 2.81Å; H1350-H1426 VanDerWaalsContact CD2-ND1 3.28Å; H1350-H1426 PolarHBondContact CD2-O 3.17Å; H1350-H1426 AromaticContact CE1-CE1 3.78Å; H1350-H1426 AromaticContact CE1-CG 3.88Å; H1350-H1426 AromaticContact CE1-ND1 3.46Å; H1350-H1426 PolarHBondContact CE1-ND1 3.12Å; H1350-H1426 AromaticContact ND1-CE1 3.96Å; H1350-H1426 AromaticContact ND1-CG 3.48Å; H1350-H1426 AromaticContact ND1-ND1 3.18Å; H1350-H1426 PolarHBondContact ND1-ND1 3.3Å; H1350-H1426 VanDerWaalsContact ND1-ND1 3.18Å; H1350-H1426 AromaticContact NE2-CE1 3.23Å; H1350-H1426 PolarHBondContact NE2-CE1 3.23Å; H1350-H1426 AromaticContact NE2-ND1 3.06Å; H1350-H1426 PolarHBondContact NE2-ND1 3.48Å
1351	T	43.5	Very low	42.1	Very low	81.6 Å²	81.6	74.3 Å²	74.3	50%	0.501	41%	0.413	S	S	.	.			trans	-128.1	124.2	168.5	-36.3	0	0	0	0	112.6	K1201 L1274 D1349 H1426	K1201-T1351 PolarHBondContact NZ-OG1 3.48Å; L1274-T1351 PolarHBondContact O-N 2.84Å; D1349-T1351 PolarHBondContact OD1-OG1 3.12Å; T1351-H1426 PolarHBondContact N-O 3.37Å; T1351-H1426 VanDerWaalsContact N-O 3.07Å; T1351-H1426 PolarHBondContact O-ND1 3.43Å
1352	E	43	Very low	42.4	Very low	77.8 Å²	77.8	73.7 Å²	73.7	36%	0.364	41%	0.414	S	S	.	.			trans	-106.2	141.7	171.5	-172.3	178.2	171.6	0	0	111.5	T1275 G1276 K1277 L1278 V1281 Y1283 H1350 S1354 P1355 L1357	T1275-E1352 VanDerWaalsContact O-CB 3.27Å; T1275-E1352 WeakPolarHBondContact O-CB 3.37Å; T1275-E1352 PolarHBondContact O-N 2.69Å; G1276-E1352 CarbonylContact C-O 3.56Å; G1276-E1352 WeakPolarHBondContact CA-O 3.41Å; K1277-E1352 PolarHBondContact N-O 2.73Å; K1277-E1352 VanDerWaalsContact N-O 3.16Å; L1278-E1352 VanDerWaalsContact CD2-OE1 3.32Å; L1278-E1352 WeakPolarHBondContact CD2-OE1 3.34Å; V1281-E1352 VanDerWaalsContact CG1-OE1 3.31Å; V1281-E1352 WeakPolarHBondContact CG1-OE1 3.31Å; V1281-E1352 WeakPolarHBondContact CG2-OE1 3.2Å; Y1283-E1352 HydrophobicContact CE2-CB 4.24Å; Y1283-E1352 HydrophobicContact CE2-CG 4.44Å; Y1283-E1352 VanDerWaalsContact CE2-OE2 3.32Å; Y1283-E1352 WeakPolarHBondContact CE2-OE2 3.17Å; Y1283-E1352 WeakPolarHBondContact OH-CB 2.85Å; Y1283-E1352 VanDerWaalsContact OH-CD 3.31Å; Y1283-E1352 WeakPolarHBondContact OH-CG 2.96Å; Y1283-E1352 PolarHBondContact OH-OE2 2.63Å; H1350-E1352 IonicContact CE1-OE2 2.86Å; E1352-S1354 WeakPolarHBondContact CG-O 3.21Å; E1352-P1355 WeakPolarHBondContact OE1-CA 3.45Å; E1352-L1357 HydrophobicContact CG-CD1 3.84Å; E1352-L1357 VanDerWaalsContact OE1-CD1 3.32Å; E1352-L1357 WeakPolarHBondContact OE1-CD1 3.35Å; E1352-L1357 WeakPolarHBondContact OE1-CD2 3.38Å; E1352-L1357 WeakPolarHBondContact OE1-CG 3.39Å; E1352-L1357 WeakPolarHBondContact OE2-CD1 3.15Å; E1352-L1357 VanDerWaalsContact OE2-CG 3.24Å; E1352-L1357 WeakPolarHBondContact OE2-CG 3.47Å
1353	K	40.5	Very low	42.6	Very low	147.4 Å²	147.4	74.1 Å²	74.1	64%	0.641	42%	0.416	S	S	*	.			trans	-129.2	48.9	173.4	-68.5	171.8	-176.8	171.7	0	113.2
1354	S	39.5	Very low	42.8	Very low	58 Å²	58	72.9 Å²	72.9	41%	0.406	41%	0.412	S	S	.	.			trans	-135.5	142.4	-178.4	-70	0	0	0	0	111.9	L1278 E1352 S1356 K1429 S1430 P1431	L1278-S1354 WeakPolarHBondContact O-CB 3.45Å; E1352-S1354 WeakPolarHBondContact CG-O 3.21Å; S1354-S1356 PolarHBondContact O-N 3.12Å; S1354-K1429 PolarHBondContact OG-O 3.2Å; S1354-S1430 WeakPolarHBondContact CB-O 3Å; S1354-S1430 PolarHBondContact OG-O 2.78Å; S1354-P1431 VanDerWaalsContact CB-CA 3.47Å
1355	P	36.4	Very low	42.9	Very low	84.2 Å²	84.2	72.7 Å²	72.7	55%	0.547	41%	0.411	S	S	.	.			trans	-103.2	118.7	-178.6	35.5	-31.9	0	0	0	115.8	K1277 Q1279 V1281 E1352	K1277-P1355 WeakPolarHBondContact O-CG 3.47Å; Q1279-P1355 HydrophobicContact CB-CB 4.26Å; Q1279-P1355 HydrophobicContact CB-CG 4.43Å; Q1279-P1355 HydrophobicContact CG-CB 4.4Å; Q1279-P1355 HydrophobicContact CG-CG 4.09Å; V1281-P1355 HydrophobicContact CG2-CB 3.57Å; E1352-P1355 WeakPolarHBondContact OE1-CA 3.45Å
1356	S	35.8	Very low	43.1	Very low	64.8 Å²	64.8	71.8 Å²	71.8	45%	0.453	41%	0.405	S	S	.	.			trans	-117.7	106.1	169.4	45	0	0	0	0	114.2	S1354 P1431 S1432	S1354-S1356 PolarHBondContact O-N 3.12Å; S1356-P1431 VanDerWaalsContact OG-C 3.29Å; S1356-P1431 PolarHBondContact OG-O 2.66Å; S1356-S1432 WeakPolarHBondContact O-CB 3.18Å
1357	L	41.9	Very low	43.1	Very low	56.8 Å²	56.8	75.8 Å²	75.8	30%	0.297	41%	0.414	S	S	.	.			trans	-150.1	119	147.2	-82.7	174.7	0	0	0	113.9	V1281 L1282 Y1283 E1352 K1360 E1428 S1432 L1433	V1281-L1357 CarbonylContact C-O 3.51Å; V1281-L1357 WeakPolarHBondContact CA-O 3.31Å; V1281-L1357 HydrophobicContact CG1-CB 4.14Å; V1281-L1357 WeakPolarHBondContact CG1-O 3.4Å; V1281-L1357 WeakPolarHBondContact O-CD2 3.28Å; L1282-L1357 PolarHBondContact N-O 2.61Å; Y1283-L1357 HydrophobicContact CE1-CB 4.05Å; Y1283-L1357 HydrophobicContact CE1-CD1 3.39Å; Y1283-L1357 HydrophobicContact CE1-CD2 3.94Å; Y1283-L1357 HydrophobicContact CE1-CG 4.42Å; Y1283-L1357 HydrophobicContact CE2-CB 4.12Å; Y1283-L1357 VanDerWaalsContact OH-CB 3.27Å; Y1283-L1357 WeakPolarHBondContact OH-CB 3.36Å; Y1283-L1357 VanDerWaalsContact OH-CD1 3.24Å; Y1283-L1357 WeakPolarHBondContact OH-CD1 3.48Å; Y1283-L1357 WeakPolarHBondContact OH-CD2 3.33Å; Y1283-L1357 WeakPolarHBondContact OH-CG 3.3Å; E1352-L1357 HydrophobicContact CG-CD1 3.84Å; E1352-L1357 VanDerWaalsContact OE1-CD1 3.32Å; E1352-L1357 WeakPolarHBondContact OE1-CD1 3.35Å; E1352-L1357 WeakPolarHBondContact OE1-CD2 3.38Å; E1352-L1357 WeakPolarHBondContact OE1-CG 3.39Å; E1352-L1357 WeakPolarHBondContact OE2-CD1 3.15Å; E1352-L1357 VanDerWaalsContact OE2-CG 3.24Å; E1352-L1357 WeakPolarHBondContact OE2-CG 3.47Å; L1357-K1360 HydrophobicContact CB-CD 4.13Å; L1357-K1360 HydrophobicContact CD1-CD 4.26Å; L1357-K1360 HydrophobicContact CD2-CD 4.08Å; L1357-K1360 VanDerWaalsContact CD2-CE 3.49Å; L1357-K1360 HydrophobicContact CD2-CG 4.49Å; L1357-E1428 WeakPolarHBondContact CD1-OE2 3.07Å; L1357-E1428 WeakPolarHBondContact CD2-OE1 3.21Å; L1357-E1428 WeakPolarHBondContact CD2-OE2 3.2Å; L1357-E1428 WeakPolarHBondContact CG-OE1 3.32Å; L1357-S1432 VanDerWaalsContact CD2-CA 3.47Å; L1357-S1432 VanDerWaalsContact CG-CA 3.42Å; L1357-L1433 HydrophobicContact CD2-CB 3.68Å; L1357-L1433 HydrophobicContact CD2-CD1 4.45Å; L1357-L1433 VanDerWaalsContact CD2-O 3.29Å; L1357-L1433 WeakPolarHBondContact CD2-O 3.33Å
1358	V	36.7	Very low	43.1	Very low	76.6 Å²	76.6	77.1 Å²	77.1	46%	0.464	41%	0.41	S	S	.	.			trans	-111.4	129.4	172.5	-167.7	0	0	0	0	114.1	L1282 K1360 L1433 V1434 G1435	L1282-V1358 HydrophobicContact CB-CB 4.1Å; L1282-V1358 HydrophobicContact CB-CG1 3.83Å; L1282-V1358 HydrophobicContact CB-CG2 4.34Å; L1282-V1358 HydrophobicContact CD2-CG1 4.11Å; L1282-V1358 CarbonylContact O-C 3.58Å; V1358-K1360 HydrophobicContact CB-CG 4.34Å; V1358-K1360 HydrophobicContact CG1-CD 4.36Å; V1358-K1360 HydrophobicContact CG1-CG 3.89Å; V1358-K1360 WeakPolarHBondContact O-CG 3.47Å; V1358-K1360 PolarHBondContact O-N 3.06Å; V1358-L1433 PolarHBondContact N-O 3.19Å; V1358-V1434 HydrophobicContact CB-CG1 4.19Å; V1358-V1434 HydrophobicContact CB-CG2 4.25Å; V1358-V1434 HydrophobicContact CG1-CG1 4.29Å; V1358-V1434 CarbonylContact O-C 3.52Å; V1358-V1434 WeakPolarHBondContact O-CA 2.71Å; V1358-V1434 WeakPolarHBondContact O-CG1 2.97Å; V1358-G1435 PolarHBondContact O-N 2.67Å
1359	G	43	Very low	42.8	Very low	41 Å²	41	76.7 Å²	76.7	42%	0.423	41%	0.412	S	S	.	.			trans	104.9	49.3	161	0	0	0	0	0	116.3	L1282 K1361 G1435 K1436	L1282-G1359 PolarHBondContact O-N 2.93Å; G1359-K1361 WeakPolarHBondContact O-CE 3.35Å; G1359-K1361 PolarHBondContact O-N 2.9Å; G1359-K1361 VanDerWaalsContact O-N 3.15Å; G1359-K1361 PolarHBondContact O-NZ 3.05Å; G1359-G1435 CarbonylContact O-C 2.94Å; G1359-G1435 WeakPolarHBondContact O-CA 3.28Å; G1359-G1435 PolarHBondContact O-N 2.97Å; G1359-K1436 PolarHBondContact O-N 2.59Å
1360	K	45.3	Very low	42.8	Very low	81.8 Å²	81.8	75.7 Å²	75.7	36%	0.356	41%	0.409	S	S	.	.			trans	-91.8	139.4	-177.7	-61.6	-171.8	178.2	178.8	0	113.9	V1281 L1282 Y1283 E1284 L1357 V1358 L1362 H1426 E1428 L1433 K1436	V1281-K1360 PolarHBondContact O-NZ 2.96Å; L1282-K1360 PolarHBondContact O-N 3.36Å; Y1283-K1360 HydrophobicContact CD1-CB 3.96Å; Y1283-K1360 HydrophobicContact CE1-CB 4.07Å; Y1283-K1360 HydrophobicContact CE1-CD 4.4Å; Y1283-K1360 HydrophobicContact CE1-CG 4.48Å; Y1283-K1360 WeakPolarHBondContact O-CD 3.47Å; Y1283-K1360 WeakPolarHBondContact O-CE 3.31Å; Y1283-K1360 WeakPolarHBondContact O-CG 3.36Å; Y1283-K1360 PolarHBondContact O-NZ 2.77Å; E1284-K1360 PolarHBondContact N-O 3.47Å; L1357-K1360 HydrophobicContact CB-CD 4.13Å; L1357-K1360 HydrophobicContact CD1-CD 4.26Å; L1357-K1360 HydrophobicContact CD2-CD 4.08Å; L1357-K1360 VanDerWaalsContact CD2-CE 3.49Å; L1357-K1360 HydrophobicContact CD2-CG 4.49Å; V1358-K1360 HydrophobicContact CB-CG 4.34Å; V1358-K1360 HydrophobicContact CG1-CD 4.36Å; V1358-K1360 HydrophobicContact CG1-CG 3.89Å; V1358-K1360 WeakPolarHBondContact O-CG 3.47Å; V1358-K1360 PolarHBondContact O-N 3.06Å; K1360-L1362 PolarHBondContact O-N 2.91Å; K1360-H1426 VanDerWaalsContact CD-NE2 3.34Å; K1360-H1426 WeakPolarHBondContact CD-NE2 3.37Å; K1360-H1426 PolarHBondContact NZ-CE1 3.46Å; K1360-H1426 PolarHBondContact NZ-NE2 2.97Å; K1360-E1428 WeakPolarHBondContact CE-OE2 3.37Å; K1360-E1428 IonicContact NZ-OE1 2.85Å; K1360-E1428 PolarHBondContact NZ-OE1 3.38Å; K1360-E1428 IonicContact NZ-OE2 3.16Å; K1360-E1428 PolarHBondContact NZ-OE2 3.13Å; K1360-L1433 WeakPolarHBondContact CE-O 3.44Å; K1360-L1433 VanDerWaalsContact NZ-CD1 3.27Å; K1360-K1436 VanDerWaalsContact CA-O 3.31Å; K1360-K1436 WeakPolarHBondContact CA-O 2.73Å; K1360-K1436 HydrophobicContact CB-CB 4.35Å; K1360-K1436 HydrophobicContact CD-CB 4.26Å; K1360-K1436 HydrophobicContact CD-CD 4.46Å; K1360-K1436 HydrophobicContact CG-CB 4.12Å
1361	K	47.8	Very low	42.4	Very low	116 Å²	116	76.6 Å²	76.6	50%	0.504	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	125.6	164.6	-126.2	160.8	-172.8	172.2	0	111.3	E1284 N1285 V1286 G1359 Q1363 K1436 K1437 L1438	E1284-K1361 WeakPolarHBondContact OE2-CE 2.8Å; E1284-K1361 IonicContact OE2-NZ 2.72Å; E1284-K1361 PolarHBondContact OE2-NZ 2.81Å; N1285-K1361 WeakPolarHBondContact CA-O 3.31Å; N1285-K1361 HydrophobicContact CB-CB 4.38Å; N1285-K1361 HydrophobicContact CB-CD 3.84Å; N1285-K1361 HydrophobicContact CB-CG 4.17Å; N1285-K1361 WeakPolarHBondContact O-CA 2.25Å; N1285-K1361 WeakPolarHBondContact OD1-CB 3.26Å; V1286-K1361 PolarHBondContact N-O 2.81Å; V1286-K1361 VanDerWaalsContact N-O 3.1Å; G1359-K1361 WeakPolarHBondContact O-CE 3.35Å; G1359-K1361 PolarHBondContact O-N 2.9Å; G1359-K1361 VanDerWaalsContact O-N 3.15Å; G1359-K1361 PolarHBondContact O-NZ 3.05Å; K1361-Q1363 HydrophobicContact CD-CB 4.45Å; K1361-Q1363 VanDerWaalsContact CE-OE1 3.3Å; K1361-K1436 CarbonylContact C-O 3.38Å; K1361-K1436 PolarHBondContact N-O 2.98Å; K1361-K1436 VanDerWaalsContact N-O 3.1Å; K1361-K1436 VanDerWaalsContact O-O 3.06Å; K1361-K1437 HydrophobicContact CB-CG 4.29Å; K1361-K1437 HydrophobicContact CG-CG 4.32Å; K1361-K1437 CarbonylContact O-C 3.29Å; K1361-K1437 WeakPolarHBondContact O-CA 2.72Å; K1361-L1438 PolarHBondContact O-N 3.05Å
1362	L	48.4	Very low	42.1	Very low	72.4 Å²	72.4	75.5 Å²	75.5	38%	0.379	41%	0.405	S	S	.	.			trans	-106.1	139.6	170.5	-61.7	175.1	0	0	0	109.7	N1285 V1286 L1348 D1349 H1350 K1360 H1402 L1424 H1426 K1436 L1438	N1285-L1362 PolarHBondContact O-N 3.4Å; V1286-L1362 WeakPolarHBondContact CA-O 3.07Å; V1286-L1362 HydrophobicContact CB-CB 4.25Å; V1286-L1362 HydrophobicContact CB-CD2 3.63Å; V1286-L1362 HydrophobicContact CG1-CB 3.72Å; V1286-L1362 HydrophobicContact CG1-CD1 4.15Å; V1286-L1362 HydrophobicContact CG1-CG 4.13Å; V1286-L1362 HydrophobicContact CG2-CB 3.98Å; V1286-L1362 HydrophobicContact CG2-CD1 4.46Å; V1286-L1362 HydrophobicContact CG2-CD2 3.64Å; V1286-L1362 HydrophobicContact CG2-CG 3.86Å; L1348-L1362 HydrophobicContact CD1-CB 4.15Å; L1348-L1362 HydrophobicContact CD2-CB 4.37Å; L1348-L1362 HydrophobicContact CD2-CD1 4.14Å; D1349-L1362 VanDerWaalsContact O-CD1 3.23Å; D1349-L1362 WeakPolarHBondContact O-CD1 3.2Å; H1350-L1362 HydrophobicContact CB-CD1 3.8Å; H1350-L1362 VanDerWaalsContact CB-CD1 3.41Å; H1350-L1362 HydrophobicContact CB-CG 4.25Å; H1350-L1362 WeakPolarHBondContact ND1-CD1 3.34Å; K1360-L1362 PolarHBondContact O-N 2.91Å; L1362-H1402 VanDerWaalsContact C-CD2 3.46Å; L1362-H1402 WeakPolarHBondContact CB-CD2 3.01Å; L1362-H1402 VanDerWaalsContact CB-NE2 3.31Å; L1362-H1402 WeakPolarHBondContact CB-NE2 3.49Å; L1362-H1402 WeakPolarHBondContact O-CB 3.34Å; L1362-H1402 PolarHBondContact O-CD2 2.85Å; L1362-H1402 VanDerWaalsContact O-CD2 3.22Å; L1362-L1424 HydrophobicContact CB-CD1 4.12Å; L1362-L1424 HydrophobicContact CB-CD2 4.07Å; L1362-L1424 HydrophobicContact CD1-CD2 3.77Å; L1362-L1424 HydrophobicContact CD2-CD2 4.34Å; L1362-L1424 HydrophobicContact CG-CD2 4.3Å; L1362-H1426 HydrophobicContact CD1-CB 3.63Å; L1362-H1426 VanDerWaalsContact CD1-CB 3.48Å; L1362-H1426 VanDerWaalsContact CD1-CG 3.4Å; L1362-H1426 HydrophobicContact CD2-CB 3.75Å; L1362-H1426 HydrophobicContact CG-CB 4.28Å; L1362-K1436 HydrophobicContact CD2-CB 3.95Å; L1362-L1438 CarbonylContact C-O 3.41Å; L1362-L1438 HydrophobicContact CB-CD2 4.28Å; L1362-L1438 HydrophobicContact CD2-CB 3.92Å; L1362-L1438 HydrophobicContact CD2-CD1 3.85Å; L1362-L1438 HydrophobicContact CD2-CD2 4.22Å; L1362-L1438 HydrophobicContact CD2-CG 3.82Å
1363	Q	46.3	Very low	41.8	Very low	91.4 Å²	91.4	75.5 Å²	75.5	43%	0.427	41%	0.41	S	S	.	.			trans	-146.2	114.2	178.4	-159.3	174	5.5	0	0	111.9	V1286 Q1287 A1288 K1361 T1365 T1400 V1401 L1424 K1437 L1438 Q1439 A1440 H1478	V1286-Q1363 PolarHBondContact O-N 3.01Å; Q1287-Q1363 VanDerWaalsContact CA-O 3.31Å; Q1287-Q1363 WeakPolarHBondContact CA-O 3.48Å; Q1287-Q1363 HydrophobicContact CB-CG 4.23Å; Q1287-Q1363 VanDerWaalsContact O-CA 3.28Å; Q1287-Q1363 WeakPolarHBondContact O-CA 2.25Å; Q1287-Q1363 WeakPolarHBondContact O-CG 3.38Å; A1288-Q1363 PolarHBondContact N-O 2.79Å; K1361-Q1363 HydrophobicContact CD-CB 4.45Å; K1361-Q1363 VanDerWaalsContact CE-OE1 3.3Å; Q1363-T1365 WeakPolarHBondContact CG-OG1 3.3Å; Q1363-T1365 PolarHBondContact NE2-OG1 3.05Å; Q1363-T1400 WeakPolarHBondContact CA-O 3.31Å; Q1363-T1400 HydrophobicContact CB-CG2 4.08Å; Q1363-T1400 WeakPolarHBondContact CB-O 3.48Å; Q1363-T1400 HydrophobicContact CG-CG2 4Å; Q1363-V1401 CarbonylContact C-O 3.55Å; Q1363-L1424 WeakPolarHBondContact O-CD1 2.98Å; Q1363-K1437 VanDerWaalsContact CD-NZ 3.3Å; Q1363-K1437 VanDerWaalsContact NE2-NZ 3.14Å; Q1363-L1438 HydrophobicContact CB-CB 3.88Å; Q1363-L1438 PolarHBondContact N-O 2.75Å; Q1363-L1438 VanDerWaalsContact N-O 3.08Å; Q1363-L1438 PolarHBondContact NE2-O 2.75Å; Q1363-L1438 VanDerWaalsContact NE2-O 3.14Å; Q1363-L1438 WeakPolarHBondContact O-CB 3.39Å; Q1363-L1438 PolarHBondContact OE1-O 2.79Å; Q1363-Q1439 HydrophobicContact CB-CB 4.45Å; Q1363-Q1439 HydrophobicContact CB-CG 4.27Å; Q1363-Q1439 HydrophobicContact CG-CG 4.36Å; Q1363-Q1439 CarbonylContact O-C 3.29Å; Q1363-Q1439 WeakPolarHBondContact O-CA 3.36Å; Q1363-A1440 PolarHBondContact O-N 2.88Å; Q1363-H1478 PolarHBondContact N-NE2 3.29Å
1364	A	44.3	Very low	41.6	Very low	38 Å²	38	71 Å²	71	31%	0.314	40%	0.397	S	S	.	.			trans	-109	146	169.4	0	0	0	0	0	109.7	A1288 G1347 L1348 T1400 V1401 V1422 L1424 A1440 T1476 H1478	A1288-A1364 PolarHBondContact N-O 2.72Å; G1347-A1364 WeakPolarHBondContact O-CB 3.22Å; L1348-A1364 HydrophobicContact CB-CB 3.71Å; L1348-A1364 HydrophobicContact CD1-CB 3.83Å; L1348-A1364 HydrophobicContact CG-CB 4.39Å; A1364-T1400 PolarHBondContact N-O 3.17Å; A1364-T1400 CarbonylContact O-C 3.45Å; A1364-T1400 WeakPolarHBondContact O-CA 3.35Å; A1364-V1401 PolarHBondContact N-O 2.78Å; A1364-V1401 VanDerWaalsContact O-CA 3.3Å; A1364-V1401 WeakPolarHBondContact O-CA 3.14Å; A1364-V1401 VanDerWaalsContact O-CB 3.27Å; A1364-V1401 WeakPolarHBondContact O-CB 3.02Å; A1364-V1401 PolarHBondContact O-N 3.24Å; A1364-V1422 HydrophobicContact CB-CG1 3.87Å; A1364-L1424 HydrophobicContact CB-CB 3.67Å; A1364-A1440 CarbonylContact C-O 3.58Å; A1364-A1440 WeakPolarHBondContact CA-O 3.19Å; A1364-T1476 CarbonylContact C-O 3.59Å; A1364-T1476 WeakPolarHBondContact CA-O 3.12Å; A1364-T1476 HydrophobicContact CB-CG2 4.03Å; A1364-T1476 WeakPolarHBondContact CB-O 3.36Å; A1364-H1478 HydrophobicContact CB-CB 3.66Å; A1364-H1478 VanDerWaalsContact CB-CD2 3.47Å; A1364-H1478 WeakPolarHBondContact CB-CD2 3.31Å
1365	T	44.4	Very low	41.3	Very low	55.8 Å²	55.8	71.3 Å²	71.3	34%	0.342	40%	0.396	S	S	.	.			trans	-147.5	131.3	174.2	-76	0	0	0	0	111.6	A1288 T1289 M1290 Q1332 Q1363 R1367 G1399 T1400 A1440 T1441 M1442 T1476	A1288-T1365 PolarHBondContact O-N 3.05Å; T1289-T1365 CarbonylContact C-O 3.48Å; T1289-T1365 VanDerWaalsContact CA-O 3.23Å; T1289-T1365 WeakPolarHBondContact CA-O 3.37Å; T1289-T1365 PolarHBondContact O-OG1 3.22Å; M1290-T1365 PolarHBondContact N-O 2.99Å; Q1332-T1365 PolarHBondContact OE1-OG1 3.34Å; Q1363-T1365 WeakPolarHBondContact CG-OG1 3.3Å; Q1363-T1365 PolarHBondContact NE2-OG1 3.05Å; T1365-R1367 HydrophobicContact CG2-CG 4.31Å; T1365-G1399 WeakPolarHBondContact CG2-O 3.27Å; T1365-G1399 WeakPolarHBondContact OG1-CA 3.47Å; T1365-T1400 VanDerWaalsContact CB-N 3.32Å; T1365-T1400 PolarHBondContact OG1-N 2.65Å; T1365-A1440 HydrophobicContact CG2-CB 3.6Å; T1365-A1440 PolarHBondContact N-O 2.95Å; T1365-A1440 VanDerWaalsContact N-O 3.15Å; T1365-T1441 VanDerWaalsContact O-CA 3.28Å; T1365-T1441 WeakPolarHBondContact O-CA 3.43Å; T1365-M1442 HydrophobicContact CG2-CB 4.05Å; T1365-M1442 HydrophobicContact CG2-SD 3.87Å; T1365-M1442 WeakPolarHBondContact O-CE 3.45Å; T1365-M1442 PolarHBondContact O-N 3.15Å; T1365-M1442 VanDerWaalsContact O-N 3.08Å; T1365-T1476 PolarHBondContact N-O 2.89Å
1366	M	44.8	Very low	41.1	Very low	68.6 Å²	68.6	70.4 Å²	70.4	34%	0.338	39%	0.385	S	S	.	.			trans	-108.6	153.6	172.7	-107.6	149.5	87.7	0	0	110.6	V1270 Q1332 I1334 T1343 V1344 N1345 V1346 Q1368 T1409 I1410 V1420 N1421 V1422 M1442	V1270-M1366 HydrophobicContact CG2-CE 3.9Å; Q1332-M1366 HydrophobicContact CB-CB 4.02Å; Q1332-M1366 HydrophobicContact CB-CE 3.57Å; Q1332-M1366 HydrophobicContact CB-CG 4.44Å; Q1332-M1366 VanDerWaalsContact CD-N 3.34Å; Q1332-M1366 HydrophobicContact CG-CE 4.19Å; Q1332-M1366 VanDerWaalsContact NE2-C 3.34Å; Q1332-M1366 PolarHBondContact NE2-O 2.75Å; I1334-M1366 HydrophobicContact CG1-CB 4.49Å; I1334-M1366 HydrophobicContact CG1-CG 4.28Å; T1343-M1366 HydrophobicContact CG2-CE 3.76Å; T1343-M1366 HydrophobicContact CG2-SD 3.98Å; T1343-M1366 WeakPolarHBondContact OG1-CE 3.37Å; V1344-M1366 HydrophobicContact CB-CE 4.14Å; V1344-M1366 HydrophobicContact CG1-CE 3.12Å; N1345-M1366 WeakPolarHBondContact O-CE 3.49Å; V1346-M1366 HydrophobicContact CB-CB 4.07Å; V1346-M1366 HydrophobicContact CG1-CB 3.59Å; V1346-M1366 VanDerWaalsContact CG1-N 3.26Å; V1346-M1366 HydrophobicContact CG2-CB 3.78Å; V1346-M1366 HydrophobicContact CG2-CE 3.47Å; V1346-M1366 VanDerWaalsContact CG2-CE 3.47Å; V1346-M1366 HydrophobicContact CG2-CG 4.16Å; V1346-M1366 HydrophobicContact CG2-SD 3.87Å; M1366-Q1368 HydrophobicContact CE-CG 3.92Å; M1366-T1409 WeakPolarHBondContact CE-O 3.47Å; M1366-I1410 HydrophobicContact CG-CB 4.47Å; M1366-I1410 HydrophobicContact CG-CG2 3.9Å; M1366-I1410 WeakPolarHBondContact CG-O 3.32Å; M1366-I1410 HydrophobicContact SD-CB 4.38Å; M1366-I1410 HydrophobicContact SD-CG2 3.57Å; M1366-I1410 VanDerWaalsContact SD-CG2 3.57Å; M1366-V1420 HydrophobicContact CE-CB 4.02Å; M1366-V1420 HydrophobicContact CE-CG1 3.19Å; M1366-V1420 HydrophobicContact CG-CG1 4.31Å; M1366-V1420 HydrophobicContact SD-CG1 3.53Å; M1366-V1420 VanDerWaalsContact SD-CG1 3.53Å; M1366-N1421 VanDerWaalsContact SD-C 3.59Å; M1366-V1422 HydrophobicContact CB-CB 4.05Å; M1366-V1422 HydrophobicContact CB-CG2 3.78Å; M1366-V1422 HydrophobicContact CG-CB 4.41Å; M1366-V1422 HydrophobicContact CG-CG2 3.86Å; M1366-V1422 HydrophobicContact SD-CB 3.74Å; M1366-V1422 HydrophobicContact SD-CG2 3.48Å; M1366-V1422 WeakPolarHBondContact SD-CG2 3.07Å; M1366-M1442 WeakPolarHBondContact CA-O 3.13Å; M1366-M1442 HydrophobicContact CG-CB 3.87Å; M1366-M1442 HydrophobicContact CG-CE 4.26Å; M1366-M1442 HydrophobicContact CG-CG 4.06Å; M1366-M1442 HydrophobicContact CG-SD 4.17Å; M1366-M1442 HydrophobicContact SD-CB 4.2Å; M1366-M1442 HydrophobicContact SD-CE 4.38Å; M1366-M1442 HydrophobicContact SD-CG 4.23Å; M1366-M1442 HydrophobicContact SD-SD 3.57Å
1367	R	43.4	Very low	40.9	Very low	141.6 Å²	141.6	70.7 Å²	70.7	53%	0.534	38%	0.384	S	S	.	.			trans	-155.2	119.4	166.8	-75	-161.7	167.1	-166.1	1.4	110.8	I1258 M1290 R1291 Q1292 T1333 I1334 T1365 S1369 M1442 R1443 Q1444	I1258-R1367 HydrophobicContact CD1-CG 4.28Å; I1258-R1367 HydrophobicContact CG1-CG 4.22Å; M1290-R1367 HydrophobicContact CE-CG 4.34Å; M1290-R1367 PolarHBondContact O-N 3.17Å; M1290-R1367 VanDerWaalsContact O-N 3.13Å; R1291-R1367 CarbonylContact C-O 3.58Å; R1291-R1367 WeakPolarHBondContact CA-O 3.27Å; R1291-R1367 HydrophobicContact CG-CB 4.4Å; R1291-R1367 WeakPolarHBondContact O-CG 3.34Å; R1291-R1367 PolarHBondContact O-NE 3.14Å; Q1292-R1367 PolarHBondContact N-O 3.45Å; T1333-R1367 CarbonylContact O-C 3.59Å; T1333-R1367 WeakPolarHBondContact O-CA 3.32Å; T1333-R1367 PolarHBondContact O-N 3.23Å; I1334-R1367 WeakPolarHBondContact CG2-O 3.49Å; T1365-R1367 HydrophobicContact CG2-CG 4.31Å; R1367-S1369 VanDerWaalsContact NH1-CB 3.3Å; R1367-S1369 PolarHBondContact NH1-OG 3.13Å; R1367-M1442 HydrophobicContact CB-CB 3.69Å; R1367-M1442 VanDerWaalsContact N-CB 3.28Å; R1367-M1442 PolarHBondContact N-O 3.38Å; R1367-R1443 WeakPolarHBondContact O-CA 2.73Å; R1367-Q1444 PolarHBondContact O-N 2.85Å
1368	Q	43.3	Very low	40.7	Very low	62.4 Å²	62.4	70.6 Å²	70.6	29%	0.292	38%	0.384	S	S	.	.			trans	-111.3	144.7	173.4	-170.6	176.6	0.5	0	0	109.1	I1258 E1260 Q1292 T1333 P1335 H1342 V1344 M1366 V1370 V1420 Q1444 N2129	I1258-Q1368 HydrophobicContact CB-CB 3.79Å; I1258-Q1368 HydrophobicContact CB-CG 4.02Å; I1258-Q1368 HydrophobicContact CD1-CB 4.19Å; I1258-Q1368 HydrophobicContact CG1-CB 4.02Å; I1258-Q1368 WeakPolarHBondContact CG1-O 3.29Å; I1258-Q1368 WeakPolarHBondContact CG2-O 3.41Å; I1258-Q1368 VanDerWaalsContact N-OE1 3.1Å; I1258-Q1368 WeakPolarHBondContact O-CG 3.39Å; I1258-Q1368 PolarHBondContact O-NE2 3.47Å; I1258-Q1368 PolarHBondContact O-OE1 2.92Å; E1260-Q1368 VanDerWaalsContact CB-NE2 3.34Å; E1260-Q1368 PolarHBondContact OE2-NE2 3.4Å; Q1292-Q1368 HydrophobicContact CB-CG 4.21Å; Q1292-Q1368 CarbonylContact O-C 3.46Å; Q1292-Q1368 WeakPolarHBondContact O-CA 3.49Å; Q1292-Q1368 WeakPolarHBondContact O-CB 2.26Å; Q1292-Q1368 WeakPolarHBondContact O-CG 2.26Å; T1333-Q1368 HydrophobicContact CG2-CB 4.36Å; T1333-Q1368 HydrophobicContact CG2-CG 4.28Å; T1333-Q1368 VanDerWaalsContact CG2-OE1 3.24Å; T1333-Q1368 WeakPolarHBondContact O-CB 3.4Å; T1333-Q1368 PolarHBondContact O-N 2.95Å; P1335-Q1368 HydrophobicContact CG-CG 4.47Å; H1342-Q1368 PolarHBondContact CD2-NE2 3.24Å; V1344-Q1368 HydrophobicContact CG1-CB 3.86Å; V1344-Q1368 HydrophobicContact CG1-CG 4.46Å; V1344-Q1368 VanDerWaalsContact CG2-OE1 3.25Å; M1366-Q1368 HydrophobicContact CE-CG 3.92Å; Q1368-V1370 HydrophobicContact CG-CG2 3.71Å; Q1368-V1420 HydrophobicContact CB-CG1 4.02Å; Q1368-V1420 HydrophobicContact CG-CG2 4.2Å; Q1368-V1420 VanDerWaalsContact NE2-CG2 3.31Å; Q1368-V1420 VanDerWaalsContact OE1-CB 3.3Å; Q1368-Q1444 CarbonylContact C-O 3.08Å; Q1368-Q1444 WeakPolarHBondContact CA-O 2.23Å; Q1368-N2129 HydrophobicContact CG-CB 4.48Å; Q1368-N2129 PolarHBondContact NE2-OD1 3.33Å; Q1368-N2129 PolarHBondContact OE1-OD1 2.94Å
1369	S	40.5	Very low	40.6	Very low	54.6 Å²	54.6	70.6 Å²	70.6	38%	0.382	39%	0.385	S	S	.	.			trans	-123	147.2	170.2	46.5	0	0	0	0	111.3	P1259 Q1292 S1293 V1294 R1367 Q1444 S1445 V1446 L2127	P1259-S1369 CarbonylContact O-C 3.27Å; P1259-S1369 WeakPolarHBondContact O-CA 3.25Å; Q1292-S1369 PolarHBondContact O-N 2.99Å; S1293-S1369 WeakPolarHBondContact CA-O 3.35Å; V1294-S1369 PolarHBondContact N-O 2.9Å; V1294-S1369 VanDerWaalsContact N-O 3.14Å; R1367-S1369 VanDerWaalsContact NH1-CB 3.3Å; R1367-S1369 PolarHBondContact NH1-OG 3.13Å; S1369-Q1444 PolarHBondContact N-O 3.17Å; S1369-Q1444 VanDerWaalsContact N-O 3.08Å; S1369-Q1444 PolarHBondContact OG-O 3.45Å; S1369-S1445 WeakPolarHBondContact O-CA 3.43Å; S1369-S1445 WeakPolarHBondContact OG-CA 3.49Å; S1369-S1445 VanDerWaalsContact OG-CB 3.29Å; S1369-S1445 WeakPolarHBondContact OG-CB 3.25Å; S1369-V1446 PolarHBondContact O-N 3.02Å; S1369-L2127 VanDerWaalsContact O-CD2 3.22Å; S1369-L2127 WeakPolarHBondContact O-CD2 3.29Å; S1369-L2127 WeakPolarHBondContact O-CG 3.26Å; S1369-L2127 WeakPolarHBondContact OG-CD1 3.33Å; S1369-L2127 VanDerWaalsContact OG-CG 3.31Å; S1369-L2127 WeakPolarHBondContact OG-CG 3.15Å
1370	V	43.9	Very low	40.1	Very low	54.8 Å²	54.8	74.5 Å²	74.5	33%	0.332	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	139.3	168.2	179.4	0	0	0	0	107.5	P1259 V1294 E1295 F1341 H1342 Q1368 N1372 V1446 L2127	P1259-V1370 PolarHBondContact O-N 3.32Å; P1259-V1370 VanDerWaalsContact O-N 3.07Å; V1294-V1370 HydrophobicContact CB-CG2 4.5Å; V1294-V1370 WeakPolarHBondContact O-CA 3.32Å; V1294-V1370 WeakPolarHBondContact O-CB 3.35Å; V1294-V1370 VanDerWaalsContact O-CG1 3.3Å; V1294-V1370 WeakPolarHBondContact O-CG1 2.78Å; E1295-V1370 HydrophobicContact CG-CG1 4.1Å; F1341-V1370 HydrophobicContact CE2-CG2 3.57Å; F1341-V1370 HydrophobicContact CZ-CG2 3.65Å; H1342-V1370 WeakPolarHBondContact CD2-CG2 3.04Å; H1342-V1370 VanDerWaalsContact NE2-CG1 3.34Å; H1342-V1370 WeakPolarHBondContact NE2-CG1 3.48Å; H1342-V1370 WeakPolarHBondContact NE2-CG2 2.79Å; Q1368-V1370 HydrophobicContact CG-CG2 3.71Å; V1370-N1372 HydrophobicContact CG1-CB 4.2Å; V1370-N1372 WeakPolarHBondContact CG1-ND2 2.91Å; V1370-N1372 VanDerWaalsContact CG1-OD1 3.25Å; V1370-N1372 WeakPolarHBondContact CG1-OD1 3.38Å; V1370-V1446 VanDerWaalsContact CA-O 3.25Å; V1370-V1446 WeakPolarHBondContact CA-O 3.33Å; V1370-V1446 HydrophobicContact CG2-CB 4.28Å; V1370-L2127 VanDerWaalsContact O-CD2 3.29Å; V1370-L2127 WeakPolarHBondContact O-CD2 3.39Å
1371	E	37.5	Very low	39.6	Very low	82.2 Å²	82.2	73.1 Å²	73.1	38%	0.384	40%	0.398	S	S	.	.			trans	-122.7	124.8	-178.4	-115	-171.5	167.1	0	0	110	V1294 E1295 N1296 T1314 F1316 T1390 F1392 V1446 E1447 N1448 L2127 K2128	V1294-E1371 WeakPolarHBondContact CA-OE2 2.95Å; V1294-E1371 HydrophobicContact CG1-CG 4.4Å; V1294-E1371 PolarHBondContact O-N 2.94Å; E1295-E1371 WeakPolarHBondContact CA-O 3.31Å; E1295-E1371 PolarHBondContact N-OE2 3.13Å; N1296-E1371 PolarHBondContact N-O 2.86Å; N1296-E1371 PolarHBondContact ND2-OE1 3.48Å; N1296-E1371 PolarHBondContact ND2-OE2 3.29Å; T1314-E1371 WeakPolarHBondContact CG2-OE1 3.36Å; F1316-E1371 HydrophobicContact CD2-CG 4.36Å; F1316-E1371 WeakPolarHBondContact CD2-OE2 3Å; F1316-E1371 WeakPolarHBondContact CE2-OE2 3.09Å; E1371-T1390 HydrophobicContact CB-CG2 3.85Å; E1371-T1390 HydrophobicContact CG-CG2 3.76Å; E1371-T1390 VanDerWaalsContact OE1-CB 3.29Å; E1371-T1390 WeakPolarHBondContact OE1-CB 2.98Å; E1371-T1390 VanDerWaalsContact OE1-CG2 3.26Å; E1371-T1390 WeakPolarHBondContact OE1-CG2 3.27Å; E1371-T1390 PolarHBondContact OE1-OG1 3.27Å; E1371-F1392 HydrophobicContact CB-CD2 4.45Å; E1371-F1392 HydrophobicContact CG-CD2 3.8Å; E1371-F1392 HydrophobicContact CG-CE2 4.14Å; E1371-V1446 PolarHBondContact N-O 2.95Å; E1371-E1447 HydrophobicContact CB-CG 3.36Å; E1371-N1448 WeakPolarHBondContact O-CB 3.46Å; E1371-N1448 PolarHBondContact O-N 3.16Å; E1371-N1448 PolarHBondContact O-ND2 2.87Å; E1371-L2127 HydrophobicContact CB-CB 4.24Å; E1371-L2127 HydrophobicContact CB-CD2 3.33Å; E1371-L2127 HydrophobicContact CB-CG 4.4Å; E1371-L2127 HydrophobicContact CG-CB 4.26Å; E1371-L2127 HydrophobicContact CG-CD2 3.85Å; E1371-L2127 VanDerWaalsContact N-CD2 3.31Å; E1371-K2128 HydrophobicContact CB-CD 4.28Å; E1371-K2128 VanDerWaalsContact CB-CE 3.45Å; E1371-K2128 HydrophobicContact CB-CG 4.3Å; E1371-K2128 VanDerWaalsContact O-CE 3.31Å; E1371-K2128 WeakPolarHBondContact O-CE 3.3Å; E1371-K2128 PolarHBondContact O-NZ 2.83Å; E1371-K2128 WeakPolarHBondContact OE2-CD 3.31Å; E1371-K2128 WeakPolarHBondContact OE2-CE 3.27Å; E1371-K2128 IonicContact OE2-NZ 2.77Å; E1371-K2128 PolarHBondContact OE2-NZ 3.36Å
1372	N	38.2	Very low	38.8	Very low	60 Å²	60	73.7 Å²	73.7	32%	0.321	40%	0.403	S	S	.	.			trans	-123.5	120.7	175.5	-66.8	-16.4	0	0	0	111.8	E1295 N1296 E1337 V1340 H1342 V1370 S1374 P1388 T1390 E1447 N1448	E1295-N1372 PolarHBondContact O-ND2 2.77Å; N1296-N1372 PolarHBondContact ND2-O 3.28Å; N1296-N1372 WeakPolarHBondContact O-CB 3.37Å; N1296-N1372 PolarHBondContact O-ND2 2.94Å; E1337-N1372 PolarHBondContact OE2-ND2 2.96Å; V1340-N1372 WeakPolarHBondContact CG1-ND2 3.49Å; H1342-N1372 PolarHBondContact CE1-ND2 2.73Å; H1342-N1372 PolarHBondContact CE1-OD1 3.04Å; H1342-N1372 PolarHBondContact ND1-ND2 2.79Å; V1370-N1372 HydrophobicContact CG1-CB 4.2Å; V1370-N1372 WeakPolarHBondContact CG1-ND2 2.91Å; V1370-N1372 VanDerWaalsContact CG1-OD1 3.25Å; V1370-N1372 WeakPolarHBondContact CG1-OD1 3.38Å; N1372-S1374 VanDerWaalsContact CG-O 3.27Å; N1372-S1374 PolarHBondContact O-N 3.47Å; N1372-S1374 PolarHBondContact OD1-O 2.61Å; N1372-P1388 CarbonylContact C-O 3.27Å; N1372-P1388 WeakPolarHBondContact CA-O 3.42Å; N1372-P1388 HydrophobicContact CB-CB 3.79Å; N1372-P1388 HydrophobicContact CB-CG 3.49Å; N1372-P1388 VanDerWaalsContact CB-CG 3.49Å; N1372-P1388 WeakPolarHBondContact CB-O 3.48Å; N1372-T1390 WeakPolarHBondContact CA-OG1 3.26Å; N1372-T1390 PolarHBondContact N-OG1 3.2Å; N1372-E1447 PolarHBondContact ND2-OE1 2.92Å; N1372-N1448 HydrophobicContact CB-CB 4.26Å; N1372-N1448 PolarHBondContact OD1-ND2 3.44Å
1373	T	35	Very low	38.1	Very low	77.6 Å²	77.6	73 Å²	73	48%	0.476	40%	0.401	S	S	.	.			trans	-109.4	116.7	163.1	-56.1	0	0	0	0	110.5	N1296 T1297 S1298 L1311 P1312 K1313 T1314 P1388 K1389 N1448	N1296-T1373 PolarHBondContact ND2-OG1 3.16Å; N1296-T1373 VanDerWaalsContact ND2-OG1 3.16Å; N1296-T1373 PolarHBondContact O-N 2.86Å; T1297-T1373 WeakPolarHBondContact CA-O 3.35Å; T1297-T1373 PolarHBondContact N-OG1 3.47Å; S1298-T1373 PolarHBondContact N-O 2.98Å; L1311-T1373 HydrophobicContact CB-CG2 3.51Å; L1311-T1373 HydrophobicContact CD2-CG2 4.36Å; P1312-T1373 VanDerWaalsContact C-CG2 3.45Å; P1312-T1373 HydrophobicContact CB-CG2 3.91Å; P1312-T1373 VanDerWaalsContact CD-CG2 3.47Å; P1312-T1373 HydrophobicContact CG-CG2 4.23Å; P1312-T1373 CarbonylContact O-C 3.15Å; P1312-T1373 WeakPolarHBondContact O-CG2 3.5Å; K1313-T1373 WeakPolarHBondContact CA-O 3.42Å; T1314-T1373 WeakPolarHBondContact OG1-CB 3.44Å; T1314-T1373 PolarHBondContact OG1-OG1 2.86Å; T1373-P1388 VanDerWaalsContact C-C 3.44Å; T1373-P1388 PolarHBondContact N-O 3.4Å; T1373-K1389 CarbonylContact C-O 3.36Å; T1373-K1389 WeakPolarHBondContact CA-O 3.34Å; T1373-K1389 PolarHBondContact N-O 2.76Å; T1373-K1389 CarbonylContact O-C 3.59Å; T1373-K1389 VanDerWaalsContact O-C 3.26Å; T1373-K1389 VanDerWaalsContact O-CA 3.24Å; T1373-K1389 WeakPolarHBondContact O-CA 3.1Å; T1373-K1389 VanDerWaalsContact O-CB 3.31Å; T1373-K1389 WeakPolarHBondContact O-CB 3.08Å; T1373-K1389 PolarHBondContact O-N 2.73Å; T1373-N1448 PolarHBondContact N-O 2.7Å; T1373-N1448 VanDerWaalsContact O-O 3.12Å
1374	S	36.9	Very low	37.4	Very low	51.8 Å²	51.8	71 Å²	71	36%	0.362	40%	0.396	S	S	.	.			trans	-148.2	135.7	175.2	-149.5	0	0	0	0	113.9	L1311 P1312 N1372 Q1376 L1387 K1389 N1448 S1450	L1311-S1374 CarbonylContact C-O 3.14Å; L1311-S1374 VanDerWaalsContact C-O 3.27Å; L1311-S1374 WeakPolarHBondContact CA-O 3.49Å; L1311-S1374 WeakPolarHBondContact CB-O 2.82Å; L1311-S1374 WeakPolarHBondContact CD1-O 3.22Å; L1311-S1374 PolarHBondContact N-O 3.34Å; L1311-S1374 CarbonylContact O-C 2.87Å; L1311-S1374 VanDerWaalsContact O-C 3.23Å; P1312-S1374 CarbonylContact O-C 3.53Å; P1312-S1374 WeakPolarHBondContact O-CA 3.36Å; P1312-S1374 PolarHBondContact O-N 3.3Å; N1372-S1374 VanDerWaalsContact CG-O 3.27Å; N1372-S1374 PolarHBondContact O-N 3.47Å; N1372-S1374 PolarHBondContact OD1-O 2.61Å; S1374-Q1376 PolarHBondContact O-N 3.33Å; S1374-L1387 WeakPolarHBondContact CB-O 3.49Å; S1374-K1389 VanDerWaalsContact CB-N 3.35Å; S1374-N1448 PolarHBondContact O-ND2 3.05Å; S1374-S1450 VanDerWaalsContact CB-O 3.23Å; S1374-S1450 WeakPolarHBondContact CB-O 3.4Å; S1374-S1450 PolarHBondContact OG-O 2.78Å
1375	T	33.8	Very low	36.9	Very low	64.6 Å²	64.6	72.3 Å²	72.3	40%	0.396	40%	0.4	S	S	.	.			trans	-126.4	0	168.6	21.4	0	0	0	0	115.5	S1298 Q1300 V1310 L1311 P1312 R1338 P1339 V1340 R1414 V1416 F1417	S1298-T1375 PolarHBondContact O-N 3.01Å; Q1300-T1375 PolarHBondContact N-O 3.32Å; Q1300-T1375 VanDerWaalsContact N-O 3.15Å; V1310-T1375 HydrophobicContact CG1-CG2 3.9Å; L1311-T1375 WeakPolarHBondContact O-CA 3.43Å; L1311-T1375 WeakPolarHBondContact O-CB 3.19Å; L1311-T1375 PolarHBondContact O-OG1 2.77Å; P1312-T1375 PolarHBondContact O-OG1 2.92Å; P1312-T1375 VanDerWaalsContact O-OG1 3.14Å; R1338-T1375 HydrophobicContact CB-CG2 4.12Å; P1339-T1375 VanDerWaalsContact C-CB 3.41Å; P1339-T1375 VanDerWaalsContact O-CB 3.3Å; P1339-T1375 WeakPolarHBondContact O-CB 3.48Å; V1340-T1375 HydrophobicContact CB-CG2 3.75Å; V1340-T1375 HydrophobicContact CG1-CG2 4.4Å; V1340-T1375 HydrophobicContact CG2-CG2 3.29Å; V1340-T1375 VanDerWaalsContact N-CB 3.31Å; T1375-R1414 PolarHBondContact OG1-O 2.95Å; T1375-V1416 VanDerWaalsContact C-CB 3.45Å; T1375-V1416 VanDerWaalsContact C-CG1 3.44Å; T1375-V1416 CarbonylContact O-C 3.43Å; T1375-V1416 WeakPolarHBondContact O-CA 3.4Å; T1375-V1416 VanDerWaalsContact O-CB 3.28Å; T1375-V1416 WeakPolarHBondContact O-CB 3.34Å; T1375-V1416 WeakPolarHBondContact OG1-CB 3.3Å; T1375-V1416 WeakPolarHBondContact OG1-CG2 2.98Å; T1375-V1416 PolarHBondContact OG1-N 3.13Å; T1375-F1417 PolarHBondContact O-N 3.33Å
1376	Q	31.9	Very low	36.7	Very low	66.4 Å²	66.4	72.6 Å²	72.6	31%	0.31	40%	0.402	S	S	.	.				0	143.4	0	174.5	169.5	-12.9	0	0	113.1	Q1300 V1310 F1341 H1342 S1374 D1378 P1384 V1386 V1416 F1417 H1418 Q1452	Q1300-Q1376 PolarHBondContact NE2-O 2.88Å; V1310-Q1376 HydrophobicContact CG2-CB 3.62Å; V1310-Q1376 HydrophobicContact CG2-CG 4.38Å; V1310-Q1376 VanDerWaalsContact CG2-N 3.32Å; F1341-Q1376 CarbonylContact C-O 3.03Å; F1341-Q1376 VanDerWaalsContact CB-C 3.48Å; F1341-Q1376 HydrophobicContact CB-CB 3.39Å; F1341-Q1376 HydrophobicContact CB-CG 3.48Å; F1341-Q1376 VanDerWaalsContact CB-CG 3.48Å; F1341-Q1376 HydrophobicContact CD2-CG 3.67Å; F1341-Q1376 HydrophobicContact CG-CB 4.31Å; F1341-Q1376 HydrophobicContact CG-CG 3.94Å; F1341-Q1376 CarbonylContact O-C 3.51Å; F1341-Q1376 WeakPolarHBondContact O-CA 3.37Å; F1341-Q1376 PolarHBondContact O-N 3.48Å; H1342-Q1376 WeakPolarHBondContact CA-O 3.11Å; H1342-Q1376 PolarHBondContact N-O 3.01Å; S1374-Q1376 PolarHBondContact O-N 3.33Å; Q1376-D1378 PolarHBondContact NE2-OD1 3.49Å; Q1376-D1378 PolarHBondContact NE2-OD2 2.87Å; Q1376-P1384 VanDerWaalsContact NE2-CB 3.32Å; Q1376-P1384 VanDerWaalsContact NE2-CG 3.32Å; Q1376-V1386 HydrophobicContact CB-CB 4.01Å; Q1376-V1386 HydrophobicContact CB-CG1 4.44Å; Q1376-V1386 HydrophobicContact CB-CG2 4.06Å; Q1376-V1416 VanDerWaalsContact CB-O 3.27Å; Q1376-V1416 WeakPolarHBondContact CB-O 3.43Å; Q1376-V1416 PolarHBondContact NE2-O 2.88Å; Q1376-F1417 VanDerWaalsContact C-C 3.5Å; Q1376-F1417 VanDerWaalsContact CA-CA 3.49Å; Q1376-F1417 VanDerWaalsContact CB-CA 3.44Å; Q1376-F1417 HydrophobicContact CB-CB 4.41Å; Q1376-F1417 HydrophobicContact CB-CD1 4.3Å; Q1376-F1417 HydrophobicContact CB-CG 4.35Å; Q1376-F1417 HydrophobicContact CG-CB 4.45Å; Q1376-F1417 HydrophobicContact CG-CD1 3.48Å; Q1376-F1417 VanDerWaalsContact CG-CD1 3.48Å; Q1376-F1417 HydrophobicContact CG-CE1 3.83Å; Q1376-F1417 HydrophobicContact CG-CG 4.01Å; Q1376-F1417 CarbonylContact O-C 3.57Å; Q1376-F1417 VanDerWaalsContact O-C 3.23Å; Q1376-H1418 WeakPolarHBondContact O-CA 3.3Å; Q1376-H1418 WeakPolarHBondContact O-CB 3.15Å; Q1376-H1418 PolarHBondContact O-N 2.85Å; Q1376-Q1452 WeakPolarHBondContact CA-O 3.36Å; Q1376-Q1452 WeakPolarHBondContact CB-O 3.25Å; Q1376-Q1452 VanDerWaalsContact CG-O 3.28Å; Q1376-Q1452 WeakPolarHBondContact CG-O 3.47Å
1377	T	32.6	Very low	36.7	Very low	69.4 Å²	69.4	72 Å²	72	43%	0.426	40%	0.4	S	S	.	.			trans	-123.8	132.9	-174.8	-65.9	0	0	0	0	111.9	Q1300 D1302 F1341 H1342 P1379 H1418 T1419 Q1452 T1453	Q1300-T1377 PolarHBondContact NE2-OG1 2.83Å; Q1300-T1377 PolarHBondContact O-N 3.17Å; Q1300-T1377 VanDerWaalsContact O-N 3.1Å; D1302-T1377 WeakPolarHBondContact OD1-CG2 3.33Å; D1302-T1377 PolarHBondContact OD2-OG1 2.84Å; F1341-T1377 WeakPolarHBondContact CA-OG1 3.02Å; F1341-T1377 HydrophobicContact CB-CG2 4.49Å; F1341-T1377 WeakPolarHBondContact CB-OG1 3.24Å; F1341-T1377 VanDerWaalsContact CD2-CB 3.44Å; F1341-T1377 HydrophobicContact CD2-CG2 4.06Å; F1341-T1377 HydrophobicContact CG-CG2 4.39Å; F1341-T1377 WeakPolarHBondContact CG-OG1 3.1Å; H1342-T1377 VanDerWaalsContact C-CA 3.44Å; H1342-T1377 PolarHBondContact N-OG1 3.08Å; H1342-T1377 VanDerWaalsContact O-CA 3.23Å; H1342-T1377 WeakPolarHBondContact O-CA 3.01Å; H1342-T1377 WeakPolarHBondContact O-CB 3.19Å; H1342-T1377 WeakPolarHBondContact O-CG2 3.44Å; H1342-T1377 PolarHBondContact O-OG1 3.32Å; T1377-P1379 HydrophobicContact CG2-CB 3.99Å; T1377-P1379 WeakPolarHBondContact O-CD 3.32Å; T1377-H1418 CarbonylContact C-O 3.15Å; T1377-H1418 VanDerWaalsContact C-O 3.29Å; T1377-T1419 PolarHBondContact O-OG1 2.98Å; T1377-Q1452 PolarHBondContact N-O 3.47Å; T1377-T1453 PolarHBondContact N-OG1 2.99Å; T1377-T1453 WeakPolarHBondContact O-CA 3.16Å; T1377-T1453 VanDerWaalsContact O-CG2 3.23Å; T1377-T1453 WeakPolarHBondContact O-CG2 3.22Å
1378	D	36.7	Very low	36.8	Very low	56.2 Å²	56.2	66.7 Å²	66.7	30%	0.301	38%	0.384	S	S	.	.			trans	-102.3	146.2	170.8	-119.1	-17.1	0	0	0	110.9	H1342 T1343 N1345 Q1376 M1380 A1381 Q1382 V1383 T1419 T1453 D1454 M1456	H1342-D1378 PolarHBondContact O-N 3.25Å; H1342-D1378 VanDerWaalsContact O-N 3.1Å; T1343-D1378 WeakPolarHBondContact CB-O 2.95Å; T1343-D1378 HydrophobicContact CG2-CB 3.73Å; T1343-D1378 WeakPolarHBondContact CG2-O 3.35Å; T1343-D1378 PolarHBondContact OG1-O 3.42Å; N1345-D1378 PolarHBondContact ND2-OD2 2.93Å; Q1376-D1378 PolarHBondContact NE2-OD1 3.49Å; Q1376-D1378 PolarHBondContact NE2-OD2 2.87Å; D1378-M1380 PolarHBondContact O-N 3.39Å; D1378-M1380 PolarHBondContact OD2-N 2.82Å; D1378-A1381 HydrophobicContact CB-CB 4.3Å; D1378-A1381 WeakPolarHBondContact OD1-CA 3.4Å; D1378-A1381 WeakPolarHBondContact OD1-CB 3.35Å; D1378-A1381 VanDerWaalsContact OD2-CA 3.31Å; D1378-A1381 WeakPolarHBondContact OD2-CA 3.47Å; D1378-Q1382 PolarHBondContact OD1-N 3.14Å; D1378-V1383 PolarHBondContact OD1-N 3.26Å; D1378-T1419 WeakPolarHBondContact CA-OG1 3.09Å; D1378-T1419 HydrophobicContact CB-CG2 3.9Å; D1378-T1419 WeakPolarHBondContact CB-OG1 3.42Å; D1378-T1419 VanDerWaalsContact CG-CG2 3.44Å; D1378-T1419 PolarHBondContact N-OG1 2.65Å; D1378-T1453 WeakPolarHBondContact O-CG2 3.41Å; D1378-D1454 CarbonylContact C-O 3.23Å; D1378-M1456 PolarHBondContact OD1-N 3.06Å
1379	P	34.7	Very low	37.2	Very low	76.4 Å²	76.4	67.8 Å²	67.8	50%	0.496	39%	0.388	S	S	.	.			trans	-106.6	126.8	-166.5	35.2	-27.8	0	0	0	114.6	T1301 D1302 P1303 T1377 A1381 A1457	T1301-P1379 HydrophobicContact CG2-CG 4.24Å; D1302-P1379 WeakPolarHBondContact O-CD 3.41Å; D1302-P1379 WeakPolarHBondContact O-CG 3.37Å; P1303-P1379 HydrophobicContact CB-CB 4Å; P1303-P1379 HydrophobicContact CB-CG 4.19Å; P1303-P1379 HydrophobicContact CG-CB 3.77Å; P1303-P1379 HydrophobicContact CG-CG 4.07Å; T1377-P1379 HydrophobicContact CG2-CB 3.99Å; T1377-P1379 WeakPolarHBondContact O-CD 3.32Å; P1379-A1381 PolarHBondContact O-N 3.19Å; P1379-A1381 VanDerWaalsContact O-N 3.12Å; P1379-A1457 HydrophobicContact CG-CB 4.13Å; P1379-A1457 WeakPolarHBondContact O-CB 3.16Å
1380	M	32.6	Very low	38.3	Very low	121.6 Å²	121.6	66.2 Å²	66.2	60%	0.599	38%	0.375	S	S	*	.			trans	-91.5	94.4	168.9	-89.9	179.3	69.3	0	0	113.4	Q1306 D1378 Q1382 P1455 A1457	Q1306-M1380 HydrophobicContact CG-CE 4.33Å; Q1306-M1380 VanDerWaalsContact NE2-CE 3.34Å; D1378-M1380 PolarHBondContact O-N 3.39Å; D1378-M1380 PolarHBondContact OD2-N 2.82Å; M1380-Q1382 HydrophobicContact CB-CG 3.77Å; M1380-Q1382 HydrophobicContact CE-CG 4.32Å; M1380-Q1382 PolarHBondContact O-N 3.44Å; M1380-P1455 VanDerWaalsContact CB-O 3.26Å; M1380-P1455 WeakPolarHBondContact CB-O 3.43Å; M1380-A1457 HydrophobicContact CG-CB 3.63Å
1381	A	34.1	Very low	39.2	Very low	53.4 Å²	53.4	64.9 Å²	64.9	44%	0.441	37%	0.368	S	S	.	.			trans	-110.5	110.3	-179.5	0	0	0	0	0	114.5	P1303 Q1306 D1378 P1379 V1383	P1303-A1381 HydrophobicContact CB-CB 3.96Å; P1303-A1381 HydrophobicContact CG-CB 3.8Å; P1303-A1381 WeakPolarHBondContact CG-O 3.42Å; P1303-A1381 WeakPolarHBondContact O-CB 3.35Å; Q1306-A1381 HydrophobicContact CB-CB 3.95Å; Q1306-A1381 VanDerWaalsContact NE2-C 3.28Å; Q1306-A1381 PolarHBondContact NE2-O 2.89Å; D1378-A1381 HydrophobicContact CB-CB 4.3Å; D1378-A1381 WeakPolarHBondContact OD1-CA 3.4Å; D1378-A1381 WeakPolarHBondContact OD1-CB 3.35Å; D1378-A1381 VanDerWaalsContact OD2-CA 3.31Å; D1378-A1381 WeakPolarHBondContact OD2-CA 3.47Å; P1379-A1381 PolarHBondContact O-N 3.19Å; P1379-A1381 VanDerWaalsContact O-N 3.12Å; A1381-V1383 PolarHBondContact O-N 2.79Å; A1381-V1383 VanDerWaalsContact O-N 3.13Å
1382	Q	31.1	Very low	40.7	Very low	128.4 Å²	128.4	62.8 Å²	62.8	60%	0.6	36%	0.357	S	S	*	.			trans	-81.2	89.9	168.3	-74.4	-176.1	25.8	0	0	113.6	D1378 M1380 A1457 V1459	D1378-Q1382 PolarHBondContact OD1-N 3.14Å; M1380-Q1382 HydrophobicContact CB-CG 3.77Å; M1380-Q1382 HydrophobicContact CE-CG 4.32Å; M1380-Q1382 PolarHBondContact O-N 3.44Å; Q1382-A1457 HydrophobicContact CB-CB 4.08Å; Q1382-A1457 PolarHBondContact NE2-O 2.8Å; Q1382-A1457 PolarHBondContact OE1-O 3.25Å; Q1382-V1459 HydrophobicContact CB-CG2 3.69Å; Q1382-V1459 HydrophobicContact CG-CG2 3.72Å; Q1382-V1459 WeakPolarHBondContact O-CG2 3.44Å
1383	V	33.2	Very low	42.5	Very low	58.6 Å²	58.6	62.8 Å²	62.8	36%	0.355	36%	0.357	S	S	.	.			trans	-92.7	125.5	178.6	-174	0	0	0	0	111.8	Q1306 P1308 D1378 A1381 T1385 V1459	Q1306-V1383 HydrophobicContact CB-CG2 3.68Å; Q1306-V1383 VanDerWaalsContact O-CG2 3.24Å; Q1306-V1383 WeakPolarHBondContact O-CG2 3.35Å; P1308-V1383 HydrophobicContact CB-CB 4.23Å; P1308-V1383 HydrophobicContact CB-CG1 4.04Å; P1308-V1383 HydrophobicContact CG-CB 4.21Å; P1308-V1383 HydrophobicContact CG-CG1 3.87Å; D1378-V1383 PolarHBondContact OD1-N 3.26Å; A1381-V1383 PolarHBondContact O-N 2.79Å; A1381-V1383 VanDerWaalsContact O-N 3.13Å; V1383-T1385 VanDerWaalsContact C-N 3.35Å; V1383-T1385 PolarHBondContact O-N 3.11Å; V1383-V1459 WeakPolarHBondContact O-CG1 3.2Å
1384	P	33.4	Very low	44.3	Very low	48.2 Å²	48.2	61.8 Å²	61.8	31%	0.313	35%	0.351	S	S	.	.			trans	-71.1	140.3	176.1	22.8	-26.2	0	0	0	112.6	Q1376 V1386 V1459 P1460	Q1376-P1384 VanDerWaalsContact NE2-CB 3.32Å; Q1376-P1384 VanDerWaalsContact NE2-CG 3.32Å; P1384-V1386 PolarHBondContact O-N 2.96Å; P1384-V1386 VanDerWaalsContact O-N 3.1Å; P1384-V1459 HydrophobicContact CB-CB 4.49Å; P1384-V1459 HydrophobicContact CB-CG1 4.27Å; P1384-V1459 HydrophobicContact CG-CB 4.21Å; P1384-V1459 HydrophobicContact CG-CG1 3.81Å; P1384-P1460 VanDerWaalsContact CB-O 3.31Å; P1384-P1460 WeakPolarHBondContact CB-O 3.37Å
1385	T	33.1	Very low	46.1	Very low	65 Å²	65	60.1 Å²	60.1	40%	0.399	34%	0.339	S	S	.	.			trans	-84.1	120.5	175	-61	0	0	0	0	110.9	T1309 L1311 V1383 L1387 T1461 V1462	T1309-T1385 HydrophobicContact CG2-CG2 4.12Å; L1311-T1385 HydrophobicContact CD1-CG2 3.57Å; V1383-T1385 VanDerWaalsContact C-N 3.35Å; V1383-T1385 PolarHBondContact O-N 3.11Å; T1385-L1387 HydrophobicContact CG2-CD2 4.08Å; T1385-L1387 HydrophobicContact CG2-CG 4.22Å; T1385-L1387 PolarHBondContact O-N 2.92Å; T1385-L1387 VanDerWaalsContact O-N 3.07Å; T1385-T1461 HydrophobicContact CG2-CG2 4.2Å; T1385-T1461 CarbonylContact O-C 2.83Å; T1385-T1461 VanDerWaalsContact O-CA 3.3Å; T1385-T1461 WeakPolarHBondContact O-CA 3.37Å; T1385-V1462 PolarHBondContact O-N 2.95Å
1386	V	40.3	Very low	48	Very low	63.6 Å²	63.6	59.5 Å²	59.5	39%	0.385	34%	0.335	S	S	.	.	B	Isolated β-bridge	trans	-98.3	113.6	-179.8	174	0	0	0	0	110.1	L1311 Q1376 P1384 P1388 S1450 V1462	L1311-V1386 WeakPolarHBondContact CD1-O 3.44Å; Q1376-V1386 HydrophobicContact CB-CB 4.01Å; Q1376-V1386 HydrophobicContact CB-CG1 4.44Å; Q1376-V1386 HydrophobicContact CB-CG2 4.06Å; P1384-V1386 PolarHBondContact O-N 2.96Å; P1384-V1386 VanDerWaalsContact O-N 3.1Å; V1386-P1388 WeakPolarHBondContact O-CD 3.33Å; V1386-S1450 WeakPolarHBondContact CG1-O 3.44Å; V1386-V1462 HydrophobicContact CG2-CB 4.15Å; V1386-V1462 HydrophobicContact CG2-CG2 4.17Å
1387	L	44	Very low	49.8	Very low	54.4 Å²	54.4	58.7 Å²	58.7	29%	0.285	33%	0.331	S	S	.	.			trans	-77.6	149.1	176.1	-75.5	162.7	0	0	0	111.6	L1311 S1374 T1385 K1389 S1450 T1461 V1462 L1463 P1464	L1311-L1387 HydrophobicContact CD1-CD2 4.03Å; L1311-L1387 HydrophobicContact CD1-CG 4.46Å; S1374-L1387 WeakPolarHBondContact CB-O 3.49Å; T1385-L1387 HydrophobicContact CG2-CD2 4.08Å; T1385-L1387 HydrophobicContact CG2-CG 4.22Å; T1385-L1387 PolarHBondContact O-N 2.92Å; T1385-L1387 VanDerWaalsContact O-N 3.07Å; L1387-K1389 PolarHBondContact O-N 2.86Å; L1387-S1450 WeakPolarHBondContact O-CB 3.25Å; L1387-S1450 PolarHBondContact O-N 2.73Å; L1387-T1461 HydrophobicContact CD1-CG2 3.55Å; L1387-T1461 VanDerWaalsContact CD1-CG2 3.49Å; L1387-V1462 WeakPolarHBondContact CB-O 3.38Å; L1387-V1462 PolarHBondContact N-O 3.35Å; L1387-V1462 VanDerWaalsContact N-O 3.15Å; L1387-L1463 HydrophobicContact CD1-CB 3.86Å; L1387-L1463 HydrophobicContact CD1-CD2 3.99Å; L1387-L1463 HydrophobicContact CD1-CG 4.42Å; L1387-P1464 HydrophobicContact CB-CB 4.18Å; L1387-P1464 HydrophobicContact CB-CG 4.2Å
1388	P	44.9	Very low	51.5	Low	31.6 Å²	31.6	57.5 Å²	57.5	21%	0.205	33%	0.325	C	S	.	.			trans	-76.8	136.6	-164.4	28.9	-34	0	0	0	114.1	E1261 V1310 L1311 P1312 N1372 T1373 V1386 T1390 N1448 P1464	E1261-P1388 WeakPolarHBondContact OE1-CG 3.42Å; V1310-P1388 HydrophobicContact CG1-CG 4.41Å; L1311-P1388 HydrophobicContact CB-CB 4.18Å; L1311-P1388 HydrophobicContact CB-CG 4.19Å; L1311-P1388 HydrophobicContact CD2-CB 3.89Å; L1311-P1388 WeakPolarHBondContact O-CG 3.37Å; P1312-P1388 WeakPolarHBondContact O-CB 3.37Å; N1372-P1388 CarbonylContact C-O 3.27Å; N1372-P1388 WeakPolarHBondContact CA-O 3.42Å; N1372-P1388 HydrophobicContact CB-CB 3.79Å; N1372-P1388 HydrophobicContact CB-CG 3.49Å; N1372-P1388 VanDerWaalsContact CB-CG 3.49Å; N1372-P1388 WeakPolarHBondContact CB-O 3.48Å; T1373-P1388 VanDerWaalsContact C-C 3.44Å; T1373-P1388 PolarHBondContact N-O 3.4Å; V1386-P1388 WeakPolarHBondContact O-CD 3.33Å; P1388-T1390 PolarHBondContact O-N 3.07Å; P1388-N1448 VanDerWaalsContact C-C 3.49Å; P1388-N1448 CarbonylContact C-O 3.53Å; P1388-N1448 CarbonylContact O-C 3.23Å; P1388-N1448 WeakPolarHBondContact O-CB 3.11Å; P1388-P1464 WeakPolarHBondContact O-CB 3.4Å
1389	K	53.1	Low	53.2	Low	85.4 Å²	85.4	55.6 Å²	55.6	37%	0.371	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-77.9	113.7	177.6	-137.8	-178.4	-178.1	177	0	112.8	K1313 T1314 T1373 S1374 L1387 T1391 N1448 T1449 K1465 T1466 T1467	K1313-K1389 HydrophobicContact CD-CD 4.09Å; K1313-K1389 HydrophobicContact CD-CG 4.27Å; K1313-K1389 WeakPolarHBondContact CD-O 3.22Å; K1313-K1389 WeakPolarHBondContact CE-O 3.28Å; K1313-K1389 HydrophobicContact CG-CB 4.26Å; K1313-K1389 WeakPolarHBondContact CG-O 3.23Å; T1314-K1389 PolarHBondContact N-O 2.81Å; T1373-K1389 CarbonylContact C-O 3.36Å; T1373-K1389 WeakPolarHBondContact CA-O 3.34Å; T1373-K1389 PolarHBondContact N-O 2.76Å; T1373-K1389 CarbonylContact O-C 3.59Å; T1373-K1389 VanDerWaalsContact O-C 3.26Å; T1373-K1389 VanDerWaalsContact O-CA 3.24Å; T1373-K1389 WeakPolarHBondContact O-CA 3.1Å; T1373-K1389 VanDerWaalsContact O-CB 3.31Å; T1373-K1389 WeakPolarHBondContact O-CB 3.08Å; T1373-K1389 PolarHBondContact O-N 2.73Å; S1374-K1389 VanDerWaalsContact CB-N 3.35Å; L1387-K1389 PolarHBondContact O-N 2.86Å; K1389-T1391 VanDerWaalsContact CE-OG1 3.27Å; K1389-T1391 WeakPolarHBondContact CE-OG1 3.29Å; K1389-T1391 PolarHBondContact NZ-OG1 3.1Å; K1389-T1391 PolarHBondContact O-N 3.22Å; K1389-N1448 PolarHBondContact N-O 3.05Å; K1389-T1449 HydrophobicContact CB-CG2 4.01Å; K1389-T1449 HydrophobicContact CD-CG2 3.62Å; K1389-T1449 WeakPolarHBondContact CD-OG1 3.33Å; K1389-T1449 WeakPolarHBondContact CE-OG1 3.32Å; K1389-T1449 HydrophobicContact CG-CG2 4.15Å; K1389-T1449 WeakPolarHBondContact CG-OG1 3.35Å; K1389-T1449 PolarHBondContact NZ-OG1 3.15Å; K1389-K1465 HydrophobicContact CG-CB 4.45Å; K1389-K1465 WeakPolarHBondContact CG-O 3.36Å; K1389-T1466 PolarHBondContact NZ-OG1 2.91Å; K1389-T1467 PolarHBondContact NZ-OG1 2.86Å
1390	T	62.5	Low	54.8	Low	19.6 Å²	19.6	53.8 Å²	53.8	12%	0.12	31%	0.307	C	S	.	.			trans	-96.1	152.3	164.5	-43.5	0	0	0	0	110.1	K1313 T1314 F1316 E1371 N1372 P1388 F1392 E1447 K1465 T1466 T1467	K1313-T1390 PolarHBondContact NZ-O 2.88Å; T1314-T1390 WeakPolarHBondContact CB-OG1 3.11Å; T1314-T1390 HydrophobicContact CG2-CG2 3.74Å; T1314-T1390 WeakPolarHBondContact CG2-OG1 3.16Å; T1314-T1390 WeakPolarHBondContact O-CA 3.2Å; F1316-T1390 HydrophobicContact CD2-CG2 4.34Å; F1316-T1390 HydrophobicContact CE2-CG2 4.31Å; E1371-T1390 HydrophobicContact CB-CG2 3.85Å; E1371-T1390 HydrophobicContact CG-CG2 3.76Å; E1371-T1390 VanDerWaalsContact OE1-CB 3.29Å; E1371-T1390 WeakPolarHBondContact OE1-CB 2.98Å; E1371-T1390 VanDerWaalsContact OE1-CG2 3.26Å; E1371-T1390 WeakPolarHBondContact OE1-CG2 3.27Å; E1371-T1390 PolarHBondContact OE1-OG1 3.27Å; N1372-T1390 WeakPolarHBondContact CA-OG1 3.26Å; N1372-T1390 PolarHBondContact N-OG1 3.2Å; P1388-T1390 PolarHBondContact O-N 3.07Å; T1390-F1392 HydrophobicContact CG2-CD2 4.17Å; T1390-F1392 HydrophobicContact CG2-CE1 4.49Å; T1390-F1392 HydrophobicContact CG2-CE2 3.5Å; T1390-F1392 VanDerWaalsContact CG2-CE2 3.5Å; T1390-F1392 HydrophobicContact CG2-CZ 3.99Å; T1390-F1392 WeakPolarHBondContact OG1-CE2 3.49Å; T1390-F1392 WeakPolarHBondContact OG1-CZ 3.47Å; T1390-E1447 VanDerWaalsContact C-CD 3.44Å; T1390-E1447 VanDerWaalsContact C-OE2 3.26Å; T1390-E1447 WeakPolarHBondContact CA-OE1 3.34Å; T1390-E1447 WeakPolarHBondContact CA-OE2 3.36Å; T1390-E1447 WeakPolarHBondContact CB-OE1 3.47Å; T1390-E1447 VanDerWaalsContact CB-OE2 3.31Å; T1390-E1447 WeakPolarHBondContact CB-OE2 3.5Å; T1390-E1447 VanDerWaalsContact CG2-OE1 3.3Å; T1390-E1447 WeakPolarHBondContact CG2-OE1 3.09Å; T1390-E1447 PolarHBondContact N-OE2 3.4Å; T1390-K1465 PolarHBondContact N-O 2.84Å; T1390-T1466 WeakPolarHBondContact O-CA 3.47Å; T1390-T1466 WeakPolarHBondContact O-CG2 3.5Å; T1390-T1466 PolarHBondContact O-OG1 3.2Å; T1390-T1466 VanDerWaalsContact O-OG1 3.07Å; T1390-T1467 PolarHBondContact O-N 3.17Å
1391	T	62.9	Low	56.5	Low	29 Å²	29	49 Å²	49	18%	0.178	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	138	170	15.5	0	0	0	0	108.1	K1313 T1315 F1316 K1389 D1393 E1447 T1466 T1467	K1313-T1391 PolarHBondContact NZ-OG1 3.36Å; T1315-T1391 CarbonylContact C-O 3.26Å; T1315-T1391 WeakPolarHBondContact CA-O 3.39Å; T1315-T1391 WeakPolarHBondContact CG2-OG1 3.41Å; F1316-T1391 PolarHBondContact N-O 2.99Å; F1316-T1391 VanDerWaalsContact N-O 3.12Å; K1389-T1391 VanDerWaalsContact CE-OG1 3.27Å; K1389-T1391 WeakPolarHBondContact CE-OG1 3.29Å; K1389-T1391 PolarHBondContact NZ-OG1 3.1Å; K1389-T1391 PolarHBondContact O-N 3.22Å; T1391-D1393 VanDerWaalsContact C-OD1 3.31Å; T1391-D1393 WeakPolarHBondContact CB-OD1 3.31Å; T1391-D1393 WeakPolarHBondContact CB-OD2 3.31Å; T1391-D1393 PolarHBondContact OG1-OD1 3.33Å; T1391-E1447 VanDerWaalsContact CA-OE1 3.29Å; T1391-E1447 WeakPolarHBondContact CA-OE1 3.05Å; T1391-E1447 PolarHBondContact N-OE1 3.47Å; T1391-E1447 VanDerWaalsContact N-OE1 3.16Å; T1391-T1466 HydrophobicContact CG2-CG2 4.07Å; T1391-T1467 WeakPolarHBondContact CA-O 3.4Å; T1391-T1467 WeakPolarHBondContact CB-OG1 3.48Å; T1391-T1467 VanDerWaalsContact CG2-OG1 3.28Å; T1391-T1467 WeakPolarHBondContact CG2-OG1 3.15Å; T1391-T1467 PolarHBondContact OG1-OG1 3.09Å
1392	F	69.9	Low	58.2	Low	37.4 Å²	37.4	49.3 Å²	49.3	16%	0.164	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	120.7	179.6	-70.7	-81.7	0	0	0	108.2	S1293 F1316 V1319 E1371 T1390 V1395 R1443 T1466 T1467 F1468 D1469	S1293-F1392 WeakPolarHBondContact OG-CZ 3.44Å; F1316-F1392 HydrophobicContact CB-CB 4.14Å; F1316-F1392 HydrophobicContact CB-CD1 3.78Å; F1316-F1392 VanDerWaalsContact CB-CD1 3.43Å; F1316-F1392 HydrophobicContact CB-CD2 4.28Å; F1316-F1392 HydrophobicContact CB-CE1 4.13Å; F1316-F1392 HydrophobicContact CB-CG 3.69Å; F1316-F1392 HydrophobicContact CB-CZ 4.37Å; F1316-F1392 HydrophobicContact CD1-CE1 4.38Å; F1316-F1392 HydrophobicContact CD1-CZ 4.5Å; F1316-F1392 AromaticContact CD2-CD1 3.63Å; F1316-F1392 HydrophobicContact CD2-CD1 3.63Å; F1316-F1392 VanDerWaalsContact CD2-CD1 3.48Å; F1316-F1392 AromaticContact CD2-CE1 3.31Å; F1316-F1392 HydrophobicContact CD2-CE1 3.31Å; F1316-F1392 VanDerWaalsContact CD2-CE1 3.43Å; F1316-F1392 HydrophobicContact CD2-CG 4.37Å; F1316-F1392 AromaticContact CD2-CZ 3.9Å; F1316-F1392 HydrophobicContact CD2-CZ 4.05Å; F1316-F1392 HydrophobicContact CE2-CD1 4.38Å; F1316-F1392 AromaticContact CE2-CE1 3.68Å; F1316-F1392 HydrophobicContact CE2-CE1 3.68Å; F1316-F1392 VanDerWaalsContact CE2-CE1 3.49Å; F1316-F1392 AromaticContact CE2-CZ 3.88Å; F1316-F1392 HydrophobicContact CE2-CZ 3.98Å; F1316-F1392 AromaticContact CG-CD1 3.84Å; F1316-F1392 HydrophobicContact CG-CD1 4.05Å; F1316-F1392 AromaticContact CG-CE1 3.83Å; F1316-F1392 HydrophobicContact CG-CE1 4.01Å; F1316-F1392 HydrophobicContact CG-CG 4.45Å; F1316-F1392 HydrophobicContact CG-CZ 4.33Å; F1316-F1392 HydrophobicContact CZ-CE1 4.36Å; F1316-F1392 CarbonylContact O-C 3.14Å; F1316-F1392 WeakPolarHBondContact O-CA 3.24Å; V1319-F1392 HydrophobicContact CG1-CE1 4.27Å; V1319-F1392 HydrophobicContact CG2-CD1 4.08Å; V1319-F1392 HydrophobicContact CG2-CE1 4.15Å; E1371-F1392 HydrophobicContact CB-CD2 4.45Å; E1371-F1392 HydrophobicContact CG-CD2 3.8Å; E1371-F1392 HydrophobicContact CG-CE2 4.14Å; T1390-F1392 HydrophobicContact CG2-CD2 4.17Å; T1390-F1392 HydrophobicContact CG2-CE1 4.49Å; T1390-F1392 HydrophobicContact CG2-CE2 3.5Å; T1390-F1392 VanDerWaalsContact CG2-CE2 3.5Å; T1390-F1392 HydrophobicContact CG2-CZ 3.99Å; T1390-F1392 WeakPolarHBondContact OG1-CE2 3.49Å; T1390-F1392 WeakPolarHBondContact OG1-CZ 3.47Å; F1392-V1395 HydrophobicContact CB-CG2 3.48Å; F1392-V1395 HydrophobicContact CD1-CG2 3.76Å; F1392-V1395 VanDerWaalsContact CD1-CG2 3.46Å; F1392-V1395 HydrophobicContact CD2-CG2 3.92Å; F1392-V1395 HydrophobicContact CE1-CG2 4.14Å; F1392-V1395 HydrophobicContact CG-CG2 3.73Å; F1392-V1395 WeakPolarHBondContact O-CG2 3.07Å; F1392-R1443 VanDerWaalsContact O-CZ 3.27Å; F1392-R1443 PolarHBondContact O-NH1 3.04Å; F1392-R1443 PolarHBondContact O-NH2 2.86Å; F1392-T1466 HydrophobicContact CD2-CG2 4.42Å; F1392-T1466 HydrophobicContact CE2-CG2 4.29Å; F1392-T1467 PolarHBondContact N-O 2.84Å; F1392-F1468 HydrophobicContact CB-CD1 3.79Å; F1392-F1468 HydrophobicContact CB-CE1 4.14Å; F1392-F1468 HydrophobicContact CB-CZ 4.48Å; F1392-F1468 AromaticContact CD2-CD1 3.62Å; F1392-F1468 HydrophobicContact CD2-CD1 3.62Å; F1392-F1468 AromaticContact CD2-CE1 3.25Å; F1392-F1468 HydrophobicContact CD2-CE1 3.25Å; F1392-F1468 HydrophobicContact CD2-CG 4.44Å; F1392-F1468 AromaticContact CD2-CZ 3.88Å; F1392-F1468 HydrophobicContact CD2-CZ 3.88Å; F1392-F1468 HydrophobicContact CE2-CD1 4.4Å; F1392-F1468 AromaticContact CE2-CE1 3.64Å; F1392-F1468 HydrophobicContact CE2-CE1 3.64Å; F1392-F1468 AromaticContact CE2-CZ 3.91Å; F1392-F1468 HydrophobicContact CE2-CZ 3.95Å; F1392-F1468 AromaticContact CG-CD1 3.91Å; F1392-F1468 HydrophobicContact CG-CD1 3.91Å; F1392-F1468 AromaticContact CG-CE1 3.82Å; F1392-F1468 HydrophobicContact CG-CE1 3.82Å; F1392-F1468 HydrophobicContact CZ-CE1 4.43Å; F1392-F1468 WeakPolarHBondContact O-CA 3.09Å; F1392-D1469 PolarHBondContact O-N 2.94Å; F1392-D1469 VanDerWaalsContact O-N 3.08Å
1393	D	76	Confident	59.8	Low	60 Å²	60	44 Å²	44	32%	0.321	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	-53.6	-173.4	-100.3	8.4	0	0	0	109.4	F1316 D1317 V1318 T1391 V1395 D1469 V1470	F1316-D1393 PolarHBondContact O-N 3.08Å; F1316-D1393 VanDerWaalsContact O-N 3.12Å; D1317-D1393 WeakPolarHBondContact O-CB 3.36Å; D1317-D1393 PolarHBondContact O-N 2.97Å; V1318-D1393 PolarHBondContact N-O 2.96Å; T1391-D1393 VanDerWaalsContact C-OD1 3.31Å; T1391-D1393 WeakPolarHBondContact CB-OD1 3.31Å; T1391-D1393 WeakPolarHBondContact CB-OD2 3.31Å; T1391-D1393 PolarHBondContact OG1-OD1 3.33Å; D1393-V1395 PolarHBondContact O-N 2.72Å; D1393-D1469 WeakPolarHBondContact O-CB 3.48Å; D1393-V1470 PolarHBondContact O-N 3.49Å
1394	V	73.4	Confident	60.9	Low	56.2 Å²	56.2	42.8 Å²	42.8	34%	0.341	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	105.4	-178.1	-173	0	0	0	0	111.1	D1317 V1318 V1319 D1469 V1470 V1471	D1317-V1394 WeakPolarHBondContact O-CA 3.31Å; D1317-V1394 WeakPolarHBondContact O-CB 3.43Å; D1317-V1394 WeakPolarHBondContact O-CG2 3.48Å; D1317-V1394 PolarHBondContact O-N 2.92Å; V1318-V1394 WeakPolarHBondContact CA-O 2.99Å; V1318-V1394 HydrophobicContact CB-CG2 4.45Å; V1318-V1394 HydrophobicContact CG1-CB 4.33Å; V1318-V1394 HydrophobicContact CG1-CG1 4.35Å; V1318-V1394 HydrophobicContact CG2-CB 4.41Å; V1318-V1394 WeakPolarHBondContact O-CA 3.35Å; V1319-V1394 PolarHBondContact N-O 2.9Å; V1394-D1469 PolarHBondContact N-O 3.02Å; V1394-V1470 WeakPolarHBondContact CA-O 3.47Å; V1394-V1470 HydrophobicContact CB-CG2 4.47Å; V1394-V1470 HydrophobicContact CG2-CB 4.42Å; V1394-V1470 WeakPolarHBondContact O-CA 3.46Å; V1394-V1471 PolarHBondContact O-N 2.86Å
1395	V	74.6	Confident	62	Low	17.2 Å²	17.2	44.9 Å²	44.9	10%	0.104	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	119	177.6	-175.6	0	0	0	0	110.2	V1318 V1319 T1320 F1392 D1393 Q1397 F1468 V1470 V1471 T1472	V1318-V1395 PolarHBondContact O-N 3.32Å; V1319-V1395 CarbonylContact C-O 3.54Å; V1319-V1395 WeakPolarHBondContact CA-O 3.34Å; V1319-V1395 HydrophobicContact CB-CG1 4.39Å; V1319-V1395 HydrophobicContact CB-CG2 4.3Å; V1319-V1395 HydrophobicContact CG1-CG1 4.36Å; V1319-V1395 WeakPolarHBondContact O-CA 2.99Å; T1320-V1395 PolarHBondContact N-O 3.18Å; F1392-V1395 HydrophobicContact CB-CG2 3.48Å; F1392-V1395 HydrophobicContact CD1-CG2 3.76Å; F1392-V1395 VanDerWaalsContact CD1-CG2 3.46Å; F1392-V1395 HydrophobicContact CD2-CG2 3.92Å; F1392-V1395 HydrophobicContact CE1-CG2 4.14Å; F1392-V1395 HydrophobicContact CG-CG2 3.73Å; F1392-V1395 WeakPolarHBondContact O-CG2 3.07Å; D1393-V1395 PolarHBondContact O-N 2.72Å; V1395-Q1397 HydrophobicContact CB-CG 4.21Å; V1395-Q1397 HydrophobicContact CG1-CG 4.19Å; V1395-Q1397 PolarHBondContact O-N 3.34Å; V1395-Q1397 PolarHBondContact O-NE2 3.31Å; V1395-F1468 HydrophobicContact CG2-CD1 3.96Å; V1395-F1468 HydrophobicContact CG2-CE1 4.28Å; V1395-V1470 PolarHBondContact N-O 3.48Å; V1395-V1471 WeakPolarHBondContact CA-O 3.4Å; V1395-V1471 WeakPolarHBondContact O-CA 3.46Å; V1395-T1472 PolarHBondContact O-N 3.45Å
1396	T	72.8	Confident	62.9	Low	51.4 Å²	51.4	42.7 Å²	42.7	32%	0.315	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	115.9	172.6	-58.5	0	0	0	0	110.4	V1319 T1320 Q1321 V1471 T1472 Q1473	V1319-T1396 WeakPolarHBondContact O-CB 3.46Å; V1319-T1396 PolarHBondContact O-N 3.13Å; T1320-T1396 WeakPolarHBondContact CA-O 3.03Å; T1320-T1396 CarbonylContact O-C 3.59Å; T1320-T1396 WeakPolarHBondContact O-CA 3.21Å; Q1321-T1396 PolarHBondContact N-O 3.39Å; T1396-V1471 PolarHBondContact N-O 2.76Å; T1396-T1472 WeakPolarHBondContact CA-O 3.33Å; T1396-T1472 CarbonylContact O-C 3.59Å; T1396-T1472 WeakPolarHBondContact O-CA 3.38Å; T1396-Q1473 PolarHBondContact O-N 3.04Å
1397	Q	69.8	Low	63.6	Low	50.4 Å²	50.4	42.5 Å²	42.5	24%	0.236	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	131.5	178.3	-81.6	174.5	24.1	0	0	110.7	T1320 Q1321 S1322 V1395 T1441 R1443 T1472 Q1473 S1474	T1320-Q1397 PolarHBondContact O-N 3.04Å; Q1321-Q1397 CarbonylContact C-O 3.54Å; Q1321-Q1397 WeakPolarHBondContact CA-O 3.29Å; Q1321-Q1397 HydrophobicContact CB-CG 4.16Å; Q1321-Q1397 HydrophobicContact CG-CB 4.41Å; Q1321-Q1397 CarbonylContact O-C 3.6Å; Q1321-Q1397 WeakPolarHBondContact O-CA 3.33Å; Q1321-Q1397 VanDerWaalsContact OE1-NE2 3.09Å; S1322-Q1397 PolarHBondContact N-O 3.07Å; V1395-Q1397 HydrophobicContact CB-CG 4.21Å; V1395-Q1397 HydrophobicContact CG1-CG 4.19Å; V1395-Q1397 PolarHBondContact O-N 3.34Å; V1395-Q1397 PolarHBondContact O-NE2 3.31Å; Q1397-T1441 VanDerWaalsContact C-CG2 3.47Å; Q1397-T1441 HydrophobicContact CB-CG2 3.63Å; Q1397-T1441 VanDerWaalsContact O-CG2 3.28Å; Q1397-T1441 WeakPolarHBondContact O-CG2 3.04Å; Q1397-R1443 HydrophobicContact CG-CB 3.78Å; Q1397-R1443 HydrophobicContact CG-CG 4.49Å; Q1397-T1472 PolarHBondContact N-O 2.91Å; Q1397-T1472 PolarHBondContact NE2-OG1 2.99Å; Q1397-T1472 PolarHBondContact OE1-O 3.38Å; Q1397-Q1473 CarbonylContact C-O 3.54Å; Q1397-Q1473 WeakPolarHBondContact CA-O 3.38Å; Q1397-Q1473 HydrophobicContact CB-CG 4.5Å; Q1397-Q1473 HydrophobicContact CG-CB 4.4Å; Q1397-S1474 PolarHBondContact O-N 3.26Å; Q1397-S1474 PolarHBondContact O-OG 2.78Å
1398	S	68.8	Low	63.8	Low	42.8 Å²	42.8	42.1 Å²	42.1	30%	0.299	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	123	179.5	177	0	0	0	0	113.6	Q1321 S1322 G1323 Q1473 S1474 G1475	Q1321-S1398 WeakPolarHBondContact O-CB 3.23Å; Q1321-S1398 PolarHBondContact O-N 3.06Å; S1322-S1398 WeakPolarHBondContact CA-O 3.34Å; S1322-S1398 WeakPolarHBondContact CB-O 3.49Å; S1322-S1398 VanDerWaalsContact O-CA 3.29Å; S1322-S1398 WeakPolarHBondContact O-CA 3.26Å; S1322-S1398 WeakPolarHBondContact OG-CB 3.2Å; S1322-S1398 PolarHBondContact OG-O 3.33Å; S1322-S1398 PolarHBondContact OG-OG 3.12Å; G1323-S1398 PolarHBondContact N-O 2.78Å; S1398-Q1473 PolarHBondContact N-O 3.19Å; S1398-S1474 WeakPolarHBondContact CA-O 3.29Å; S1398-S1474 WeakPolarHBondContact CA-OG 3.45Å; S1398-S1474 WeakPolarHBondContact CB-OG 3.3Å; S1398-S1474 VanDerWaalsContact O-CA 3.31Å; S1398-S1474 WeakPolarHBondContact O-CA 3.41Å; S1398-S1474 WeakPolarHBondContact O-CB 3.29Å; S1398-S1474 PolarHBondContact O-OG 3.37Å; S1398-G1475 PolarHBondContact O-N 2.91Å; S1398-G1475 VanDerWaalsContact O-N 3.1Å
1399	G	71.4	Confident	63.6	Low	18 Å²	18	42.2 Å²	42.2	19%	0.186	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	146.1	-178.7	0	0	0	0	0	113.8	T1289 S1322 G1323 T1324 T1365 A1440 T1441 S1474 G1475 T1476	T1289-G1399 CarbonylContact O-C 3.11Å; T1289-G1399 VanDerWaalsContact O-CA 3.29Å; T1289-G1399 WeakPolarHBondContact O-CA 3.26Å; S1322-G1399 PolarHBondContact O-N 3.01Å; S1322-G1399 VanDerWaalsContact O-N 3.1Å; G1323-G1399 CarbonylContact C-O 3.55Å; G1323-G1399 WeakPolarHBondContact CA-O 3.41Å; G1323-G1399 CarbonylContact O-C 3.55Å; G1323-G1399 WeakPolarHBondContact O-CA 3.37Å; T1324-G1399 PolarHBondContact N-O 3.12Å; T1365-G1399 WeakPolarHBondContact CG2-O 3.27Å; T1365-G1399 WeakPolarHBondContact OG1-CA 3.47Å; G1399-A1440 CarbonylContact O-C 3.58Å; G1399-T1441 PolarHBondContact O-N 2.83Å; G1399-S1474 PolarHBondContact N-O 2.65Å; G1399-G1475 CarbonylContact C-O 3.56Å; G1399-G1475 VanDerWaalsContact CA-O 3.31Å; G1399-G1475 WeakPolarHBondContact CA-O 3.34Å; G1399-G1475 CarbonylContact O-C 3.49Å; G1399-G1475 WeakPolarHBondContact O-CA 3.38Å; G1399-T1476 PolarHBondContact O-N 3.08Å
1400	T	69.2	Low	63	Low	37.8 Å²	37.8	41.4 Å²	41.4	23%	0.232	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	114.2	173.5	-68.5	0	0	0	0	111.9	Q1287 A1288 T1289 G1323 T1324 V1325 Q1363 A1364 T1365 A1440 G1475 T1476 V1477	Q1287-T1400 HydrophobicContact CG-CG2 4.31Å; A1288-T1400 VanDerWaalsContact CA-CG2 3.49Å; A1288-T1400 WeakPolarHBondContact CA-O 3.48Å; A1288-T1400 WeakPolarHBondContact O-CG2 3.28Å; T1289-T1400 PolarHBondContact O-N 3.06Å; G1323-T1400 PolarHBondContact O-N 3.11Å; T1324-T1400 CarbonylContact C-O 3.54Å; T1324-T1400 VanDerWaalsContact CA-O 3.31Å; T1324-T1400 WeakPolarHBondContact CA-O 3.17Å; T1324-T1400 CarbonylContact O-C 3.57Å; T1324-T1400 WeakPolarHBondContact O-CA 3.31Å; V1325-T1400 PolarHBondContact N-O 2.88Å; Q1363-T1400 WeakPolarHBondContact CA-O 3.31Å; Q1363-T1400 HydrophobicContact CB-CG2 4.08Å; Q1363-T1400 WeakPolarHBondContact CB-O 3.48Å; Q1363-T1400 HydrophobicContact CG-CG2 4Å; A1364-T1400 PolarHBondContact N-O 3.17Å; A1364-T1400 CarbonylContact O-C 3.45Å; A1364-T1400 WeakPolarHBondContact O-CA 3.35Å; T1365-T1400 VanDerWaalsContact CB-N 3.32Å; T1365-T1400 PolarHBondContact OG1-N 2.65Å; T1400-A1440 PolarHBondContact OG1-N 2.75Å; T1400-A1440 PolarHBondContact OG1-O 2.86Å; T1400-G1475 PolarHBondContact N-O 3.12Å; T1400-T1476 WeakPolarHBondContact CA-O 3.43Å; T1400-T1476 WeakPolarHBondContact O-CA 3.27Å; T1400-V1477 PolarHBondContact O-N 3.05Å
1401	V	68.5	Low	61.8	Low	19.8 Å²	19.8	42.5 Å²	42.5	12%	0.12	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	125	179.7	178	0	0	0	0	112	T1324 V1325 H1326 S1330 Q1332 Q1363 A1364 C1403 T1476 V1477 H1478	T1324-V1401 PolarHBondContact O-N 3.04Å; V1325-V1401 CarbonylContact C-O 3.55Å; V1325-V1401 WeakPolarHBondContact CA-O 3.35Å; V1325-V1401 HydrophobicContact CB-CG2 3.66Å; V1325-V1401 HydrophobicContact CG1-CG2 3.65Å; V1325-V1401 HydrophobicContact CG2-CG2 4.16Å; H1326-V1401 PolarHBondContact N-O 3.16Å; S1330-V1401 WeakPolarHBondContact OG-CG1 3.33Å; Q1332-V1401 HydrophobicContact CG-CB 4.45Å; Q1332-V1401 HydrophobicContact CG-CG1 4.46Å; Q1332-V1401 HydrophobicContact CG-CG2 3.76Å; Q1363-V1401 CarbonylContact C-O 3.55Å; A1364-V1401 PolarHBondContact N-O 2.78Å; A1364-V1401 VanDerWaalsContact O-CA 3.3Å; A1364-V1401 WeakPolarHBondContact O-CA 3.14Å; A1364-V1401 VanDerWaalsContact O-CB 3.27Å; A1364-V1401 WeakPolarHBondContact O-CB 3.02Å; A1364-V1401 PolarHBondContact O-N 3.24Å; V1401-C1403 HydrophobicContact CG1-CB 3.72Å; V1401-C1403 WeakPolarHBondContact CG1-SG 3.28Å; V1401-T1476 PolarHBondContact N-O 3.22Å; V1401-V1477 CarbonylContact C-O 3.59Å; V1401-V1477 VanDerWaalsContact CA-O 3.28Å; V1401-V1477 WeakPolarHBondContact CA-O 2.93Å; V1401-H1478 PolarHBondContact O-N 3.24Å
1402	H	68.4	Low	60.5	Low	60 Å²	60	43.5 Å²	43.5	28%	0.278	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	124.3	175.4	-158	-85.5	0	0	0	111.1	L1196 V1272 V1286 V1325 H1326 C1327 L1362 V1477 H1478 C1479	L1196-H1402 WeakPolarHBondContact CB-O 3.13Å; L1196-H1402 HydrophobicContact CD1-CB 4.29Å; L1196-H1402 WeakPolarHBondContact CD1-ND1 3.3Å; V1272-H1402 VanDerWaalsContact CG2-CD2 3.45Å; V1272-H1402 WeakPolarHBondContact CG2-CD2 3.48Å; V1272-H1402 WeakPolarHBondContact CG2-NE2 3.29Å; V1272-H1402 PolarHBondContact O-CE1 3Å; V1286-H1402 HydrophobicContact CG1-CB 3.49Å; V1286-H1402 VanDerWaalsContact CG1-CB 3.49Å; V1325-H1402 PolarHBondContact O-N 3.5Å; H1326-H1402 WeakPolarHBondContact CA-O 3.08Å; H1326-H1402 HydrophobicContact CB-CB 4.44Å; H1326-H1402 AromaticContact CD2-CG 3.77Å; H1326-H1402 AromaticContact CD2-ND1 3.23Å; H1326-H1402 PolarHBondContact CD2-ND1 2.75Å; H1326-H1402 AromaticContact CE1-CD2 3.97Å; H1326-H1402 AromaticContact CE1-NE2 3.58Å; H1326-H1402 AromaticContact CG-CD2 3.51Å; H1326-H1402 AromaticContact CG-NE2 3.94Å; H1326-H1402 AromaticContact ND1-CD2 3.1Å; H1326-H1402 PolarHBondContact ND1-CD2 3.4Å; H1326-H1402 AromaticContact ND1-NE2 3.08Å; H1326-H1402 PolarHBondContact ND1-NE2 3.27Å; H1326-H1402 AromaticContact NE2-CE1 3.8Å; H1326-H1402 AromaticContact NE2-ND1 3.19Å; H1326-H1402 PolarHBondContact NE2-ND1 2.91Å; H1326-H1402 VanDerWaalsContact NE2-ND1 3.19Å; H1326-H1402 CarbonylContact O-C 3.59Å; H1326-H1402 WeakPolarHBondContact O-CA 3.19Å; C1327-H1402 PolarHBondContact N-O 3.31Å; L1362-H1402 VanDerWaalsContact C-CD2 3.46Å; L1362-H1402 WeakPolarHBondContact CB-CD2 3.01Å; L1362-H1402 VanDerWaalsContact CB-NE2 3.31Å; L1362-H1402 WeakPolarHBondContact CB-NE2 3.49Å; L1362-H1402 WeakPolarHBondContact O-CB 3.34Å; L1362-H1402 PolarHBondContact O-CD2 2.85Å; L1362-H1402 VanDerWaalsContact O-CD2 3.22Å; H1402-V1477 PolarHBondContact N-O 2.84Å; H1402-H1478 WeakPolarHBondContact CA-O 3.26Å; H1402-H1478 HydrophobicContact CB-CB 4.01Å; H1402-H1478 AromaticContact CD2-CG 3.77Å; H1402-H1478 AromaticContact CD2-ND1 3.21Å; H1402-H1478 PolarHBondContact CD2-ND1 3.4Å; H1402-H1478 AromaticContact CD2-NE2 3.83Å; H1402-H1478 AromaticContact CE1-CD2 3.36Å; H1402-H1478 PolarHBondContact CE1-CD2 3.42Å; H1402-H1478 AromaticContact CE1-CE1 3.61Å; H1402-H1478 AromaticContact CE1-CG 3.88Å; H1402-H1478 AromaticContact CE1-NE2 3.53Å; H1402-H1478 AromaticContact CG-CD2 3.84Å; H1402-H1478 AromaticContact CG-CG 3.89Å; H1402-H1478 AromaticContact CG-NE2 3.89Å; H1402-H1478 AromaticContact ND1-CD2 3.48Å; H1402-H1478 PolarHBondContact ND1-CD2 2.87Å; H1402-H1478 AromaticContact ND1-CE1 3.12Å; H1402-H1478 PolarHBondContact ND1-CE1 2.93Å; H1402-H1478 AromaticContact ND1-CG 3.63Å; H1402-H1478 AromaticContact ND1-ND1 3.27Å; H1402-H1478 PolarHBondContact ND1-ND1 2.99Å; H1402-H1478 AromaticContact ND1-NE2 3.21Å; H1402-H1478 PolarHBondContact ND1-NE2 2.8Å; H1402-H1478 VanDerWaalsContact ND1-NE2 3.13Å; H1402-H1478 AromaticContact NE2-CE1 3.78Å; H1402-H1478 AromaticContact NE2-ND1 3.15Å; H1402-H1478 PolarHBondContact NE2-ND1 3.39Å; H1402-H1478 VanDerWaalsContact NE2-ND1 3.15Å; H1402-H1478 CarbonylContact O-C 3.57Å; H1402-H1478 WeakPolarHBondContact O-CA 3.24Å; H1402-H1478 PolarHBondContact O-ND1 3.18Å; H1402-C1479 PolarHBondContact O-N 3.11Å
1403	C	65.4	Low	58.7	Low	18 Å²	18	46.2 Å²	46.2	12%	0.122	26%	0.261	C	S	.	.			trans	-147	149.5	-158.9	14.4	0	0	0	0	116.5	G1195 V1270 G1271 V1272 H1326 C1327 A1328 Q1329 S1330 V1401 Q1405 S1406 H1478 C1479	G1195-C1403 CarbonylContact O-C 3.22Å; G1195-C1403 VanDerWaalsContact O-C 3.29Å; G1195-C1403 WeakPolarHBondContact O-CA 3.46Å; V1270-C1403 HydrophobicContact CG1-CB 3.99Å; G1271-C1403 WeakPolarHBondContact CA-O 3.24Å; G1271-C1403 WeakPolarHBondContact CA-SG 3.17Å; V1272-C1403 VanDerWaalsContact CG2-SG 3.58Å; H1326-C1403 PolarHBondContact O-N 3.22Å; C1327-C1403 WeakPolarHBondContact CA-O 3.36Å; C1327-C1403 WeakPolarHBondContact O-CA 3.21Å; C1327-C1403 VanDerWaalsContact O-CB 3.3Å; C1327-C1403 WeakPolarHBondContact O-CB 3.2Å; A1328-C1403 CarbonylContact C-O 3.45Å; A1328-C1403 WeakPolarHBondContact CA-O 3.47Å; A1328-C1403 WeakPolarHBondContact CB-O 3.28Å; A1328-C1403 VanDerWaalsContact N-CB 3.27Å; A1328-C1403 PolarHBondContact N-O 3.18Å; Q1329-C1403 HydrophobicContact CB-CB 3.5Å; Q1329-C1403 VanDerWaalsContact CB-CB 3.5Å; Q1329-C1403 VanDerWaalsContact CB-SG 3.5Å; Q1329-C1403 HydrophobicContact CG-CB 3.43Å; Q1329-C1403 VanDerWaalsContact CG-CB 3.43Å; Q1329-C1403 WeakPolarHBondContact CG-SG 3.42Å; Q1329-C1403 PolarHBondContact O-SG 2.86Å; Q1329-C1403 VanDerWaalsContact O-SG 3.35Å; Q1329-C1403 PolarHBondContact OE1-SG 3.07Å; S1330-C1403 WeakPolarHBondContact OG-CB 3.46Å; S1330-C1403 PolarHBondContact OG-SG 3.17Å; S1330-C1403 VanDerWaalsContact OG-SG 3.33Å; V1401-C1403 HydrophobicContact CG1-CB 3.72Å; V1401-C1403 WeakPolarHBondContact CG1-SG 3.28Å; C1403-Q1405 PolarHBondContact O-N 2.81Å; C1403-Q1405 PolarHBondContact SG-O 2.96Å; C1403-S1406 VanDerWaalsContact SG-CB 3.57Å; C1403-H1478 PolarHBondContact N-O 2.98Å; C1403-H1478 VanDerWaalsContact N-O 3.15Å; C1403-C1479 CarbonylContact C-O 3.56Å; C1403-C1479 WeakPolarHBondContact O-CA 3.4Å; C1403-C1479 WeakPolarHBondContact O-CB 2.96Å; C1403-C1479 VanDerWaalsContact SG-CB 3.59Å
1404	A	56.4	Low	56.6	Low	33.6 Å²	33.6	48.3 Å²	48.3	28%	0.278	26%	0.264	S	S	.	.	S	Bend	trans	-119.1	-59.3	166	0	0	0	0	0	113.7	L1196 D1197 G1271 V1272 D1273 A1328 Q1329 C1479 A1480 Q1481	L1196-A1404 HydrophobicContact CB-CB 4.28Å; L1196-A1404 HydrophobicContact CG-CB 4.09Å; D1197-A1404 WeakPolarHBondContact O-CB 3.32Å; G1271-A1404 CarbonylContact C-O 3.21Å; V1272-A1404 CarbonylContact C-O 3.51Å; V1272-A1404 WeakPolarHBondContact CA-O 3.09Å; V1272-A1404 PolarHBondContact N-O 3.17Å; V1272-A1404 WeakPolarHBondContact O-CA 3.21Å; V1272-A1404 PolarHBondContact O-N 2.75Å; D1273-A1404 PolarHBondContact N-O 3.48Å; A1328-A1404 HydrophobicContact CB-CB 3.91Å; A1328-A1404 WeakPolarHBondContact O-CA 3.24Å; A1328-A1404 WeakPolarHBondContact O-CB 3.25Å; A1328-A1404 PolarHBondContact O-N 3.46Å; Q1329-A1404 HydrophobicContact CG-CB 4.37Å; A1404-C1479 PolarHBondContact N-O 3.45Å; A1404-A1480 CarbonylContact O-C 2.94Å; A1404-A1480 WeakPolarHBondContact O-CA 3.4Å; A1404-A1480 WeakPolarHBondContact O-CB 3.38Å; A1404-A1480 PolarHBondContact O-N 3.09Å; A1404-Q1481 PolarHBondContact O-N 3.26Å; A1404-Q1481 VanDerWaalsContact O-N 3.13Å; A1404-Q1481 PolarHBondContact O-NE2 2.9Å
1405	Q	57.2	Low	54.6	Low	91.2 Å²	91.2	48.6 Å²	48.6	43%	0.426	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	145.8	-175.9	-81.4	174.7	-19.3	0	0	111.5	A1328 Q1329 S1330 L1348 C1403 Q1481 S1482	A1328-Q1405 WeakPolarHBondContact O-CG 3.4Å; A1328-Q1405 PolarHBondContact O-N 3.27Å; Q1329-Q1405 WeakPolarHBondContact CA-O 2.98Å; Q1329-Q1405 VanDerWaalsContact CB-CA 3.48Å; Q1329-Q1405 VanDerWaalsContact CG-O 3.25Å; Q1329-Q1405 WeakPolarHBondContact CG-O 3.39Å; Q1329-Q1405 VanDerWaalsContact NE2-C 3.33Å; Q1329-Q1405 PolarHBondContact NE2-O 2.92Å; Q1329-Q1405 VanDerWaalsContact NE2-OE1 3.11Å; S1330-Q1405 PolarHBondContact N-O 3.13Å; S1330-Q1405 PolarHBondContact OG-O 3.48Å; L1348-Q1405 HydrophobicContact CB-CG 4.5Å; L1348-Q1405 HydrophobicContact CD2-CG 4.06Å; L1348-Q1405 PolarHBondContact O-NE2 2.79Å; C1403-Q1405 PolarHBondContact O-N 2.81Å; C1403-Q1405 PolarHBondContact SG-O 2.96Å; Q1405-Q1481 WeakPolarHBondContact CA-O 3.24Å; Q1405-Q1481 HydrophobicContact CB-CG 4.07Å; Q1405-Q1481 HydrophobicContact CG-CB 4.45Å; Q1405-Q1481 VanDerWaalsContact NE2-OE1 3.12Å; Q1405-Q1481 VanDerWaalsContact O-CA 3.3Å; Q1405-Q1481 WeakPolarHBondContact O-CA 3.32Å; Q1405-S1482 PolarHBondContact O-N 2.97Å
1406	S	52.4	Low	52.6	Low	19 Å²	19	51.4 Å²	51.4	13%	0.133	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	146.9	-169.4	36.4	0	0	0	0	113.1	G1271 Q1329 S1330 V1331 L1348 C1403 V1477 Q1481 S1482 V1483	G1271-S1406 PolarHBondContact O-OG 3.43Å; Q1329-S1406 VanDerWaalsContact C-OG 3.29Å; Q1329-S1406 WeakPolarHBondContact CB-OG 3.42Å; S1330-S1406 WeakPolarHBondContact CA-OG 3.14Å; S1330-S1406 PolarHBondContact N-OG 3.02Å; S1330-S1406 PolarHBondContact O-OG 3.15Å; V1331-S1406 PolarHBondContact N-OG 2.89Å; L1348-S1406 WeakPolarHBondContact CB-OG 3.44Å; C1403-S1406 VanDerWaalsContact SG-CB 3.57Å; S1406-V1477 VanDerWaalsContact OG-CG1 3.23Å; S1406-V1477 WeakPolarHBondContact OG-CG1 3.28Å; S1406-Q1481 PolarHBondContact N-O 2.94Å; S1406-Q1481 VanDerWaalsContact N-O 3.09Å; S1406-Q1481 PolarHBondContact OG-O 3.14Å; S1406-S1482 CarbonylContact C-O 3.42Å; S1406-S1482 VanDerWaalsContact CA-O 3.3Å; S1406-S1482 WeakPolarHBondContact CA-O 3.43Å; S1406-S1482 CarbonylContact O-C 3.6Å; S1406-S1482 PolarHBondContact O-OG 3.11Å; S1406-S1482 WeakPolarHBondContact OG-CB 3.35Å; S1406-S1482 PolarHBondContact OG-O 3.19Å; S1406-V1483 PolarHBondContact O-N 3.08Å
1407	V	54	Low	50.5	Low	59.4 Å²	59.4	54 Å²	54	36%	0.36	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	146.8	155.6	179.4	0	0	0	0	109.5	V1268 S1269 V1270 S1330 V1331 Q1332 V1344 V1346 T1409 S1482 V1483 Q1484	V1268-V1407 HydrophobicContact CG1-CB 4.13Å; V1268-V1407 HydrophobicContact CG1-CG1 4Å; S1269-V1407 CarbonylContact O-C 3.59Å; S1269-V1407 WeakPolarHBondContact O-CA 3.05Å; V1270-V1407 WeakPolarHBondContact CA-O 3.42Å; S1330-V1407 PolarHBondContact O-N 2.8Å; V1331-V1407 HydrophobicContact CB-CB 4.39Å; V1331-V1407 HydrophobicContact CB-CG2 3.6Å; V1331-V1407 HydrophobicContact CG1-CG2 4.1Å; V1331-V1407 HydrophobicContact CG2-CG2 3.84Å; Q1332-V1407 PolarHBondContact N-O 2.87Å; V1344-V1407 WeakPolarHBondContact O-CG1 3.37Å; V1346-V1407 VanDerWaalsContact CB-C 3.42Å; V1346-V1407 VanDerWaalsContact CG1-O 3.25Å; V1346-V1407 WeakPolarHBondContact CG1-O 3.31Å; V1407-T1409 WeakPolarHBondContact CG1-OG1 3.1Å; V1407-S1482 PolarHBondContact N-O 2.87Å; V1407-V1483 WeakPolarHBondContact CA-O 3.44Å; V1407-Q1484 HydrophobicContact CG1-CB 4.33Å
1408	Q	48	Very low	48.7	Very low	46.2 Å²	46.2	56.6 Å²	56.6	22%	0.216	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	141.7	166.9	-165.2	155.6	48.3	0	0	113.7	V1268 S1269 V1270 V1331 Q1332 V1344 V1346 V1422 V1477 H1478 V1483 Q1484 T1485	V1268-Q1408 VanDerWaalsContact CG1-C 3.4Å; V1268-Q1408 WeakPolarHBondContact CG1-O 3.42Å; S1269-Q1408 WeakPolarHBondContact O-CA 3.34Å; S1269-Q1408 PolarHBondContact O-N 2.91Å; V1270-Q1408 HydrophobicContact CG2-CB 4.42Å; V1270-Q1408 HydrophobicContact CG2-CG 3.84Å; V1331-Q1408 HydrophobicContact CG1-CB 4.15Å; V1331-Q1408 HydrophobicContact CG1-CG 4.4Å; V1331-Q1408 PolarHBondContact O-N 3.34Å; Q1332-Q1408 HydrophobicContact CB-CB 4.44Å; Q1332-Q1408 HydrophobicContact CB-CG 4.15Å; Q1332-Q1408 VanDerWaalsContact CD-CD 3.48Å; Q1332-Q1408 HydrophobicContact CG-CG 4.41Å; V1344-Q1408 WeakPolarHBondContact CB-O 3.41Å; V1344-Q1408 WeakPolarHBondContact CG1-O 3.19Å; V1346-Q1408 HydrophobicContact CB-CB 4.02Å; V1346-Q1408 HydrophobicContact CG1-CB 4.18Å; V1346-Q1408 HydrophobicContact CG2-CB 3.55Å; Q1408-V1422 HydrophobicContact CB-CB 4.26Å; Q1408-V1422 HydrophobicContact CB-CG2 4.07Å; Q1408-V1422 VanDerWaalsContact CB-O 3.28Å; Q1408-V1422 WeakPolarHBondContact CB-O 3.27Å; Q1408-V1422 HydrophobicContact CG-CB 3.93Å; Q1408-V1422 HydrophobicContact CG-CG2 4.06Å; Q1408-V1422 WeakPolarHBondContact CG-O 3.18Å; Q1408-V1422 PolarHBondContact NE2-O 3.34Å; Q1408-V1477 HydrophobicContact CG-CG1 3.56Å; Q1408-H1478 PolarHBondContact NE2-O 2.8Å; Q1408-H1478 PolarHBondContact OE1-O 3.2Å; Q1408-V1483 PolarHBondContact N-O 3.23Å; Q1408-V1483 VanDerWaalsContact N-O 3.16Å; Q1408-Q1484 VanDerWaalsContact O-O 3.09Å; Q1408-T1485 PolarHBondContact O-N 3.08Å; Q1408-T1485 VanDerWaalsContact O-N 3.15Å
1409	T	41.8	Very low	46.9	Very low	34.8 Å²	34.8	58.3 Å²	58.3	21%	0.213	31%	0.312	C	S	.	.			trans	-161	146.1	158.6	-40.3	0	0	0	0	114.2	V1268 Q1332 V1344 M1366 V1407 Q1484 T1485	V1268-T1409 HydrophobicContact CB-CG2 3.96Å; V1268-T1409 HydrophobicContact CG1-CG2 3.66Å; V1268-T1409 HydrophobicContact CG2-CG2 3.83Å; Q1332-T1409 PolarHBondContact O-N 2.73Å; V1344-T1409 HydrophobicContact CB-CG2 4.3Å; V1344-T1409 HydrophobicContact CG1-CG2 4.39Å; V1344-T1409 HydrophobicContact CG2-CG2 4.04Å; M1366-T1409 WeakPolarHBondContact CE-O 3.47Å; V1407-T1409 WeakPolarHBondContact CG1-OG1 3.1Å; T1409-Q1484 PolarHBondContact OG1-O 3.08Å; T1409-T1485 HydrophobicContact CG2-CG2 4.36Å
1410	I	39	Very low	45.1	Very low	67.8 Å²	67.8	61.2 Å²	61.2	35%	0.348	33%	0.326	S	S	.	.			trans	-100.3	146.4	166.7	-47.2	155.8	0	0	0	110.5	I1334 M1366 V1420 V1422 M1442 V1477 T1485 P1487 M1518	I1334-I1410 VanDerWaalsContact CG1-C 3.47Å; I1334-I1410 WeakPolarHBondContact CG1-O 3.41Å; I1334-I1410 PolarHBondContact N-O 2.83Å; M1366-I1410 HydrophobicContact CG-CB 4.47Å; M1366-I1410 HydrophobicContact CG-CG2 3.9Å; M1366-I1410 WeakPolarHBondContact CG-O 3.32Å; M1366-I1410 HydrophobicContact SD-CB 4.38Å; M1366-I1410 HydrophobicContact SD-CG2 3.57Å; M1366-I1410 VanDerWaalsContact SD-CG2 3.57Å; I1410-V1420 HydrophobicContact CD1-CG1 4.22Å; I1410-V1422 HydrophobicContact CD1-CB 4.38Å; I1410-V1422 HydrophobicContact CD1-CG1 3.94Å; I1410-V1422 HydrophobicContact CD1-CG2 3.65Å; I1410-V1422 HydrophobicContact CG1-CB 4.3Å; I1410-V1422 HydrophobicContact CG1-CG1 3.87Å; I1410-V1422 HydrophobicContact CG1-CG2 3.95Å; I1410-M1442 HydrophobicContact CG2-CE 3.65Å; I1410-V1477 HydrophobicContact CG1-CG1 4.34Å; I1410-V1477 HydrophobicContact CG1-CG2 4.17Å; I1410-V1477 HydrophobicContact CG2-CG2 3.69Å; I1410-T1485 WeakPolarHBondContact CD1-O 3.04Å; I1410-P1487 HydrophobicContact CB-CG 4.32Å; I1410-P1487 HydrophobicContact CD1-CG 4.17Å; I1410-P1487 HydrophobicContact CG2-CG 4.05Å; I1410-P1487 WeakPolarHBondContact O-CB 3.05Å; I1410-P1487 WeakPolarHBondContact O-CD 3.36Å; I1410-P1487 WeakPolarHBondContact O-CG 3.49Å; I1410-M1518 HydrophobicContact CD1-CE 3.8Å; I1410-M1518 HydrophobicContact CD1-SD 4.33Å; I1410-M1518 HydrophobicContact CG1-CE 3.96Å; I1410-M1518 HydrophobicContact CG1-CG 4.39Å; I1410-M1518 HydrophobicContact CG1-SD 3.8Å; I1410-M1518 HydrophobicContact CG2-CB 4.4Å; I1410-M1518 HydrophobicContact CG2-CG 4.45Å
1411	P	39.1	Very low	43.2	Very low	43 Å²	43	64.4 Å²	64.4	28%	0.279	34%	0.342	S	S	.	.			trans	-92.4	164.6	160.7	25.1	-21.9	0	0	0	113.6	I1334 P1335 E1336 E1413 I1486 P1487 Q1520	I1334-P1411 HydrophobicContact CB-CB 4.26Å; I1334-P1411 HydrophobicContact CB-CG 4.45Å; I1334-P1411 HydrophobicContact CD1-CG 4.07Å; I1334-P1411 HydrophobicContact CG1-CB 3.96Å; I1334-P1411 HydrophobicContact CG1-CG 4Å; I1334-P1411 HydrophobicContact CG2-CG 4.31Å; I1334-P1411 WeakPolarHBondContact O-CA 3.49Å; I1334-P1411 VanDerWaalsContact O-CB 3.26Å; I1334-P1411 WeakPolarHBondContact O-CB 3.2Å; I1334-P1411 VanDerWaalsContact O-CD 3.28Å; I1334-P1411 WeakPolarHBondContact O-CD 3.28Å; I1334-P1411 WeakPolarHBondContact O-CG 3.3Å; P1335-P1411 VanDerWaalsContact C-CB 3.44Å; P1335-P1411 HydrophobicContact CG-CB 3.54Å; P1335-P1411 HydrophobicContact CG-CG 3.54Å; P1335-P1411 VanDerWaalsContact CG-O 3.24Å; P1335-P1411 WeakPolarHBondContact CG-O 3.38Å; P1335-P1411 WeakPolarHBondContact O-CB 3.29Å; P1335-P1411 WeakPolarHBondContact O-CG 3.33Å; E1336-P1411 HydrophobicContact CG-CB 4.45Å; P1411-E1413 HydrophobicContact CG-CB 4.41Å; P1411-I1486 WeakPolarHBondContact CD-O 3.31Å; P1411-I1486 WeakPolarHBondContact CG-O 3.07Å; P1411-P1487 VanDerWaalsContact C-CB 3.4Å; P1411-P1487 HydrophobicContact CG-CG 4.11Å; P1411-P1487 WeakPolarHBondContact O-CB 3.31Å; P1411-P1487 WeakPolarHBondContact O-CG 3.34Å; P1411-Q1520 HydrophobicContact CG-CB 3.74Å; P1411-Q1520 HydrophobicContact CG-CG 4.02Å
1412	E	34.3	Very low	41.5	Very low	50 Å²	50	67.4 Å²	67.4	23%	0.234	36%	0.36	C	S	.	.			trans	-93.3	128.5	154.4	-155.9	-169	143.8	0	0	112	E1336 E1337 R1338 V1344 R1414 F1417 H1418 T1419 V1420 E1488 R1490	E1336-E1412 WeakPolarHBondContact CA-O 3.33Å; E1336-E1412 HydrophobicContact CB-CG 3.92Å; E1336-E1412 WeakPolarHBondContact CB-O 3.31Å; E1336-E1412 VanDerWaalsContact CG-O 3.28Å; E1336-E1412 WeakPolarHBondContact CG-O 3.42Å; E1336-E1412 PolarHBondContact N-O 3.13Å; E1337-E1412 PolarHBondContact N-OE2 3.03Å; E1337-E1412 VanDerWaalsContact N-OE2 3.16Å; R1338-E1412 VanDerWaalsContact CG-OE1 3.25Å; R1338-E1412 WeakPolarHBondContact CG-OE1 3.47Å; V1344-E1412 WeakPolarHBondContact CG2-OE2 3.25Å; E1412-R1414 VanDerWaalsContact CD-CZ 3.48Å; E1412-R1414 VanDerWaalsContact CD-NH1 3.34Å; E1412-R1414 VanDerWaalsContact CD-NH2 3.3Å; E1412-R1414 HydrophobicContact CG-CG 4.26Å; E1412-R1414 WeakPolarHBondContact O-CG 3.41Å; E1412-R1414 PolarHBondContact O-N 2.71Å; E1412-R1414 PolarHBondContact O-NE 3.42Å; E1412-R1414 IonicContact OE1-CZ 3.22Å; E1412-R1414 VanDerWaalsContact OE1-CZ 3.26Å; E1412-R1414 IonicContact OE1-NE 2.88Å; E1412-R1414 PolarHBondContact OE1-NE 3.03Å; E1412-R1414 IonicContact OE1-NH1 3.35Å; E1412-R1414 PolarHBondContact OE1-NH1 2.97Å; E1412-R1414 IonicContact OE1-NH2 3.47Å; E1412-R1414 PolarHBondContact OE1-NH2 3.01Å; E1412-R1414 IonicContact OE2-CZ 3.22Å; E1412-R1414 IonicContact OE2-NE 3.03Å; E1412-R1414 PolarHBondContact OE2-NE 3.14Å; E1412-R1414 IonicContact OE2-NH1 2.66Å; E1412-R1414 PolarHBondContact OE2-NH1 3.06Å; E1412-R1414 IonicContact OE2-NH2 3.12Å; E1412-R1414 PolarHBondContact OE2-NH2 3.14Å; E1412-F1417 HydrophobicContact CG-CB 4.11Å; E1412-F1417 HydrophobicContact CG-CD1 4.19Å; E1412-F1417 WeakPolarHBondContact OE1-CB 3.32Å; E1412-H1418 WeakPolarHBondContact OE1-CA 3.45Å; E1412-H1418 PolarHBondContact OE1-N 2.84Å; E1412-H1418 VanDerWaalsContact OE1-N 3.09Å; E1412-T1419 PolarHBondContact OE1-N 3.46Å; E1412-T1419 VanDerWaalsContact OE2-CA 3.3Å; E1412-T1419 WeakPolarHBondContact OE2-CA 3.36Å; E1412-T1419 PolarHBondContact OE2-N 3.05Å; E1412-V1420 HydrophobicContact CB-CB 4.44Å; E1412-V1420 HydrophobicContact CB-CG2 4.24Å; E1412-V1420 HydrophobicContact CG-CB 4.35Å; E1412-V1420 HydrophobicContact CG-CG2 3.9Å; E1412-E1488 VanDerWaalsContact CG-O 3.27Å; E1412-E1488 WeakPolarHBondContact CG-O 3.24Å; E1412-R1490 WeakPolarHBondContact OE1-CB 3.39Å; E1412-R1490 IonicContact OE1-NH1 2.77Å
1413	E	31.6	Very low	39.7	Very low	93.6 Å²	93.6	66.7 Å²	66.7	44%	0.437	37%	0.369	S	S	.	.			trans	-92	134.7	178.6	-166.8	-178.1	-170.6	0	0	110.6	R1338 P1411 F1417 Q1444 R1490 Q1520 S1521 V1522 P1540 S1597 V1598	R1338-E1413 VanDerWaalsContact NH1-C 3.3Å; R1338-E1413 PolarHBondContact NH1-O 2.79Å; R1338-E1413 PolarHBondContact NH2-O 3.25Å; P1411-E1413 HydrophobicContact CG-CB 4.41Å; E1413-F1417 WeakPolarHBondContact O-CD1 3.21Å; E1413-F1417 WeakPolarHBondContact O-CD2 3.46Å; E1413-F1417 WeakPolarHBondContact O-CE1 3.39Å; E1413-F1417 WeakPolarHBondContact O-CE2 3.02Å; E1413-F1417 WeakPolarHBondContact O-CG 3.28Å; E1413-F1417 VanDerWaalsContact O-CZ 3.25Å; E1413-F1417 WeakPolarHBondContact O-CZ 3.27Å; E1413-Q1444 PolarHBondContact OE1-NE2 2.69Å; E1413-R1490 PolarHBondContact O-N 3.16Å; E1413-Q1520 HydrophobicContact CB-CG 3.97Å; E1413-Q1520 HydrophobicContact CG-CG 4.2Å; E1413-Q1520 WeakPolarHBondContact OE1-CG 3.3Å; E1413-Q1520 WeakPolarHBondContact OE2-CG 3.43Å; E1413-Q1520 PolarHBondContact OE2-NE2 3.46Å; E1413-S1521 VanDerWaalsContact OE1-C 3.28Å; E1413-S1521 PolarHBondContact OE1-N 2.69Å; E1413-S1521 VanDerWaalsContact OE1-N 3.15Å; E1413-V1522 VanDerWaalsContact CD-CG1 3.48Å; E1413-V1522 HydrophobicContact CG-CG1 3.9Å; E1413-V1522 HydrophobicContact CG-CG2 4.13Å; E1413-P1540 VanDerWaalsContact OE1-CG 3.26Å; E1413-P1540 WeakPolarHBondContact OE1-CG 3.47Å; E1413-S1597 WeakPolarHBondContact OE2-CA 3.35Å; E1413-V1598 PolarHBondContact OE2-N 2.82Å; E1413-V1598 VanDerWaalsContact OE2-N 3.08Å
1414	R	33.5	Very low	38.5	Very low	103.4 Å²	103.4	69.8 Å²	69.8	39%	0.39	38%	0.384	S	S	.	.			trans	-129.7	114.5	-174.9	-64.2	-167.4	-173	172.2	4.5	114.3	E1336 F1341 H1342 T1375 E1412 V1416 F1417 E1488	E1336-R1414 IonicContact OE1-CZ 3.15Å; E1336-R1414 IonicContact OE1-NE 2.73Å; E1336-R1414 PolarHBondContact OE1-NE 2.73Å; E1336-R1414 IonicContact OE1-NH1 3.12Å; E1336-R1414 PolarHBondContact OE1-NH1 2.97Å; E1336-R1414 IonicContact OE1-NH2 2.74Å; E1336-R1414 PolarHBondContact OE1-NH2 2.97Å; F1341-R1414 HydrophobicContact CD1-CB 3.55Å; F1341-R1414 HydrophobicContact CD1-CG 3.89Å; F1341-R1414 HydrophobicContact CE1-CB 3.5Å; F1341-R1414 VanDerWaalsContact CE1-CB 3.5Å; F1341-R1414 HydrophobicContact CE1-CG 4.35Å; F1341-R1414 VanDerWaalsContact CE1-O 3.23Å; F1341-R1414 WeakPolarHBondContact CE1-O 3.42Å; F1341-R1414 HydrophobicContact CG-CB 4.27Å; F1341-R1414 HydrophobicContact CG-CG 4.35Å; F1341-R1414 HydrophobicContact CZ-CB 4.15Å; H1342-R1414 PolarHBondContact O-NH1 2.66Å; H1342-R1414 PolarHBondContact O-NH2 3.29Å; T1375-R1414 PolarHBondContact OG1-O 2.95Å; E1412-R1414 VanDerWaalsContact CD-CZ 3.48Å; E1412-R1414 VanDerWaalsContact CD-NH1 3.34Å; E1412-R1414 VanDerWaalsContact CD-NH2 3.3Å; E1412-R1414 HydrophobicContact CG-CG 4.26Å; E1412-R1414 WeakPolarHBondContact O-CG 3.41Å; E1412-R1414 PolarHBondContact O-N 2.71Å; E1412-R1414 PolarHBondContact O-NE 3.42Å; E1412-R1414 IonicContact OE1-CZ 3.22Å; E1412-R1414 VanDerWaalsContact OE1-CZ 3.26Å; E1412-R1414 IonicContact OE1-NE 2.88Å; E1412-R1414 PolarHBondContact OE1-NE 3.03Å; E1412-R1414 IonicContact OE1-NH1 3.35Å; E1412-R1414 PolarHBondContact OE1-NH1 2.97Å; E1412-R1414 IonicContact OE1-NH2 3.47Å; E1412-R1414 PolarHBondContact OE1-NH2 3.01Å; E1412-R1414 IonicContact OE2-CZ 3.22Å; E1412-R1414 IonicContact OE2-NE 3.03Å; E1412-R1414 PolarHBondContact OE2-NE 3.14Å; E1412-R1414 IonicContact OE2-NH1 2.66Å; E1412-R1414 PolarHBondContact OE2-NH1 3.06Å; E1412-R1414 IonicContact OE2-NH2 3.12Å; E1412-R1414 PolarHBondContact OE2-NH2 3.14Å; R1414-V1416 HydrophobicContact CB-CG2 4.34Å; R1414-V1416 PolarHBondContact O-N 3.41Å; R1414-V1416 VanDerWaalsContact O-N 3.12Å; R1414-F1417 HydrophobicContact CB-CB 4.3Å; R1414-F1417 WeakPolarHBondContact CD-O 3.28Å; R1414-F1417 HydrophobicContact CG-CB 3.94Å; R1414-F1417 HydrophobicContact CG-CG 4.42Å; R1414-F1417 PolarHBondContact NH1-O 3.28Å; R1414-E1488 IonicContact CZ-OE1 2.94Å; R1414-E1488 VanDerWaalsContact CZ-OE1 3.22Å; R1414-E1488 IonicContact NE-OE1 3.67Å; R1414-E1488 PolarHBondContact NE-OE1 3.16Å; R1414-E1488 IonicContact NH2-OE1 3.75Å; R1414-E1488 PolarHBondContact NH2-OE1 2.99Å; R1414-E1488 IonicContact NH2-OE2 2.67Å
1415	P	31	Very low	37.4	Very low	63 Å²	63	73.6 Å²	73.6	41%	0.409	40%	0.4	S	S	.	.			trans	-80.1	109.9	169	22.9	-21	0	0	0	112.6	P1339 F1417 R1490 P1491 V1598	P1339-P1415 HydrophobicContact CG-CB 4.23Å; P1415-F1417 HydrophobicContact CB-CD2 4.47Å; P1415-F1417 HydrophobicContact CB-CE2 3.89Å; P1415-F1417 HydrophobicContact CB-CZ 4.48Å; P1415-F1417 HydrophobicContact CG-CD2 4.26Å; P1415-F1417 HydrophobicContact CG-CE2 4.06Å; P1415-F1417 WeakPolarHBondContact O-CD2 3.26Å; P1415-F1417 PolarHBondContact O-N 2.76Å; P1415-R1490 WeakPolarHBondContact CG-O 3.19Å; P1415-P1491 HydrophobicContact CB-CB 4.01Å; P1415-P1491 HydrophobicContact CG-CB 4.07Å; P1415-P1491 WeakPolarHBondContact O-CA 3.5Å; P1415-P1491 WeakPolarHBondContact O-CB 3.47Å; P1415-V1598 HydrophobicContact CG-CG1 3.77Å
1416	V	31.9	Very low	36.4	Very low	76.4 Å²	76.4	73.9 Å²	73.9	46%	0.463	40%	0.401	S	S	.	.			trans	-83.8	116.7	173.3	-174.6	0	0	0	0	112	F1341 T1375 Q1376 R1414 H1418 T1451 V1492	F1341-V1416 HydrophobicContact CE2-CB 4.14Å; F1341-V1416 HydrophobicContact CE2-CG1 4.05Å; F1341-V1416 HydrophobicContact CE2-CG2 3.91Å; F1341-V1416 HydrophobicContact CZ-CB 4.45Å; F1341-V1416 HydrophobicContact CZ-CG2 3.98Å; T1375-V1416 VanDerWaalsContact C-CB 3.45Å; T1375-V1416 VanDerWaalsContact C-CG1 3.44Å; T1375-V1416 CarbonylContact O-C 3.43Å; T1375-V1416 WeakPolarHBondContact O-CA 3.4Å; T1375-V1416 VanDerWaalsContact O-CB 3.28Å; T1375-V1416 WeakPolarHBondContact O-CB 3.34Å; T1375-V1416 WeakPolarHBondContact OG1-CB 3.3Å; T1375-V1416 WeakPolarHBondContact OG1-CG2 2.98Å; T1375-V1416 PolarHBondContact OG1-N 3.13Å; Q1376-V1416 VanDerWaalsContact CB-O 3.27Å; Q1376-V1416 WeakPolarHBondContact CB-O 3.43Å; Q1376-V1416 PolarHBondContact NE2-O 2.88Å; R1414-V1416 HydrophobicContact CB-CG2 4.34Å; R1414-V1416 PolarHBondContact O-N 3.41Å; R1414-V1416 VanDerWaalsContact O-N 3.12Å; V1416-H1418 PolarHBondContact O-N 2.87Å; V1416-H1418 PolarHBondContact O-ND1 3.2Å; V1416-T1451 HydrophobicContact CB-CG2 3.79Å; V1416-T1451 VanDerWaalsContact CG1-C 3.46Å; V1416-T1451 HydrophobicContact CG2-CG2 3.34Å; V1416-V1492 HydrophobicContact CB-CG2 4.33Å; V1416-V1492 VanDerWaalsContact O-CA 3.3Å; V1416-V1492 WeakPolarHBondContact O-CA 3.47Å; V1416-V1492 PolarHBondContact O-N 2.86Å
1417	F	29.9	Very low	35.6	Very low	105.2 Å²	105.2	77.5 Å²	77.5	46%	0.461	42%	0.422	S	S	.	.			trans	-95.2	144.3	-179.1	-64.9	-98.5	0	0	0	111.7	T1375 Q1376 E1412 E1413 R1414 P1415 T1419 Q1452 T1453 P1487 E1488 R1490 V1492 F1493 V1598	T1375-F1417 PolarHBondContact O-N 3.33Å; Q1376-F1417 VanDerWaalsContact C-C 3.5Å; Q1376-F1417 VanDerWaalsContact CA-CA 3.49Å; Q1376-F1417 VanDerWaalsContact CB-CA 3.44Å; Q1376-F1417 HydrophobicContact CB-CB 4.41Å; Q1376-F1417 HydrophobicContact CB-CD1 4.3Å; Q1376-F1417 HydrophobicContact CB-CG 4.35Å; Q1376-F1417 HydrophobicContact CG-CB 4.45Å; Q1376-F1417 HydrophobicContact CG-CD1 3.48Å; Q1376-F1417 VanDerWaalsContact CG-CD1 3.48Å; Q1376-F1417 HydrophobicContact CG-CE1 3.83Å; Q1376-F1417 HydrophobicContact CG-CG 4.01Å; Q1376-F1417 CarbonylContact O-C 3.57Å; Q1376-F1417 VanDerWaalsContact O-C 3.23Å; E1412-F1417 HydrophobicContact CG-CB 4.11Å; E1412-F1417 HydrophobicContact CG-CD1 4.19Å; E1412-F1417 WeakPolarHBondContact OE1-CB 3.32Å; E1413-F1417 WeakPolarHBondContact O-CD1 3.21Å; E1413-F1417 WeakPolarHBondContact O-CD2 3.46Å; E1413-F1417 WeakPolarHBondContact O-CE1 3.39Å; E1413-F1417 WeakPolarHBondContact O-CE2 3.02Å; E1413-F1417 WeakPolarHBondContact O-CG 3.28Å; E1413-F1417 VanDerWaalsContact O-CZ 3.25Å; E1413-F1417 WeakPolarHBondContact O-CZ 3.27Å; R1414-F1417 HydrophobicContact CB-CB 4.3Å; R1414-F1417 WeakPolarHBondContact CD-O 3.28Å; R1414-F1417 HydrophobicContact CG-CB 3.94Å; R1414-F1417 HydrophobicContact CG-CG 4.42Å; R1414-F1417 PolarHBondContact NH1-O 3.28Å; P1415-F1417 HydrophobicContact CB-CD2 4.47Å; P1415-F1417 HydrophobicContact CB-CE2 3.89Å; P1415-F1417 HydrophobicContact CB-CZ 4.48Å; P1415-F1417 HydrophobicContact CG-CD2 4.26Å; P1415-F1417 HydrophobicContact CG-CE2 4.06Å; P1415-F1417 WeakPolarHBondContact O-CD2 3.26Å; P1415-F1417 PolarHBondContact O-N 2.76Å; F1417-T1419 PolarHBondContact O-N 2.93Å; F1417-Q1452 CarbonylContact C-O 3.54Å; F1417-Q1452 VanDerWaalsContact CA-C 3.46Å; F1417-Q1452 CarbonylContact O-C 3.58Å; F1417-T1453 VanDerWaalsContact CA-N 3.31Å; F1417-T1453 WeakPolarHBondContact CA-OG1 3.04Å; F1417-T1453 WeakPolarHBondContact CB-OG1 3.46Å; F1417-T1453 WeakPolarHBondContact CD1-OG1 3.33Å; F1417-T1453 WeakPolarHBondContact CG-OG1 3.38Å; F1417-T1453 PolarHBondContact O-N 3.22Å; F1417-P1487 HydrophobicContact CE1-CB 4.36Å; F1417-E1488 WeakPolarHBondContact CE1-O 3.15Å; F1417-E1488 WeakPolarHBondContact CZ-O 3.31Å; F1417-R1490 HydrophobicContact CD1-CG 4.11Å; F1417-R1490 HydrophobicContact CD2-CB 3.82Å; F1417-R1490 HydrophobicContact CD2-CG 4.17Å; F1417-R1490 HydrophobicContact CE1-CB 4.31Å; F1417-R1490 HydrophobicContact CE1-CG 3.78Å; F1417-R1490 HydrophobicContact CE2-CB 3.42Å; F1417-R1490 VanDerWaalsContact CE2-CB 3.42Å; F1417-R1490 HydrophobicContact CE2-CG 3.84Å; F1417-R1490 HydrophobicContact CG-CB 4.44Å; F1417-R1490 HydrophobicContact CG-CG 4.3Å; F1417-R1490 HydrophobicContact CZ-CB 3.71Å; F1417-R1490 HydrophobicContact CZ-CG 3.65Å; F1417-V1492 VanDerWaalsContact CB-O 3.32Å; F1417-V1492 WeakPolarHBondContact CB-O 3.29Å; F1417-V1492 WeakPolarHBondContact CD2-O 3.34Å; F1417-F1493 AromaticContact CD1-CD1 3.79Å; F1417-F1493 HydrophobicContact CD1-CD1 3.79Å; F1417-F1493 AromaticContact CD1-CE1 3.71Å; F1417-F1493 HydrophobicContact CD1-CE1 3.71Å; F1417-F1493 AromaticContact CD2-CD1 3.83Å; F1417-F1493 HydrophobicContact CD2-CD1 3.83Å; F1417-F1493 AromaticContact CD2-CE1 3.66Å; F1417-F1493 HydrophobicContact CD2-CE1 3.66Å; F1417-F1493 HydrophobicContact CD2-CE2 4.36Å; F1417-F1493 HydrophobicContact CD2-CG 4.26Å; F1417-F1493 AromaticContact CD2-CZ 3.93Å; F1417-F1493 HydrophobicContact CD2-CZ 3.93Å; F1417-F1493 AromaticContact CE1-CD1 3.97Å; F1417-F1493 HydrophobicContact CE1-CD1 3.97Å; F1417-F1493 AromaticContact CE1-CE1 3.38Å; F1417-F1493 HydrophobicContact CE1-CE1 3.38Å; F1417-F1493 HydrophobicContact CE1-CZ 4.18Å; F1417-F1493 AromaticContact CE2-CD1 3.99Å; F1417-F1493 HydrophobicContact CE2-CD1 3.99Å; F1417-F1493 AromaticContact CE2-CE1 3.32Å; F1417-F1493 HydrophobicContact CE2-CE1 3.32Å; F1417-F1493 HydrophobicContact CE2-CE2 4.05Å; F1417-F1493 AromaticContact CE2-CZ 3.33Å; F1417-F1493 HydrophobicContact CE2-CZ 3.33Å; F1417-F1493 AromaticContact CG-CD1 3.8Å; F1417-F1493 HydrophobicContact CG-CD1 3.8Å; F1417-F1493 AromaticContact CG-CE1 3.93Å; F1417-F1493 HydrophobicContact CG-CE1 3.93Å; F1417-F1493 HydrophobicContact CG-CG 4.45Å; F1417-F1493 HydrophobicContact CZ-CD1 4.1Å; F1417-F1493 AromaticContact CZ-CE1 3.21Å; F1417-F1493 HydrophobicContact CZ-CE1 3.21Å; F1417-F1493 AromaticContact CZ-CZ 3.52Å; F1417-F1493 HydrophobicContact CZ-CZ 3.52Å; F1417-V1598 HydrophobicContact CZ-CG2 4Å
1418	H	31.9	Very low	34.9	Very low	106 Å²	106	79.7 Å²	79.7	49%	0.491	43%	0.429	S	S	.	.			trans	-129.1	128.3	164.3	-87	78.2	0	0	0	113.3	H1342 Q1376 T1377 E1412 V1416 V1420 Q1444 V1446 N1448 Q1452 T1453 R1490 F1493 H1494	H1342-H1418 WeakPolarHBondContact CD2-CB 3.23Å; H1342-H1418 AromaticContact CD2-CG 3.93Å; H1342-H1418 AromaticContact CE1-CE1 3.73Å; H1342-H1418 AromaticContact CE1-NE2 3.26Å; H1342-H1418 PolarHBondContact CE1-NE2 3.43Å; H1342-H1418 VanDerWaalsContact CE1-NE2 3.26Å; H1342-H1418 AromaticContact ND1-CE1 3.45Å; H1342-H1418 PolarHBondContact ND1-CE1 2.92Å; H1342-H1418 AromaticContact ND1-NE2 2.95Å; H1342-H1418 PolarHBondContact ND1-NE2 3.48Å; H1342-H1418 WeakPolarHBondContact NE2-CB 3.38Å; H1342-H1418 AromaticContact NE2-CG 3.43Å; H1342-H1418 AromaticContact NE2-ND1 3.74Å; H1342-H1418 PolarHBondContact O-NE2 3.19Å; Q1376-H1418 WeakPolarHBondContact O-CA 3.3Å; Q1376-H1418 WeakPolarHBondContact O-CB 3.15Å; Q1376-H1418 PolarHBondContact O-N 2.85Å; T1377-H1418 CarbonylContact C-O 3.15Å; T1377-H1418 VanDerWaalsContact C-O 3.29Å; E1412-H1418 WeakPolarHBondContact OE1-CA 3.45Å; E1412-H1418 PolarHBondContact OE1-N 2.84Å; E1412-H1418 VanDerWaalsContact OE1-N 3.09Å; V1416-H1418 PolarHBondContact O-N 2.87Å; V1416-H1418 PolarHBondContact O-ND1 3.2Å; H1418-V1420 PolarHBondContact O-N 2.87Å; H1418-Q1444 PolarHBondContact CD2-NE2 3.14Å; H1418-V1446 WeakPolarHBondContact CE1-CG1 3.18Å; H1418-V1446 VanDerWaalsContact NE2-CG1 3.33Å; H1418-V1446 WeakPolarHBondContact NE2-CG1 3.24Å; H1418-V1446 WeakPolarHBondContact NE2-CG2 3.28Å; H1418-N1448 PolarHBondContact CE1-OD1 3.34Å; H1418-N1448 PolarHBondContact ND1-ND2 3.02Å; H1418-Q1452 WeakPolarHBondContact CA-O 3.39Å; H1418-Q1452 PolarHBondContact CE1-O 2.91Å; H1418-Q1452 PolarHBondContact N-O 3.03Å; H1418-Q1452 PolarHBondContact ND1-O 2.73Å; H1418-Q1452 PolarHBondContact NE2-O 3.28Å; H1418-T1453 VanDerWaalsContact C-CG2 3.42Å; H1418-T1453 PolarHBondContact N-OG1 2.8Å; H1418-T1453 WeakPolarHBondContact O-CG2 3.11Å; H1418-R1490 PolarHBondContact O-NH1 2.85Å; H1418-F1493 AromaticContact CE1-CE2 3.77Å; H1418-F1493 AromaticContact CE1-CZ 3.81Å; H1418-F1493 AromaticContact ND1-CE2 3.98Å; H1418-F1493 AromaticContact ND1-CZ 3.53Å; H1418-H1494 AromaticContact CE1-ND1 3.28Å; H1418-H1494 PolarHBondContact CE1-ND1 2.71Å; H1418-H1494 VanDerWaalsContact CE1-ND1 3.28Å; H1418-H1494 AromaticContact NE2-CE1 4Å; H1418-H1494 AromaticContact NE2-CG 3.96Å; H1418-H1494 AromaticContact NE2-ND1 3.09Å; H1418-H1494 PolarHBondContact NE2-ND1 3.33Å
1419	T	30	Very low	34.3	Very low	77.8 Å²	77.8	84.6 Å²	84.6	48%	0.477	45%	0.449	S	S	.	.			trans	-122.1	127	177.3	-72.4	0	0	0	0	113.9	T1343 N1345 T1377 D1378 E1412 F1417 N1421 T1453 D1454 R1490 T1495 V1496	T1343-T1419 WeakPolarHBondContact O-CA 3.5Å; T1343-T1419 WeakPolarHBondContact O-CB 3.47Å; T1343-T1419 PolarHBondContact O-OG1 2.8Å; N1345-T1419 PolarHBondContact ND2-OG1 2.98Å; T1377-T1419 PolarHBondContact O-OG1 2.98Å; D1378-T1419 WeakPolarHBondContact CA-OG1 3.09Å; D1378-T1419 HydrophobicContact CB-CG2 3.9Å; D1378-T1419 WeakPolarHBondContact CB-OG1 3.42Å; D1378-T1419 VanDerWaalsContact CG-CG2 3.44Å; D1378-T1419 PolarHBondContact N-OG1 2.65Å; E1412-T1419 PolarHBondContact OE1-N 3.46Å; E1412-T1419 VanDerWaalsContact OE2-CA 3.3Å; E1412-T1419 WeakPolarHBondContact OE2-CA 3.36Å; E1412-T1419 PolarHBondContact OE2-N 3.05Å; F1417-T1419 PolarHBondContact O-N 2.93Å; T1419-N1421 PolarHBondContact O-N 3.08Å; T1419-T1453 WeakPolarHBondContact OG1-CG2 3.11Å; T1419-D1454 WeakPolarHBondContact CB-O 3.46Å; T1419-D1454 WeakPolarHBondContact CG2-O 3.18Å; T1419-D1454 PolarHBondContact OG1-O 2.89Å; T1419-R1490 PolarHBondContact O-NH2 3.35Å; T1419-T1495 HydrophobicContact CG2-CG2 4.06Å; T1419-V1496 PolarHBondContact O-N 2.9Å
1420	V	33.8	Very low	34	Very low	78.4 Å²	78.4	86.1 Å²	86.1	48%	0.475	46%	0.461	S	S	.	.			trans	-126.1	123.7	-176.5	178	0	0	0	0	111	V1344 N1345 M1366 Q1368 I1410 E1412 H1418 V1422 M1442 T1485 P1487	V1344-V1420 CarbonylContact C-O 3.27Å; V1344-V1420 HydrophobicContact CG1-CB 3.94Å; V1344-V1420 HydrophobicContact CG1-CG1 3.84Å; V1344-V1420 WeakPolarHBondContact CG1-O 3.34Å; N1345-V1420 PolarHBondContact N-O 3.23Å; N1345-V1420 VanDerWaalsContact N-O 3.09Å; M1366-V1420 HydrophobicContact CE-CB 4.02Å; M1366-V1420 HydrophobicContact CE-CG1 3.19Å; M1366-V1420 HydrophobicContact CG-CG1 4.31Å; M1366-V1420 HydrophobicContact SD-CG1 3.53Å; M1366-V1420 VanDerWaalsContact SD-CG1 3.53Å; Q1368-V1420 HydrophobicContact CB-CG1 4.02Å; Q1368-V1420 HydrophobicContact CG-CG2 4.2Å; Q1368-V1420 VanDerWaalsContact NE2-CG2 3.31Å; Q1368-V1420 VanDerWaalsContact OE1-CB 3.3Å; I1410-V1420 HydrophobicContact CD1-CG1 4.22Å; E1412-V1420 HydrophobicContact CB-CB 4.44Å; E1412-V1420 HydrophobicContact CB-CG2 4.24Å; E1412-V1420 HydrophobicContact CG-CB 4.35Å; E1412-V1420 HydrophobicContact CG-CG2 3.9Å; H1418-V1420 PolarHBondContact O-N 2.87Å; V1420-V1422 HydrophobicContact CG1-CG2 3.8Å; V1420-V1422 PolarHBondContact O-N 3.05Å; V1420-V1422 VanDerWaalsContact O-N 3.12Å; V1420-M1442 HydrophobicContact CB-CE 4.32Å; V1420-M1442 HydrophobicContact CG1-CE 3.34Å; V1420-M1442 HydrophobicContact CG1-SD 4Å; V1420-T1485 WeakPolarHBondContact CG1-OG1 3.26Å; V1420-P1487 HydrophobicContact CG2-CG 4.11Å
1421	N	29.4	Very low	33.8	Very low	106.4 Å²	106.4	87.5 Å²	87.5	57%	0.569	47%	0.474	S	S	*	.			trans	-109.5	124.5	179	-100.2	-49.7	0	0	0	112.5	N1345 V1346 M1366 T1419 G1423 S1482 V1483 Q1484 T1485 V1496 V1498	N1345-N1421 HydrophobicContact CB-CB 4.4Å; N1345-N1421 WeakPolarHBondContact CB-OD1 3.06Å; N1345-N1421 PolarHBondContact ND2-OD1 3.31Å; N1345-N1421 CarbonylContact O-C 3.21Å; N1345-N1421 WeakPolarHBondContact O-CA 3.22Å; N1345-N1421 WeakPolarHBondContact O-CB 3.47Å; V1346-N1421 HydrophobicContact CG2-CB 4.43Å; V1346-N1421 WeakPolarHBondContact CG2-OD1 3.29Å; M1366-N1421 VanDerWaalsContact SD-C 3.59Å; T1419-N1421 PolarHBondContact O-N 3.08Å; N1421-G1423 VanDerWaalsContact C-N 3.27Å; N1421-G1423 PolarHBondContact O-N 3.1Å; N1421-S1482 WeakPolarHBondContact OD1-CB 3.46Å; N1421-V1483 HydrophobicContact CB-CB 4.04Å; N1421-V1483 HydrophobicContact CB-CG2 4.41Å; N1421-V1483 CarbonylContact O-C 3.47Å; N1421-V1483 VanDerWaalsContact O-C 3.31Å; N1421-V1483 WeakPolarHBondContact O-CB 3.4Å; N1421-V1483 WeakPolarHBondContact OD1-CB 3.36Å; N1421-V1483 PolarHBondContact OD1-N 3.32Å; N1421-Q1484 PolarHBondContact O-N 2.86Å; N1421-T1485 HydrophobicContact CB-CG2 3.97Å; N1421-T1485 PolarHBondContact N-OG1 3.19Å; N1421-T1485 WeakPolarHBondContact O-CG2 3.46Å; N1421-T1485 PolarHBondContact O-N 2.9Å; N1421-T1485 PolarHBondContact O-OG1 3.32Å; N1421-T1485 VanDerWaalsContact O-OG1 3.08Å; N1421-V1496 PolarHBondContact N-O 3.39Å; N1421-V1498 PolarHBondContact O-N 3.26Å
1422	V	32.2	Very low	33.4	Very low	81.8 Å²	81.8	88.8 Å²	88.8	50%	0.496	49%	0.485	S	S	.	.			trans	-118.7	119.5	176.6	-169.4	0	0	0	0	112.4	N1345 V1346 G1347 A1364 M1366 Q1408 I1410 V1420 L1424 M1442 V1477 V1483 Q1484 V1498 M1518	N1345-V1422 PolarHBondContact O-N 3.48Å; V1346-V1422 CarbonylContact C-O 3.38Å; V1346-V1422 WeakPolarHBondContact CA-O 3.05Å; V1346-V1422 HydrophobicContact CB-CB 4.46Å; V1346-V1422 HydrophobicContact CG1-CB 4.26Å; V1346-V1422 HydrophobicContact CG1-CG1 4Å; G1347-V1422 PolarHBondContact N-O 2.8Å; A1364-V1422 HydrophobicContact CB-CG1 3.87Å; M1366-V1422 HydrophobicContact CB-CB 4.05Å; M1366-V1422 HydrophobicContact CB-CG2 3.78Å; M1366-V1422 HydrophobicContact CG-CB 4.41Å; M1366-V1422 HydrophobicContact CG-CG2 3.86Å; M1366-V1422 HydrophobicContact SD-CB 3.74Å; M1366-V1422 HydrophobicContact SD-CG2 3.48Å; M1366-V1422 WeakPolarHBondContact SD-CG2 3.07Å; Q1408-V1422 HydrophobicContact CB-CB 4.26Å; Q1408-V1422 HydrophobicContact CB-CG2 4.07Å; Q1408-V1422 VanDerWaalsContact CB-O 3.28Å; Q1408-V1422 WeakPolarHBondContact CB-O 3.27Å; Q1408-V1422 HydrophobicContact CG-CB 3.93Å; Q1408-V1422 HydrophobicContact CG-CG2 4.06Å; Q1408-V1422 WeakPolarHBondContact CG-O 3.18Å; Q1408-V1422 PolarHBondContact NE2-O 3.34Å; I1410-V1422 HydrophobicContact CD1-CB 4.38Å; I1410-V1422 HydrophobicContact CD1-CG1 3.94Å; I1410-V1422 HydrophobicContact CD1-CG2 3.65Å; I1410-V1422 HydrophobicContact CG1-CB 4.3Å; I1410-V1422 HydrophobicContact CG1-CG1 3.87Å; I1410-V1422 HydrophobicContact CG1-CG2 3.95Å; V1420-V1422 HydrophobicContact CG1-CG2 3.8Å; V1420-V1422 PolarHBondContact O-N 3.05Å; V1420-V1422 VanDerWaalsContact O-N 3.12Å; V1422-L1424 PolarHBondContact O-N 3.14Å; V1422-M1442 HydrophobicContact CG2-CB 3.15Å; V1422-M1442 HydrophobicContact CG2-CG 4.23Å; V1422-M1442 HydrophobicContact CG2-SD 4.13Å; V1422-V1477 HydrophobicContact CB-CG1 3.87Å; V1422-V1477 HydrophobicContact CG1-CG1 4.06Å; V1422-V1483 CarbonylContact C-O 3.28Å; V1422-V1483 WeakPolarHBondContact CA-O 2.97Å; V1422-Q1484 HydrophobicContact CG1-CB 4.45Å; V1422-Q1484 HydrophobicContact CG1-CG 3.99Å; V1422-V1498 WeakPolarHBondContact CA-O 3.42Å; V1422-V1498 HydrophobicContact CG2-CB 4.09Å; V1422-M1518 HydrophobicContact CG1-CE 3.53Å; V1422-M1518 HydrophobicContact CG1-SD 3.68Å
1423	G	31.8	Very low	33.5	Very low	46.4 Å²	46.4	91.3 Å²	91.3	48%	0.478	50%	0.499	S	S	.	.			trans	-131.3	152.9	159.9	0	0	0	0	0	113.1	G1347 N1421 A1440 V1477 C1479 V1483 V1498 V1553 C1555	G1347-G1423 CarbonylContact O-C 3.55Å; G1347-G1423 WeakPolarHBondContact O-CA 3.22Å; N1421-G1423 VanDerWaalsContact C-N 3.27Å; N1421-G1423 PolarHBondContact O-N 3.1Å; G1423-A1440 WeakPolarHBondContact O-CB 2.98Å; G1423-V1477 CarbonylContact C-O 3.5Å; G1423-C1479 WeakPolarHBondContact CA-SG 3.34Å; G1423-V1483 PolarHBondContact N-O 3.03Å; G1423-V1498 PolarHBondContact N-O 2.76Å; G1423-V1553 WeakPolarHBondContact O-CB 3.44Å; G1423-V1553 WeakPolarHBondContact O-CG1 3.16Å; G1423-V1553 WeakPolarHBondContact O-CG2 3.23Å; G1423-C1555 WeakPolarHBondContact O-CB 3.38Å
1424	L	38.5	Very low	33.6	Very low	83 Å²	83	91.4 Å²	91.4	44%	0.435	51%	0.506	S	S	.	.			trans	-118.5	111.2	-179.8	-172.9	146.2	0	0	0	111	G1347 D1349 L1362 Q1363 A1364 V1422 H1426 L1438 A1440 T1476 V1477 H1478 C1479 L1500 A1516 V1553 H1554	G1347-L1424 PolarHBondContact O-N 2.75Å; G1347-L1424 VanDerWaalsContact O-N 3.15Å; D1349-L1424 PolarHBondContact N-O 2.77Å; L1362-L1424 HydrophobicContact CB-CD1 4.12Å; L1362-L1424 HydrophobicContact CB-CD2 4.07Å; L1362-L1424 HydrophobicContact CD1-CD2 3.77Å; L1362-L1424 HydrophobicContact CD2-CD2 4.34Å; L1362-L1424 HydrophobicContact CG-CD2 4.3Å; Q1363-L1424 WeakPolarHBondContact O-CD1 2.98Å; A1364-L1424 HydrophobicContact CB-CB 3.67Å; V1422-L1424 PolarHBondContact O-N 3.14Å; L1424-H1426 PolarHBondContact O-N 2.99Å; L1424-L1438 HydrophobicContact CD1-CB 3.95Å; L1424-L1438 HydrophobicContact CD2-CB 3.9Å; L1424-L1438 HydrophobicContact CD2-CD1 3.91Å; L1424-L1438 HydrophobicContact CD2-CD2 3.67Å; L1424-L1438 HydrophobicContact CG-CB 4.27Å; L1424-A1440 HydrophobicContact CB-CB 3.89Å; L1424-A1440 HydrophobicContact CD1-CB 4.46Å; L1424-A1440 HydrophobicContact CG-CB 4.33Å; L1424-T1476 HydrophobicContact CD1-CG2 4.09Å; L1424-V1477 WeakPolarHBondContact CB-O 2.91Å; L1424-V1477 PolarHBondContact N-O 2.86Å; L1424-H1478 CarbonylContact O-C 3.4Å; L1424-H1478 WeakPolarHBondContact O-CA 3.28Å; L1424-H1478 PolarHBondContact O-ND1 3.21Å; L1424-C1479 CarbonylContact C-O 2.99Å; L1424-C1479 PolarHBondContact N-SG 3.19Å; L1424-C1479 PolarHBondContact O-N 3.28Å; L1424-L1500 HydrophobicContact CG-CB 4.44Å; L1424-A1516 HydrophobicContact CD1-CB 3.77Å; L1424-V1553 HydrophobicContact CB-CB 4.23Å; L1424-V1553 HydrophobicContact CD1-CB 4.49Å; L1424-H1554 HydrophobicContact CD1-CB 3.89Å; L1424-H1554 HydrophobicContact CG-CB 3.86Å
1425	D	33.6	Very low	33.8	Very low	113 Å²	113	89 Å²	89	60%	0.604	51%	0.514	S	S	*	.			trans	-95	119.6	177	-107.2	3.3	0	0	0	113	T1427 C1479 L1500 H1502 H1554 A1556	D1425-T1427 WeakPolarHBondContact OD1-CB 3.44Å; D1425-T1427 PolarHBondContact OD1-N 3.2Å; D1425-T1427 PolarHBondContact OD1-OG1 2.87Å; D1425-T1427 PolarHBondContact OD2-N 2.85Å; D1425-C1479 WeakPolarHBondContact CA-O 3.28Å; D1425-L1500 PolarHBondContact N-O 3.46Å; D1425-L1500 VanDerWaalsContact N-O 3.09Å; D1425-H1502 PolarHBondContact O-N 3.14Å; D1425-H1554 WeakPolarHBondContact CB-O 3.48Å; D1425-H1554 PolarHBondContact N-O 2.65Å; D1425-A1556 HydrophobicContact CB-CB 4.2Å; D1425-A1556 WeakPolarHBondContact OD1-CB 3.31Å
1426	H	37.1	Very low	34.2	Very low	98.2 Å²	98.2	91.1 Å²	91.1	46%	0.455	52%	0.516	S	S	.	.			trans	-106.1	119.1	167.3	-134.5	-92.2	0	0	0	111.4	V1272 D1349 H1350 T1351 K1360 L1362 L1424 E1428 L1438 H1502	V1272-H1426 HydrophobicContact CG1-CB 4.05Å; D1349-H1426 PolarHBondContact O-N 2.75Å; H1350-H1426 AromaticContact CD2-CE1 3.95Å; H1350-H1426 AromaticContact CD2-ND1 3.28Å; H1350-H1426 PolarHBondContact CD2-ND1 2.81Å; H1350-H1426 VanDerWaalsContact CD2-ND1 3.28Å; H1350-H1426 PolarHBondContact CD2-O 3.17Å; H1350-H1426 AromaticContact CE1-CE1 3.78Å; H1350-H1426 AromaticContact CE1-CG 3.88Å; H1350-H1426 AromaticContact CE1-ND1 3.46Å; H1350-H1426 PolarHBondContact CE1-ND1 3.12Å; H1350-H1426 AromaticContact ND1-CE1 3.96Å; H1350-H1426 AromaticContact ND1-CG 3.48Å; H1350-H1426 AromaticContact ND1-ND1 3.18Å; H1350-H1426 PolarHBondContact ND1-ND1 3.3Å; H1350-H1426 VanDerWaalsContact ND1-ND1 3.18Å; H1350-H1426 AromaticContact NE2-CE1 3.23Å; H1350-H1426 PolarHBondContact NE2-CE1 3.23Å; H1350-H1426 AromaticContact NE2-ND1 3.06Å; H1350-H1426 PolarHBondContact NE2-ND1 3.48Å; T1351-H1426 PolarHBondContact N-O 3.37Å; T1351-H1426 VanDerWaalsContact N-O 3.07Å; T1351-H1426 PolarHBondContact O-ND1 3.43Å; K1360-H1426 VanDerWaalsContact CD-NE2 3.34Å; K1360-H1426 WeakPolarHBondContact CD-NE2 3.37Å; K1360-H1426 PolarHBondContact NZ-CE1 3.46Å; K1360-H1426 PolarHBondContact NZ-NE2 2.97Å; L1362-H1426 HydrophobicContact CD1-CB 3.63Å; L1362-H1426 VanDerWaalsContact CD1-CB 3.48Å; L1362-H1426 VanDerWaalsContact CD1-CG 3.4Å; L1362-H1426 HydrophobicContact CD2-CB 3.75Å; L1362-H1426 HydrophobicContact CG-CB 4.28Å; L1424-H1426 PolarHBondContact O-N 2.99Å; H1426-E1428 IonicContact CE1-OE2 2.72Å; H1426-E1428 PolarHBondContact CE1-OE2 3.22Å; H1426-E1428 IonicContact NE2-OE2 2.67Å; H1426-L1438 HydrophobicContact CB-CD1 3.9Å; H1426-H1502 AromaticContact CD2-ND1 3.96Å
1427	T	35.9	Very low	34.4	Very low	93.8 Å²	93.8	94.7 Å²	94.7	58%	0.575	53%	0.526	S	S	*	.			trans	-132.4	117	171.3	-53.9	0	0	0	0	111.7	D1349 D1425 K1429 A1480 H1502	D1349-T1427 WeakPolarHBondContact O-CG2 3.36Å; D1425-T1427 WeakPolarHBondContact OD1-CB 3.44Å; D1425-T1427 PolarHBondContact OD1-N 3.2Å; D1425-T1427 PolarHBondContact OD1-OG1 2.87Å; D1425-T1427 PolarHBondContact OD2-N 2.85Å; T1427-K1429 WeakPolarHBondContact O-CD 3.47Å; T1427-K1429 WeakPolarHBondContact O-CE 3.16Å; T1427-K1429 PolarHBondContact O-NZ 3.13Å; T1427-A1480 WeakPolarHBondContact OG1-CB 3.11Å; T1427-H1502 PolarHBondContact N-O 3.29Å
1428	E	37.7	Very low	34.8	Very low	106 Å²	106	94.2 Å²	94.2	50%	0.495	53%	0.528	S	S	.	.			trans	-113.1	143.4	-179.1	-168.1	-176.7	145.7	0	0	112.6	L1357 K1360 H1426 S1430 S1432 L1433 K1436	L1357-E1428 WeakPolarHBondContact CD1-OE2 3.07Å; L1357-E1428 WeakPolarHBondContact CD2-OE1 3.21Å; L1357-E1428 WeakPolarHBondContact CD2-OE2 3.2Å; L1357-E1428 WeakPolarHBondContact CG-OE1 3.32Å; K1360-E1428 WeakPolarHBondContact CE-OE2 3.37Å; K1360-E1428 IonicContact NZ-OE1 2.85Å; K1360-E1428 PolarHBondContact NZ-OE1 3.38Å; K1360-E1428 IonicContact NZ-OE2 3.16Å; K1360-E1428 PolarHBondContact NZ-OE2 3.13Å; H1426-E1428 IonicContact CE1-OE2 2.72Å; H1426-E1428 PolarHBondContact CE1-OE2 3.22Å; H1426-E1428 IonicContact NE2-OE2 2.67Å; E1428-S1430 VanDerWaalsContact OE1-O 3.05Å; E1428-S1432 VanDerWaalsContact OE1-C 3.29Å; E1428-S1432 VanDerWaalsContact OE1-CA 3.32Å; E1428-S1432 WeakPolarHBondContact OE1-CA 3.4Å; E1428-L1433 VanDerWaalsContact CD-CD1 3.48Å; E1428-L1433 VanDerWaalsContact CD-N 3.3Å; E1428-L1433 HydrophobicContact CG-CD1 3.91Å; E1428-L1433 PolarHBondContact OE1-N 3.35Å; E1428-K1436 WeakPolarHBondContact OE2-CE 3.42Å; E1428-K1436 IonicContact OE2-NZ 2.79Å; E1428-K1436 PolarHBondContact OE2-NZ 3.16Å
1429	K	36.2	Very low	34.9	Very low	148 Å²	148	95.2 Å²	95.2	64%	0.643	53%	0.532	S	S	*	.			trans	-138.3	108	-179.8	-74.7	157.4	-178.1	169.6	0	112.5	S1354 T1427 T1503 E1504	S1354-K1429 PolarHBondContact OG-O 3.2Å; T1427-K1429 WeakPolarHBondContact O-CD 3.47Å; T1427-K1429 WeakPolarHBondContact O-CE 3.16Å; T1427-K1429 PolarHBondContact O-NZ 3.13Å; K1429-T1503 WeakPolarHBondContact CD-O 3.18Å; K1429-T1503 WeakPolarHBondContact CE-O 3.33Å; K1429-T1503 PolarHBondContact NZ-O 2.82Å; K1429-T1503 PolarHBondContact NZ-OG1 2.95Å; K1429-E1504 WeakPolarHBondContact CD-O 3.35Å; K1429-E1504 IonicContact NZ-OE2 2.71Å; K1429-E1504 PolarHBondContact NZ-OE2 2.93Å
1430	S	35.8	Very low	35	Very low	66.4 Å²	66.4	94.1 Å²	94.1	46%	0.464	53%	0.531	S	S	.	.			trans	-101.2	160.5	178	-70.7	0	0	0	0	110.8	S1354 E1428 S1432 K1505 S1506	S1354-S1430 WeakPolarHBondContact CB-O 3Å; S1354-S1430 PolarHBondContact OG-O 2.78Å; E1428-S1430 VanDerWaalsContact OE1-O 3.05Å; S1430-S1432 PolarHBondContact O-N 2.98Å; S1430-S1432 VanDerWaalsContact O-N 3.09Å; S1430-K1505 VanDerWaalsContact CB-O 3.28Å; S1430-K1505 WeakPolarHBondContact CB-O 3.32Å; S1430-K1505 PolarHBondContact OG-O 3.41Å; S1430-S1506 WeakPolarHBondContact CB-O 3.28Å; S1430-S1506 VanDerWaalsContact OG-C 3.25Å; S1430-S1506 PolarHBondContact OG-N 2.98Å; S1430-S1506 PolarHBondContact OG-O 2.63Å
1431	P	34.2	Very low	35	Very low	96.8 Å²	96.8	94.2 Å²	94.2	63%	0.629	53%	0.532	S	S	*	.			trans	-117.5	130.9	158.5	35.9	-29.5	0	0	0	115.5	S1354 S1356	S1354-P1431 VanDerWaalsContact CB-CA 3.47Å; S1356-P1431 VanDerWaalsContact OG-C 3.29Å; S1356-P1431 PolarHBondContact OG-O 2.66Å
1432	S	30.5	Very low	35.1	Very low	72.2 Å²	72.2	93.9 Å²	93.9	51%	0.505	53%	0.528	S	S	.	.			trans	81.6	131.8	160	75.5	0	0	0	0	117.8	S1356 L1357 E1428 S1430 V1434 S1508	S1356-S1432 WeakPolarHBondContact O-CB 3.18Å; L1357-S1432 VanDerWaalsContact CD2-CA 3.47Å; L1357-S1432 VanDerWaalsContact CG-CA 3.42Å; E1428-S1432 VanDerWaalsContact OE1-C 3.29Å; E1428-S1432 VanDerWaalsContact OE1-CA 3.32Å; E1428-S1432 WeakPolarHBondContact OE1-CA 3.4Å; S1430-S1432 PolarHBondContact O-N 2.98Å; S1430-S1432 VanDerWaalsContact O-N 3.09Å; S1432-V1434 PolarHBondContact OG-N 3.14Å; S1432-V1434 VanDerWaalsContact OG-N 3.09Å; S1432-S1508 PolarHBondContact OG-N 2.83Å
1433	L	37.2	Very low	35.1	Very low	101.8 Å²	101.8	97.2 Å²	97.2	53%	0.533	53%	0.532	S	S	.	.			trans	-152.1	124.8	137.3	-104	171.4	0	0	0	112.7	L1357 V1358 K1360 E1428 G1435 K1436 E1504 L1509	L1357-L1433 HydrophobicContact CD2-CB 3.68Å; L1357-L1433 HydrophobicContact CD2-CD1 4.45Å; L1357-L1433 VanDerWaalsContact CD2-O 3.29Å; L1357-L1433 WeakPolarHBondContact CD2-O 3.33Å; V1358-L1433 PolarHBondContact N-O 3.19Å; K1360-L1433 WeakPolarHBondContact CE-O 3.44Å; K1360-L1433 VanDerWaalsContact NZ-CD1 3.27Å; E1428-L1433 VanDerWaalsContact CD-CD1 3.48Å; E1428-L1433 VanDerWaalsContact CD-N 3.3Å; E1428-L1433 HydrophobicContact CG-CD1 3.91Å; E1428-L1433 PolarHBondContact OE1-N 3.35Å; L1433-G1435 PolarHBondContact O-N 2.78Å; L1433-G1435 VanDerWaalsContact O-N 3.13Å; L1433-K1436 HydrophobicContact CB-CD 4.25Å; L1433-K1436 HydrophobicContact CB-CG 4.12Å; L1433-K1436 HydrophobicContact CD1-CD 4.25Å; L1433-K1436 VanDerWaalsContact CD1-CE 3.4Å; L1433-K1436 HydrophobicContact CD1-CG 3.83Å; L1433-K1436 HydrophobicContact CG-CG 4.37Å; L1433-E1504 VanDerWaalsContact CD1-OE1 3.23Å; L1433-E1504 WeakPolarHBondContact CD1-OE1 3.17Å; L1433-E1504 WeakPolarHBondContact CD1-OE2 3.23Å; L1433-E1504 VanDerWaalsContact CD2-OE1 3.27Å; L1433-E1504 WeakPolarHBondContact CD2-OE1 3.13Å; L1433-E1504 WeakPolarHBondContact CD2-OE2 3.39Å; L1433-E1504 VanDerWaalsContact CG-OE1 3.3Å; L1433-E1504 WeakPolarHBondContact CG-OE1 2.88Å; L1433-L1509 HydrophobicContact CD2-CB 4.05Å; L1433-L1509 HydrophobicContact CD2-CD2 3.51Å; L1433-L1509 WeakPolarHBondContact CD2-O 3Å; L1433-L1509 HydrophobicContact CG-CD2 3.97Å
1434	V	33.6	Very low	35.2	Very low	95.2 Å²	95.2	100.1 Å²	100.1	58%	0.577	53%	0.533	S	S	*	.			trans	-63.3	128.3	177.1	-178.9	0	0	0	0	115	V1358 S1432 K1436 V1510 G1511	V1358-V1434 HydrophobicContact CB-CG1 4.19Å; V1358-V1434 HydrophobicContact CB-CG2 4.25Å; V1358-V1434 HydrophobicContact CG1-CG1 4.29Å; V1358-V1434 CarbonylContact O-C 3.52Å; V1358-V1434 WeakPolarHBondContact O-CA 2.71Å; V1358-V1434 WeakPolarHBondContact O-CG1 2.97Å; S1432-V1434 PolarHBondContact OG-N 3.14Å; S1432-V1434 VanDerWaalsContact OG-N 3.09Å; V1434-K1436 HydrophobicContact CG1-CD 4.43Å; V1434-K1436 HydrophobicContact CG1-CG 4.06Å; V1434-K1436 PolarHBondContact O-N 3.15Å; V1434-V1510 HydrophobicContact CB-CG1 4.29Å; V1434-V1510 HydrophobicContact CB-CG2 4.38Å; V1434-V1510 HydrophobicContact CG2-CG1 4.23Å; V1434-V1510 WeakPolarHBondContact O-CA 3.25Å; V1434-G1511 WeakPolarHBondContact O-CA 2.92Å; V1434-G1511 PolarHBondContact O-N 2.97Å
1435	G	37.4	Very low	34.7	Very low	54 Å²	54	99.4 Å²	99.4	56%	0.557	54%	0.535	S	S	*	.			trans	116.4	62.1	156	0	0	0	0	0	117.7	V1358 G1359 L1433 K1437 G1511 K1512	V1358-G1435 PolarHBondContact O-N 2.67Å; G1359-G1435 CarbonylContact O-C 2.94Å; G1359-G1435 WeakPolarHBondContact O-CA 3.28Å; G1359-G1435 PolarHBondContact O-N 2.97Å; L1433-G1435 PolarHBondContact O-N 2.78Å; L1433-G1435 VanDerWaalsContact O-N 3.13Å; G1435-K1437 PolarHBondContact O-N 3.05Å; G1435-G1511 CarbonylContact O-C 3.24Å; G1435-G1511 WeakPolarHBondContact O-CA 3.48Å; G1435-G1511 PolarHBondContact O-N 3.43Å; G1435-K1512 PolarHBondContact O-N 2.67Å
1436	K	38.6	Very low	34.7	Very low	105.6 Å²	105.6	98.1 Å²	98.1	46%	0.459	53%	0.531	S	S	.	.			trans	-94.3	133.2	169.8	-75	178.8	177	177.6	0	112.9	G1359 K1360 K1361 L1362 E1428 L1433 V1434 L1438 H1502 E1504 L1509 K1512 L1514	G1359-K1436 PolarHBondContact O-N 2.59Å; K1360-K1436 VanDerWaalsContact CA-O 3.31Å; K1360-K1436 WeakPolarHBondContact CA-O 2.73Å; K1360-K1436 HydrophobicContact CB-CB 4.35Å; K1360-K1436 HydrophobicContact CD-CB 4.26Å; K1360-K1436 HydrophobicContact CD-CD 4.46Å; K1360-K1436 HydrophobicContact CG-CB 4.12Å; K1361-K1436 CarbonylContact C-O 3.38Å; K1361-K1436 PolarHBondContact N-O 2.98Å; K1361-K1436 VanDerWaalsContact N-O 3.1Å; K1361-K1436 VanDerWaalsContact O-O 3.06Å; L1362-K1436 HydrophobicContact CD2-CB 3.95Å; E1428-K1436 WeakPolarHBondContact OE2-CE 3.42Å; E1428-K1436 IonicContact OE2-NZ 2.79Å; E1428-K1436 PolarHBondContact OE2-NZ 3.16Å; L1433-K1436 HydrophobicContact CB-CD 4.25Å; L1433-K1436 HydrophobicContact CB-CG 4.12Å; L1433-K1436 HydrophobicContact CD1-CD 4.25Å; L1433-K1436 VanDerWaalsContact CD1-CE 3.4Å; L1433-K1436 HydrophobicContact CD1-CG 3.83Å; L1433-K1436 HydrophobicContact CG-CG 4.37Å; V1434-K1436 HydrophobicContact CG1-CD 4.43Å; V1434-K1436 HydrophobicContact CG1-CG 4.06Å; V1434-K1436 PolarHBondContact O-N 3.15Å; K1436-L1438 HydrophobicContact CB-CD1 4.44Å; K1436-L1438 PolarHBondContact O-N 2.97Å; K1436-H1502 PolarHBondContact NZ-NE2 2.76Å; K1436-E1504 WeakPolarHBondContact CE-OE2 3.42Å; K1436-E1504 IonicContact NZ-OE1 3.82Å; K1436-E1504 PolarHBondContact NZ-OE1 3.49Å; K1436-E1504 IonicContact NZ-OE2 2.95Å; K1436-E1504 PolarHBondContact NZ-OE2 3.02Å; K1436-L1509 WeakPolarHBondContact CE-O 3.5Å; K1436-K1512 WeakPolarHBondContact CA-O 3.21Å; K1436-L1514 HydrophobicContact CD-CD1 4.03Å; K1436-L1514 HydrophobicContact CG-CD1 4.2Å
1437	K	37.2	Very low	34.2	Very low	151.8 Å²	151.8	98.4 Å²	98.4	66%	0.66	53%	0.533	S	S	*	.			trans	-112.9	120.9	171.3	-119.5	-163.6	176.6	-173.5	0	111.9	K1361 Q1363 G1435 K1512 K1513 L1514	K1361-K1437 HydrophobicContact CB-CG 4.29Å; K1361-K1437 HydrophobicContact CG-CG 4.32Å; K1361-K1437 CarbonylContact O-C 3.29Å; K1361-K1437 WeakPolarHBondContact O-CA 2.72Å; Q1363-K1437 VanDerWaalsContact CD-NZ 3.3Å; Q1363-K1437 VanDerWaalsContact NE2-NZ 3.14Å; G1435-K1437 PolarHBondContact O-N 3.05Å; K1437-K1512 PolarHBondContact N-O 3.03Å; K1437-K1513 HydrophobicContact CB-CG 4.45Å; K1437-K1513 WeakPolarHBondContact O-CA 3.17Å; K1437-L1514 CarbonylContact C-O 3.58Å; K1437-L1514 PolarHBondContact O-N 2.96Å
1438	L	37.5	Very low	33.9	Very low	95.6 Å²	95.6	98.8 Å²	98.8	50%	0.501	53%	0.531	S	S	.	.			trans	-110.1	149.5	167.5	-70	138.7	0	0	0	110.5	K1361 L1362 Q1363 L1424 H1426 K1436 A1440 H1478 L1500 H1502 L1514	K1361-L1438 PolarHBondContact O-N 3.05Å; L1362-L1438 CarbonylContact C-O 3.41Å; L1362-L1438 HydrophobicContact CB-CD2 4.28Å; L1362-L1438 HydrophobicContact CD2-CB 3.92Å; L1362-L1438 HydrophobicContact CD2-CD1 3.85Å; L1362-L1438 HydrophobicContact CD2-CD2 4.22Å; L1362-L1438 HydrophobicContact CD2-CG 3.82Å; Q1363-L1438 HydrophobicContact CB-CB 3.88Å; Q1363-L1438 PolarHBondContact N-O 2.75Å; Q1363-L1438 VanDerWaalsContact N-O 3.08Å; Q1363-L1438 PolarHBondContact NE2-O 2.75Å; Q1363-L1438 VanDerWaalsContact NE2-O 3.14Å; Q1363-L1438 WeakPolarHBondContact O-CB 3.39Å; Q1363-L1438 PolarHBondContact OE1-O 2.79Å; L1424-L1438 HydrophobicContact CD1-CB 3.95Å; L1424-L1438 HydrophobicContact CD2-CB 3.9Å; L1424-L1438 HydrophobicContact CD2-CD1 3.91Å; L1424-L1438 HydrophobicContact CD2-CD2 3.67Å; L1424-L1438 HydrophobicContact CG-CB 4.27Å; H1426-L1438 HydrophobicContact CB-CD1 3.9Å; K1436-L1438 HydrophobicContact CB-CD1 4.44Å; K1436-L1438 PolarHBondContact O-N 2.97Å; L1438-A1440 VanDerWaalsContact C-N 3.3Å; L1438-A1440 PolarHBondContact O-N 2.84Å; L1438-H1478 WeakPolarHBondContact CD2-CE1 3.02Å; L1438-H1478 VanDerWaalsContact CD2-NE2 3.27Å; L1438-H1478 WeakPolarHBondContact CD2-NE2 3.06Å; L1438-L1500 HydrophobicContact CB-CD1 4.34Å; L1438-L1500 HydrophobicContact CB-CD2 4.35Å; L1438-L1500 HydrophobicContact CD1-CD2 3.95Å; L1438-L1500 HydrophobicContact CD2-CD2 4.35Å; L1438-L1500 HydrophobicContact CG-CD2 4.47Å; L1438-H1502 HydrophobicContact CD1-CB 3.73Å; L1438-H1502 HydrophobicContact CD2-CB 4.44Å; L1438-L1514 CarbonylContact C-O 3.35Å; L1438-L1514 WeakPolarHBondContact CA-O 3.41Å; L1438-L1514 HydrophobicContact CD1-CB 3.88Å; L1438-L1514 VanDerWaalsContact CD1-O 3.32Å; L1438-L1514 WeakPolarHBondContact CD1-O 3.16Å; L1438-L1514 HydrophobicContact CD2-CB 3.74Å; L1438-L1514 HydrophobicContact CD2-CD1 3.6Å; L1438-L1514 HydrophobicContact CD2-CG 3.8Å; L1438-L1514 HydrophobicContact CG-CB 4.36Å; L1438-L1514 WeakPolarHBondContact CG-O 3.39Å
1439	Q	34	Very low	33.4	Very low	127 Å²	127	98.6 Å²	98.6	59%	0.593	54%	0.537	S	S	*	.			trans	-139	121.8	166.7	-165.5	165.8	-10.8	0	0	111.6	Q1363 T1441 T1476 L1500 L1514 Q1515 A1516	Q1363-Q1439 HydrophobicContact CB-CB 4.45Å; Q1363-Q1439 HydrophobicContact CB-CG 4.27Å; Q1363-Q1439 HydrophobicContact CG-CG 4.36Å; Q1363-Q1439 CarbonylContact O-C 3.29Å; Q1363-Q1439 WeakPolarHBondContact O-CA 3.36Å; Q1439-T1441 WeakPolarHBondContact CG-OG1 3.45Å; Q1439-T1441 PolarHBondContact NE2-OG1 2.67Å; Q1439-T1441 PolarHBondContact O-N 3.14Å; Q1439-T1476 PolarHBondContact O-OG1 3.16Å; Q1439-L1500 VanDerWaalsContact C-CD1 3.46Å; Q1439-L1500 VanDerWaalsContact O-CD1 3.25Å; Q1439-L1500 WeakPolarHBondContact O-CD1 3.13Å; Q1439-L1514 PolarHBondContact N-O 3.29Å; Q1439-Q1515 HydrophobicContact CB-CG 4.36Å; Q1439-Q1515 HydrophobicContact CG-CG 4.49Å; Q1439-Q1515 CarbonylContact O-C 3.04Å; Q1439-Q1515 VanDerWaalsContact O-CA 3.27Å; Q1439-Q1515 WeakPolarHBondContact O-CA 3.47Å; Q1439-Q1515 WeakPolarHBondContact O-CG 3.26Å; Q1439-Q1515 PolarHBondContact O-NE2 2.75Å; Q1439-A1516 PolarHBondContact O-N 3.19Å; Q1439-A1516 VanDerWaalsContact O-O 3.12Å
1440	A	32.9	Very low	33	Very low	54 Å²	54	94.7 Å²	94.7	45%	0.446	53%	0.529	S	S	.	.			trans	-120.7	133.6	174.2	0	0	0	0	0	110.6	Q1363 A1364 T1365 G1399 T1400 G1423 L1424 L1438 M1442 L1500 A1516	Q1363-A1440 PolarHBondContact O-N 2.88Å; A1364-A1440 CarbonylContact C-O 3.58Å; A1364-A1440 WeakPolarHBondContact CA-O 3.19Å; T1365-A1440 HydrophobicContact CG2-CB 3.6Å; T1365-A1440 PolarHBondContact N-O 2.95Å; T1365-A1440 VanDerWaalsContact N-O 3.15Å; G1399-A1440 CarbonylContact O-C 3.58Å; T1400-A1440 PolarHBondContact OG1-N 2.75Å; T1400-A1440 PolarHBondContact OG1-O 2.86Å; G1423-A1440 WeakPolarHBondContact O-CB 2.98Å; L1424-A1440 HydrophobicContact CB-CB 3.89Å; L1424-A1440 HydrophobicContact CD1-CB 4.46Å; L1424-A1440 HydrophobicContact CG-CB 4.33Å; L1438-A1440 VanDerWaalsContact C-N 3.3Å; L1438-A1440 PolarHBondContact O-N 2.84Å; A1440-M1442 VanDerWaalsContact C-N 3.26Å; A1440-M1442 PolarHBondContact O-N 3.09Å; A1440-L1500 HydrophobicContact CB-CB 4.08Å; A1440-A1516 CarbonylContact C-O 3.55Å; A1440-A1516 WeakPolarHBondContact CA-O 3.3Å
1441	T	32.7	Very low	32.6	Very low	80.6 Å²	80.6	95.7 Å²	95.7	49%	0.494	53%	0.532	S	S	.	.			trans	-132.6	118.5	174.4	-67	0	0	0	0	110.8	T1365 Q1397 G1399 Q1439 R1443 S1474 A1516 T1517 M1518 R1519	T1365-T1441 VanDerWaalsContact O-CA 3.28Å; T1365-T1441 WeakPolarHBondContact O-CA 3.43Å; Q1397-T1441 VanDerWaalsContact C-CG2 3.47Å; Q1397-T1441 HydrophobicContact CB-CG2 3.63Å; Q1397-T1441 VanDerWaalsContact O-CG2 3.28Å; Q1397-T1441 WeakPolarHBondContact O-CG2 3.04Å; G1399-T1441 PolarHBondContact O-N 2.83Å; Q1439-T1441 WeakPolarHBondContact CG-OG1 3.45Å; Q1439-T1441 PolarHBondContact NE2-OG1 2.67Å; Q1439-T1441 PolarHBondContact O-N 3.14Å; T1441-R1443 HydrophobicContact CG2-CB 4.33Å; T1441-R1443 HydrophobicContact CG2-CG 4.14Å; T1441-R1443 PolarHBondContact O-N 3.34Å; T1441-S1474 CarbonylContact O-C 3.46Å; T1441-A1516 PolarHBondContact N-O 3.23Å; T1441-T1517 VanDerWaalsContact O-CA 3.24Å; T1441-T1517 WeakPolarHBondContact O-CA 3.28Å; T1441-M1518 PolarHBondContact O-N 2.95Å; T1441-R1519 PolarHBondContact O-NH2 2.7Å
1442	M	33	Very low	32.2	Very low	100.2 Å²	100.2	95.6 Å²	95.6	49%	0.494	52%	0.523	S	S	.	.			trans	-106	133.7	-176.9	-120.6	168.3	131.6	0	0	111.1	I1334 T1365 M1366 R1367 I1410 V1420 V1422 A1440 Q1444 S1474 V1496 V1498 M1518 R1519	I1334-M1442 HydrophobicContact CD1-CE 4.02Å; I1334-M1442 HydrophobicContact CD1-CG 4.38Å; T1365-M1442 HydrophobicContact CG2-CB 4.05Å; T1365-M1442 HydrophobicContact CG2-SD 3.87Å; T1365-M1442 WeakPolarHBondContact O-CE 3.45Å; T1365-M1442 PolarHBondContact O-N 3.15Å; T1365-M1442 VanDerWaalsContact O-N 3.08Å; M1366-M1442 WeakPolarHBondContact CA-O 3.13Å; M1366-M1442 HydrophobicContact CG-CB 3.87Å; M1366-M1442 HydrophobicContact CG-CE 4.26Å; M1366-M1442 HydrophobicContact CG-CG 4.06Å; M1366-M1442 HydrophobicContact CG-SD 4.17Å; M1366-M1442 HydrophobicContact SD-CB 4.2Å; M1366-M1442 HydrophobicContact SD-CE 4.38Å; M1366-M1442 HydrophobicContact SD-CG 4.23Å; M1366-M1442 HydrophobicContact SD-SD 3.57Å; R1367-M1442 HydrophobicContact CB-CB 3.69Å; R1367-M1442 VanDerWaalsContact N-CB 3.28Å; R1367-M1442 PolarHBondContact N-O 3.38Å; I1410-M1442 HydrophobicContact CG2-CE 3.65Å; V1420-M1442 HydrophobicContact CB-CE 4.32Å; V1420-M1442 HydrophobicContact CG1-CE 3.34Å; V1420-M1442 HydrophobicContact CG1-SD 4Å; V1422-M1442 HydrophobicContact CG2-CB 3.15Å; V1422-M1442 HydrophobicContact CG2-CG 4.23Å; V1422-M1442 HydrophobicContact CG2-SD 4.13Å; A1440-M1442 VanDerWaalsContact C-N 3.26Å; A1440-M1442 PolarHBondContact O-N 3.09Å; M1442-Q1444 VanDerWaalsContact C-N 3.33Å; M1442-Q1444 HydrophobicContact CE-CB 3.75Å; M1442-Q1444 HydrophobicContact CE-CG 4.44Å; M1442-Q1444 PolarHBondContact O-N 3.04Å; M1442-S1474 VanDerWaalsContact SD-O 3.34Å; M1442-V1496 HydrophobicContact CE-CB 3.58Å; M1442-V1496 HydrophobicContact CE-CG1 4.5Å; M1442-V1496 HydrophobicContact CE-CG2 3.54Å; M1442-V1498 HydrophobicContact CB-CB 4.28Å; M1442-V1498 HydrophobicContact CB-CG2 3.7Å; M1442-V1498 HydrophobicContact CG-CG2 3.96Å; M1442-V1498 HydrophobicContact SD-CG2 3.89Å; M1442-M1518 HydrophobicContact CE-CE 3.53Å; M1442-M1518 WeakPolarHBondContact CE-O 3.5Å; M1442-M1518 HydrophobicContact CG-CE 3.75Å; M1442-M1518 HydrophobicContact SD-CE 3.55Å; M1442-M1518 VanDerWaalsContact SD-CE 3.55Å; M1442-R1519 HydrophobicContact CE-CG 4.12Å; M1442-R1519 HydrophobicContact CG-CG 4.04Å; M1442-R1519 HydrophobicContact SD-CG 4.29Å
1443	R	32.1	Very low	32.1	Very low	151.8 Å²	151.8	96.3 Å²	96.3	57%	0.573	53%	0.525	S	S	*	.			trans	-122.1	121.9	165.5	-92.6	-163.1	177.1	-166.1	-8.3	110.2	R1367 F1392 Q1397 T1441 S1445 F1468 V1471 M1518 R1519 Q1520	R1367-R1443 WeakPolarHBondContact O-CA 2.73Å; F1392-R1443 VanDerWaalsContact O-CZ 3.27Å; F1392-R1443 PolarHBondContact O-NH1 3.04Å; F1392-R1443 PolarHBondContact O-NH2 2.86Å; Q1397-R1443 HydrophobicContact CG-CB 3.78Å; Q1397-R1443 HydrophobicContact CG-CG 4.49Å; T1441-R1443 HydrophobicContact CG2-CB 4.33Å; T1441-R1443 HydrophobicContact CG2-CG 4.14Å; T1441-R1443 PolarHBondContact O-N 3.34Å; R1443-S1445 PolarHBondContact NE-OG 3.2Å; R1443-S1445 PolarHBondContact NH1-OG 3.01Å; R1443-S1445 PolarHBondContact O-N 3.15Å; R1443-F1468 VanDerWaalsContact NH1-CD1 3.27Å; R1443-V1471 WeakPolarHBondContact O-CG1 3.21Å; R1443-M1518 PolarHBondContact N-O 2.98Å; R1443-R1519 WeakPolarHBondContact O-CA 3.31Å; R1443-R1519 PolarHBondContact O-NE 2.92Å; R1443-R1519 VanDerWaalsContact O-NE 3.08Å; R1443-R1519 PolarHBondContact O-NH1 2.66Å; R1443-Q1520 PolarHBondContact O-N 3.17Å
1444	Q	32.7	Very low	31.7	Very low	107.4 Å²	107.4	95.5 Å²	95.5	50%	0.502	52%	0.521	S	S	.	.			trans	-119.6	129.8	158	160.8	-178.7	16.1	0	0	108.4	I1334 P1335 R1367 Q1368 S1369 E1413 H1418 M1442 V1446 V1496 Q1520 S1521	I1334-Q1444 HydrophobicContact CB-CG 4.19Å; I1334-Q1444 HydrophobicContact CG2-CB 4.32Å; I1334-Q1444 HydrophobicContact CG2-CG 3.68Å; P1335-Q1444 HydrophobicContact CG-CG 3.85Å; P1335-Q1444 PolarHBondContact O-NE2 2.96Å; P1335-Q1444 VanDerWaalsContact O-NE2 3.15Å; R1367-Q1444 PolarHBondContact O-N 2.85Å; Q1368-Q1444 CarbonylContact C-O 3.08Å; Q1368-Q1444 WeakPolarHBondContact CA-O 2.23Å; S1369-Q1444 PolarHBondContact N-O 3.17Å; S1369-Q1444 VanDerWaalsContact N-O 3.08Å; S1369-Q1444 PolarHBondContact OG-O 3.45Å; E1413-Q1444 PolarHBondContact OE1-NE2 2.69Å; H1418-Q1444 PolarHBondContact CD2-NE2 3.14Å; M1442-Q1444 VanDerWaalsContact C-N 3.33Å; M1442-Q1444 HydrophobicContact CE-CB 3.75Å; M1442-Q1444 HydrophobicContact CE-CG 4.44Å; M1442-Q1444 PolarHBondContact O-N 3.04Å; Q1444-V1446 HydrophobicContact CG-CG2 3.7Å; Q1444-V1496 HydrophobicContact CG-CG2 4.39Å; Q1444-Q1520 WeakPolarHBondContact CA-O 3.4Å; Q1444-Q1520 PolarHBondContact OE1-O 2.88Å; Q1444-S1521 VanDerWaalsContact NE2-CA 3.29Å
1445	S	29.6	Very low	31.6	Very low	68 Å²	68	95 Å²	95	48%	0.476	52%	0.52	S	S	.	.			trans	-117.6	126.4	179.8	49.2	0	0	0	0	111.2	S1369 R1443 E1447 F1468 Q1520 V1522	S1369-S1445 WeakPolarHBondContact O-CA 3.43Å; S1369-S1445 WeakPolarHBondContact OG-CA 3.49Å; S1369-S1445 VanDerWaalsContact OG-CB 3.29Å; S1369-S1445 WeakPolarHBondContact OG-CB 3.25Å; R1443-S1445 PolarHBondContact NE-OG 3.2Å; R1443-S1445 PolarHBondContact NH1-OG 3.01Å; R1443-S1445 PolarHBondContact O-N 3.15Å; S1445-E1447 PolarHBondContact O-N 2.92Å; S1445-F1468 WeakPolarHBondContact O-CE2 3.2Å; S1445-F1468 WeakPolarHBondContact OG-CE2 3.24Å; S1445-F1468 WeakPolarHBondContact OG-CZ 3.3Å; S1445-Q1520 PolarHBondContact N-O 3.26Å; S1445-V1522 CarbonylContact C-O 3.56Å; S1445-V1522 PolarHBondContact O-N 3.14Å; S1445-V1522 VanDerWaalsContact O-O 3.11Å
1446	V	32.9	Very low	31.2	Very low	85.8 Å²	85.8	100.2 Å²	100.2	52%	0.52	53%	0.532	S	S	.	.			trans	-101.4	126.5	170.6	178.9	0	0	0	0	108.7	S1369 V1370 E1371 H1418 Q1444 N1448 V1522 N1524	S1369-V1446 PolarHBondContact O-N 3.02Å; V1370-V1446 VanDerWaalsContact CA-O 3.25Å; V1370-V1446 WeakPolarHBondContact CA-O 3.33Å; V1370-V1446 HydrophobicContact CG2-CB 4.28Å; E1371-V1446 PolarHBondContact N-O 2.95Å; H1418-V1446 WeakPolarHBondContact CE1-CG1 3.18Å; H1418-V1446 VanDerWaalsContact NE2-CG1 3.33Å; H1418-V1446 WeakPolarHBondContact NE2-CG1 3.24Å; H1418-V1446 WeakPolarHBondContact NE2-CG2 3.28Å; Q1444-V1446 HydrophobicContact CG-CG2 3.7Å; V1446-N1448 HydrophobicContact CG1-CB 4.35Å; V1446-N1448 VanDerWaalsContact CG1-ND2 3.34Å; V1446-N1448 WeakPolarHBondContact CG1-ND2 3.07Å; V1446-N1448 WeakPolarHBondContact CG1-OD1 3.29Å; V1446-V1522 HydrophobicContact CG2-CG2 4Å; V1446-V1522 VanDerWaalsContact CG2-O 3.3Å; V1446-V1522 WeakPolarHBondContact CG2-O 3.31Å; V1446-N1524 HydrophobicContact CG1-CB 4.41Å
1447	E	26.9	Very low	30.9	Very low	105 Å²	105	97.8 Å²	97.8	49%	0.491	53%	0.531	S	S	.	.			trans	-116.9	134.5	180	-92.1	-179.9	174.7	0	0	111.2	E1371 N1372 T1390 T1391 S1445 T1449 K1465 T1466 F1468 V1522 E1523 N1524	E1371-E1447 HydrophobicContact CB-CG 3.36Å; N1372-E1447 PolarHBondContact ND2-OE1 2.92Å; T1390-E1447 VanDerWaalsContact C-CD 3.44Å; T1390-E1447 VanDerWaalsContact C-OE2 3.26Å; T1390-E1447 WeakPolarHBondContact CA-OE1 3.34Å; T1390-E1447 WeakPolarHBondContact CA-OE2 3.36Å; T1390-E1447 WeakPolarHBondContact CB-OE1 3.47Å; T1390-E1447 VanDerWaalsContact CB-OE2 3.31Å; T1390-E1447 WeakPolarHBondContact CB-OE2 3.5Å; T1390-E1447 VanDerWaalsContact CG2-OE1 3.3Å; T1390-E1447 WeakPolarHBondContact CG2-OE1 3.09Å; T1390-E1447 PolarHBondContact N-OE2 3.4Å; T1391-E1447 VanDerWaalsContact CA-OE1 3.29Å; T1391-E1447 WeakPolarHBondContact CA-OE1 3.05Å; T1391-E1447 PolarHBondContact N-OE1 3.47Å; T1391-E1447 VanDerWaalsContact N-OE1 3.16Å; S1445-E1447 PolarHBondContact O-N 2.92Å; E1447-T1449 PolarHBondContact O-N 3.09Å; E1447-K1465 CarbonylContact O-C 3.52Å; E1447-K1465 WeakPolarHBondContact O-CA 3.23Å; E1447-T1466 HydrophobicContact CB-CG2 4.17Å; E1447-T1466 VanDerWaalsContact CD-CG2 3.44Å; E1447-T1466 HydrophobicContact CG-CG2 4.42Å; E1447-T1466 PolarHBondContact O-N 2.94Å; E1447-T1466 WeakPolarHBondContact OE1-CG2 3.41Å; E1447-T1466 WeakPolarHBondContact OE2-CB 3.29Å; E1447-T1466 VanDerWaalsContact OE2-CG2 3.32Å; E1447-T1466 WeakPolarHBondContact OE2-CG2 3.42Å; E1447-T1466 PolarHBondContact OE2-OG1 2.73Å; E1447-F1468 HydrophobicContact CB-CE2 3.5Å; E1447-F1468 VanDerWaalsContact CB-CE2 3.5Å; E1447-F1468 HydrophobicContact CB-CZ 3.42Å; E1447-F1468 VanDerWaalsContact CB-CZ 3.42Å; E1447-F1468 HydrophobicContact CG-CE2 4.23Å; E1447-F1468 HydrophobicContact CG-CZ 3.62Å; E1447-F1468 WeakPolarHBondContact OE1-CZ 3.49Å; E1447-V1522 PolarHBondContact N-O 2.91Å; E1447-E1523 HydrophobicContact CB-CG 4.39Å; E1447-E1523 WeakPolarHBondContact O-CB 3.21Å; E1447-N1524 WeakPolarHBondContact O-CB 3.29Å; E1447-N1524 PolarHBondContact O-N 2.95Å
1448	N	28.9	Very low	30.6	Very low	101.2 Å²	101.2	98 Å²	98	54%	0.541	54%	0.535	S	S	.	.			trans	-121.1	103	171.9	-85	-39.5	0	0	0	112.7	E1371 N1372 T1373 S1374 P1388 K1389 H1418 V1446 S1450 T1451 P1464 T1466 N1524	E1371-N1448 WeakPolarHBondContact O-CB 3.46Å; E1371-N1448 PolarHBondContact O-N 3.16Å; E1371-N1448 PolarHBondContact O-ND2 2.87Å; N1372-N1448 HydrophobicContact CB-CB 4.26Å; N1372-N1448 PolarHBondContact OD1-ND2 3.44Å; T1373-N1448 PolarHBondContact N-O 2.7Å; T1373-N1448 VanDerWaalsContact O-O 3.12Å; S1374-N1448 PolarHBondContact O-ND2 3.05Å; P1388-N1448 VanDerWaalsContact C-C 3.49Å; P1388-N1448 CarbonylContact C-O 3.53Å; P1388-N1448 CarbonylContact O-C 3.23Å; P1388-N1448 WeakPolarHBondContact O-CB 3.11Å; K1389-N1448 PolarHBondContact N-O 3.05Å; H1418-N1448 PolarHBondContact CE1-OD1 3.34Å; H1418-N1448 PolarHBondContact ND1-ND2 3.02Å; V1446-N1448 HydrophobicContact CG1-CB 4.35Å; V1446-N1448 VanDerWaalsContact CG1-ND2 3.34Å; V1446-N1448 WeakPolarHBondContact CG1-ND2 3.07Å; V1446-N1448 WeakPolarHBondContact CG1-OD1 3.29Å; N1448-S1450 PolarHBondContact O-N 3.34Å; N1448-T1451 PolarHBondContact OD1-O 3.47Å; N1448-P1464 HydrophobicContact CB-CB 3.57Å; N1448-P1464 HydrophobicContact CB-CG 4.48Å; N1448-P1464 CarbonylContact O-C 3.6Å; N1448-P1464 WeakPolarHBondContact O-CA 3.11Å; N1448-P1464 WeakPolarHBondContact O-CB 3.45Å; N1448-P1464 PolarHBondContact OD1-O 2.89Å; N1448-T1466 VanDerWaalsContact N-CB 3.32Å; N1448-T1466 PolarHBondContact N-OG1 2.79Å; N1448-N1524 PolarHBondContact OD1-ND2 3.49Å
1449	T	26.7	Very low	30.2	Very low	101.2 Å²	101.2	96.5 Å²	96.5	62%	0.621	53%	0.529	S	S	*	.			trans	-89.8	116.3	162.9	-47.2	0	0	0	0	113.1	K1389 E1447 T1451 P1464 K1465 T1466	K1389-T1449 HydrophobicContact CB-CG2 4.01Å; K1389-T1449 HydrophobicContact CD-CG2 3.62Å; K1389-T1449 WeakPolarHBondContact CD-OG1 3.33Å; K1389-T1449 WeakPolarHBondContact CE-OG1 3.32Å; K1389-T1449 HydrophobicContact CG-CG2 4.15Å; K1389-T1449 WeakPolarHBondContact CG-OG1 3.35Å; K1389-T1449 PolarHBondContact NZ-OG1 3.15Å; E1447-T1449 PolarHBondContact O-N 3.09Å; T1449-T1451 HydrophobicContact CG2-CG2 4.18Å; T1449-P1464 CarbonylContact O-C 3.54Å; T1449-P1464 VanDerWaalsContact O-CA 3.31Å; T1449-P1464 WeakPolarHBondContact O-CA 3.21Å; T1449-K1465 VanDerWaalsContact CA-O 3.25Å; T1449-K1465 WeakPolarHBondContact CA-O 3.46Å; T1449-K1465 WeakPolarHBondContact CB-O 3.36Å; T1449-K1465 PolarHBondContact N-O 2.9Å; T1449-K1465 PolarHBondContact O-N 2.77Å; T1449-K1465 PolarHBondContact OG1-O 2.78Å; T1449-T1466 PolarHBondContact N-OG1 3.02Å; T1449-T1466 WeakPolarHBondContact OG1-CA 3.39Å; T1449-T1466 PolarHBondContact OG1-OG1 3.15Å
1450	S	28	Very low	30.1	Very low	66.8 Å²	66.8	93.4 Å²	93.4	47%	0.467	52%	0.52	S	S	.	.			trans	-130.7	142.2	174.2	175.7	0	0	0	0	111.3	S1374 V1386 L1387 N1448 Q1452 V1462 L1463 N1524	S1374-S1450 VanDerWaalsContact CB-O 3.23Å; S1374-S1450 WeakPolarHBondContact CB-O 3.4Å; S1374-S1450 PolarHBondContact OG-O 2.78Å; V1386-S1450 WeakPolarHBondContact CG1-O 3.44Å; L1387-S1450 WeakPolarHBondContact O-CB 3.25Å; L1387-S1450 PolarHBondContact O-N 2.73Å; N1448-S1450 PolarHBondContact O-N 3.34Å; S1450-Q1452 PolarHBondContact OG-N 3.18Å; S1450-V1462 WeakPolarHBondContact CB-O 3.42Å; S1450-V1462 VanDerWaalsContact OG-CB 3.29Å; S1450-V1462 WeakPolarHBondContact OG-CB 3.35Å; S1450-V1462 WeakPolarHBondContact OG-CG1 3.14Å; S1450-V1462 PolarHBondContact OG-O 2.69Å; S1450-L1463 WeakPolarHBondContact CB-O 3.3Å; S1450-L1463 PolarHBondContact OG-N 3.11Å; S1450-L1463 PolarHBondContact OG-O 2.86Å; S1450-N1524 WeakPolarHBondContact O-CB 3.34Å
1451	T	27.1	Very low	30.1	Very low	87 Å²	87	94.5 Å²	94.5	53%	0.534	52%	0.521	S	S	.	.			trans	-136.2	139.3	158.4	44.3	0	0	0	0	111.2	V1416 N1448 T1449 T1453 V1492 N1524 Q1528	V1416-T1451 HydrophobicContact CB-CG2 3.79Å; V1416-T1451 VanDerWaalsContact CG1-C 3.46Å; V1416-T1451 HydrophobicContact CG2-CG2 3.34Å; N1448-T1451 PolarHBondContact OD1-O 3.47Å; T1449-T1451 HydrophobicContact CG2-CG2 4.18Å; T1451-T1453 PolarHBondContact O-N 3.19Å; T1451-V1492 HydrophobicContact CG2-CB 3.86Å; T1451-V1492 HydrophobicContact CG2-CG1 4.32Å; T1451-V1492 HydrophobicContact CG2-CG2 4.14Å; T1451-V1492 WeakPolarHBondContact OG1-CB 3.33Å; T1451-V1492 WeakPolarHBondContact OG1-CG1 3.26Å; T1451-V1492 WeakPolarHBondContact OG1-CG2 3.48Å; T1451-N1524 PolarHBondContact N-ND2 3.22Å; T1451-N1524 VanDerWaalsContact N-ND2 3.16Å; T1451-N1524 PolarHBondContact O-ND2 2.82Å; T1451-Q1528 PolarHBondContact OG1-OE1 3.05Å
1452	Q	26.1	Very low	30.4	Very low	96.2 Å²	96.2	93.7 Å²	93.7	45%	0.45	52%	0.517	S	S	.	.			trans	-147.8	0	168.8	-173	-166.8	-10.3	0	0	114	Q1376 T1377 F1417 H1418 S1450 D1454 V1462 V1492 F1493 H1494 T1529 D1530 H1570	Q1376-Q1452 WeakPolarHBondContact CA-O 3.36Å; Q1376-Q1452 WeakPolarHBondContact CB-O 3.25Å; Q1376-Q1452 VanDerWaalsContact CG-O 3.28Å; Q1376-Q1452 WeakPolarHBondContact CG-O 3.47Å; T1377-Q1452 PolarHBondContact N-O 3.47Å; F1417-Q1452 CarbonylContact C-O 3.54Å; F1417-Q1452 VanDerWaalsContact CA-C 3.46Å; F1417-Q1452 CarbonylContact O-C 3.58Å; H1418-Q1452 WeakPolarHBondContact CA-O 3.39Å; H1418-Q1452 PolarHBondContact CE1-O 2.91Å; H1418-Q1452 PolarHBondContact N-O 3.03Å; H1418-Q1452 PolarHBondContact ND1-O 2.73Å; H1418-Q1452 PolarHBondContact NE2-O 3.28Å; S1450-Q1452 PolarHBondContact OG-N 3.18Å; Q1452-D1454 PolarHBondContact NE2-OD1 3.1Å; Q1452-V1462 HydrophobicContact CB-CG2 4.49Å; Q1452-V1492 VanDerWaalsContact CA-C 3.5Å; Q1452-V1492 WeakPolarHBondContact CA-O 3.27Å; Q1452-V1492 HydrophobicContact CB-CG1 4.04Å; Q1452-V1492 HydrophobicContact CG-CG1 3.28Å; Q1452-V1492 PolarHBondContact N-O 3.17Å; Q1452-V1492 VanDerWaalsContact NE2-CG1 3.32Å; Q1452-F1493 VanDerWaalsContact NE2-C 3.29Å; Q1452-F1493 PolarHBondContact NE2-O 3.22Å; Q1452-H1494 VanDerWaalsContact C-CB 3.45Å; Q1452-H1494 VanDerWaalsContact CA-N 3.32Å; Q1452-H1494 HydrophobicContact CB-CB 3.64Å; Q1452-H1494 VanDerWaalsContact CB-N 3.27Å; Q1452-H1494 WeakPolarHBondContact CB-ND1 2.9Å; Q1452-H1494 VanDerWaalsContact O-CB 3.31Å; Q1452-H1494 WeakPolarHBondContact O-CB 3.47Å; Q1452-H1494 PolarHBondContact O-ND1 3.46Å; Q1452-T1529 HydrophobicContact CG-CG2 4.42Å; Q1452-D1530 VanDerWaalsContact NE2-N 3.2Å; Q1452-D1530 PolarHBondContact NE2-O 2.86Å; Q1452-H1570 VanDerWaalsContact CD-CE1 3.43Å; Q1452-H1570 PolarHBondContact NE2-ND1 2.82Å; Q1452-H1570 PolarHBondContact OE1-CE1 3.07Å; Q1452-H1570 PolarHBondContact OE1-ND1 2.8Å
1453	T	28	Very low	30.9	Very low	86.4 Å²	86.4	91.5 Å²	91.5	53%	0.53	51%	0.506	S	S	.	.				0	131.9	0	-42.3	0	0	0	0	112.6	T1377 D1378 F1417 H1418 T1419 T1451 P1455 F1493 H1494 Q1528	T1377-T1453 PolarHBondContact N-OG1 2.99Å; T1377-T1453 WeakPolarHBondContact O-CA 3.16Å; T1377-T1453 VanDerWaalsContact O-CG2 3.23Å; T1377-T1453 WeakPolarHBondContact O-CG2 3.22Å; D1378-T1453 WeakPolarHBondContact O-CG2 3.41Å; F1417-T1453 VanDerWaalsContact CA-N 3.31Å; F1417-T1453 WeakPolarHBondContact CA-OG1 3.04Å; F1417-T1453 WeakPolarHBondContact CB-OG1 3.46Å; F1417-T1453 WeakPolarHBondContact CD1-OG1 3.33Å; F1417-T1453 WeakPolarHBondContact CG-OG1 3.38Å; F1417-T1453 PolarHBondContact O-N 3.22Å; H1418-T1453 VanDerWaalsContact C-CG2 3.42Å; H1418-T1453 PolarHBondContact N-OG1 2.8Å; H1418-T1453 WeakPolarHBondContact O-CG2 3.11Å; T1419-T1453 WeakPolarHBondContact OG1-CG2 3.11Å; T1451-T1453 PolarHBondContact O-N 3.19Å; T1453-P1455 HydrophobicContact CG2-CB 4.33Å; T1453-F1493 CarbonylContact O-C 3.51Å; T1453-F1493 WeakPolarHBondContact O-CA 2.99Å; T1453-F1493 WeakPolarHBondContact O-CB 2.99Å; T1453-F1493 WeakPolarHBondContact O-CD1 3.24Å; T1453-F1493 WeakPolarHBondContact O-CG 3.07Å; T1453-H1494 CarbonylContact C-O 3.49Å; T1453-H1494 WeakPolarHBondContact CA-O 3.34Å; T1453-H1494 PolarHBondContact N-O 3.43Å; T1453-H1494 PolarHBondContact O-N 3.45Å; T1453-Q1528 PolarHBondContact OG1-NE2 3.19Å
1454	D	30.3	Very low	31.5	Very low	84.2 Å²	84.2	85.9 Å²	85.9	45%	0.45	49%	0.49	S	S	.	.			trans	-104.7	137.4	179.3	-86	-60	0	0	0	112.6	D1378 T1419 Q1452 M1456 A1457 H1494 T1495 D1530 P1531 H1570 T1571	D1378-D1454 CarbonylContact C-O 3.23Å; T1419-D1454 WeakPolarHBondContact CB-O 3.46Å; T1419-D1454 WeakPolarHBondContact CG2-O 3.18Å; T1419-D1454 PolarHBondContact OG1-O 2.89Å; Q1452-D1454 PolarHBondContact NE2-OD1 3.1Å; D1454-M1456 PolarHBondContact O-N 3.18Å; D1454-M1456 PolarHBondContact OD2-N 2.91Å; D1454-A1457 HydrophobicContact CB-CB 3.98Å; D1454-A1457 VanDerWaalsContact CG-CA 3.44Å; D1454-A1457 VanDerWaalsContact OD1-CA 3.29Å; D1454-A1457 WeakPolarHBondContact OD1-CA 3.05Å; D1454-A1457 VanDerWaalsContact OD1-CB 3.24Å; D1454-A1457 WeakPolarHBondContact OD1-CB 3.46Å; D1454-A1457 VanDerWaalsContact OD2-CA 3.27Å; D1454-A1457 WeakPolarHBondContact OD2-CA 3.42Å; D1454-A1457 PolarHBondContact OD2-N 3.37Å; D1454-H1494 PolarHBondContact N-O 3.09Å; D1454-T1495 HydrophobicContact CB-CG2 3.85Å; D1454-T1495 WeakPolarHBondContact CB-OG1 3.31Å; D1454-T1495 VanDerWaalsContact CG-OG1 3.3Å; D1454-T1495 PolarHBondContact OD2-N 3.28Å; D1454-T1495 PolarHBondContact OD2-OG1 3.4Å; D1454-D1530 WeakPolarHBondContact OD1-CB 2.85Å; D1454-P1531 VanDerWaalsContact CG-CD 3.48Å; D1454-P1531 WeakPolarHBondContact OD1-CD 3.49Å; D1454-P1531 VanDerWaalsContact OD1-N 3.16Å; D1454-H1570 VanDerWaalsContact OD2-C 3.32Å; D1454-T1571 WeakPolarHBondContact OD2-CA 3.42Å; D1454-T1571 WeakPolarHBondContact OD2-CB 3.5Å; D1454-T1571 PolarHBondContact OD2-N 3.07Å; D1454-T1571 PolarHBondContact OD2-OG1 2.91Å
1455	P	31	Very low	32.5	Very low	86 Å²	86	83.9 Å²	83.9	56%	0.558	48%	0.479	S	S	*	.			trans	-96.9	133.5	177.6	30.8	-27.2	0	0	0	114.3	M1380 T1453 A1457 P1531 M1532	M1380-P1455 VanDerWaalsContact CB-O 3.26Å; M1380-P1455 WeakPolarHBondContact CB-O 3.43Å; T1453-P1455 HydrophobicContact CG2-CB 4.33Å; P1455-A1457 PolarHBondContact O-N 3.21Å; P1455-P1531 HydrophobicContact CB-CG 4.18Å; P1455-P1531 HydrophobicContact CG-CG 3.59Å; P1455-M1532 HydrophobicContact CB-CE 4.23Å; P1455-M1532 HydrophobicContact CB-SD 3.85Å; P1455-M1532 HydrophobicContact CG-CE 4.49Å; P1455-M1532 HydrophobicContact CG-SD 3.8Å
1456	M	29.7	Very low	34.2	Very low	163 Å²	163	82 Å²	82	80%	0.803	47%	0.465	S	S	*	.			trans	-101.3	94.3	-179.5	-76.6	174.7	58.5	0	0	114.2	D1378 D1454	D1378-M1456 PolarHBondContact OD1-N 3.06Å; D1454-M1456 PolarHBondContact O-N 3.18Å; D1454-M1456 PolarHBondContact OD2-N 2.91Å
1457	A	32.3	Very low	35.7	Very low	55.4 Å²	55.4	79.1 Å²	79.1	46%	0.458	45%	0.447	S	S	.	.			trans	-89.7	129.2	175.3	0	0	0	0	0	116.3	P1379 M1380 Q1382 D1454 P1455 V1459	P1379-A1457 HydrophobicContact CG-CB 4.13Å; P1379-A1457 WeakPolarHBondContact O-CB 3.16Å; M1380-A1457 HydrophobicContact CG-CB 3.63Å; Q1382-A1457 HydrophobicContact CB-CB 4.08Å; Q1382-A1457 PolarHBondContact NE2-O 2.8Å; Q1382-A1457 PolarHBondContact OE1-O 3.25Å; D1454-A1457 HydrophobicContact CB-CB 3.98Å; D1454-A1457 VanDerWaalsContact CG-CA 3.44Å; D1454-A1457 VanDerWaalsContact OD1-CA 3.29Å; D1454-A1457 WeakPolarHBondContact OD1-CA 3.05Å; D1454-A1457 VanDerWaalsContact OD1-CB 3.24Å; D1454-A1457 WeakPolarHBondContact OD1-CB 3.46Å; D1454-A1457 VanDerWaalsContact OD2-CA 3.27Å; D1454-A1457 WeakPolarHBondContact OD2-CA 3.42Å; D1454-A1457 PolarHBondContact OD2-N 3.37Å; P1455-A1457 PolarHBondContact O-N 3.21Å; A1457-V1459 HydrophobicContact CB-CG2 4.38Å; A1457-V1459 PolarHBondContact O-N 3.04Å
1458	Q	29.1	Very low	37.9	Very low	155.2 Å²	155.2	76.1 Å²	76.1	73%	0.725	43%	0.433	S	S	*	.			trans	-108.8	106.3	161	-74.8	168.2	21.6	0	0	113.1	D1530 A1533 V1535	Q1458-D1530 VanDerWaalsContact C-OD2 3.26Å; Q1458-D1530 VanDerWaalsContact CA-OD2 3.26Å; Q1458-D1530 WeakPolarHBondContact CA-OD2 3.34Å; Q1458-D1530 PolarHBondContact N-OD2 2.75Å; Q1458-A1533 HydrophobicContact CB-CB 4.39Å; Q1458-V1535 HydrophobicContact CB-CG2 3.91Å
1459	V	31	Very low	40.1	Very low	64.4 Å²	64.4	74.1 Å²	74.1	39%	0.39	42%	0.422	S	S	.	.			trans	-109.7	128.5	177.1	-176.6	0	0	0	0	112.4	Q1382 V1383 P1384 A1457 T1461 D1530	Q1382-V1459 HydrophobicContact CB-CG2 3.69Å; Q1382-V1459 HydrophobicContact CG-CG2 3.72Å; Q1382-V1459 WeakPolarHBondContact O-CG2 3.44Å; V1383-V1459 WeakPolarHBondContact O-CG1 3.2Å; P1384-V1459 HydrophobicContact CB-CB 4.49Å; P1384-V1459 HydrophobicContact CB-CG1 4.27Å; P1384-V1459 HydrophobicContact CG-CB 4.21Å; P1384-V1459 HydrophobicContact CG-CG1 3.81Å; A1457-V1459 HydrophobicContact CB-CG2 4.38Å; A1457-V1459 PolarHBondContact O-N 3.04Å; V1459-T1461 VanDerWaalsContact C-N 3.34Å; V1459-T1461 PolarHBondContact O-N 3.06Å; V1459-T1461 VanDerWaalsContact O-N 3.16Å; V1459-D1530 PolarHBondContact N-OD2 3.36Å
1460	P	31.9	Very low	42.3	Very low	60.6 Å²	60.6	71.4 Å²	71.4	39%	0.394	41%	0.405	S	S	.	.			trans	-74.4	132.3	170.9	3.7	4	0	0	0	112.5	P1384 V1462 D1530 V1535	P1384-P1460 VanDerWaalsContact CB-O 3.31Å; P1384-P1460 WeakPolarHBondContact CB-O 3.37Å; P1460-V1462 PolarHBondContact O-N 3.09Å; P1460-D1530 HydrophobicContact CG-CB 3.6Å; P1460-V1535 HydrophobicContact CB-CG1 4.13Å; P1460-V1535 HydrophobicContact CG-CG1 4Å
1461	T	31.3	Very low	44.6	Very low	78 Å²	78	69.1 Å²	69.1	48%	0.479	39%	0.389	S	S	.	.			trans	-88.4	119.9	168.8	-60.4	0	0	0	0	109.8	T1385 L1387 V1459 L1463	T1385-T1461 HydrophobicContact CG2-CG2 4.2Å; T1385-T1461 CarbonylContact O-C 2.83Å; T1385-T1461 VanDerWaalsContact O-CA 3.3Å; T1385-T1461 WeakPolarHBondContact O-CA 3.37Å; L1387-T1461 HydrophobicContact CD1-CG2 3.55Å; L1387-T1461 VanDerWaalsContact CD1-CG2 3.49Å; V1459-T1461 VanDerWaalsContact C-N 3.34Å; V1459-T1461 PolarHBondContact O-N 3.06Å; V1459-T1461 VanDerWaalsContact O-N 3.16Å; T1461-L1463 HydrophobicContact CG2-CD2 4.19Å; T1461-L1463 HydrophobicContact CG2-CG 4.23Å; T1461-L1463 PolarHBondContact O-N 2.85Å
1462	V	39.8	Very low	46.7	Very low	64.8 Å²	64.8	67.3 Å²	67.3	39%	0.393	38%	0.377	S	S	.	.	B	Isolated β-bridge	trans	-94	114.4	178.5	-173.2	0	0	0	0	109.5	T1385 V1386 L1387 S1450 Q1452 P1460 T1527 Q1528	T1385-V1462 PolarHBondContact O-N 2.95Å; V1386-V1462 HydrophobicContact CG2-CB 4.15Å; V1386-V1462 HydrophobicContact CG2-CG2 4.17Å; L1387-V1462 WeakPolarHBondContact CB-O 3.38Å; L1387-V1462 PolarHBondContact N-O 3.35Å; L1387-V1462 VanDerWaalsContact N-O 3.15Å; S1450-V1462 WeakPolarHBondContact CB-O 3.42Å; S1450-V1462 VanDerWaalsContact OG-CB 3.29Å; S1450-V1462 WeakPolarHBondContact OG-CB 3.35Å; S1450-V1462 WeakPolarHBondContact OG-CG1 3.14Å; S1450-V1462 PolarHBondContact OG-O 2.69Å; Q1452-V1462 HydrophobicContact CB-CG2 4.49Å; P1460-V1462 PolarHBondContact O-N 3.09Å; V1462-T1527 HydrophobicContact CG1-CG2 3.87Å; V1462-Q1528 HydrophobicContact CG1-CB 4.19Å; V1462-Q1528 WeakPolarHBondContact CG1-O 3.19Å
1463	L	43.8	Very low	48.8	Very low	52.8 Å²	52.8	64.6 Å²	64.6	28%	0.276	37%	0.365	S	S	.	.			trans	-76.7	153.9	-179.5	-60.9	164	0	0	0	111.8	L1387 S1450 T1461 K1465 T1525 T1537 V1538 L1539 P1540	L1387-L1463 HydrophobicContact CD1-CB 3.86Å; L1387-L1463 HydrophobicContact CD1-CD2 3.99Å; L1387-L1463 HydrophobicContact CD1-CG 4.42Å; S1450-L1463 WeakPolarHBondContact CB-O 3.3Å; S1450-L1463 PolarHBondContact OG-N 3.11Å; S1450-L1463 PolarHBondContact OG-O 2.86Å; T1461-L1463 HydrophobicContact CG2-CD2 4.19Å; T1461-L1463 HydrophobicContact CG2-CG 4.23Å; T1461-L1463 PolarHBondContact O-N 2.85Å; L1463-K1465 PolarHBondContact O-N 3.1Å; L1463-T1525 VanDerWaalsContact C-CG2 3.46Å; L1463-T1525 HydrophobicContact CB-CG2 3.8Å; L1463-T1525 HydrophobicContact CG-CG2 4.39Å; L1463-T1537 HydrophobicContact CD1-CG2 3.97Å; L1463-V1538 HydrophobicContact CD1-CB 4.06Å; L1463-V1538 VanDerWaalsContact CD1-O 3.31Å; L1463-V1538 WeakPolarHBondContact CD1-O 3.01Å; L1463-V1538 HydrophobicContact CG-CB 4.06Å; L1463-V1538 HydrophobicContact CG-CG2 4.1Å; L1463-L1539 HydrophobicContact CD1-CG 4.35Å; L1463-P1540 HydrophobicContact CB-CB 4Å; L1463-P1540 HydrophobicContact CB-CG 4.09Å; L1463-P1540 HydrophobicContact CD1-CG 4.13Å
1464	P	44.2	Very low	50.7	Low	34.6 Å²	34.6	62.7 Å²	62.7	23%	0.225	36%	0.355	C	S	.	.			trans	-73.2	133.2	-165.9	28	-35.2	0	0	0	114.4	E1337 L1387 P1388 N1448 T1449 T1466 N1524 T1525 P1540	E1337-P1464 WeakPolarHBondContact OE1-CG 3.06Å; L1387-P1464 HydrophobicContact CB-CB 4.18Å; L1387-P1464 HydrophobicContact CB-CG 4.2Å; P1388-P1464 WeakPolarHBondContact O-CB 3.4Å; N1448-P1464 HydrophobicContact CB-CB 3.57Å; N1448-P1464 HydrophobicContact CB-CG 4.48Å; N1448-P1464 CarbonylContact O-C 3.6Å; N1448-P1464 WeakPolarHBondContact O-CA 3.11Å; N1448-P1464 WeakPolarHBondContact O-CB 3.45Å; N1448-P1464 PolarHBondContact OD1-O 2.89Å; T1449-P1464 CarbonylContact O-C 3.54Å; T1449-P1464 VanDerWaalsContact O-CA 3.31Å; T1449-P1464 WeakPolarHBondContact O-CA 3.21Å; P1464-T1466 PolarHBondContact O-N 2.87Å; P1464-N1524 CarbonylContact O-C 3.14Å; P1464-T1525 WeakPolarHBondContact CD-OG1 3.47Å; P1464-T1525 VanDerWaalsContact N-OG1 3.14Å; P1464-T1525 WeakPolarHBondContact O-CA 3.33Å; P1464-T1525 WeakPolarHBondContact O-CB 3.47Å; P1464-T1525 PolarHBondContact O-N 2.87Å; P1464-T1525 PolarHBondContact O-OG1 2.97Å; P1464-T1525 VanDerWaalsContact O-OG1 3.11Å; P1464-P1540 VanDerWaalsContact O-CB 3.27Å; P1464-P1540 WeakPolarHBondContact O-CB 3.39Å
1465	K	54.3	Low	52.6	Low	66.2 Å²	66.2	59.4 Å²	59.4	29%	0.288	34%	0.341	S	S	.	.			trans	-101.2	122	171.3	-174.3	-146.8	177.7	-150.7	0	111.9	K1389 T1390 E1447 T1449 L1463 T1467 E1523 T1525 K1541 T1542 T1543	K1389-K1465 HydrophobicContact CG-CB 4.45Å; K1389-K1465 WeakPolarHBondContact CG-O 3.36Å; T1390-K1465 PolarHBondContact N-O 2.84Å; E1447-K1465 CarbonylContact O-C 3.52Å; E1447-K1465 WeakPolarHBondContact O-CA 3.23Å; T1449-K1465 VanDerWaalsContact CA-O 3.25Å; T1449-K1465 WeakPolarHBondContact CA-O 3.46Å; T1449-K1465 WeakPolarHBondContact CB-O 3.36Å; T1449-K1465 PolarHBondContact N-O 2.9Å; T1449-K1465 PolarHBondContact O-N 2.77Å; T1449-K1465 PolarHBondContact OG1-O 2.78Å; L1463-K1465 PolarHBondContact O-N 3.1Å; K1465-T1467 HydrophobicContact CD-CG2 3.91Å; K1465-T1467 VanDerWaalsContact CE-CG2 3.47Å; K1465-T1467 WeakPolarHBondContact CE-OG1 3.47Å; K1465-T1467 HydrophobicContact CG-CG2 4.29Å; K1465-T1467 PolarHBondContact NZ-OG1 2.93Å; K1465-E1523 IonicContact NZ-OE2 3.95Å; K1465-E1523 PolarHBondContact NZ-OE2 3.42Å; K1465-T1525 WeakPolarHBondContact CB-O 3.36Å; K1465-T1525 WeakPolarHBondContact CG-O 3.19Å; K1465-K1541 WeakPolarHBondContact CE-O 3.38Å; K1465-K1541 HydrophobicContact CG-CB 4.23Å; K1465-K1541 WeakPolarHBondContact CG-O 3.27Å; K1465-T1542 WeakPolarHBondContact CE-O 3.23Å; K1465-T1543 PolarHBondContact NZ-OG1 3.11Å
1466	T	64.1	Low	54.3	Low	26.6 Å²	26.6	57.4 Å²	57.4	16%	0.163	33%	0.327	C	S	.	.			trans	-93.7	154.8	172.8	-60.7	0	0	0	0	111.5	K1389 T1390 T1391 F1392 E1447 N1448 T1449 P1464 F1468 E1523 T1543	K1389-T1466 PolarHBondContact NZ-OG1 2.91Å; T1390-T1466 WeakPolarHBondContact O-CA 3.47Å; T1390-T1466 WeakPolarHBondContact O-CG2 3.5Å; T1390-T1466 PolarHBondContact O-OG1 3.2Å; T1390-T1466 VanDerWaalsContact O-OG1 3.07Å; T1391-T1466 HydrophobicContact CG2-CG2 4.07Å; F1392-T1466 HydrophobicContact CD2-CG2 4.42Å; F1392-T1466 HydrophobicContact CE2-CG2 4.29Å; E1447-T1466 HydrophobicContact CB-CG2 4.17Å; E1447-T1466 VanDerWaalsContact CD-CG2 3.44Å; E1447-T1466 HydrophobicContact CG-CG2 4.42Å; E1447-T1466 PolarHBondContact O-N 2.94Å; E1447-T1466 WeakPolarHBondContact OE1-CG2 3.41Å; E1447-T1466 WeakPolarHBondContact OE2-CB 3.29Å; E1447-T1466 VanDerWaalsContact OE2-CG2 3.32Å; E1447-T1466 WeakPolarHBondContact OE2-CG2 3.42Å; E1447-T1466 PolarHBondContact OE2-OG1 2.73Å; N1448-T1466 VanDerWaalsContact N-CB 3.32Å; N1448-T1466 PolarHBondContact N-OG1 2.79Å; T1449-T1466 PolarHBondContact N-OG1 3.02Å; T1449-T1466 WeakPolarHBondContact OG1-CA 3.39Å; T1449-T1466 PolarHBondContact OG1-OG1 3.15Å; P1464-T1466 PolarHBondContact O-N 2.87Å; T1466-F1468 HydrophobicContact CG2-CD2 4.19Å; T1466-F1468 HydrophobicContact CG2-CE1 4.29Å; T1466-F1468 HydrophobicContact CG2-CE2 3.63Å; T1466-F1468 VanDerWaalsContact CG2-CE2 3.48Å; T1466-F1468 HydrophobicContact CG2-CZ 3.81Å; T1466-E1523 VanDerWaalsContact C-OE1 3.23Å; T1466-E1523 WeakPolarHBondContact CA-OE1 3.49Å; T1466-E1523 WeakPolarHBondContact CB-OE1 3.47Å; T1466-E1523 PolarHBondContact N-OE1 3.42Å; T1466-E1523 VanDerWaalsContact N-OE1 3.11Å; T1466-T1543 PolarHBondContact O-N 2.94Å
1467	T	65.9	Low	56.1	Low	25.6 Å²	25.6	50.8 Å²	50.8	16%	0.157	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	132	-177.3	41.8	0	0	0	0	109.5	K1389 T1390 T1391 F1392 K1465 E1523 T1543	K1389-T1467 PolarHBondContact NZ-OG1 2.86Å; T1390-T1467 PolarHBondContact O-N 3.17Å; T1391-T1467 WeakPolarHBondContact CA-O 3.4Å; T1391-T1467 WeakPolarHBondContact CB-OG1 3.48Å; T1391-T1467 VanDerWaalsContact CG2-OG1 3.28Å; T1391-T1467 WeakPolarHBondContact CG2-OG1 3.15Å; T1391-T1467 PolarHBondContact OG1-OG1 3.09Å; F1392-T1467 PolarHBondContact N-O 2.84Å; K1465-T1467 HydrophobicContact CD-CG2 3.91Å; K1465-T1467 VanDerWaalsContact CE-CG2 3.47Å; K1465-T1467 WeakPolarHBondContact CE-OG1 3.47Å; K1465-T1467 HydrophobicContact CG-CG2 4.29Å; K1465-T1467 PolarHBondContact NZ-OG1 2.93Å; T1467-E1523 PolarHBondContact N-OE1 2.98Å; T1467-T1543 WeakPolarHBondContact CA-OG1 3.09Å; T1467-T1543 WeakPolarHBondContact CG2-OG1 3.43Å; T1467-T1543 PolarHBondContact OG1-OG1 2.94Å
1468	F	72.7	Confident	57.6	Low	41.8 Å²	41.8	50.8 Å²	50.8	18%	0.183	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	116.1	174.6	-63.3	-83.3	0	0	0	109.7	F1392 V1395 R1443 S1445 E1447 T1466 V1470 V1471 E1523 T1542 T1543 F1544 D1545	F1392-F1468 HydrophobicContact CB-CD1 3.79Å; F1392-F1468 HydrophobicContact CB-CE1 4.14Å; F1392-F1468 HydrophobicContact CB-CZ 4.48Å; F1392-F1468 AromaticContact CD2-CD1 3.62Å; F1392-F1468 HydrophobicContact CD2-CD1 3.62Å; F1392-F1468 AromaticContact CD2-CE1 3.25Å; F1392-F1468 HydrophobicContact CD2-CE1 3.25Å; F1392-F1468 HydrophobicContact CD2-CG 4.44Å; F1392-F1468 AromaticContact CD2-CZ 3.88Å; F1392-F1468 HydrophobicContact CD2-CZ 3.88Å; F1392-F1468 HydrophobicContact CE2-CD1 4.4Å; F1392-F1468 AromaticContact CE2-CE1 3.64Å; F1392-F1468 HydrophobicContact CE2-CE1 3.64Å; F1392-F1468 AromaticContact CE2-CZ 3.91Å; F1392-F1468 HydrophobicContact CE2-CZ 3.95Å; F1392-F1468 AromaticContact CG-CD1 3.91Å; F1392-F1468 HydrophobicContact CG-CD1 3.91Å; F1392-F1468 AromaticContact CG-CE1 3.82Å; F1392-F1468 HydrophobicContact CG-CE1 3.82Å; F1392-F1468 HydrophobicContact CZ-CE1 4.43Å; F1392-F1468 WeakPolarHBondContact O-CA 3.09Å; V1395-F1468 HydrophobicContact CG2-CD1 3.96Å; V1395-F1468 HydrophobicContact CG2-CE1 4.28Å; R1443-F1468 VanDerWaalsContact NH1-CD1 3.27Å; S1445-F1468 WeakPolarHBondContact O-CE2 3.2Å; S1445-F1468 WeakPolarHBondContact OG-CE2 3.24Å; S1445-F1468 WeakPolarHBondContact OG-CZ 3.3Å; E1447-F1468 HydrophobicContact CB-CE2 3.5Å; E1447-F1468 VanDerWaalsContact CB-CE2 3.5Å; E1447-F1468 HydrophobicContact CB-CZ 3.42Å; E1447-F1468 VanDerWaalsContact CB-CZ 3.42Å; E1447-F1468 HydrophobicContact CG-CE2 4.23Å; E1447-F1468 HydrophobicContact CG-CZ 3.62Å; E1447-F1468 WeakPolarHBondContact OE1-CZ 3.49Å; T1466-F1468 HydrophobicContact CG2-CD2 4.19Å; T1466-F1468 HydrophobicContact CG2-CE1 4.29Å; T1466-F1468 HydrophobicContact CG2-CE2 3.63Å; T1466-F1468 VanDerWaalsContact CG2-CE2 3.48Å; T1466-F1468 HydrophobicContact CG2-CZ 3.81Å; F1468-V1470 PolarHBondContact O-N 3.15Å; F1468-V1471 HydrophobicContact CB-CG2 3.84Å; F1468-V1471 HydrophobicContact CD1-CG2 4.17Å; F1468-V1471 HydrophobicContact CG-CG2 4.09Å; F1468-E1523 HydrophobicContact CD2-CG 4.14Å; F1468-E1523 WeakPolarHBondContact CD2-OE1 3.13Å; F1468-E1523 HydrophobicContact CE2-CG 3.91Å; F1468-E1523 VanDerWaalsContact CE2-OE1 3.26Å; F1468-E1523 WeakPolarHBondContact CE2-OE1 3Å; F1468-T1542 HydrophobicContact CD2-CG2 4.28Å; F1468-T1542 HydrophobicContact CE2-CG2 4.19Å; F1468-T1543 PolarHBondContact N-O 3.16Å; F1468-T1543 VanDerWaalsContact N-O 3.08Å; F1468-F1544 HydrophobicContact CB-CD1 3.77Å; F1468-F1544 HydrophobicContact CB-CE1 4.15Å; F1468-F1544 AromaticContact CD2-CD1 3.69Å; F1468-F1544 HydrophobicContact CD2-CD1 3.76Å; F1468-F1544 AromaticContact CD2-CE1 3.31Å; F1468-F1544 HydrophobicContact CD2-CE1 3.31Å; F1468-F1544 VanDerWaalsContact CD2-CE1 3.45Å; F1468-F1544 HydrophobicContact CD2-CG 4.47Å; F1468-F1544 AromaticContact CD2-CZ 3.93Å; F1468-F1544 HydrophobicContact CD2-CZ 3.94Å; F1468-F1544 HydrophobicContact CE2-CD1 4.44Å; F1468-F1544 AromaticContact CE2-CE1 3.75Å; F1468-F1544 HydrophobicContact CE2-CE1 3.85Å; F1468-F1544 AromaticContact CE2-CZ 3.94Å; F1468-F1544 HydrophobicContact CE2-CZ 4.09Å; F1468-F1544 AromaticContact CG-CD1 3.95Å; F1468-F1544 HydrophobicContact CG-CD1 4.03Å; F1468-F1544 AromaticContact CG-CE1 3.83Å; F1468-F1544 HydrophobicContact CG-CE1 3.88Å; F1468-F1544 HydrophobicContact CZ-CE1 4.43Å; F1468-F1544 VanDerWaalsContact O-CA 3.26Å; F1468-F1544 WeakPolarHBondContact O-CA 3.25Å; F1468-D1545 PolarHBondContact N-OD1 2.91Å; F1468-D1545 PolarHBondContact N-OD2 2.86Å; F1468-D1545 PolarHBondContact O-N 3.04Å; F1468-D1545 VanDerWaalsContact O-N 3.1Å
1469	D	75.8	Confident	59.2	Low	59.4 Å²	59.4	44.3 Å²	44.3	32%	0.318	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-10.7	179.7	-126.9	10.8	0	0	0	109.3	F1392 D1393 V1394 D1545 V1546	F1392-D1469 PolarHBondContact O-N 2.94Å; F1392-D1469 VanDerWaalsContact O-N 3.08Å; D1393-D1469 WeakPolarHBondContact O-CB 3.48Å; V1394-D1469 PolarHBondContact N-O 3.02Å; D1469-D1545 PolarHBondContact N-OD2 2.86Å; D1469-D1545 VanDerWaalsContact N-OD2 3.12Å; D1469-D1545 CarbonylContact O-C 3.58Å; D1469-D1545 WeakPolarHBondContact O-CB 3.25Å; D1469-V1546 PolarHBondContact O-N 3.12Å
1470	V	72.8	Confident	60.3	Low	43.8 Å²	43.8	42.9 Å²	42.9	27%	0.265	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	116.1	179.7	-174.2	0	0	0	0	111.9	D1393 V1394 V1395 F1468 T1472 D1545 V1546 V1547	D1393-V1470 PolarHBondContact O-N 3.49Å; V1394-V1470 WeakPolarHBondContact CA-O 3.47Å; V1394-V1470 HydrophobicContact CB-CG2 4.47Å; V1394-V1470 HydrophobicContact CG2-CB 4.42Å; V1394-V1470 WeakPolarHBondContact O-CA 3.46Å; V1395-V1470 PolarHBondContact N-O 3.48Å; F1468-V1470 PolarHBondContact O-N 3.15Å; V1470-T1472 WeakPolarHBondContact CG1-OG1 3.35Å; V1470-D1545 PolarHBondContact N-O 3.1Å; V1470-V1546 CarbonylContact C-O 3.58Å; V1470-V1546 WeakPolarHBondContact CA-O 3.16Å; V1470-V1546 HydrophobicContact CB-CG2 4.47Å; V1470-V1546 HydrophobicContact CG1-CB 4.45Å; V1470-V1546 HydrophobicContact CG2-CB 4.39Å; V1470-V1546 WeakPolarHBondContact O-CA 3.39Å; V1470-V1547 PolarHBondContact O-N 3.03Å
1471	V	74.6	Confident	61.3	Low	20 Å²	20	44.5 Å²	44.5	12%	0.121	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	115.4	171.6	-178.1	0	0	0	0	109.8	V1394 V1395 T1396 R1443 F1468 Q1473 F1544 V1546 V1547 T1548	V1394-V1471 PolarHBondContact O-N 2.86Å; V1395-V1471 WeakPolarHBondContact CA-O 3.4Å; V1395-V1471 WeakPolarHBondContact O-CA 3.46Å; T1396-V1471 PolarHBondContact N-O 2.76Å; R1443-V1471 WeakPolarHBondContact O-CG1 3.21Å; F1468-V1471 HydrophobicContact CB-CG2 3.84Å; F1468-V1471 HydrophobicContact CD1-CG2 4.17Å; F1468-V1471 HydrophobicContact CG-CG2 4.09Å; V1471-Q1473 HydrophobicContact CG1-CG 4.37Å; V1471-Q1473 PolarHBondContact O-N 2.78Å; V1471-F1544 HydrophobicContact CB-CD1 4.07Å; V1471-F1544 HydrophobicContact CG2-CD1 3.73Å; V1471-F1544 HydrophobicContact CG2-CE1 4.01Å; V1471-V1546 PolarHBondContact N-O 3.01Å; V1471-V1547 WeakPolarHBondContact CA-O 3.49Å; V1471-V1547 CarbonylContact O-C 3.57Å; V1471-V1547 WeakPolarHBondContact O-CA 3.2Å; V1471-T1548 PolarHBondContact O-N 2.81Å; V1471-T1548 PolarHBondContact O-OG1 2.79Å; V1471-T1548 VanDerWaalsContact O-OG1 3.12Å
1472	T	72.1	Confident	62.2	Low	48.4 Å²	48.4	41.8 Å²	41.8	30%	0.297	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	115.8	-179.9	-55.3	0	0	0	0	111	V1395 T1396 Q1397 V1470 S1474 R1519 V1547 T1548 Q1549	V1395-T1472 PolarHBondContact O-N 3.45Å; T1396-T1472 WeakPolarHBondContact CA-O 3.33Å; T1396-T1472 CarbonylContact O-C 3.59Å; T1396-T1472 WeakPolarHBondContact O-CA 3.38Å; Q1397-T1472 PolarHBondContact N-O 2.91Å; Q1397-T1472 PolarHBondContact NE2-OG1 2.99Å; Q1397-T1472 PolarHBondContact OE1-O 3.38Å; V1470-T1472 WeakPolarHBondContact CG1-OG1 3.35Å; T1472-S1474 PolarHBondContact O-N 3.26Å; T1472-R1519 VanDerWaalsContact O-CZ 3.31Å; T1472-R1519 PolarHBondContact O-NH1 2.8Å; T1472-R1519 PolarHBondContact O-NH2 3.09Å; T1472-V1547 PolarHBondContact N-O 3.02Å; T1472-T1548 CarbonylContact C-O 3.26Å; T1472-T1548 WeakPolarHBondContact CA-O 3.4Å; T1472-T1548 WeakPolarHBondContact O-CA 3.34Å; T1472-Q1549 PolarHBondContact O-N 2.96Å
1473	Q	69.9	Low	62.8	Low	39.4 Å²	39.4	41.4 Å²	41.4	18%	0.184	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	132.6	177.4	-72.5	-161.4	22	0	0	111.3	T1396 Q1397 S1398 V1471 R1519 Q1520 V1547 T1548 Q1549 S1550	T1396-Q1473 PolarHBondContact O-N 3.04Å; Q1397-Q1473 CarbonylContact C-O 3.54Å; Q1397-Q1473 WeakPolarHBondContact CA-O 3.38Å; Q1397-Q1473 HydrophobicContact CB-CG 4.5Å; Q1397-Q1473 HydrophobicContact CG-CB 4.4Å; S1398-Q1473 PolarHBondContact N-O 3.19Å; V1471-Q1473 HydrophobicContact CG1-CG 4.37Å; V1471-Q1473 PolarHBondContact O-N 2.78Å; Q1473-R1519 HydrophobicContact CB-CB 4.01Å; Q1473-R1519 HydrophobicContact CG-CB 4.29Å; Q1473-R1519 VanDerWaalsContact OE1-NH1 3.11Å; Q1473-Q1520 PolarHBondContact NE2-O 2.69Å; Q1473-V1547 WeakPolarHBondContact CG-O 3.24Å; Q1473-T1548 HydrophobicContact CB-CG2 3.95Å; Q1473-T1548 WeakPolarHBondContact CG-O 3.19Å; Q1473-T1548 PolarHBondContact N-O 3.24Å; Q1473-Q1549 WeakPolarHBondContact CA-O 3.39Å; Q1473-Q1549 HydrophobicContact CB-CG 4.39Å; Q1473-Q1549 HydrophobicContact CG-CB 4.33Å; Q1473-S1550 WeakPolarHBondContact CB-OG 3.18Å; Q1473-S1550 PolarHBondContact O-N 3.39Å; Q1473-S1550 PolarHBondContact O-OG 3.08Å
1474	S	67.6	Low	62.9	Low	46.4 Å²	46.4	41.2 Å²	41.2	32%	0.324	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	146.5	173.7	151.4	0	0	0	0	111.3	Q1397 S1398 G1399 T1441 M1442 T1472 R1519 Q1549 S1550 G1551	Q1397-S1474 PolarHBondContact O-N 3.26Å; Q1397-S1474 PolarHBondContact O-OG 2.78Å; S1398-S1474 WeakPolarHBondContact CA-O 3.29Å; S1398-S1474 WeakPolarHBondContact CA-OG 3.45Å; S1398-S1474 WeakPolarHBondContact CB-OG 3.3Å; S1398-S1474 VanDerWaalsContact O-CA 3.31Å; S1398-S1474 WeakPolarHBondContact O-CA 3.41Å; S1398-S1474 WeakPolarHBondContact O-CB 3.29Å; S1398-S1474 PolarHBondContact O-OG 3.37Å; G1399-S1474 PolarHBondContact N-O 2.65Å; T1441-S1474 CarbonylContact O-C 3.46Å; M1442-S1474 VanDerWaalsContact SD-O 3.34Å; T1472-S1474 PolarHBondContact O-N 3.26Å; S1474-R1519 VanDerWaalsContact N-NH2 3.17Å; S1474-R1519 WeakPolarHBondContact O-CD 3.29Å; S1474-R1519 PolarHBondContact O-NH2 2.86Å; S1474-Q1549 PolarHBondContact N-O 2.94Å; S1474-S1550 WeakPolarHBondContact CA-O 3.43Å; S1474-S1550 VanDerWaalsContact CA-OG 3.29Å; S1474-S1550 WeakPolarHBondContact CA-OG 3.31Å; S1474-S1550 WeakPolarHBondContact CB-OG 3.25Å; S1474-S1550 PolarHBondContact N-OG 3.16Å; S1474-S1550 VanDerWaalsContact O-CA 3.3Å; S1474-S1550 WeakPolarHBondContact O-CA 3.37Å; S1474-G1551 PolarHBondContact O-N 2.92Å; S1474-G1551 VanDerWaalsContact O-N 3.1Å
1475	G	69.8	Low	62.7	Low	15.8 Å²	15.8	42 Å²	42	16%	0.163	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	152.9	178.2	0	0	0	0	0	114	S1398 G1399 T1400 A1516 T1517 S1550 G1551 T1552	S1398-G1475 PolarHBondContact O-N 2.91Å; S1398-G1475 VanDerWaalsContact O-N 3.1Å; G1399-G1475 CarbonylContact C-O 3.56Å; G1399-G1475 VanDerWaalsContact CA-O 3.31Å; G1399-G1475 WeakPolarHBondContact CA-O 3.34Å; G1399-G1475 CarbonylContact O-C 3.49Å; G1399-G1475 WeakPolarHBondContact O-CA 3.38Å; T1400-G1475 PolarHBondContact N-O 3.12Å; G1475-A1516 CarbonylContact O-C 3.42Å; G1475-T1517 WeakPolarHBondContact O-CA 3.46Å; G1475-S1550 PolarHBondContact N-O 3.4Å; G1475-G1551 CarbonylContact C-O 3.56Å; G1475-G1551 WeakPolarHBondContact CA-O 3.48Å; G1475-G1551 CarbonylContact O-C 3.46Å; G1475-G1551 VanDerWaalsContact O-CA 3.28Å; G1475-G1551 WeakPolarHBondContact O-CA 3.32Å; G1475-T1552 PolarHBondContact O-N 3Å
1476	T	67.7	Low	62.1	Low	44 Å²	44	41.7 Å²	41.7	27%	0.27	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	128.4	169.2	-62.3	0	0	0	0	109.2	A1364 T1365 G1399 T1400 V1401 L1424 Q1439 H1478 A1516 G1551 T1552 V1553	A1364-T1476 CarbonylContact C-O 3.59Å; A1364-T1476 WeakPolarHBondContact CA-O 3.12Å; A1364-T1476 HydrophobicContact CB-CG2 4.03Å; A1364-T1476 WeakPolarHBondContact CB-O 3.36Å; T1365-T1476 PolarHBondContact N-O 2.89Å; G1399-T1476 PolarHBondContact O-N 3.08Å; T1400-T1476 WeakPolarHBondContact CA-O 3.43Å; T1400-T1476 WeakPolarHBondContact O-CA 3.27Å; V1401-T1476 PolarHBondContact N-O 3.22Å; L1424-T1476 HydrophobicContact CD1-CG2 4.09Å; Q1439-T1476 PolarHBondContact O-OG1 3.16Å; T1476-H1478 WeakPolarHBondContact CG2-NE2 3.42Å; T1476-A1516 HydrophobicContact CG2-CB 3.95Å; T1476-A1516 VanDerWaalsContact OG1-C 3.24Å; T1476-A1516 WeakPolarHBondContact OG1-CA 3.48Å; T1476-A1516 WeakPolarHBondContact OG1-CB 3.24Å; T1476-A1516 PolarHBondContact OG1-N 2.8Å; T1476-A1516 PolarHBondContact OG1-O 2.91Å; T1476-G1551 PolarHBondContact N-O 3.24Å; T1476-T1552 CarbonylContact C-O 3.59Å; T1476-T1552 WeakPolarHBondContact CA-O 3.33Å; T1476-T1552 WeakPolarHBondContact O-CA 3.31Å; T1476-V1553 PolarHBondContact O-N 2.83Å
1477	V	66.4	Low	61	Low	23 Å²	23	42.9 Å²	42.9	14%	0.139	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	127.8	-178.6	-175.9	0	0	0	0	109	T1400 V1401 H1402 S1406 Q1408 I1410 V1422 G1423 L1424 C1479 M1518 T1552 V1553 H1554	T1400-V1477 PolarHBondContact O-N 3.05Å; V1401-V1477 CarbonylContact C-O 3.59Å; V1401-V1477 VanDerWaalsContact CA-O 3.28Å; V1401-V1477 WeakPolarHBondContact CA-O 2.93Å; H1402-V1477 PolarHBondContact N-O 2.84Å; S1406-V1477 VanDerWaalsContact OG-CG1 3.23Å; S1406-V1477 WeakPolarHBondContact OG-CG1 3.28Å; Q1408-V1477 HydrophobicContact CG-CG1 3.56Å; I1410-V1477 HydrophobicContact CG1-CG1 4.34Å; I1410-V1477 HydrophobicContact CG1-CG2 4.17Å; I1410-V1477 HydrophobicContact CG2-CG2 3.69Å; V1422-V1477 HydrophobicContact CB-CG1 3.87Å; V1422-V1477 HydrophobicContact CG1-CG1 4.06Å; G1423-V1477 CarbonylContact C-O 3.5Å; L1424-V1477 WeakPolarHBondContact CB-O 2.91Å; L1424-V1477 PolarHBondContact N-O 2.86Å; V1477-C1479 VanDerWaalsContact CG1-SG 3.6Å; V1477-M1518 HydrophobicContact CG2-CB 3.9Å; V1477-M1518 HydrophobicContact CG2-CG 4.38Å; V1477-M1518 HydrophobicContact CG2-SD 3.7Å; V1477-T1552 PolarHBondContact N-O 3.26Å; V1477-V1553 CarbonylContact C-O 3.56Å; V1477-V1553 WeakPolarHBondContact CA-O 3.49Å; V1477-V1553 HydrophobicContact CB-CG1 4.47Å; V1477-V1553 HydrophobicContact CG2-CB 4.45Å; V1477-H1554 PolarHBondContact O-N 3.01Å
1478	H	65.5	Low	59.5	Low	55.4 Å²	55.4	45.8 Å²	45.8	26%	0.256	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	118.1	-179.1	-147.1	-63.3	0	0	0	111.7	V1270 G1271 V1272 Q1363 A1364 V1401 H1402 C1403 Q1408 L1424 L1438 T1476 V1553 H1554 C1555	V1270-H1478 HydrophobicContact CG1-CB 4.46Å; G1271-H1478 PolarHBondContact N-O 2.73Å; G1271-H1478 VanDerWaalsContact O-O 3.11Å; V1272-H1478 HydrophobicContact CG2-CB 3.94Å; V1272-H1478 VanDerWaalsContact CG2-CG 3.45Å; Q1363-H1478 PolarHBondContact N-NE2 3.29Å; A1364-H1478 HydrophobicContact CB-CB 3.66Å; A1364-H1478 VanDerWaalsContact CB-CD2 3.47Å; A1364-H1478 WeakPolarHBondContact CB-CD2 3.31Å; V1401-H1478 PolarHBondContact O-N 3.24Å; H1402-H1478 WeakPolarHBondContact CA-O 3.26Å; H1402-H1478 HydrophobicContact CB-CB 4.01Å; H1402-H1478 AromaticContact CD2-CG 3.77Å; H1402-H1478 AromaticContact CD2-ND1 3.21Å; H1402-H1478 PolarHBondContact CD2-ND1 3.4Å; H1402-H1478 AromaticContact CD2-NE2 3.83Å; H1402-H1478 AromaticContact CE1-CD2 3.36Å; H1402-H1478 PolarHBondContact CE1-CD2 3.42Å; H1402-H1478 AromaticContact CE1-CE1 3.61Å; H1402-H1478 AromaticContact CE1-CG 3.88Å; H1402-H1478 AromaticContact CE1-NE2 3.53Å; H1402-H1478 AromaticContact CG-CD2 3.84Å; H1402-H1478 AromaticContact CG-CG 3.89Å; H1402-H1478 AromaticContact CG-NE2 3.89Å; H1402-H1478 AromaticContact ND1-CD2 3.48Å; H1402-H1478 PolarHBondContact ND1-CD2 2.87Å; H1402-H1478 AromaticContact ND1-CE1 3.12Å; H1402-H1478 PolarHBondContact ND1-CE1 2.93Å; H1402-H1478 AromaticContact ND1-CG 3.63Å; H1402-H1478 AromaticContact ND1-ND1 3.27Å; H1402-H1478 PolarHBondContact ND1-ND1 2.99Å; H1402-H1478 AromaticContact ND1-NE2 3.21Å; H1402-H1478 PolarHBondContact ND1-NE2 2.8Å; H1402-H1478 VanDerWaalsContact ND1-NE2 3.13Å; H1402-H1478 AromaticContact NE2-CE1 3.78Å; H1402-H1478 AromaticContact NE2-ND1 3.15Å; H1402-H1478 PolarHBondContact NE2-ND1 3.39Å; H1402-H1478 VanDerWaalsContact NE2-ND1 3.15Å; H1402-H1478 CarbonylContact O-C 3.57Å; H1402-H1478 WeakPolarHBondContact O-CA 3.24Å; H1402-H1478 PolarHBondContact O-ND1 3.18Å; C1403-H1478 PolarHBondContact N-O 2.98Å; C1403-H1478 VanDerWaalsContact N-O 3.15Å; Q1408-H1478 PolarHBondContact NE2-O 2.8Å; Q1408-H1478 PolarHBondContact OE1-O 3.2Å; L1424-H1478 CarbonylContact O-C 3.4Å; L1424-H1478 WeakPolarHBondContact O-CA 3.28Å; L1424-H1478 PolarHBondContact O-ND1 3.21Å; L1438-H1478 WeakPolarHBondContact CD2-CE1 3.02Å; L1438-H1478 VanDerWaalsContact CD2-NE2 3.27Å; L1438-H1478 WeakPolarHBondContact CD2-NE2 3.06Å; T1476-H1478 WeakPolarHBondContact CG2-NE2 3.42Å; H1478-V1553 PolarHBondContact N-O 2.93Å; H1478-H1554 WeakPolarHBondContact CA-O 3.24Å; H1478-H1554 HydrophobicContact CB-CB 3.99Å; H1478-H1554 WeakPolarHBondContact CB-CD2 3.46Å; H1478-H1554 AromaticContact CD2-CD2 3.56Å; H1478-H1554 AromaticContact CD2-CG 3.75Å; H1478-H1554 AromaticContact CD2-ND1 3.25Å; H1478-H1554 PolarHBondContact CD2-ND1 3.09Å; H1478-H1554 AromaticContact CD2-NE2 3.69Å; H1478-H1554 AromaticContact CE1-CD2 3.48Å; H1478-H1554 PolarHBondContact CE1-CD2 2.89Å; H1478-H1554 AromaticContact CE1-CG 3.83Å; H1478-H1554 AromaticContact CE1-NE2 3.55Å; H1478-H1554 PolarHBondContact CE1-NE2 2.84Å; H1478-H1554 AromaticContact CG-CD2 3.48Å; H1478-H1554 AromaticContact CG-CG 3.85Å; H1478-H1554 AromaticContact CG-NE2 3.58Å; H1478-H1554 WeakPolarHBondContact ND1-CB 3.4Å; H1478-H1554 AromaticContact ND1-CD2 3.38Å; H1478-H1554 PolarHBondContact ND1-CD2 2.88Å; H1478-H1554 AromaticContact ND1-CG 3.8Å; H1478-H1554 AromaticContact ND1-NE2 3.25Å; H1478-H1554 PolarHBondContact ND1-NE2 2.9Å; H1478-H1554 VanDerWaalsContact ND1-NE2 3.18Å; H1478-H1554 AromaticContact NE2-CD2 3.89Å; H1478-H1554 AromaticContact NE2-CE1 3.8Å; H1478-H1554 AromaticContact NE2-ND1 3.21Å; H1478-H1554 PolarHBondContact NE2-ND1 3.15Å; H1478-H1554 AromaticContact NE2-NE2 3.52Å; H1478-H1554 WeakPolarHBondContact O-CA 3.47Å; H1478-H1554 PolarHBondContact O-CD2 2.67Å; H1478-C1555 PolarHBondContact O-N 3.07Å; H1478-C1555 VanDerWaalsContact O-N 3.11Å
1479	C	61.4	Low	57.6	Low	19.2 Å²	19.2	48.1 Å²	48.1	13%	0.13	27%	0.271	C	S	.	.			trans	-145.1	168.3	-172.4	25.2	0	0	0	0	113.3	G1271 V1272 Q1329 V1346 H1402 C1403 A1404 G1423 L1424 D1425 V1477 Q1481 S1482 H1554 C1555	G1271-C1479 WeakPolarHBondContact O-CA 3.38Å; V1272-C1479 VanDerWaalsContact CG1-O 3.31Å; V1272-C1479 WeakPolarHBondContact CG1-O 2.97Å; Q1329-C1479 HydrophobicContact CG-CB 4.21Å; Q1329-C1479 WeakPolarHBondContact CG-O 3.44Å; V1346-C1479 HydrophobicContact CG1-CB 3.7Å; H1402-C1479 PolarHBondContact O-N 3.11Å; C1403-C1479 CarbonylContact C-O 3.56Å; C1403-C1479 WeakPolarHBondContact O-CA 3.4Å; C1403-C1479 WeakPolarHBondContact O-CB 2.96Å; C1403-C1479 VanDerWaalsContact SG-CB 3.59Å; A1404-C1479 PolarHBondContact N-O 3.45Å; G1423-C1479 WeakPolarHBondContact CA-SG 3.34Å; L1424-C1479 CarbonylContact C-O 2.99Å; L1424-C1479 PolarHBondContact N-SG 3.19Å; L1424-C1479 PolarHBondContact O-N 3.28Å; D1425-C1479 WeakPolarHBondContact CA-O 3.28Å; V1477-C1479 VanDerWaalsContact CG1-SG 3.6Å; C1479-Q1481 WeakPolarHBondContact CB-O 3.49Å; C1479-Q1481 PolarHBondContact SG-O 3.26Å; C1479-Q1481 VanDerWaalsContact SG-O 3.35Å; C1479-S1482 VanDerWaalsContact SG-CB 3.54Å; C1479-H1554 PolarHBondContact N-O 2.83Å; C1479-H1554 VanDerWaalsContact N-O 3.07Å; C1479-C1555 WeakPolarHBondContact CA-O 3.11Å; C1479-C1555 WeakPolarHBondContact O-CA 3.41Å; C1479-C1555 WeakPolarHBondContact SG-CB 3.36Å
1480	A	55.5	Low	55.5	Low	34.6 Å²	34.6	51.2 Å²	51.2	29%	0.286	28%	0.278	S	S	.	.	S	Bend	trans	-110.7	-55.1	170.3	0	0	0	0	0	112.8	L1348 A1404 T1427 S1482 C1555 A1556 Q1557	L1348-A1480 HydrophobicContact CB-CB 3.88Å; L1348-A1480 HydrophobicContact CD1-CB 3.74Å; L1348-A1480 HydrophobicContact CG-CB 3.71Å; A1404-A1480 CarbonylContact O-C 2.94Å; A1404-A1480 WeakPolarHBondContact O-CA 3.4Å; A1404-A1480 WeakPolarHBondContact O-CB 3.38Å; A1404-A1480 PolarHBondContact O-N 3.09Å; T1427-A1480 WeakPolarHBondContact OG1-CB 3.11Å; A1480-S1482 PolarHBondContact O-N 3.02Å; A1480-C1555 PolarHBondContact N-O 3.43Å; A1480-A1556 VanDerWaalsContact C-CB 3.42Å; A1480-A1556 HydrophobicContact CB-CB 4.28Å; A1480-A1556 VanDerWaalsContact O-CB 3.29Å; A1480-A1556 WeakPolarHBondContact O-CB 3.22Å; A1480-A1556 PolarHBondContact O-N 3.17Å; A1480-Q1557 PolarHBondContact O-N 2.99Å
1481	Q	52.7	Low	53.6	Low	94.8 Å²	94.8	52.5 Å²	52.5	44%	0.443	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	122.9	167.3	-72.1	169.5	-34.2	0	0	113.9	A1404 Q1405 S1406 C1479 A1556 Q1557 S1558	A1404-Q1481 PolarHBondContact O-N 3.26Å; A1404-Q1481 VanDerWaalsContact O-N 3.13Å; A1404-Q1481 PolarHBondContact O-NE2 2.9Å; Q1405-Q1481 WeakPolarHBondContact CA-O 3.24Å; Q1405-Q1481 HydrophobicContact CB-CG 4.07Å; Q1405-Q1481 HydrophobicContact CG-CB 4.45Å; Q1405-Q1481 VanDerWaalsContact NE2-OE1 3.12Å; Q1405-Q1481 VanDerWaalsContact O-CA 3.3Å; Q1405-Q1481 WeakPolarHBondContact O-CA 3.32Å; S1406-Q1481 PolarHBondContact N-O 2.94Å; S1406-Q1481 VanDerWaalsContact N-O 3.09Å; S1406-Q1481 PolarHBondContact OG-O 3.14Å; C1479-Q1481 WeakPolarHBondContact CB-O 3.49Å; C1479-Q1481 PolarHBondContact SG-O 3.26Å; C1479-Q1481 VanDerWaalsContact SG-O 3.35Å; Q1481-A1556 HydrophobicContact CG-CB 4.1Å; Q1481-Q1557 CarbonylContact C-O 3.41Å; Q1481-Q1557 WeakPolarHBondContact CA-O 3.26Å; Q1481-Q1557 HydrophobicContact CB-CB 3.82Å; Q1481-Q1557 HydrophobicContact CG-CB 4.12Å; Q1481-Q1557 VanDerWaalsContact NE2-OE1 3.09Å; Q1481-Q1557 VanDerWaalsContact O-CA 3.23Å; Q1481-Q1557 WeakPolarHBondContact O-CA 3.04Å; Q1481-Q1557 PolarHBondContact O-N 3.14Å; Q1481-Q1557 VanDerWaalsContact OE1-NE2 3.12Å; Q1481-S1558 PolarHBondContact O-N 3.31Å; Q1481-S1558 VanDerWaalsContact O-N 3.08Å; Q1481-S1558 PolarHBondContact O-OG 2.68Å
1482	S	50.3	Low	51.5	Low	20.4 Å²	20.4	55.6 Å²	55.6	14%	0.143	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	156.5	178.5	36.9	0	0	0	0	112.8	V1346 G1347 Q1405 S1406 V1407 N1421 C1479 A1480 V1553 C1555 Q1557 S1558 V1559	V1346-S1482 WeakPolarHBondContact CA-OG 2.98Å; V1346-S1482 WeakPolarHBondContact CG1-OG 3.47Å; G1347-S1482 PolarHBondContact N-OG 2.88Å; Q1405-S1482 PolarHBondContact O-N 2.97Å; S1406-S1482 CarbonylContact C-O 3.42Å; S1406-S1482 VanDerWaalsContact CA-O 3.3Å; S1406-S1482 WeakPolarHBondContact CA-O 3.43Å; S1406-S1482 CarbonylContact O-C 3.6Å; S1406-S1482 PolarHBondContact O-OG 3.11Å; S1406-S1482 WeakPolarHBondContact OG-CB 3.35Å; S1406-S1482 PolarHBondContact OG-O 3.19Å; V1407-S1482 PolarHBondContact N-O 2.87Å; N1421-S1482 WeakPolarHBondContact OD1-CB 3.46Å; C1479-S1482 VanDerWaalsContact SG-CB 3.54Å; A1480-S1482 PolarHBondContact O-N 3.02Å; S1482-V1553 WeakPolarHBondContact OG-CG1 3.34Å; S1482-C1555 VanDerWaalsContact O-CB 3.32Å; S1482-C1555 WeakPolarHBondContact O-CB 3.32Å; S1482-Q1557 CarbonylContact C-O 3.17Å; S1482-Q1557 WeakPolarHBondContact CA-O 3.35Å; S1482-Q1557 PolarHBondContact N-O 2.9Å; S1482-Q1557 PolarHBondContact OG-O 3.18Å; S1482-S1558 VanDerWaalsContact CA-O 3.23Å; S1482-S1558 WeakPolarHBondContact CA-O 2.99Å; S1482-S1558 VanDerWaalsContact CB-O 3.27Å; S1482-S1558 WeakPolarHBondContact CB-O 3.3Å; S1482-S1558 WeakPolarHBondContact CB-OG 3.37Å; S1482-S1558 WeakPolarHBondContact OG-CB 3.35Å; S1482-V1559 PolarHBondContact O-N 3.03Å
1483	V	51.3	Low	49.5	Very low	57.4 Å²	57.4	58 Å²	58	35%	0.348	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	147.7	177.8	-178.3	0	0	0	0	110.2	S1406 V1407 Q1408 N1421 V1422 G1423 T1485 V1498 S1558 V1559	S1406-V1483 PolarHBondContact O-N 3.08Å; V1407-V1483 WeakPolarHBondContact CA-O 3.44Å; Q1408-V1483 PolarHBondContact N-O 3.23Å; Q1408-V1483 VanDerWaalsContact N-O 3.16Å; N1421-V1483 HydrophobicContact CB-CB 4.04Å; N1421-V1483 HydrophobicContact CB-CG2 4.41Å; N1421-V1483 CarbonylContact O-C 3.47Å; N1421-V1483 VanDerWaalsContact O-C 3.31Å; N1421-V1483 WeakPolarHBondContact O-CB 3.4Å; N1421-V1483 WeakPolarHBondContact OD1-CB 3.36Å; N1421-V1483 PolarHBondContact OD1-N 3.32Å; V1422-V1483 CarbonylContact C-O 3.28Å; V1422-V1483 WeakPolarHBondContact CA-O 2.97Å; G1423-V1483 PolarHBondContact N-O 3.03Å; V1483-T1485 HydrophobicContact CG1-CG2 4.15Å; V1483-T1485 WeakPolarHBondContact CG1-OG1 3.35Å; V1483-V1498 WeakPolarHBondContact CG1-O 3.42Å; V1483-S1558 VanDerWaalsContact CA-OG 3.26Å; V1483-S1558 WeakPolarHBondContact CA-OG 3.39Å; V1483-S1558 PolarHBondContact N-O 2.9Å; V1483-V1559 HydrophobicContact CG1-CB 4.08Å; V1483-V1559 HydrophobicContact CG2-CB 4.29Å; V1483-V1559 HydrophobicContact CG2-CG2 4.07Å
1484	Q	46.3	Very low	47.6	Very low	49.4 Å²	49.4	61.6 Å²	61.6	23%	0.231	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	123.7	175.8	-168.4	-177.3	32.2	0	0	111.6	V1407 Q1408 T1409 N1421 V1422 I1486 V1498 M1518 V1553 V1559 T1561	V1407-Q1484 HydrophobicContact CG1-CB 4.33Å; Q1408-Q1484 VanDerWaalsContact O-O 3.09Å; T1409-Q1484 PolarHBondContact OG1-O 3.08Å; N1421-Q1484 PolarHBondContact O-N 2.86Å; V1422-Q1484 HydrophobicContact CG1-CB 4.45Å; V1422-Q1484 HydrophobicContact CG1-CG 3.99Å; Q1484-I1486 PolarHBondContact O-N 2.73Å; Q1484-I1486 VanDerWaalsContact O-N 3.11Å; Q1484-V1498 CarbonylContact C-O 3.59Å; Q1484-V1498 WeakPolarHBondContact CA-O 3.28Å; Q1484-V1498 HydrophobicContact CB-CG1 4.39Å; Q1484-V1498 WeakPolarHBondContact CB-O 3.31Å; Q1484-V1498 PolarHBondContact N-O 3.46Å; Q1484-V1498 CarbonylContact O-C 3.43Å; Q1484-V1498 VanDerWaalsContact O-CB 3.26Å; Q1484-V1498 WeakPolarHBondContact O-CB 3.46Å; Q1484-V1498 VanDerWaalsContact O-CG1 3.3Å; Q1484-V1498 WeakPolarHBondContact O-CG1 3.37Å; Q1484-M1518 HydrophobicContact CG-CE 3.76Å; Q1484-M1518 HydrophobicContact CG-SD 3.78Å; Q1484-M1518 PolarHBondContact NE2-SD 3.36Å; Q1484-M1518 WeakPolarHBondContact O-CE 3.19Å; Q1484-V1553 HydrophobicContact CB-CG2 3.62Å; Q1484-V1553 HydrophobicContact CG-CB 4.11Å; Q1484-V1553 HydrophobicContact CG-CG1 3.59Å; Q1484-V1553 HydrophobicContact CG-CG2 3.45Å; Q1484-V1553 VanDerWaalsContact CG-CG2 3.45Å; Q1484-V1559 PolarHBondContact N-O 3.17Å; Q1484-T1561 PolarHBondContact O-N 3.29Å
1485	T	40.8	Very low	45.8	Very low	49.8 Å²	49.8	63.5 Å²	63.5	31%	0.306	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	135.7	-178	-39.9	0	0	0	0	111.5	Q1408 T1409 I1410 V1420 N1421 V1483 V1496 V1498 M1518	Q1408-T1485 PolarHBondContact O-N 3.08Å; Q1408-T1485 VanDerWaalsContact O-N 3.15Å; T1409-T1485 HydrophobicContact CG2-CG2 4.36Å; I1410-T1485 WeakPolarHBondContact CD1-O 3.04Å; V1420-T1485 WeakPolarHBondContact CG1-OG1 3.26Å; N1421-T1485 HydrophobicContact CB-CG2 3.97Å; N1421-T1485 PolarHBondContact N-OG1 3.19Å; N1421-T1485 WeakPolarHBondContact O-CG2 3.46Å; N1421-T1485 PolarHBondContact O-N 2.9Å; N1421-T1485 PolarHBondContact O-OG1 3.32Å; N1421-T1485 VanDerWaalsContact O-OG1 3.08Å; V1483-T1485 HydrophobicContact CG1-CG2 4.15Å; V1483-T1485 WeakPolarHBondContact CG1-OG1 3.35Å; T1485-V1496 WeakPolarHBondContact CG2-O 3.38Å; T1485-V1498 PolarHBondContact N-O 3Å; T1485-M1518 WeakPolarHBondContact O-CE 3.12Å
1486	I	41.2	Very low	44	Very low	60.4 Å²	60.4	66.4 Å²	66.4	31%	0.31	35%	0.354	S	S	.	.			trans	-113.1	133.6	175	-57.2	178.1	0	0	0	108.9	P1411 Q1484 E1488 M1518 I1562 P1563 M1594 Q1596	P1411-I1486 WeakPolarHBondContact CD-O 3.31Å; P1411-I1486 WeakPolarHBondContact CG-O 3.07Å; Q1484-I1486 PolarHBondContact O-N 2.73Å; Q1484-I1486 VanDerWaalsContact O-N 3.11Å; I1486-E1488 WeakPolarHBondContact O-CB 3.39Å; I1486-E1488 PolarHBondContact O-N 3.02Å; I1486-M1518 HydrophobicContact CB-CE 4.34Å; I1486-M1518 HydrophobicContact CD1-CE 4.49Å; I1486-M1518 HydrophobicContact CG1-CE 3.43Å; I1486-M1518 VanDerWaalsContact CG1-CE 3.43Å; I1486-I1562 HydrophobicContact CD1-CD1 4.31Å; I1486-I1562 HydrophobicContact CD1-CG1 4.16Å; I1486-P1563 HydrophobicContact CB-CG 4.37Å; I1486-P1563 HydrophobicContact CD1-CG 3.86Å; I1486-P1563 WeakPolarHBondContact O-CD 3.49Å; I1486-P1563 VanDerWaalsContact O-CG 3.25Å; I1486-P1563 WeakPolarHBondContact O-CG 3.16Å; I1486-M1594 HydrophobicContact CD1-CB 3.34Å; I1486-M1594 HydrophobicContact CD1-CE 3.98Å; I1486-M1594 HydrophobicContact CD1-CG 4.1Å; I1486-M1594 HydrophobicContact CD1-SD 3.75Å; I1486-Q1596 HydrophobicContact CG2-CB 3.62Å; I1486-Q1596 HydrophobicContact CG2-CG 4.49Å
1487	P	39.8	Very low	42.1	Very low	51.8 Å²	51.8	68 Å²	68	34%	0.336	37%	0.367	S	S	.	.			trans	-84.8	152.2	176.9	23.1	-21.6	0	0	0	114.9	I1410 P1411 F1417 V1420 Q1520 I1562 P1563	I1410-P1487 HydrophobicContact CB-CG 4.32Å; I1410-P1487 HydrophobicContact CD1-CG 4.17Å; I1410-P1487 HydrophobicContact CG2-CG 4.05Å; I1410-P1487 WeakPolarHBondContact O-CB 3.05Å; I1410-P1487 WeakPolarHBondContact O-CD 3.36Å; I1410-P1487 WeakPolarHBondContact O-CG 3.49Å; P1411-P1487 VanDerWaalsContact C-CB 3.4Å; P1411-P1487 HydrophobicContact CG-CG 4.11Å; P1411-P1487 WeakPolarHBondContact O-CB 3.31Å; P1411-P1487 WeakPolarHBondContact O-CG 3.34Å; F1417-P1487 HydrophobicContact CE1-CB 4.36Å; V1420-P1487 HydrophobicContact CG2-CG 4.11Å; P1487-Q1520 PolarHBondContact O-NE2 2.79Å; P1487-I1562 WeakPolarHBondContact CD-O 3.44Å; P1487-I1562 WeakPolarHBondContact CG-O 3.39Å; P1487-P1563 WeakPolarHBondContact O-CG 3.28Å
1488	E	35.9	Very low	40.5	Very low	85.6 Å²	85.6	70.9 Å²	70.9	40%	0.4	38%	0.384	S	S	.	.			trans	-76.5	149	172	-164.8	-176.2	-175.7	0	0	114.3	E1412 R1414 F1417 I1486 R1490 T1495 V1496 P1563 E1564 R1566	E1412-E1488 VanDerWaalsContact CG-O 3.27Å; E1412-E1488 WeakPolarHBondContact CG-O 3.24Å; R1414-E1488 IonicContact CZ-OE1 2.94Å; R1414-E1488 VanDerWaalsContact CZ-OE1 3.22Å; R1414-E1488 IonicContact NE-OE1 3.67Å; R1414-E1488 PolarHBondContact NE-OE1 3.16Å; R1414-E1488 IonicContact NH2-OE1 3.75Å; R1414-E1488 PolarHBondContact NH2-OE1 2.99Å; R1414-E1488 IonicContact NH2-OE2 2.67Å; F1417-E1488 WeakPolarHBondContact CE1-O 3.15Å; F1417-E1488 WeakPolarHBondContact CZ-O 3.31Å; I1486-E1488 WeakPolarHBondContact O-CB 3.39Å; I1486-E1488 PolarHBondContact O-N 3.02Å; E1488-R1490 VanDerWaalsContact CD-NE 3.34Å; E1488-R1490 HydrophobicContact CG-CG 4.14Å; E1488-R1490 PolarHBondContact O-N 2.86Å; E1488-R1490 IonicContact OE1-CZ 3.17Å; E1488-R1490 IonicContact OE1-NE 3.32Å; E1488-R1490 PolarHBondContact OE1-NE 2.74Å; E1488-R1490 IonicContact OE1-NH2 3.38Å; E1488-R1490 PolarHBondContact OE1-NH2 2.91Å; E1488-R1490 IonicContact OE2-CZ 3.31Å; E1488-R1490 IonicContact OE2-NE 2.88Å; E1488-R1490 PolarHBondContact OE2-NE 2.96Å; E1488-R1490 VanDerWaalsContact OE2-NE 3.16Å; E1488-R1490 IonicContact OE2-NH2 3.12Å; E1488-R1490 PolarHBondContact OE2-NH2 3.1Å; E1488-T1495 PolarHBondContact OE1-N 3.16Å; E1488-T1495 PolarHBondContact OE2-N 2.96Å; E1488-V1496 HydrophobicContact CB-CB 4.12Å; E1488-V1496 HydrophobicContact CB-CG2 4.03Å; E1488-V1496 HydrophobicContact CG-CB 4.03Å; E1488-V1496 HydrophobicContact CG-CG2 3.58Å; E1488-V1496 PolarHBondContact OE2-N 2.97Å; E1488-P1563 HydrophobicContact CB-CB 4.33Å; E1488-P1563 HydrophobicContact CB-CG 4.08Å; E1488-P1563 HydrophobicContact CG-CB 4.35Å; E1488-E1564 VanDerWaalsContact CG-O 3.26Å; E1488-E1564 WeakPolarHBondContact CG-O 3.5Å; E1488-R1566 IonicContact OE1-CZ 3.81Å; E1488-R1566 IonicContact OE1-NE 2.69Å; E1488-R1566 IonicContact OE1-NH1 3.35Å; E1488-R1566 PolarHBondContact OE1-NH1 2.93Å
1489	E	31.8	Very low	38.8	Very low	90.6 Å²	90.6	70.3 Å²	70.3	42%	0.423	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-91.9	138.1	-179.8	-157.4	-178.8	-179.3	0	0	112.6	P1491 R1566 Q1596 I1698 Y1700	E1489-P1491 WeakPolarHBondContact OE1-CG 3.41Å; E1489-R1566 WeakPolarHBondContact O-CB 3.26Å; E1489-Q1596 PolarHBondContact OE2-NE2 2.69Å; E1489-I1698 WeakPolarHBondContact OE1-CD1 3.27Å; E1489-I1698 WeakPolarHBondContact OE2-CD1 3.24Å; E1489-Y1700 WeakPolarHBondContact OE2-CE2 3.49Å; E1489-Y1700 VanDerWaalsContact OE2-CZ 3.31Å; E1489-Y1700 PolarHBondContact OE2-OH 3.16Å
1490	R	32.1	Very low	37.7	Very low	124.2 Å²	124.2	74 Å²	74	47%	0.469	41%	0.411	S	S	.	.			trans	-141.1	116.4	176.9	-61.2	-177.6	177.2	172.6	5.4	113.6	E1412 E1413 P1415 F1417 H1418 T1419 E1488 V1492 F1493	E1412-R1490 WeakPolarHBondContact OE1-CB 3.39Å; E1412-R1490 IonicContact OE1-NH1 2.77Å; E1413-R1490 PolarHBondContact O-N 3.16Å; P1415-R1490 WeakPolarHBondContact CG-O 3.19Å; F1417-R1490 HydrophobicContact CD1-CG 4.11Å; F1417-R1490 HydrophobicContact CD2-CB 3.82Å; F1417-R1490 HydrophobicContact CD2-CG 4.17Å; F1417-R1490 HydrophobicContact CE1-CB 4.31Å; F1417-R1490 HydrophobicContact CE1-CG 3.78Å; F1417-R1490 HydrophobicContact CE2-CB 3.42Å; F1417-R1490 VanDerWaalsContact CE2-CB 3.42Å; F1417-R1490 HydrophobicContact CE2-CG 3.84Å; F1417-R1490 HydrophobicContact CG-CB 4.44Å; F1417-R1490 HydrophobicContact CG-CG 4.3Å; F1417-R1490 HydrophobicContact CZ-CB 3.71Å; F1417-R1490 HydrophobicContact CZ-CG 3.65Å; H1418-R1490 PolarHBondContact O-NH1 2.85Å; T1419-R1490 PolarHBondContact O-NH2 3.35Å; E1488-R1490 VanDerWaalsContact CD-NE 3.34Å; E1488-R1490 HydrophobicContact CG-CG 4.14Å; E1488-R1490 PolarHBondContact O-N 2.86Å; E1488-R1490 IonicContact OE1-CZ 3.17Å; E1488-R1490 IonicContact OE1-NE 3.32Å; E1488-R1490 PolarHBondContact OE1-NE 2.74Å; E1488-R1490 IonicContact OE1-NH2 3.38Å; E1488-R1490 PolarHBondContact OE1-NH2 2.91Å; E1488-R1490 IonicContact OE2-CZ 3.31Å; E1488-R1490 IonicContact OE2-NE 2.88Å; E1488-R1490 PolarHBondContact OE2-NE 2.96Å; E1488-R1490 VanDerWaalsContact OE2-NE 3.16Å; E1488-R1490 IonicContact OE2-NH2 3.12Å; E1488-R1490 PolarHBondContact OE2-NH2 3.1Å; R1490-V1492 HydrophobicContact CB-CG2 4.46Å; R1490-F1493 HydrophobicContact CB-CB 3.99Å; R1490-F1493 HydrophobicContact CB-CD1 3.81Å; R1490-F1493 HydrophobicContact CB-CG 4.11Å; R1490-F1493 VanDerWaalsContact CD-C 3.49Å; R1490-F1493 WeakPolarHBondContact CD-O 3.35Å; R1490-F1493 HydrophobicContact CG-CB 4.05Å; R1490-F1493 HydrophobicContact CG-CD1 4.45Å; R1490-F1493 VanDerWaalsContact CZ-O 3.29Å; R1490-F1493 PolarHBondContact NE-O 3.23Å; R1490-F1493 PolarHBondContact NH1-O 2.77Å
1491	P	33	Very low	36.6	Very low	71 Å²	71	77 Å²	77	46%	0.461	42%	0.422	S	S	.	.			trans	-94	138.4	160.8	24.5	-21.5	0	0	0	113.3	P1415 E1489 F1493 P1567 V1568	P1415-P1491 HydrophobicContact CB-CB 4.01Å; P1415-P1491 HydrophobicContact CG-CB 4.07Å; P1415-P1491 WeakPolarHBondContact O-CA 3.5Å; P1415-P1491 WeakPolarHBondContact O-CB 3.47Å; E1489-P1491 WeakPolarHBondContact OE1-CG 3.41Å; P1491-F1493 HydrophobicContact CB-CE2 4.17Å; P1491-F1493 HydrophobicContact CB-CZ 4.17Å; P1491-F1493 HydrophobicContact CG-CZ 4.5Å; P1491-F1493 WeakPolarHBondContact O-CD2 3.1Å; P1491-F1493 WeakPolarHBondContact O-CE2 3.25Å; P1491-F1493 WeakPolarHBondContact O-CG 3.47Å; P1491-F1493 PolarHBondContact O-N 3.21Å; P1491-P1567 HydrophobicContact CG-CB 4.24Å; P1491-V1568 PolarHBondContact O-N 2.97Å; P1491-V1568 VanDerWaalsContact O-N 3.13Å
1492	V	30.8	Very low	35.8	Very low	85.6 Å²	85.6	77.5 Å²	77.5	52%	0.519	43%	0.425	S	S	.	.			trans	-137.6	113.7	-178.5	-171.9	0	0	0	0	113	V1416 F1417 T1451 Q1452 R1490 H1494 V1568	V1416-V1492 HydrophobicContact CB-CG2 4.33Å; V1416-V1492 VanDerWaalsContact O-CA 3.3Å; V1416-V1492 WeakPolarHBondContact O-CA 3.47Å; V1416-V1492 PolarHBondContact O-N 2.86Å; F1417-V1492 VanDerWaalsContact CB-O 3.32Å; F1417-V1492 WeakPolarHBondContact CB-O 3.29Å; F1417-V1492 WeakPolarHBondContact CD2-O 3.34Å; T1451-V1492 HydrophobicContact CG2-CB 3.86Å; T1451-V1492 HydrophobicContact CG2-CG1 4.32Å; T1451-V1492 HydrophobicContact CG2-CG2 4.14Å; T1451-V1492 WeakPolarHBondContact OG1-CB 3.33Å; T1451-V1492 WeakPolarHBondContact OG1-CG1 3.26Å; T1451-V1492 WeakPolarHBondContact OG1-CG2 3.48Å; Q1452-V1492 VanDerWaalsContact CA-C 3.5Å; Q1452-V1492 WeakPolarHBondContact CA-O 3.27Å; Q1452-V1492 HydrophobicContact CB-CG1 4.04Å; Q1452-V1492 HydrophobicContact CG-CG1 3.28Å; Q1452-V1492 PolarHBondContact N-O 3.17Å; Q1452-V1492 VanDerWaalsContact NE2-CG1 3.32Å; R1490-V1492 HydrophobicContact CB-CG2 4.46Å; V1492-H1494 PolarHBondContact O-CE1 3.19Å; V1492-H1494 VanDerWaalsContact O-CE1 3.28Å; V1492-V1568 VanDerWaalsContact CA-O 3.23Å; V1492-V1568 WeakPolarHBondContact CA-O 3.33Å; V1492-V1568 HydrophobicContact CB-CB 4.24Å; V1492-V1568 HydrophobicContact CG1-CB 3.85Å; V1492-V1568 HydrophobicContact CG1-CG1 4.27Å; V1492-V1568 HydrophobicContact CG2-CB 3.86Å; V1492-V1568 HydrophobicContact CG2-CG2 3.83Å
1493	F	29	Very low	35.2	Very low	98.6 Å²	98.6	80.9 Å²	80.9	43%	0.432	44%	0.444	S	S	.	.			trans	-98.2	148.8	-174.4	-55.3	-98.7	0	0	0	114.5	F1417 H1418 Q1452 T1453 R1490 P1491 V1568 F1569 H1570 L1695	F1417-F1493 AromaticContact CD1-CD1 3.79Å; F1417-F1493 HydrophobicContact CD1-CD1 3.79Å; F1417-F1493 AromaticContact CD1-CE1 3.71Å; F1417-F1493 HydrophobicContact CD1-CE1 3.71Å; F1417-F1493 AromaticContact CD2-CD1 3.83Å; F1417-F1493 HydrophobicContact CD2-CD1 3.83Å; F1417-F1493 AromaticContact CD2-CE1 3.66Å; F1417-F1493 HydrophobicContact CD2-CE1 3.66Å; F1417-F1493 HydrophobicContact CD2-CE2 4.36Å; F1417-F1493 HydrophobicContact CD2-CG 4.26Å; F1417-F1493 AromaticContact CD2-CZ 3.93Å; F1417-F1493 HydrophobicContact CD2-CZ 3.93Å; F1417-F1493 AromaticContact CE1-CD1 3.97Å; F1417-F1493 HydrophobicContact CE1-CD1 3.97Å; F1417-F1493 AromaticContact CE1-CE1 3.38Å; F1417-F1493 HydrophobicContact CE1-CE1 3.38Å; F1417-F1493 HydrophobicContact CE1-CZ 4.18Å; F1417-F1493 AromaticContact CE2-CD1 3.99Å; F1417-F1493 HydrophobicContact CE2-CD1 3.99Å; F1417-F1493 AromaticContact CE2-CE1 3.32Å; F1417-F1493 HydrophobicContact CE2-CE1 3.32Å; F1417-F1493 HydrophobicContact CE2-CE2 4.05Å; F1417-F1493 AromaticContact CE2-CZ 3.33Å; F1417-F1493 HydrophobicContact CE2-CZ 3.33Å; F1417-F1493 AromaticContact CG-CD1 3.8Å; F1417-F1493 HydrophobicContact CG-CD1 3.8Å; F1417-F1493 AromaticContact CG-CE1 3.93Å; F1417-F1493 HydrophobicContact CG-CE1 3.93Å; F1417-F1493 HydrophobicContact CG-CG 4.45Å; F1417-F1493 HydrophobicContact CZ-CD1 4.1Å; F1417-F1493 AromaticContact CZ-CE1 3.21Å; F1417-F1493 HydrophobicContact CZ-CE1 3.21Å; F1417-F1493 AromaticContact CZ-CZ 3.52Å; F1417-F1493 HydrophobicContact CZ-CZ 3.52Å; H1418-F1493 AromaticContact CE1-CE2 3.77Å; H1418-F1493 AromaticContact CE1-CZ 3.81Å; H1418-F1493 AromaticContact ND1-CE2 3.98Å; H1418-F1493 AromaticContact ND1-CZ 3.53Å; Q1452-F1493 VanDerWaalsContact NE2-C 3.29Å; Q1452-F1493 PolarHBondContact NE2-O 3.22Å; T1453-F1493 CarbonylContact O-C 3.51Å; T1453-F1493 WeakPolarHBondContact O-CA 2.99Å; T1453-F1493 WeakPolarHBondContact O-CB 2.99Å; T1453-F1493 WeakPolarHBondContact O-CD1 3.24Å; T1453-F1493 WeakPolarHBondContact O-CG 3.07Å; R1490-F1493 HydrophobicContact CB-CB 3.99Å; R1490-F1493 HydrophobicContact CB-CD1 3.81Å; R1490-F1493 HydrophobicContact CB-CG 4.11Å; R1490-F1493 VanDerWaalsContact CD-C 3.49Å; R1490-F1493 WeakPolarHBondContact CD-O 3.35Å; R1490-F1493 HydrophobicContact CG-CB 4.05Å; R1490-F1493 HydrophobicContact CG-CD1 4.45Å; R1490-F1493 VanDerWaalsContact CZ-O 3.29Å; R1490-F1493 PolarHBondContact NE-O 3.23Å; R1490-F1493 PolarHBondContact NH1-O 2.77Å; P1491-F1493 HydrophobicContact CB-CE2 4.17Å; P1491-F1493 HydrophobicContact CB-CZ 4.17Å; P1491-F1493 HydrophobicContact CG-CZ 4.5Å; P1491-F1493 WeakPolarHBondContact O-CD2 3.1Å; P1491-F1493 WeakPolarHBondContact O-CE2 3.25Å; P1491-F1493 WeakPolarHBondContact O-CG 3.47Å; P1491-F1493 PolarHBondContact O-N 3.21Å; F1493-V1568 HydrophobicContact CD2-CB 4.4Å; F1493-V1568 HydrophobicContact CD2-CG1 3.86Å; F1493-V1568 HydrophobicContact CE2-CB 3.95Å; F1493-V1568 HydrophobicContact CE2-CG1 3.69Å; F1493-V1568 HydrophobicContact CE2-CG2 4.02Å; F1493-V1568 HydrophobicContact CZ-CB 4.34Å; F1493-V1568 HydrophobicContact CZ-CG2 4.21Å; F1493-V1568 PolarHBondContact N-O 3.12Å; F1493-F1569 HydrophobicContact CB-CD1 3.9Å; F1493-F1569 AromaticContact CD1-CD2 3.51Å; F1493-F1569 HydrophobicContact CD1-CD2 3.51Å; F1493-F1569 AromaticContact CD1-CE2 3.88Å; F1493-F1569 HydrophobicContact CD1-CE2 3.88Å; F1493-F1569 AromaticContact CD2-CD1 3.54Å; F1493-F1569 HydrophobicContact CD2-CD1 3.54Å; F1493-F1569 AromaticContact CD2-CE1 3.34Å; F1493-F1569 HydrophobicContact CD2-CE1 3.34Å; F1493-F1569 HydrophobicContact CD2-CZ 4.21Å; F1493-F1569 AromaticContact CE1-CD2 3.63Å; F1493-F1569 HydrophobicContact CE1-CD2 3.63Å; F1493-F1569 AromaticContact CE1-CE2 3.59Å; F1493-F1569 HydrophobicContact CE1-CE2 3.59Å; F1493-F1569 HydrophobicContact CE2-CD1 4.33Å; F1493-F1569 AromaticContact CE2-CE1 3.67Å; F1493-F1569 HydrophobicContact CE2-CE1 3.67Å; F1493-F1569 HydrophobicContact CE2-CZ 4.3Å; F1493-F1569 AromaticContact CG-CD1 3.91Å; F1493-F1569 HydrophobicContact CG-CD1 3.91Å; F1493-F1569 HydrophobicContact CG-CE1 4.04Å; F1493-F1569 CarbonylContact O-C 3.49Å; F1493-F1569 VanDerWaalsContact O-C 3.29Å; F1493-H1570 AromaticContact CD2-CE1 3.89Å; F1493-H1570 VanDerWaalsContact O-CA 3.26Å; F1493-H1570 WeakPolarHBondContact O-CA 3.4Å; F1493-H1570 WeakPolarHBondContact O-CB 3.03Å; F1493-H1570 PolarHBondContact O-N 2.82Å; F1493-L1695 HydrophobicContact CE1-CD1 4.23Å; F1493-L1695 HydrophobicContact CE1-CD2 3.74Å; F1493-L1695 HydrophobicContact CE2-CD1 4.11Å; F1493-L1695 HydrophobicContact CZ-CD1 3.5Å; F1493-L1695 VanDerWaalsContact CZ-CD1 3.5Å; F1493-L1695 HydrophobicContact CZ-CD2 3.63Å; F1493-L1695 HydrophobicContact CZ-CG 4.21Å
1494	H	31.1	Very low	34.5	Very low	116.2 Å²	116.2	82.3 Å²	82.3	54%	0.538	45%	0.447	S	S	.	.			trans	-135.3	131.6	168.4	-74.8	98.6	0	0	0	112.8	H1418 Q1452 T1453 D1454 V1492 V1522 R1566 F1569 H1570 T1571	H1418-H1494 AromaticContact CE1-ND1 3.28Å; H1418-H1494 PolarHBondContact CE1-ND1 2.71Å; H1418-H1494 VanDerWaalsContact CE1-ND1 3.28Å; H1418-H1494 AromaticContact NE2-CE1 4Å; H1418-H1494 AromaticContact NE2-CG 3.96Å; H1418-H1494 AromaticContact NE2-ND1 3.09Å; H1418-H1494 PolarHBondContact NE2-ND1 3.33Å; Q1452-H1494 VanDerWaalsContact C-CB 3.45Å; Q1452-H1494 VanDerWaalsContact CA-N 3.32Å; Q1452-H1494 HydrophobicContact CB-CB 3.64Å; Q1452-H1494 VanDerWaalsContact CB-N 3.27Å; Q1452-H1494 WeakPolarHBondContact CB-ND1 2.9Å; Q1452-H1494 VanDerWaalsContact O-CB 3.31Å; Q1452-H1494 WeakPolarHBondContact O-CB 3.47Å; Q1452-H1494 PolarHBondContact O-ND1 3.46Å; T1453-H1494 CarbonylContact C-O 3.49Å; T1453-H1494 WeakPolarHBondContact CA-O 3.34Å; T1453-H1494 PolarHBondContact N-O 3.43Å; T1453-H1494 PolarHBondContact O-N 3.45Å; D1454-H1494 PolarHBondContact N-O 3.09Å; V1492-H1494 PolarHBondContact O-CE1 3.19Å; V1492-H1494 VanDerWaalsContact O-CE1 3.28Å; H1494-V1522 WeakPolarHBondContact CE1-CG1 3.38Å; H1494-R1566 PolarHBondContact O-NH1 2.97Å; H1494-F1569 AromaticContact ND1-CZ 3.62Å; H1494-H1570 CarbonylContact C-O 3.6Å; H1494-H1570 WeakPolarHBondContact CA-O 3.45Å; H1494-H1570 WeakPolarHBondContact CD2-CB 3.45Å; H1494-H1570 AromaticContact CD2-CD2 3.55Å; H1494-H1570 AromaticContact CD2-CG 3.59Å; H1494-H1570 PolarHBondContact N-CD2 2.92Å; H1494-H1570 PolarHBondContact N-NE2 2.86Å; H1494-H1570 AromaticContact ND1-CD2 3.51Å; H1494-H1570 AromaticContact ND1-NE2 3.1Å; H1494-H1570 PolarHBondContact ND1-NE2 3.03Å; H1494-H1570 AromaticContact NE2-CD2 3.37Å; H1494-H1570 PolarHBondContact NE2-CD2 2.61Å; H1494-H1570 AromaticContact NE2-CG 3.73Å; H1494-H1570 AromaticContact NE2-NE2 3.7Å; H1494-H1570 WeakPolarHBondContact O-CA 3Å; H1494-T1571 PolarHBondContact O-N 2.84Å
1495	T	29	Very low	33.9	Very low	86 Å²	86	87.5 Å²	87.5	53%	0.528	47%	0.469	S	S	.	.			trans	-107.3	126.3	171.6	-24.5	0	0	0	0	112.9	T1419 D1454 E1488 S1497 R1566 H1570 T1571 V1572	T1419-T1495 HydrophobicContact CG2-CG2 4.06Å; D1454-T1495 HydrophobicContact CB-CG2 3.85Å; D1454-T1495 WeakPolarHBondContact CB-OG1 3.31Å; D1454-T1495 VanDerWaalsContact CG-OG1 3.3Å; D1454-T1495 PolarHBondContact OD2-N 3.28Å; D1454-T1495 PolarHBondContact OD2-OG1 3.4Å; E1488-T1495 PolarHBondContact OE1-N 3.16Å; E1488-T1495 PolarHBondContact OE2-N 2.96Å; T1495-S1497 WeakPolarHBondContact CG2-OG 3.16Å; T1495-S1497 PolarHBondContact O-N 2.93Å; T1495-R1566 PolarHBondContact O-NH1 3.32Å; T1495-R1566 PolarHBondContact O-NH2 2.67Å; T1495-H1570 PolarHBondContact N-O 3.23Å; T1495-T1571 CarbonylContact O-C 2.88Å; T1495-T1571 WeakPolarHBondContact O-CA 3.18Å; T1495-T1571 PolarHBondContact O-N 3.41Å; T1495-T1571 WeakPolarHBondContact OG1-CA 3.21Å; T1495-T1571 WeakPolarHBondContact OG1-CB 3.33Å; T1495-T1571 VanDerWaalsContact OG1-CG2 3.28Å; T1495-T1571 WeakPolarHBondContact OG1-CG2 3.41Å; T1495-T1571 PolarHBondContact OG1-OG1 3.24Å; T1495-V1572 PolarHBondContact O-N 2.88Å
1496	V	32.8	Very low	33.6	Very low	77.2 Å²	77.2	87.9 Å²	87.9	47%	0.468	47%	0.474	S	S	.	.			trans	-118.9	135.3	160.3	-167.2	0	0	0	0	110.9	T1419 N1421 M1442 Q1444 T1485 E1488 V1498 M1518 Q1520 T1561 E1564 R1566 V1572	T1419-V1496 PolarHBondContact O-N 2.9Å; N1421-V1496 PolarHBondContact N-O 3.39Å; M1442-V1496 HydrophobicContact CE-CB 3.58Å; M1442-V1496 HydrophobicContact CE-CG1 4.5Å; M1442-V1496 HydrophobicContact CE-CG2 3.54Å; Q1444-V1496 HydrophobicContact CG-CG2 4.39Å; T1485-V1496 WeakPolarHBondContact CG2-O 3.38Å; E1488-V1496 HydrophobicContact CB-CB 4.12Å; E1488-V1496 HydrophobicContact CB-CG2 4.03Å; E1488-V1496 HydrophobicContact CG-CB 4.03Å; E1488-V1496 HydrophobicContact CG-CG2 3.58Å; E1488-V1496 PolarHBondContact OE2-N 2.97Å; V1496-V1498 HydrophobicContact CG1-CB 4.42Å; V1496-V1498 HydrophobicContact CG1-CG2 4.06Å; V1496-M1518 HydrophobicContact CB-CE 3.5Å; V1496-M1518 VanDerWaalsContact CB-CE 3.5Å; V1496-M1518 HydrophobicContact CG1-CE 3.27Å; V1496-M1518 HydrophobicContact CG1-SD 3.72Å; V1496-Q1520 HydrophobicContact CG1-CG 4.5Å; V1496-Q1520 VanDerWaalsContact CG2-OE1 3.22Å; V1496-T1561 HydrophobicContact CG1-CG2 4.31Å; V1496-E1564 HydrophobicContact CG2-CB 3.68Å; V1496-R1566 VanDerWaalsContact CG2-NE 3.34Å; V1496-V1572 HydrophobicContact CG1-CB 3.79Å; V1496-V1572 HydrophobicContact CG1-CG1 3.94Å
1497	S	26.5	Very low	33.3	Very low	76.8 Å²	76.8	89.7 Å²	89.7	54%	0.537	49%	0.489	S	S	.	.			trans	-121	116.3	173.9	-64.5	0	0	0	0	111.8	T1495 G1499 V1559 Q1560 T1561 V1572 V1574	T1495-S1497 WeakPolarHBondContact CG2-OG 3.16Å; T1495-S1497 PolarHBondContact O-N 2.93Å; S1497-G1499 VanDerWaalsContact C-N 3.33Å; S1497-G1499 PolarHBondContact O-N 2.88Å; S1497-G1499 VanDerWaalsContact O-N 3.08Å; S1497-V1559 CarbonylContact O-C 3.42Å; S1497-V1559 VanDerWaalsContact O-O 3.09Å; S1497-Q1560 CarbonylContact O-C 3.13Å; S1497-Q1560 WeakPolarHBondContact O-CA 3.33Å; S1497-Q1560 PolarHBondContact O-N 3.08Å; S1497-T1561 WeakPolarHBondContact CA-OG1 3.22Å; S1497-T1561 PolarHBondContact N-OG1 2.87Å; S1497-T1561 PolarHBondContact O-N 3.39Å; S1497-T1561 PolarHBondContact O-OG1 3Å; S1497-V1572 PolarHBondContact N-O 3.23Å; S1497-V1574 PolarHBondContact O-N 3.23Å; S1497-V1574 VanDerWaalsContact O-N 3.09Å
1498	V	32.7	Very low	32.8	Very low	83.4 Å²	83.4	91.4 Å²	91.4	51%	0.505	50%	0.503	S	S	.	.			trans	-114.5	126.1	168.3	-172.6	0	0	0	0	110.2	N1421 V1422 G1423 M1442 V1483 Q1484 T1485 V1496 L1500 A1516 M1518 V1559 T1561 P1563 V1574 M1594	N1421-V1498 PolarHBondContact O-N 3.26Å; V1422-V1498 WeakPolarHBondContact CA-O 3.42Å; V1422-V1498 HydrophobicContact CG2-CB 4.09Å; G1423-V1498 PolarHBondContact N-O 2.76Å; M1442-V1498 HydrophobicContact CB-CB 4.28Å; M1442-V1498 HydrophobicContact CB-CG2 3.7Å; M1442-V1498 HydrophobicContact CG-CG2 3.96Å; M1442-V1498 HydrophobicContact SD-CG2 3.89Å; V1483-V1498 WeakPolarHBondContact CG1-O 3.42Å; Q1484-V1498 CarbonylContact C-O 3.59Å; Q1484-V1498 WeakPolarHBondContact CA-O 3.28Å; Q1484-V1498 HydrophobicContact CB-CG1 4.39Å; Q1484-V1498 WeakPolarHBondContact CB-O 3.31Å; Q1484-V1498 PolarHBondContact N-O 3.46Å; Q1484-V1498 CarbonylContact O-C 3.43Å; Q1484-V1498 VanDerWaalsContact O-CB 3.26Å; Q1484-V1498 WeakPolarHBondContact O-CB 3.46Å; Q1484-V1498 VanDerWaalsContact O-CG1 3.3Å; Q1484-V1498 WeakPolarHBondContact O-CG1 3.37Å; T1485-V1498 PolarHBondContact N-O 3Å; V1496-V1498 HydrophobicContact CG1-CB 4.42Å; V1496-V1498 HydrophobicContact CG1-CG2 4.06Å; V1498-L1500 PolarHBondContact O-N 3.25Å; V1498-A1516 HydrophobicContact CG1-CB 4.21Å; V1498-M1518 HydrophobicContact CG2-CB 3.4Å; V1498-M1518 HydrophobicContact CG2-CE 3.35Å; V1498-M1518 HydrophobicContact CG2-CG 4.23Å; V1498-M1518 HydrophobicContact CG2-SD 3.86Å; V1498-V1559 CarbonylContact C-O 3.47Å; V1498-T1561 WeakPolarHBondContact CA-O 3.2Å; V1498-T1561 WeakPolarHBondContact CG2-O 3.05Å; V1498-P1563 HydrophobicContact CG2-CG 3.95Å; V1498-V1574 WeakPolarHBondContact CA-O 3.05Å; V1498-M1594 HydrophobicContact CG1-CE 3.65Å; V1498-M1594 HydrophobicContact CG1-SD 3.65Å
1499	G	29.8	Very low	32.8	Very low	42.8 Å²	42.8	92 Å²	92	44%	0.441	51%	0.508	S	S	.	.			trans	-120.5	164.4	174.6	0	0	0	0	0	112.3	S1497 A1516 S1558 V1559 Q1560 V1574	S1497-G1499 VanDerWaalsContact C-N 3.33Å; S1497-G1499 PolarHBondContact O-N 2.88Å; S1497-G1499 VanDerWaalsContact O-N 3.08Å; G1499-A1516 WeakPolarHBondContact O-CB 3.48Å; G1499-S1558 WeakPolarHBondContact CA-OG 3.22Å; G1499-V1559 WeakPolarHBondContact CA-O 3.1Å; G1499-V1559 PolarHBondContact N-O 2.91Å; G1499-Q1560 WeakPolarHBondContact O-CG 3.25Å; G1499-V1574 PolarHBondContact N-O 2.66Å; G1499-V1574 VanDerWaalsContact N-O 3.14Å
1500	L	38.5	Very low	32.8	Very low	96.4 Å²	96.4	92.8 Å²	92.8	51%	0.505	52%	0.519	S	S	.	.			trans	-160.8	112.3	172.8	-134.4	171.7	0	0	0	110.5	L1424 D1425 L1438 Q1439 A1440 V1498 H1502 L1514 A1516 T1552 V1553 H1554 C1555 H1630	L1424-L1500 HydrophobicContact CG-CB 4.44Å; D1425-L1500 PolarHBondContact N-O 3.46Å; D1425-L1500 VanDerWaalsContact N-O 3.09Å; L1438-L1500 HydrophobicContact CB-CD1 4.34Å; L1438-L1500 HydrophobicContact CB-CD2 4.35Å; L1438-L1500 HydrophobicContact CD1-CD2 3.95Å; L1438-L1500 HydrophobicContact CD2-CD2 4.35Å; L1438-L1500 HydrophobicContact CG-CD2 4.47Å; Q1439-L1500 VanDerWaalsContact C-CD1 3.46Å; Q1439-L1500 VanDerWaalsContact O-CD1 3.25Å; Q1439-L1500 WeakPolarHBondContact O-CD1 3.13Å; A1440-L1500 HydrophobicContact CB-CB 4.08Å; V1498-L1500 PolarHBondContact O-N 3.25Å; L1500-H1502 VanDerWaalsContact C-N 3.3Å; L1500-H1502 HydrophobicContact CD2-CB 4.34Å; L1500-H1502 PolarHBondContact O-N 2.92Å; L1500-L1514 HydrophobicContact CD1-CB 4.38Å; L1500-L1514 HydrophobicContact CD2-CB 4.44Å; L1500-A1516 HydrophobicContact CB-CB 3.99Å; L1500-A1516 HydrophobicContact CD1-CB 4.31Å; L1500-A1516 HydrophobicContact CG-CB 4.33Å; L1500-T1552 HydrophobicContact CD1-CG2 3.68Å; L1500-V1553 HydrophobicContact CB-CG2 3.94Å; L1500-V1553 CarbonylContact O-C 3.52Å; L1500-H1554 CarbonylContact O-C 3.41Å; L1500-H1554 WeakPolarHBondContact O-CA 3.48Å; L1500-H1554 PolarHBondContact O-N 2.68Å; L1500-C1555 PolarHBondContact O-N 3.22Å; L1500-C1555 PolarHBondContact O-SG 3.2Å; L1500-H1630 CarbonylContact C-O 3.59Å; L1500-H1630 VanDerWaalsContact C-O 3.29Å; L1500-H1630 WeakPolarHBondContact CA-O 3.39Å; L1500-H1630 HydrophobicContact CD2-CB 3.91Å; L1500-H1630 WeakPolarHBondContact CD2-O 3.09Å
1501	D	33.1	Very low	33	Very low	99 Å²	99	89.3 Å²	89.3	53%	0.529	52%	0.522	S	S	.	.			trans	-103.6	137.1	-168.8	-78.3	-33.6	0	0	0	113.4	C1555 A1556 Q1557 S1558 V1576 L1578 H1630 C1631 A1632	D1501-C1555 CarbonylContact C-O 3.32Å; D1501-C1555 WeakPolarHBondContact CA-O 3.48Å; D1501-C1555 VanDerWaalsContact CB-O 3.31Å; D1501-C1555 WeakPolarHBondContact CB-O 3.04Å; D1501-C1555 WeakPolarHBondContact OD1-CB 3.11Å; D1501-C1555 PolarHBondContact OD1-SG 2.92Å; D1501-A1556 PolarHBondContact OD1-N 3.33Å; D1501-A1556 VanDerWaalsContact OD1-N 3.09Å; D1501-Q1557 VanDerWaalsContact OD1-CA 3.28Å; D1501-Q1557 WeakPolarHBondContact OD1-CA 3.27Å; D1501-Q1557 PolarHBondContact OD1-N 2.83Å; D1501-S1558 WeakPolarHBondContact OD1-CB 3.48Å; D1501-S1558 PolarHBondContact OD1-N 2.86Å; D1501-S1558 WeakPolarHBondContact OD2-CA 3.39Å; D1501-S1558 VanDerWaalsContact OD2-CB 3.26Å; D1501-S1558 WeakPolarHBondContact OD2-CB 3.26Å; D1501-S1558 PolarHBondContact OD2-N 2.84Å; D1501-V1576 PolarHBondContact N-O 3.32Å; D1501-V1576 VanDerWaalsContact N-O 3.15Å; D1501-L1578 PolarHBondContact O-N 3.21Å; D1501-H1630 PolarHBondContact N-O 3.09Å; D1501-H1630 CarbonylContact O-C 3.12Å; D1501-H1630 WeakPolarHBondContact O-CB 3.33Å; D1501-C1631 WeakPolarHBondContact O-CA 3.48Å; D1501-C1631 PolarHBondContact O-N 3.08Å; D1501-C1631 PolarHBondContact OD2-SG 3.26Å; D1501-A1632 HydrophobicContact CB-CB 3.57Å; D1501-A1632 WeakPolarHBondContact OD2-CB 3.49Å; D1501-A1632 PolarHBondContact OD2-N 2.61Å
1502	H	37	Very low	33.4	Very low	105.6 Å²	105.6	92.3 Å²	92.3	49%	0.489	53%	0.527	S	S	.	.			trans	-105.5	124	165	-126.8	-54.6	0	0	0	112.3	D1425 H1426 T1427 K1436 L1438 L1500 E1504 L1514 H1554 C1555 L1578 L1582 H1630	D1425-H1502 PolarHBondContact O-N 3.14Å; H1426-H1502 AromaticContact CD2-ND1 3.96Å; T1427-H1502 PolarHBondContact N-O 3.29Å; K1436-H1502 PolarHBondContact NZ-NE2 2.76Å; L1438-H1502 HydrophobicContact CD1-CB 3.73Å; L1438-H1502 HydrophobicContact CD2-CB 4.44Å; L1500-H1502 VanDerWaalsContact C-N 3.3Å; L1500-H1502 HydrophobicContact CD2-CB 4.34Å; L1500-H1502 PolarHBondContact O-N 2.92Å; H1502-E1504 IonicContact CE1-OE2 3.43Å; H1502-E1504 PolarHBondContact CE1-OE2 2.96Å; H1502-E1504 VanDerWaalsContact CE1-OE2 3.26Å; H1502-E1504 IonicContact NE2-OE2 3.87Å; H1502-E1504 PolarHBondContact O-N 2.95Å; H1502-L1514 HydrophobicContact CB-CD1 4.25Å; H1502-L1514 WeakPolarHBondContact CD2-CD1 3.27Å; H1502-H1554 AromaticContact CD2-CE1 3.93Å; H1502-H1554 AromaticContact CD2-NE2 3.55Å; H1502-H1554 AromaticContact CG-NE2 3.94Å; H1502-H1554 PolarHBondContact O-CE1 2.76Å; H1502-H1554 PolarHBondContact O-ND1 3.02Å; H1502-C1555 CarbonylContact C-O 3.31Å; H1502-C1555 PolarHBondContact N-O 2.88Å; H1502-L1578 PolarHBondContact ND1-O 2.82Å; H1502-L1578 VanDerWaalsContact ND1-O 3.08Å; H1502-L1582 WeakPolarHBondContact CE1-CD1 3.43Å; H1502-L1582 VanDerWaalsContact CE1-CD2 3.42Å; H1502-L1582 WeakPolarHBondContact CE1-CD2 3.23Å; H1502-H1630 HydrophobicContact CB-CB 4.2Å; H1502-H1630 AromaticContact ND1-CD2 3.8Å
1503	T	36	Very low	33.6	Very low	90.4 Å²	90.4	94.9 Å²	94.9	56%	0.555	53%	0.532	S	S	*	.			trans	-124.4	102.3	156.4	-73.5	0	0	0	0	112.6	K1429 K1505 A1556 L1578 T1579 A1632	K1429-T1503 WeakPolarHBondContact CD-O 3.18Å; K1429-T1503 WeakPolarHBondContact CE-O 3.33Å; K1429-T1503 PolarHBondContact NZ-O 2.82Å; K1429-T1503 PolarHBondContact NZ-OG1 2.95Å; T1503-K1505 HydrophobicContact CG2-CG 4.42Å; T1503-K1505 PolarHBondContact O-N 2.77Å; T1503-A1556 VanDerWaalsContact CB-O 3.28Å; T1503-A1556 WeakPolarHBondContact CB-O 3.13Å; T1503-A1556 WeakPolarHBondContact OG1-CA 3.12Å; T1503-A1556 WeakPolarHBondContact OG1-CB 3.47Å; T1503-A1556 PolarHBondContact OG1-O 3.39Å; T1503-L1578 PolarHBondContact N-O 3.44Å; T1503-L1578 VanDerWaalsContact O-O 3.11Å; T1503-T1579 HydrophobicContact CG2-CG2 3.3Å; T1503-T1579 PolarHBondContact N-OG1 2.66Å; T1503-A1632 HydrophobicContact CG2-CB 4.42Å
1504	E	36.7	Very low	34	Very low	88.2 Å²	88.2	95.4 Å²	95.4	41%	0.412	54%	0.538	S	S	.	.			trans	-67.4	127.4	176.1	-168	-166.3	160.9	0	0	113.6	K1429 L1433 K1436 H1502 S1506 L1509	K1429-E1504 WeakPolarHBondContact CD-O 3.35Å; K1429-E1504 IonicContact NZ-OE2 2.71Å; K1429-E1504 PolarHBondContact NZ-OE2 2.93Å; L1433-E1504 VanDerWaalsContact CD1-OE1 3.23Å; L1433-E1504 WeakPolarHBondContact CD1-OE1 3.17Å; L1433-E1504 WeakPolarHBondContact CD1-OE2 3.23Å; L1433-E1504 VanDerWaalsContact CD2-OE1 3.27Å; L1433-E1504 WeakPolarHBondContact CD2-OE1 3.13Å; L1433-E1504 WeakPolarHBondContact CD2-OE2 3.39Å; L1433-E1504 VanDerWaalsContact CG-OE1 3.3Å; L1433-E1504 WeakPolarHBondContact CG-OE1 2.88Å; K1436-E1504 WeakPolarHBondContact CE-OE2 3.42Å; K1436-E1504 IonicContact NZ-OE1 3.82Å; K1436-E1504 PolarHBondContact NZ-OE1 3.49Å; K1436-E1504 IonicContact NZ-OE2 2.95Å; K1436-E1504 PolarHBondContact NZ-OE2 3.02Å; H1502-E1504 IonicContact CE1-OE2 3.43Å; H1502-E1504 PolarHBondContact CE1-OE2 2.96Å; H1502-E1504 VanDerWaalsContact CE1-OE2 3.26Å; H1502-E1504 IonicContact NE2-OE2 3.87Å; H1502-E1504 PolarHBondContact O-N 2.95Å; E1504-S1506 WeakPolarHBondContact OE1-CB 3.25Å; E1504-S1506 PolarHBondContact OE1-OG 3.13Å; E1504-L1509 WeakPolarHBondContact OE1-CB 3.46Å; E1504-L1509 WeakPolarHBondContact OE1-CD1 3.27Å; E1504-L1509 WeakPolarHBondContact OE1-CG 3.36Å
1505	K	34.8	Very low	34.1	Very low	157.6 Å²	157.6	94.8 Å²	94.8	69%	0.685	54%	0.536	S	S	*	.			trans	-133.9	68.1	166.1	-77.2	178.5	-178.3	167.8	0	113.5	S1430 T1503 T1579 G1580 L1582	S1430-K1505 VanDerWaalsContact CB-O 3.28Å; S1430-K1505 WeakPolarHBondContact CB-O 3.32Å; S1430-K1505 PolarHBondContact OG-O 3.41Å; T1503-K1505 HydrophobicContact CG2-CG 4.42Å; T1503-K1505 PolarHBondContact O-N 2.77Å; K1505-T1579 WeakPolarHBondContact CD-O 3.21Å; K1505-T1579 WeakPolarHBondContact CE-O 3.07Å; K1505-T1579 PolarHBondContact NZ-O 3.35Å; K1505-G1580 PolarHBondContact NZ-O 2.92Å; K1505-L1582 HydrophobicContact CB-CB 4.26Å; K1505-L1582 HydrophobicContact CB-CD1 4.08Å; K1505-L1582 HydrophobicContact CD-CD1 4.2Å; K1505-L1582 HydrophobicContact CD-CG 4.5Å; K1505-L1582 HydrophobicContact CG-CD1 4.02Å
1506	S	33.8	Very low	34.3	Very low	59.4 Å²	59.4	93.4 Å²	93.4	42%	0.415	53%	0.533	S	S	.	.			trans	-106.8	156.1	-178.7	-49.5	0	0	0	0	112.4	S1430 E1504 K1581 L1582	S1430-S1506 WeakPolarHBondContact CB-O 3.28Å; S1430-S1506 VanDerWaalsContact OG-C 3.25Å; S1430-S1506 PolarHBondContact OG-N 2.98Å; S1430-S1506 PolarHBondContact OG-O 2.63Å; E1504-S1506 WeakPolarHBondContact OE1-CB 3.25Å; E1504-S1506 PolarHBondContact OE1-OG 3.13Å; S1506-K1581 WeakPolarHBondContact OG-CA 3.27Å; S1506-K1581 PolarHBondContact OG-O 2.78Å; S1506-L1582 WeakPolarHBondContact CB-O 3.45Å; S1506-L1582 PolarHBondContact OG-N 2.88Å; S1506-L1582 PolarHBondContact OG-O 2.93Å
1507	P	34.5	Very low	34.3	Very low	96.6 Å²	96.6	93 Å²	93	63%	0.627	53%	0.531	S	S	*	.			trans	-113.3	147.9	139.6	25.3	-12.6	0	0	0	114.8	S1584	P1507-S1584 PolarHBondContact O-N 3.01Å; P1507-S1584 PolarHBondContact O-OG 3.01Å
1508	S	29.7	Very low	34.6	Very low	89 Å²	89	93.4 Å²	93.4	62%	0.622	53%	0.525	S	S	*	.			trans	30	121.8	146.5	59.8	0	0	0	0	118.1	S1432 S1584 V1585	S1432-S1508 PolarHBondContact OG-N 2.83Å; S1508-S1584 VanDerWaalsContact N-CA 3.28Å; S1508-S1584 PolarHBondContact N-OG 2.99Å; S1508-S1584 CarbonylContact O-C 3.17Å; S1508-S1584 VanDerWaalsContact O-CA 3.28Å; S1508-S1584 WeakPolarHBondContact O-CA 3.13Å; S1508-S1584 WeakPolarHBondContact O-CB 3.28Å; S1508-S1584 PolarHBondContact O-OG 3.42Å; S1508-S1584 PolarHBondContact OG-OG 3.09Å; S1508-V1585 PolarHBondContact O-N 2.75Å
1509	L	35.7	Very low	34.5	Very low	96.4 Å²	96.4	95.9 Å²	95.9	51%	0.505	53%	0.525	S	S	.	.			trans	-165	127.8	146.8	-102.1	169.2	0	0	0	114.8	L1433 K1436 E1504 G1511 K1512 L1582 V1585 L1586	L1433-L1509 HydrophobicContact CD2-CB 4.05Å; L1433-L1509 HydrophobicContact CD2-CD2 3.51Å; L1433-L1509 WeakPolarHBondContact CD2-O 3Å; L1433-L1509 HydrophobicContact CG-CD2 3.97Å; K1436-L1509 WeakPolarHBondContact CE-O 3.5Å; E1504-L1509 WeakPolarHBondContact OE1-CB 3.46Å; E1504-L1509 WeakPolarHBondContact OE1-CD1 3.27Å; E1504-L1509 WeakPolarHBondContact OE1-CG 3.36Å; L1509-G1511 VanDerWaalsContact CD2-N 3.25Å; L1509-G1511 WeakPolarHBondContact CD2-O 3.24Å; L1509-K1512 HydrophobicContact CD1-CD 4.11Å; L1509-K1512 HydrophobicContact CD1-CG 4.36Å; L1509-K1512 HydrophobicContact CD2-CB 4.42Å; L1509-K1512 HydrophobicContact CD2-CG 4.07Å; L1509-L1582 HydrophobicContact CD1-CB 3.9Å; L1509-L1582 HydrophobicContact CD1-CD1 3.52Å; L1509-L1582 HydrophobicContact CD1-CG 4.34Å; L1509-L1582 HydrophobicContact CD2-CB 4.17Å; L1509-V1585 VanDerWaalsContact CD1-O 3.27Å; L1509-V1585 WeakPolarHBondContact CD1-O 3.25Å; L1509-V1585 VanDerWaalsContact CG-O 3.24Å; L1509-V1585 WeakPolarHBondContact CG-O 3.08Å; L1509-L1586 HydrophobicContact CD2-CD2 4.46Å; L1509-L1586 HydrophobicContact CG-CD2 4.29Å
1510	V	33.2	Very low	34.6	Very low	108.6 Å²	108.6	98.7 Å²	98.7	66%	0.658	53%	0.527	S	S	*	.			trans	-32.5	118.5	170.5	-175	0	0	0	0	114.8	V1434 L1586 Y1587	V1434-V1510 HydrophobicContact CB-CG1 4.29Å; V1434-V1510 HydrophobicContact CB-CG2 4.38Å; V1434-V1510 HydrophobicContact CG2-CG1 4.23Å; V1434-V1510 WeakPolarHBondContact O-CA 3.25Å; V1510-L1586 HydrophobicContact CB-CD2 4.08Å; V1510-L1586 HydrophobicContact CG2-CD2 4.44Å; V1510-Y1587 WeakPolarHBondContact O-CE1 3.28Å; V1510-Y1587 PolarHBondContact O-OH 3.09Å
1511	G	36.2	Very low	34.2	Very low	51 Å²	51	97.6 Å²	97.6	53%	0.526	53%	0.528	S	S	.	.			cis	102.6	95.7	46.8	0	0	0	0	0	114.9	V1434 G1435 L1509 Y1587	V1434-G1511 WeakPolarHBondContact O-CA 2.92Å; V1434-G1511 PolarHBondContact O-N 2.97Å; G1435-G1511 CarbonylContact O-C 3.24Å; G1435-G1511 WeakPolarHBondContact O-CA 3.48Å; G1435-G1511 PolarHBondContact O-N 3.43Å; L1509-G1511 VanDerWaalsContact CD2-N 3.25Å; L1509-G1511 WeakPolarHBondContact CD2-O 3.24Å; G1511-Y1587 VanDerWaalsContact O-CD1 3.23Å; G1511-Y1587 WeakPolarHBondContact O-CD1 3.42Å; G1511-Y1587 WeakPolarHBondContact O-CE1 3.33Å
1512	K	40.4	Very low	34.1	Very low	133.4 Å²	133.4	96.3 Å²	96.3	58%	0.58	52%	0.523	S	S	*	.			trans	-141.1	143.6	168.3	-81.2	-175.9	-178.9	-179.3	0	112	G1435 K1436 K1437 L1509 V1585 E1588 N1589	G1435-K1512 PolarHBondContact O-N 2.67Å; K1436-K1512 WeakPolarHBondContact CA-O 3.21Å; K1437-K1512 PolarHBondContact N-O 3.03Å; L1509-K1512 HydrophobicContact CD1-CD 4.11Å; L1509-K1512 HydrophobicContact CD1-CG 4.36Å; L1509-K1512 HydrophobicContact CD2-CB 4.42Å; L1509-K1512 HydrophobicContact CD2-CG 4.07Å; K1512-V1585 WeakPolarHBondContact CE-O 3.45Å; K1512-V1585 PolarHBondContact NZ-O 3.13Å; K1512-E1588 WeakPolarHBondContact CE-O 3.35Å; K1512-E1588 PolarHBondContact NZ-O 3.01Å; K1512-N1589 WeakPolarHBondContact CB-OD1 2.93Å; K1512-N1589 HydrophobicContact CD-CB 4.23Å; K1512-N1589 WeakPolarHBondContact CG-OD1 3.39Å
1513	K	34.4	Very low	33.7	Very low	140 Å²	140	97.3 Å²	97.3	61%	0.609	53%	0.528	S	S	*	.			trans	-85.7	137.1	169.9	-106.2	-173.9	177	-158.3	0	110.1	K1437 Q1515 N1589 V1590	K1437-K1513 HydrophobicContact CB-CG 4.45Å; K1437-K1513 WeakPolarHBondContact O-CA 3.17Å; K1513-Q1515 HydrophobicContact CG-CB 4.11Å; K1513-Q1515 PolarHBondContact NZ-O 3.46Å; K1513-N1589 HydrophobicContact CB-CB 4.44Å; K1513-N1589 VanDerWaalsContact CB-OD1 3.32Å; K1513-N1589 WeakPolarHBondContact CB-OD1 3.36Å; K1513-N1589 PolarHBondContact N-OD1 2.98Å; K1513-N1589 WeakPolarHBondContact O-CB 3.47Å; K1513-N1589 PolarHBondContact O-OD1 2.95Å; K1513-V1590 PolarHBondContact NZ-O 3.26Å; K1513-V1590 PolarHBondContact O-N 3.47Å; K1513-V1590 VanDerWaalsContact O-N 3.11Å
1514	L	39	Very low	33.3	Very low	108.8 Å²	108.8	97.5 Å²	97.5	57%	0.57	53%	0.525	S	S	*	.			trans	-131.7	130.2	153.3	-77.6	177.8	0	0	0	108	K1436 K1437 L1438 Q1439 L1500 H1502 H1554 L1578 V1590	K1436-L1514 HydrophobicContact CD-CD1 4.03Å; K1436-L1514 HydrophobicContact CG-CD1 4.2Å; K1437-L1514 CarbonylContact C-O 3.58Å; K1437-L1514 PolarHBondContact O-N 2.96Å; L1438-L1514 CarbonylContact C-O 3.35Å; L1438-L1514 WeakPolarHBondContact CA-O 3.41Å; L1438-L1514 HydrophobicContact CD1-CB 3.88Å; L1438-L1514 VanDerWaalsContact CD1-O 3.32Å; L1438-L1514 WeakPolarHBondContact CD1-O 3.16Å; L1438-L1514 HydrophobicContact CD2-CB 3.74Å; L1438-L1514 HydrophobicContact CD2-CD1 3.6Å; L1438-L1514 HydrophobicContact CD2-CG 3.8Å; L1438-L1514 HydrophobicContact CG-CB 4.36Å; L1438-L1514 WeakPolarHBondContact CG-O 3.39Å; Q1439-L1514 PolarHBondContact N-O 3.29Å; L1500-L1514 HydrophobicContact CD1-CB 4.38Å; L1500-L1514 HydrophobicContact CD2-CB 4.44Å; H1502-L1514 HydrophobicContact CB-CD1 4.25Å; H1502-L1514 WeakPolarHBondContact CD2-CD1 3.27Å; L1514-H1554 WeakPolarHBondContact CD2-CD2 3.21Å; L1514-H1554 WeakPolarHBondContact CD2-NE2 3.38Å; L1514-L1578 HydrophobicContact CD1-CD1 3.56Å; L1514-L1578 HydrophobicContact CD2-CD1 3.64Å; L1514-L1578 HydrophobicContact CG-CD1 4.22Å; L1514-V1590 CarbonylContact C-O 3.23Å; L1514-V1590 VanDerWaalsContact CA-O 3.31Å; L1514-V1590 WeakPolarHBondContact CA-O 3.29Å; L1514-V1590 HydrophobicContact CD2-CB 3.67Å; L1514-V1590 HydrophobicContact CD2-CG2 3.79Å
1515	Q	32.5	Very low	32.8	Very low	104.4 Å²	104.4	98.2 Å²	98.2	49%	0.488	54%	0.536	S	S	.	.			trans	-150.7	128	-174.4	-178.7	176.9	-11.3	0	0	111.2	Q1439 K1513 T1517 V1590 Q1591 A1592	Q1439-Q1515 HydrophobicContact CB-CG 4.36Å; Q1439-Q1515 HydrophobicContact CG-CG 4.49Å; Q1439-Q1515 CarbonylContact O-C 3.04Å; Q1439-Q1515 VanDerWaalsContact O-CA 3.27Å; Q1439-Q1515 WeakPolarHBondContact O-CA 3.47Å; Q1439-Q1515 WeakPolarHBondContact O-CG 3.26Å; Q1439-Q1515 PolarHBondContact O-NE2 2.75Å; K1513-Q1515 HydrophobicContact CG-CB 4.11Å; K1513-Q1515 PolarHBondContact NZ-O 3.46Å; Q1515-T1517 WeakPolarHBondContact CG-OG1 3.31Å; Q1515-T1517 PolarHBondContact NE2-OG1 3.02Å; Q1515-T1517 PolarHBondContact O-N 2.59Å; Q1515-V1590 PolarHBondContact N-O 2.98Å; Q1515-Q1591 HydrophobicContact CB-CG 4.19Å; Q1515-Q1591 HydrophobicContact CG-CG 4.4Å; Q1515-Q1591 CarbonylContact O-C 3.04Å; Q1515-Q1591 WeakPolarHBondContact O-CA 3.18Å; Q1515-Q1591 PolarHBondContact O-OE1 3.27Å; Q1515-A1592 PolarHBondContact O-N 2.57Å
1516	A	33.8	Very low	32.4	Very low	55.6 Å²	55.6	94.3 Å²	94.3	46%	0.46	53%	0.529	S	S	.	.			trans	-119.7	136.3	-179.8	0	0	0	0	0	110.4	L1424 Q1439 A1440 T1441 G1475 T1476 V1498 G1499 L1500 T1552 V1576 Q1591	L1424-A1516 HydrophobicContact CD1-CB 3.77Å; Q1439-A1516 PolarHBondContact O-N 3.19Å; Q1439-A1516 VanDerWaalsContact O-O 3.12Å; A1440-A1516 CarbonylContact C-O 3.55Å; A1440-A1516 WeakPolarHBondContact CA-O 3.3Å; T1441-A1516 PolarHBondContact N-O 3.23Å; G1475-A1516 CarbonylContact O-C 3.42Å; T1476-A1516 HydrophobicContact CG2-CB 3.95Å; T1476-A1516 VanDerWaalsContact OG1-C 3.24Å; T1476-A1516 WeakPolarHBondContact OG1-CA 3.48Å; T1476-A1516 WeakPolarHBondContact OG1-CB 3.24Å; T1476-A1516 PolarHBondContact OG1-N 2.8Å; T1476-A1516 PolarHBondContact OG1-O 2.91Å; V1498-A1516 HydrophobicContact CG1-CB 4.21Å; G1499-A1516 WeakPolarHBondContact O-CB 3.48Å; L1500-A1516 HydrophobicContact CB-CB 3.99Å; L1500-A1516 HydrophobicContact CD1-CB 4.31Å; L1500-A1516 HydrophobicContact CG-CB 4.33Å; A1516-T1552 WeakPolarHBondContact CB-O 3.29Å; A1516-V1576 HydrophobicContact CB-CG2 3.95Å; A1516-Q1591 PolarHBondContact O-NE2 3.13Å
1517	T	31.6	Very low	32.1	Very low	69.4 Å²	69.4	95.9 Å²	95.9	43%	0.426	54%	0.536	S	S	.	.			trans	178.4	120.3	139.7	-51.3	0	0	0	0	111.5	T1441 G1475 Q1515 S1550 G1551 T1552 Q1591 A1592 T1593 M1594	T1441-T1517 VanDerWaalsContact O-CA 3.24Å; T1441-T1517 WeakPolarHBondContact O-CA 3.28Å; G1475-T1517 WeakPolarHBondContact O-CA 3.46Å; Q1515-T1517 WeakPolarHBondContact CG-OG1 3.31Å; Q1515-T1517 PolarHBondContact NE2-OG1 3.02Å; Q1515-T1517 PolarHBondContact O-N 2.59Å; T1517-S1550 VanDerWaalsContact CG2-OG 3.25Å; T1517-S1550 WeakPolarHBondContact CG2-OG 3.47Å; T1517-G1551 CarbonylContact O-C 3.49Å; T1517-G1551 VanDerWaalsContact O-C 3.27Å; T1517-G1551 WeakPolarHBondContact O-CA 3.43Å; T1517-G1551 PolarHBondContact O-N 3.12Å; T1517-T1552 PolarHBondContact N-O 2.87Å; T1517-T1552 VanDerWaalsContact N-O 3.13Å; T1517-T1552 PolarHBondContact O-N 2.87Å; T1517-Q1591 WeakPolarHBondContact OG1-CG 3.31Å; T1517-Q1591 PolarHBondContact OG1-NE2 3.31Å; T1517-A1592 PolarHBondContact N-O 2.71Å; T1517-A1592 VanDerWaalsContact N-O 3.07Å; T1517-T1593 CarbonylContact O-C 3.58Å; T1517-T1593 VanDerWaalsContact O-CA 3.27Å; T1517-T1593 WeakPolarHBondContact O-CA 3.47Å; T1517-M1594 PolarHBondContact O-N 3.21Å
1518	M	33.2	Very low	31.6	Very low	85 Å²	85	95.8 Å²	95.8	42%	0.419	53%	0.527	S	S	.	.			trans	-150	146.4	151.5	-125	174.4	77.4	0	0	110.5	I1410 V1422 T1441 M1442 R1443 V1477 Q1484 T1485 I1486 V1496 V1498 V1572 V1574 M1594	I1410-M1518 HydrophobicContact CD1-CE 3.8Å; I1410-M1518 HydrophobicContact CD1-SD 4.33Å; I1410-M1518 HydrophobicContact CG1-CE 3.96Å; I1410-M1518 HydrophobicContact CG1-CG 4.39Å; I1410-M1518 HydrophobicContact CG1-SD 3.8Å; I1410-M1518 HydrophobicContact CG2-CB 4.4Å; I1410-M1518 HydrophobicContact CG2-CG 4.45Å; V1422-M1518 HydrophobicContact CG1-CE 3.53Å; V1422-M1518 HydrophobicContact CG1-SD 3.68Å; T1441-M1518 PolarHBondContact O-N 2.95Å; M1442-M1518 HydrophobicContact CE-CE 3.53Å; M1442-M1518 WeakPolarHBondContact CE-O 3.5Å; M1442-M1518 HydrophobicContact CG-CE 3.75Å; M1442-M1518 HydrophobicContact SD-CE 3.55Å; M1442-M1518 VanDerWaalsContact SD-CE 3.55Å; R1443-M1518 PolarHBondContact N-O 2.98Å; V1477-M1518 HydrophobicContact CG2-CB 3.9Å; V1477-M1518 HydrophobicContact CG2-CG 4.38Å; V1477-M1518 HydrophobicContact CG2-SD 3.7Å; Q1484-M1518 HydrophobicContact CG-CE 3.76Å; Q1484-M1518 HydrophobicContact CG-SD 3.78Å; Q1484-M1518 PolarHBondContact NE2-SD 3.36Å; Q1484-M1518 WeakPolarHBondContact O-CE 3.19Å; T1485-M1518 WeakPolarHBondContact O-CE 3.12Å; I1486-M1518 HydrophobicContact CB-CE 4.34Å; I1486-M1518 HydrophobicContact CD1-CE 4.49Å; I1486-M1518 HydrophobicContact CG1-CE 3.43Å; I1486-M1518 VanDerWaalsContact CG1-CE 3.43Å; V1496-M1518 HydrophobicContact CB-CE 3.5Å; V1496-M1518 VanDerWaalsContact CB-CE 3.5Å; V1496-M1518 HydrophobicContact CG1-CE 3.27Å; V1496-M1518 HydrophobicContact CG1-SD 3.72Å; V1498-M1518 HydrophobicContact CG2-CB 3.4Å; V1498-M1518 HydrophobicContact CG2-CE 3.35Å; V1498-M1518 HydrophobicContact CG2-CG 4.23Å; V1498-M1518 HydrophobicContact CG2-SD 3.86Å; M1518-V1572 HydrophobicContact SD-CG1 4.35Å; M1518-V1574 HydrophobicContact CB-CG2 4.18Å; M1518-V1574 HydrophobicContact CG-CG2 3.93Å; M1518-V1574 HydrophobicContact SD-CB 4.27Å; M1518-V1574 HydrophobicContact SD-CG2 3.56Å; M1518-V1574 VanDerWaalsContact SD-CG2 3.56Å; M1518-M1594 HydrophobicContact CG-CE 3.73Å; M1518-M1594 HydrophobicContact SD-CE 3.69Å
1519	R	31.2	Very low	31.6	Very low	136.2 Å²	136.2	96 Å²	96	51%	0.514	53%	0.525	S	S	.	.			trans	-152.2	157	168.4	-98	176.6	173.2	-169.1	9.2	111.8	I1334 T1441 M1442 R1443 T1472 Q1473 S1474 M1594 R1595 Q1596	I1334-R1519 HydrophobicContact CD1-CG 4.07Å; T1441-R1519 PolarHBondContact O-NH2 2.7Å; M1442-R1519 HydrophobicContact CE-CG 4.12Å; M1442-R1519 HydrophobicContact CG-CG 4.04Å; M1442-R1519 HydrophobicContact SD-CG 4.29Å; R1443-R1519 WeakPolarHBondContact O-CA 3.31Å; R1443-R1519 PolarHBondContact O-NE 2.92Å; R1443-R1519 VanDerWaalsContact O-NE 3.08Å; R1443-R1519 PolarHBondContact O-NH1 2.66Å; T1472-R1519 VanDerWaalsContact O-CZ 3.31Å; T1472-R1519 PolarHBondContact O-NH1 2.8Å; T1472-R1519 PolarHBondContact O-NH2 3.09Å; Q1473-R1519 HydrophobicContact CB-CB 4.01Å; Q1473-R1519 HydrophobicContact CG-CB 4.29Å; Q1473-R1519 VanDerWaalsContact OE1-NH1 3.11Å; S1474-R1519 VanDerWaalsContact N-NH2 3.17Å; S1474-R1519 WeakPolarHBondContact O-CD 3.29Å; S1474-R1519 PolarHBondContact O-NH2 2.86Å; R1519-M1594 PolarHBondContact N-O 2.98Å; R1519-R1595 WeakPolarHBondContact O-CA 3.32Å; R1519-Q1596 PolarHBondContact O-N 2.97Å
1520	Q	31.7	Very low	31.2	Very low	101.4 Å²	101.4	95.1 Å²	95.1	47%	0.474	52%	0.52	S	S	.	.			trans	169.9	136.2	157.3	-172.9	172.1	16.5	0	0	111.6	I1334 P1411 E1413 R1443 Q1444 S1445 Q1473 P1487 V1496 V1522	I1334-Q1520 HydrophobicContact CD1-CB 4.38Å; P1411-Q1520 HydrophobicContact CG-CB 3.74Å; P1411-Q1520 HydrophobicContact CG-CG 4.02Å; E1413-Q1520 HydrophobicContact CB-CG 3.97Å; E1413-Q1520 HydrophobicContact CG-CG 4.2Å; E1413-Q1520 WeakPolarHBondContact OE1-CG 3.3Å; E1413-Q1520 WeakPolarHBondContact OE2-CG 3.43Å; E1413-Q1520 PolarHBondContact OE2-NE2 3.46Å; R1443-Q1520 PolarHBondContact O-N 3.17Å; Q1444-Q1520 WeakPolarHBondContact CA-O 3.4Å; Q1444-Q1520 PolarHBondContact OE1-O 2.88Å; S1445-Q1520 PolarHBondContact N-O 3.26Å; Q1473-Q1520 PolarHBondContact NE2-O 2.69Å; P1487-Q1520 PolarHBondContact O-NE2 2.79Å; V1496-Q1520 HydrophobicContact CG1-CG 4.5Å; V1496-Q1520 VanDerWaalsContact CG2-OE1 3.22Å; Q1520-V1522 HydrophobicContact CG-CG2 4.19Å
1521	S	29.7	Very low	31.2	Very low	74.6 Å²	74.6	94 Å²	94	52%	0.522	52%	0.516	S	S	.	.			trans	-150.6	138.6	148.9	46.9	0	0	0	0	109.8	E1413 Q1444 F1544 R1595 Q1596 S1597	E1413-S1521 VanDerWaalsContact OE1-C 3.28Å; E1413-S1521 PolarHBondContact OE1-N 2.69Å; E1413-S1521 VanDerWaalsContact OE1-N 3.15Å; Q1444-S1521 VanDerWaalsContact NE2-CA 3.29Å; S1521-F1544 WeakPolarHBondContact OG-CD2 3.44Å; S1521-R1595 PolarHBondContact OG-NH1 2.93Å; S1521-R1595 PolarHBondContact OG-NH2 2.74Å; S1521-Q1596 PolarHBondContact N-O 2.77Å; S1521-Q1596 PolarHBondContact OG-O 2.94Å; S1521-S1597 VanDerWaalsContact O-CB 3.25Å; S1521-S1597 WeakPolarHBondContact O-CB 2.83Å
1522	V	31.6	Very low	30.9	Very low	70.6 Å²	70.6	98.3 Å²	98.3	43%	0.428	52%	0.524	S	S	.	.			trans	-155.2	127.7	137.2	-162.5	0	0	0	0	110.6	E1413 S1445 V1446 E1447 H1494 Q1520 N1524 F1544 V1598	E1413-V1522 VanDerWaalsContact CD-CG1 3.48Å; E1413-V1522 HydrophobicContact CG-CG1 3.9Å; E1413-V1522 HydrophobicContact CG-CG2 4.13Å; S1445-V1522 CarbonylContact C-O 3.56Å; S1445-V1522 PolarHBondContact O-N 3.14Å; S1445-V1522 VanDerWaalsContact O-O 3.11Å; V1446-V1522 HydrophobicContact CG2-CG2 4Å; V1446-V1522 VanDerWaalsContact CG2-O 3.3Å; V1446-V1522 WeakPolarHBondContact CG2-O 3.31Å; E1447-V1522 PolarHBondContact N-O 2.91Å; H1494-V1522 WeakPolarHBondContact CE1-CG1 3.38Å; Q1520-V1522 HydrophobicContact CG-CG2 4.19Å; V1522-N1524 HydrophobicContact CG1-CB 4.12Å; V1522-F1544 VanDerWaalsContact C-CE2 3.46Å; V1522-F1544 WeakPolarHBondContact O-CZ 3.1Å; V1522-V1598 VanDerWaalsContact CG1-O 3.24Å; V1522-V1598 WeakPolarHBondContact CG1-O 3.2Å
1523	E	27.4	Very low	30.4	Very low	126 Å²	126	95.4 Å²	95.4	59%	0.589	53%	0.525	S	S	*	.			trans	-135.7	141.2	143.4	-121.6	161.3	-166.8	0	0	109.7	E1447 K1465 T1466 T1467 F1468 T1525 K1541 T1542 T1543 F1544 N1600	E1447-E1523 HydrophobicContact CB-CG 4.39Å; E1447-E1523 WeakPolarHBondContact O-CB 3.21Å; K1465-E1523 IonicContact NZ-OE2 3.95Å; K1465-E1523 PolarHBondContact NZ-OE2 3.42Å; T1466-E1523 VanDerWaalsContact C-OE1 3.23Å; T1466-E1523 WeakPolarHBondContact CA-OE1 3.49Å; T1466-E1523 WeakPolarHBondContact CB-OE1 3.47Å; T1466-E1523 PolarHBondContact N-OE1 3.42Å; T1466-E1523 VanDerWaalsContact N-OE1 3.11Å; T1467-E1523 PolarHBondContact N-OE1 2.98Å; F1468-E1523 HydrophobicContact CD2-CG 4.14Å; F1468-E1523 WeakPolarHBondContact CD2-OE1 3.13Å; F1468-E1523 HydrophobicContact CE2-CG 3.91Å; F1468-E1523 VanDerWaalsContact CE2-OE1 3.26Å; F1468-E1523 WeakPolarHBondContact CE2-OE1 3Å; E1523-T1525 VanDerWaalsContact C-N 3.3Å; E1523-T1525 PolarHBondContact O-N 2.97Å; E1523-K1541 CarbonylContact C-O 3.59Å; E1523-K1541 CarbonylContact O-C 3.12Å; E1523-T1542 HydrophobicContact CB-CG2 3.96Å; E1523-T1542 HydrophobicContact CG-CG2 4.09Å; E1523-T1542 PolarHBondContact O-OG1 3.13Å; E1523-T1542 WeakPolarHBondContact OE2-CA 3.48Å; E1523-T1543 PolarHBondContact OE2-N 2.73Å; E1523-F1544 HydrophobicContact CG-CE2 4.1Å; E1523-F1544 HydrophobicContact CG-CZ 3.9Å; E1523-N1600 PolarHBondContact O-ND2 2.68Å
1524	N	28.2	Very low	30.1	Very low	94.4 Å²	94.4	96.1 Å²	96.1	51%	0.505	53%	0.53	S	S	.	.			trans	-97.7	112.3	-179.7	-79.5	-36.7	0	0	0	114.2	E1337 V1446 E1447 N1448 S1450 T1451 P1464 V1522 P1540 K1541 N1600	E1337-N1524 PolarHBondContact OE2-ND2 3.17Å; V1446-N1524 HydrophobicContact CG1-CB 4.41Å; E1447-N1524 WeakPolarHBondContact O-CB 3.29Å; E1447-N1524 PolarHBondContact O-N 2.95Å; N1448-N1524 PolarHBondContact OD1-ND2 3.49Å; S1450-N1524 WeakPolarHBondContact O-CB 3.34Å; T1451-N1524 PolarHBondContact N-ND2 3.22Å; T1451-N1524 VanDerWaalsContact N-ND2 3.16Å; T1451-N1524 PolarHBondContact O-ND2 2.82Å; P1464-N1524 CarbonylContact O-C 3.14Å; V1522-N1524 HydrophobicContact CG1-CB 4.12Å; N1524-P1540 VanDerWaalsContact C-CA 3.46Å; N1524-P1540 HydrophobicContact CB-CB 3.72Å; N1524-P1540 WeakPolarHBondContact OD1-CB 3.36Å; N1524-K1541 CarbonylContact C-O 3.42Å; N1524-K1541 WeakPolarHBondContact CA-O 3.07Å; N1524-K1541 PolarHBondContact N-O 2.95Å; N1524-N1600 PolarHBondContact OD1-ND2 2.69Å; N1524-N1600 VanDerWaalsContact OD1-ND2 3.12Å
1525	T	26.3	Very low	29.7	Very low	103.4 Å²	103.4	94.5 Å²	94.5	63%	0.634	53%	0.525	S	S	*	.			trans	-140.6	138.8	140.3	-57.5	0	0	0	0	109.5	L1463 P1464 K1465 E1523 V1538 L1539 P1540 K1541 N1600	L1463-T1525 VanDerWaalsContact C-CG2 3.46Å; L1463-T1525 HydrophobicContact CB-CG2 3.8Å; L1463-T1525 HydrophobicContact CG-CG2 4.39Å; P1464-T1525 WeakPolarHBondContact CD-OG1 3.47Å; P1464-T1525 VanDerWaalsContact N-OG1 3.14Å; P1464-T1525 WeakPolarHBondContact O-CA 3.33Å; P1464-T1525 WeakPolarHBondContact O-CB 3.47Å; P1464-T1525 PolarHBondContact O-N 2.87Å; P1464-T1525 PolarHBondContact O-OG1 2.97Å; P1464-T1525 VanDerWaalsContact O-OG1 3.11Å; K1465-T1525 WeakPolarHBondContact CB-O 3.36Å; K1465-T1525 WeakPolarHBondContact CG-O 3.19Å; E1523-T1525 VanDerWaalsContact C-N 3.3Å; E1523-T1525 PolarHBondContact O-N 2.97Å; T1525-V1538 HydrophobicContact CG2-CB 3.81Å; T1525-V1538 HydrophobicContact CG2-CG1 3.52Å; T1525-L1539 CarbonylContact C-O 3.48Å; T1525-L1539 WeakPolarHBondContact CA-O 3.33Å; T1525-L1539 VanDerWaalsContact CG2-O 3.29Å; T1525-L1539 WeakPolarHBondContact CG2-O 3.29Å; T1525-P1540 VanDerWaalsContact CA-CA 3.49Å; T1525-K1541 VanDerWaalsContact C-CB 3.47Å; T1525-K1541 PolarHBondContact N-O 3.26Å; T1525-K1541 CarbonylContact O-C 3.26Å; T1525-K1541 WeakPolarHBondContact O-CA 3.21Å; T1525-K1541 WeakPolarHBondContact O-CB 3.44Å; T1525-K1541 PolarHBondContact O-N 2.8Å; T1525-N1600 HydrophobicContact CG2-CB 4.47Å; T1525-N1600 PolarHBondContact O-ND2 2.68Å; T1525-N1600 PolarHBondContact O-OD1 3.35Å
1526	S	27	Very low	29.6	Very low	75.8 Å²	75.8	93 Å²	93	53%	0.53	52%	0.524	S	S	.	.			trans	-89.7	153.7	171.4	166.2	0	0	0	0	111	L1539 N1600 T1601 T1603	S1526-L1539 PolarHBondContact N-O 3.1Å; S1526-N1600 PolarHBondContact O-OD1 3.03Å; S1526-T1601 WeakPolarHBondContact CB-O 3.2Å; S1526-T1603 PolarHBondContact OG-OG1 2.89Å; S1526-T1603 VanDerWaalsContact OG-OG1 3.13Å
1527	T	26.4	Very low	29.3	Very low	93.4 Å²	93.4	94.6 Å²	94.6	57%	0.573	53%	0.528	S	S	*	.			trans	-142.1	133.5	149.1	32.1	0	0	0	0	110.4	V1462 V1568 N1600 T1603	V1462-T1527 HydrophobicContact CG1-CG2 3.87Å; T1527-V1568 HydrophobicContact CG2-CG1 3.96Å; T1527-V1568 HydrophobicContact CG2-CG2 3.76Å; T1527-N1600 PolarHBondContact N-OD1 3.06Å; T1527-T1603 PolarHBondContact O-OG1 2.88Å
1528	Q	25.1	Very low	29.6	Very low	94.8 Å²	94.8	94.9 Å²	94.9	44%	0.443	53%	0.53	S	S	.	.			trans	-103.6	131.7	172.7	-179.4	-176.4	-14.1	0	0	112.7	T1451 T1453 V1462 P1536 V1538 F1569 H1570 T1603	T1451-Q1528 PolarHBondContact OG1-OE1 3.05Å; T1453-Q1528 PolarHBondContact OG1-NE2 3.19Å; V1462-Q1528 HydrophobicContact CG1-CB 4.19Å; V1462-Q1528 WeakPolarHBondContact CG1-O 3.19Å; Q1528-P1536 PolarHBondContact NE2-O 3.3Å; Q1528-P1536 VanDerWaalsContact OE1-C 3.23Å; Q1528-P1536 PolarHBondContact OE1-O 2.74Å; Q1528-V1538 HydrophobicContact CB-CG2 3.71Å; Q1528-F1569 CarbonylContact C-O 3.6Å; Q1528-F1569 WeakPolarHBondContact CA-O 2.9Å; Q1528-H1570 PolarHBondContact N-CE1 3.3Å; Q1528-H1570 PolarHBondContact N-ND1 2.99Å; Q1528-T1603 HydrophobicContact CB-CG2 4.3Å; Q1528-T1603 HydrophobicContact CG-CG2 4.49Å
1529	T	28.4	Very low	30	Very low	93.8 Å²	93.8	93.5 Å²	93.5	58%	0.575	52%	0.524	S	S	*	.			trans	-146.1	151.1	166	-41.6	0	0	0	0	110.4	Q1452 F1569 H1570 T1571 V1572	Q1452-T1529 HydrophobicContact CG-CG2 4.42Å; T1529-F1569 CarbonylContact C-O 3.24Å; T1529-F1569 PolarHBondContact N-O 2.95Å; T1529-F1569 CarbonylContact O-C 3.58Å; T1529-F1569 VanDerWaalsContact O-C 3.24Å; T1529-H1570 VanDerWaalsContact C-CA 3.5Å; T1529-H1570 PolarHBondContact N-ND1 3.41Å; T1529-H1570 VanDerWaalsContact OG1-CA 3.31Å; T1529-H1570 WeakPolarHBondContact OG1-CA 3.36Å; T1529-H1570 WeakPolarHBondContact OG1-CB 3.21Å; T1529-H1570 PolarHBondContact OG1-CD2 3.44Å; T1529-T1571 WeakPolarHBondContact CG2-O 3.43Å; T1529-V1572 HydrophobicContact CG2-CG2 4.34Å
1530	D	28.8	Very low	30.5	Very low	76 Å²	76	88.9 Å²	88.9	41%	0.406	51%	0.511	S	S	.	.			trans	-98.5	150.9	-175.2	-99.5	-34.7	0	0	0	111.6	Q1452 D1454 Q1458 V1459 P1460 M1532 A1533 T1571	Q1452-D1530 VanDerWaalsContact NE2-N 3.2Å; Q1452-D1530 PolarHBondContact NE2-O 2.86Å; D1454-D1530 WeakPolarHBondContact OD1-CB 2.85Å; Q1458-D1530 VanDerWaalsContact C-OD2 3.26Å; Q1458-D1530 VanDerWaalsContact CA-OD2 3.26Å; Q1458-D1530 WeakPolarHBondContact CA-OD2 3.34Å; Q1458-D1530 PolarHBondContact N-OD2 2.75Å; V1459-D1530 PolarHBondContact N-OD2 3.36Å; P1460-D1530 HydrophobicContact CG-CB 3.6Å; D1530-M1532 PolarHBondContact O-N 2.83Å; D1530-M1532 PolarHBondContact OD1-N 3.2Å; D1530-A1533 PolarHBondContact OD1-N 3.42Å; D1530-T1571 WeakPolarHBondContact O-CB 3.37Å
1531	P	31.6	Very low	31.4	Very low	86.6 Å²	86.6	87.4 Å²	87.4	56%	0.562	50%	0.503	S	S	*	.			trans	-107	130.5	162.8	34.6	-27.3	0	0	0	114.3	D1454 P1455 A1533 T1571 M1608	D1454-P1531 VanDerWaalsContact CG-CD 3.48Å; D1454-P1531 WeakPolarHBondContact OD1-CD 3.49Å; D1454-P1531 VanDerWaalsContact OD1-N 3.16Å; P1455-P1531 HydrophobicContact CB-CG 4.18Å; P1455-P1531 HydrophobicContact CG-CG 3.59Å; P1531-A1533 PolarHBondContact O-N 2.93Å; P1531-T1571 WeakPolarHBondContact CA-OG1 3.32Å; P1531-M1608 HydrophobicContact CG-CE 3.85Å
1532	M	30.4	Very low	32.7	Very low	141.2 Å²	141.2	85.1 Å²	85.1	70%	0.696	49%	0.486	S	S	*	.			trans	-106	102.5	173.2	-87.2	177.1	63.4	0	0	112.9	P1455 D1530 Q1534 T1605	P1455-M1532 HydrophobicContact CB-CE 4.23Å; P1455-M1532 HydrophobicContact CB-SD 3.85Å; P1455-M1532 HydrophobicContact CG-CE 4.49Å; P1455-M1532 HydrophobicContact CG-SD 3.8Å; D1530-M1532 PolarHBondContact O-N 2.83Å; D1530-M1532 PolarHBondContact OD1-N 3.2Å; M1532-Q1534 VanDerWaalsContact C-N 3.27Å; M1532-Q1534 HydrophobicContact CE-CB 4.35Å; M1532-Q1534 WeakPolarHBondContact CE-O 3.46Å; M1532-Q1534 PolarHBondContact O-N 2.96Å; M1532-Q1534 PolarHBondContact O-NE2 3.06Å; M1532-T1605 HydrophobicContact SD-CG2 3.64Å; M1532-T1605 PolarHBondContact SD-OG1 2.93Å
1533	A	29.9	Very low	34.1	Very low	72.8 Å²	72.8	82.8 Å²	82.8	60%	0.602	47%	0.472	S	S	*	.			trans	-40.5	126.7	174.7	0	0	0	0	0	115.2	Q1458 D1530 P1531	Q1458-A1533 HydrophobicContact CB-CB 4.39Å; D1530-A1533 PolarHBondContact OD1-N 3.42Å; P1531-A1533 PolarHBondContact O-N 2.93Å
1534	Q	28.7	Very low	36.1	Very low	153.8 Å²	153.8	78.8 Å²	78.8	72%	0.719	45%	0.453	S	S	*	.			trans	-138.7	134.7	160.3	-78.6	149.7	59.4	0	0	111.1	M1532 P1536 V1611	M1532-Q1534 VanDerWaalsContact C-N 3.27Å; M1532-Q1534 HydrophobicContact CE-CB 4.35Å; M1532-Q1534 WeakPolarHBondContact CE-O 3.46Å; M1532-Q1534 PolarHBondContact O-N 2.96Å; M1532-Q1534 PolarHBondContact O-NE2 3.06Å; Q1534-P1536 WeakPolarHBondContact O-CD 3.49Å; Q1534-V1611 HydrophobicContact CG-CG2 4.48Å
1535	V	29.8	Very low	38.2	Very low	74.6 Å²	74.6	77.2 Å²	77.2	45%	0.452	45%	0.445	S	S	.	.			trans	-109.7	128	-175.2	-179.8	0	0	0	0	111.3	Q1458 P1460 T1537	Q1458-V1535 HydrophobicContact CB-CG2 3.91Å; P1460-V1535 HydrophobicContact CB-CG1 4.13Å; P1460-V1535 HydrophobicContact CG-CG1 4Å; V1535-T1537 PolarHBondContact O-N 2.96Å; V1535-T1537 VanDerWaalsContact O-N 3.15Å
1536	P	30.2	Very low	40.3	Very low	74.2 Å²	74.2	74.3 Å²	74.3	48%	0.482	43%	0.427	S	S	.	.			trans	-73.9	132.3	168.1	-12.4	27.2	0	0	0	112.2	Q1528 Q1534 V1538 Q1604 V1611 P1612 V1614	Q1528-P1536 PolarHBondContact NE2-O 3.3Å; Q1528-P1536 VanDerWaalsContact OE1-C 3.23Å; Q1528-P1536 PolarHBondContact OE1-O 2.74Å; Q1534-P1536 WeakPolarHBondContact O-CD 3.49Å; P1536-V1538 PolarHBondContact O-N 2.95Å; P1536-Q1604 WeakPolarHBondContact CG-O 3.36Å; P1536-V1611 HydrophobicContact CB-CG1 4.24Å; P1536-V1611 HydrophobicContact CG-CG1 4.28Å; P1536-P1612 WeakPolarHBondContact CA-O 3.12Å; P1536-V1614 HydrophobicContact CB-CG2 3.91Å
1537	T	28.8	Very low	42.4	Very low	88.2 Å²	88.2	71.7 Å²	71.7	54%	0.541	41%	0.407	S	S	.	.			trans	-91	117.4	169.6	-56	0	0	0	0	110.1	L1463 V1535 L1539 V1614	L1463-T1537 HydrophobicContact CD1-CG2 3.97Å; V1535-T1537 PolarHBondContact O-N 2.96Å; V1535-T1537 VanDerWaalsContact O-N 3.15Å; T1537-L1539 HydrophobicContact CG2-CD2 4.1Å; T1537-L1539 HydrophobicContact CG2-CG 4.43Å; T1537-L1539 PolarHBondContact O-N 3.05Å; T1537-L1539 VanDerWaalsContact O-N 3.12Å; T1537-V1614 PolarHBondContact O-N 2.78Å
1538	V	37.5	Very low	44.4	Very low	75.6 Å²	75.6	69.2 Å²	69.2	46%	0.458	39%	0.392	S	S	.	.			trans	-84.7	116.6	178	-170.7	0	0	0	0	109.9	L1463 T1525 Q1528 P1536 T1601	L1463-V1538 HydrophobicContact CD1-CB 4.06Å; L1463-V1538 VanDerWaalsContact CD1-O 3.31Å; L1463-V1538 WeakPolarHBondContact CD1-O 3.01Å; L1463-V1538 HydrophobicContact CG-CB 4.06Å; L1463-V1538 HydrophobicContact CG-CG2 4.1Å; T1525-V1538 HydrophobicContact CG2-CB 3.81Å; T1525-V1538 HydrophobicContact CG2-CG1 3.52Å; Q1528-V1538 HydrophobicContact CB-CG2 3.71Å; P1536-V1538 PolarHBondContact O-N 2.95Å; V1538-T1601 HydrophobicContact CG1-CG2 4.27Å
1539	L	41.5	Very low	46.4	Very low	56.4 Å²	56.4	67.1 Å²	67.1	30%	0.295	38%	0.382	S	S	.	.			trans	-79.3	157.3	175.3	-76.6	139.1	0	0	0	111.7	L1463 T1525 S1526 T1537 K1541 T1601 T1613 V1614 L1615 P1616	L1463-L1539 HydrophobicContact CD1-CG 4.35Å; T1525-L1539 CarbonylContact C-O 3.48Å; T1525-L1539 WeakPolarHBondContact CA-O 3.33Å; T1525-L1539 VanDerWaalsContact CG2-O 3.29Å; T1525-L1539 WeakPolarHBondContact CG2-O 3.29Å; S1526-L1539 PolarHBondContact N-O 3.1Å; T1537-L1539 HydrophobicContact CG2-CD2 4.1Å; T1537-L1539 HydrophobicContact CG2-CG 4.43Å; T1537-L1539 PolarHBondContact O-N 3.05Å; T1537-L1539 VanDerWaalsContact O-N 3.12Å; L1539-K1541 PolarHBondContact O-N 2.97Å; L1539-T1601 HydrophobicContact CB-CG2 4.22Å; L1539-T1601 WeakPolarHBondContact CB-OG1 3.44Å; L1539-T1601 WeakPolarHBondContact O-CB 3.47Å; L1539-T1601 VanDerWaalsContact O-CG2 3.25Å; L1539-T1601 WeakPolarHBondContact O-CG2 3.27Å; L1539-T1601 PolarHBondContact O-OG1 3.44Å; L1539-T1601 VanDerWaalsContact O-OG1 3.09Å; L1539-T1613 HydrophobicContact CD1-CG2 4.15Å; L1539-V1614 VanDerWaalsContact CD1-O 3.22Å; L1539-V1614 WeakPolarHBondContact CD1-O 3.28Å; L1539-V1614 WeakPolarHBondContact CG-O 3.42Å; L1539-L1615 HydrophobicContact CD1-CD1 4.27Å; L1539-L1615 HydrophobicContact CD1-CD2 4.06Å; L1539-L1615 HydrophobicContact CD1-CG 4.23Å; L1539-P1616 HydrophobicContact CB-CB 4.26Å; L1539-P1616 HydrophobicContact CB-CG 3.88Å
1540	P	41.3	Very low	48.1	Very low	38.4 Å²	38.4	64.5 Å²	64.5	25%	0.249	37%	0.368	C	S	.	.			trans	-60.2	138.5	-176.5	13.4	-20.2	0	0	0	113.5	E1413 L1463 P1464 N1524 T1525 T1542 N1600 T1601 P1616	E1413-P1540 VanDerWaalsContact OE1-CG 3.26Å; E1413-P1540 WeakPolarHBondContact OE1-CG 3.47Å; L1463-P1540 HydrophobicContact CB-CB 4Å; L1463-P1540 HydrophobicContact CB-CG 4.09Å; L1463-P1540 HydrophobicContact CD1-CG 4.13Å; P1464-P1540 VanDerWaalsContact O-CB 3.27Å; P1464-P1540 WeakPolarHBondContact O-CB 3.39Å; N1524-P1540 VanDerWaalsContact C-CA 3.46Å; N1524-P1540 HydrophobicContact CB-CB 3.72Å; N1524-P1540 WeakPolarHBondContact OD1-CB 3.36Å; T1525-P1540 VanDerWaalsContact CA-CA 3.49Å; P1540-T1542 PolarHBondContact O-N 2.89Å; P1540-N1600 HydrophobicContact CB-CB 3.96Å; P1540-N1600 CarbonylContact O-C 3.19Å; P1540-N1600 VanDerWaalsContact O-CA 3.27Å; P1540-N1600 WeakPolarHBondContact O-CA 3.3Å; P1540-N1600 WeakPolarHBondContact O-CB 3.43Å; P1540-T1601 WeakPolarHBondContact O-CA 3.28Å; P1540-T1601 WeakPolarHBondContact O-CB 3.29Å; P1540-T1601 PolarHBondContact O-N 3.45Å; P1540-T1601 PolarHBondContact O-OG1 3.26Å; P1540-P1616 WeakPolarHBondContact O-CB 3.45Å
1541	K	49.7	Very low	49.8	Very low	70.8 Å²	70.8	61.7 Å²	61.7	31%	0.308	36%	0.357	S	S	.	.			trans	-113.4	119.1	173.7	-154.9	-162.5	-175.5	-173.8	0	111.4	K1465 E1523 N1524 T1525 L1539 T1543 T1601 K1617 T1618 T1619	K1465-K1541 WeakPolarHBondContact CE-O 3.38Å; K1465-K1541 HydrophobicContact CG-CB 4.23Å; K1465-K1541 WeakPolarHBondContact CG-O 3.27Å; E1523-K1541 CarbonylContact C-O 3.59Å; E1523-K1541 CarbonylContact O-C 3.12Å; N1524-K1541 CarbonylContact C-O 3.42Å; N1524-K1541 WeakPolarHBondContact CA-O 3.07Å; N1524-K1541 PolarHBondContact N-O 2.95Å; T1525-K1541 VanDerWaalsContact C-CB 3.47Å; T1525-K1541 PolarHBondContact N-O 3.26Å; T1525-K1541 CarbonylContact O-C 3.26Å; T1525-K1541 WeakPolarHBondContact O-CA 3.21Å; T1525-K1541 WeakPolarHBondContact O-CB 3.44Å; T1525-K1541 PolarHBondContact O-N 2.8Å; L1539-K1541 PolarHBondContact O-N 2.97Å; K1541-T1543 HydrophobicContact CD-CG2 4.01Å; K1541-T1543 HydrophobicContact CG-CG2 4.26Å; K1541-T1543 PolarHBondContact O-N 3.15Å; K1541-T1601 WeakPolarHBondContact CB-O 3.43Å; K1541-T1601 WeakPolarHBondContact CD-O 3.49Å; K1541-T1601 WeakPolarHBondContact CE-O 3.48Å; K1541-T1601 VanDerWaalsContact CG-N 3.29Å; K1541-T1601 WeakPolarHBondContact CG-O 3.13Å; K1541-K1617 WeakPolarHBondContact CD-O 3.48Å; K1541-K1617 WeakPolarHBondContact CE-O 3.34Å; K1541-K1617 VanDerWaalsContact CG-O 3.29Å; K1541-K1617 WeakPolarHBondContact CG-O 3.33Å; K1541-T1618 WeakPolarHBondContact CE-O 3.03Å; K1541-T1619 VanDerWaalsContact CE-OG1 3.26Å; K1541-T1619 WeakPolarHBondContact CE-OG1 3.42Å; K1541-T1619 PolarHBondContact NZ-OG1 2.88Å
1542	T	59	Low	51.3	Low	27.2 Å²	27.2	59.7 Å²	59.7	17%	0.167	34%	0.343	C	S	.	.			trans	-94.2	141.5	175.6	-50.6	0	0	0	0	110.9	K1465 F1468 E1523 P1540 F1544 E1599 T1619	K1465-T1542 WeakPolarHBondContact CE-O 3.23Å; F1468-T1542 HydrophobicContact CD2-CG2 4.28Å; F1468-T1542 HydrophobicContact CE2-CG2 4.19Å; E1523-T1542 HydrophobicContact CB-CG2 3.96Å; E1523-T1542 HydrophobicContact CG-CG2 4.09Å; E1523-T1542 PolarHBondContact O-OG1 3.13Å; E1523-T1542 WeakPolarHBondContact OE2-CA 3.48Å; P1540-T1542 PolarHBondContact O-N 2.89Å; T1542-F1544 HydrophobicContact CG2-CD2 4.07Å; T1542-F1544 HydrophobicContact CG2-CE1 4.46Å; T1542-F1544 HydrophobicContact CG2-CE2 3.46Å; T1542-F1544 VanDerWaalsContact CG2-CE2 3.45Å; T1542-F1544 HydrophobicContact CG2-CZ 3.72Å; T1542-E1599 VanDerWaalsContact CB-CG 3.45Å; T1542-E1599 VanDerWaalsContact CG2-CD 3.44Å; T1542-E1599 HydrophobicContact CG2-CG 3.67Å; T1542-E1599 WeakPolarHBondContact CG2-OE2 3.36Å; T1542-E1599 WeakPolarHBondContact OG1-CG 3.3Å; T1542-T1619 PolarHBondContact O-OG1 3.28Å
1543	T	59.7	Low	52.7	Low	21 Å²	21	54.2 Å²	54.2	13%	0.129	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	138.4	169.7	58.4	0	0	0	0	110.6	K1465 T1466 T1467 F1468 E1523 K1541 D1545 T1619	K1465-T1543 PolarHBondContact NZ-OG1 3.11Å; T1466-T1543 PolarHBondContact O-N 2.94Å; T1467-T1543 WeakPolarHBondContact CA-OG1 3.09Å; T1467-T1543 WeakPolarHBondContact CG2-OG1 3.43Å; T1467-T1543 PolarHBondContact OG1-OG1 2.94Å; F1468-T1543 PolarHBondContact N-O 3.16Å; F1468-T1543 VanDerWaalsContact N-O 3.08Å; E1523-T1543 PolarHBondContact OE2-N 2.73Å; K1541-T1543 HydrophobicContact CD-CG2 4.01Å; K1541-T1543 HydrophobicContact CG-CG2 4.26Å; K1541-T1543 PolarHBondContact O-N 3.15Å; T1543-D1545 WeakPolarHBondContact CB-OD1 3.36Å; T1543-D1545 PolarHBondContact OG1-OD1 2.85Å; T1543-T1619 WeakPolarHBondContact CA-O 3.15Å; T1543-T1619 WeakPolarHBondContact CB-O 3.25Å; T1543-T1619 WeakPolarHBondContact CG2-O 3.11Å; T1543-T1619 WeakPolarHBondContact CG2-OG1 3.42Å
1544	F	68.8	Low	54.3	Low	42.8 Å²	42.8	53.7 Å²	53.7	19%	0.188	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	117.6	172.5	-63.1	-87.7	0	0	0	109.3	F1468 V1471 S1521 V1522 E1523 T1542 V1546 V1547 T1618 T1619 F1620 D1621	F1468-F1544 HydrophobicContact CB-CD1 3.77Å; F1468-F1544 HydrophobicContact CB-CE1 4.15Å; F1468-F1544 AromaticContact CD2-CD1 3.69Å; F1468-F1544 HydrophobicContact CD2-CD1 3.76Å; F1468-F1544 AromaticContact CD2-CE1 3.31Å; F1468-F1544 HydrophobicContact CD2-CE1 3.31Å; F1468-F1544 VanDerWaalsContact CD2-CE1 3.45Å; F1468-F1544 HydrophobicContact CD2-CG 4.47Å; F1468-F1544 AromaticContact CD2-CZ 3.93Å; F1468-F1544 HydrophobicContact CD2-CZ 3.94Å; F1468-F1544 HydrophobicContact CE2-CD1 4.44Å; F1468-F1544 AromaticContact CE2-CE1 3.75Å; F1468-F1544 HydrophobicContact CE2-CE1 3.85Å; F1468-F1544 AromaticContact CE2-CZ 3.94Å; F1468-F1544 HydrophobicContact CE2-CZ 4.09Å; F1468-F1544 AromaticContact CG-CD1 3.95Å; F1468-F1544 HydrophobicContact CG-CD1 4.03Å; F1468-F1544 AromaticContact CG-CE1 3.83Å; F1468-F1544 HydrophobicContact CG-CE1 3.88Å; F1468-F1544 HydrophobicContact CZ-CE1 4.43Å; F1468-F1544 VanDerWaalsContact O-CA 3.26Å; F1468-F1544 WeakPolarHBondContact O-CA 3.25Å; V1471-F1544 HydrophobicContact CB-CD1 4.07Å; V1471-F1544 HydrophobicContact CG2-CD1 3.73Å; V1471-F1544 HydrophobicContact CG2-CE1 4.01Å; S1521-F1544 WeakPolarHBondContact OG-CD2 3.44Å; V1522-F1544 VanDerWaalsContact C-CE2 3.46Å; V1522-F1544 WeakPolarHBondContact O-CZ 3.1Å; E1523-F1544 HydrophobicContact CG-CE2 4.1Å; E1523-F1544 HydrophobicContact CG-CZ 3.9Å; T1542-F1544 HydrophobicContact CG2-CD2 4.07Å; T1542-F1544 HydrophobicContact CG2-CE1 4.46Å; T1542-F1544 HydrophobicContact CG2-CE2 3.46Å; T1542-F1544 VanDerWaalsContact CG2-CE2 3.45Å; T1542-F1544 HydrophobicContact CG2-CZ 3.72Å; F1544-V1546 CarbonylContact O-C 3.6Å; F1544-V1546 VanDerWaalsContact O-C 3.25Å; F1544-V1546 PolarHBondContact O-N 2.58Å; F1544-V1547 HydrophobicContact CB-CG2 3.85Å; F1544-V1547 HydrophobicContact CD1-CG2 4.19Å; F1544-V1547 HydrophobicContact CG-CG2 4.13Å; F1544-V1547 WeakPolarHBondContact O-CA 3.19Å; F1544-V1547 WeakPolarHBondContact O-CG2 3.21Å; F1544-V1547 PolarHBondContact O-N 2.8Å; F1544-V1547 VanDerWaalsContact O-N 3.13Å; F1544-T1618 HydrophobicContact CD2-CG2 4.26Å; F1544-T1618 HydrophobicContact CE2-CG2 4.23Å; F1544-T1619 PolarHBondContact N-O 2.95Å; F1544-T1619 VanDerWaalsContact N-O 3.1Å; F1544-F1620 HydrophobicContact CB-CD1 3.81Å; F1544-F1620 HydrophobicContact CB-CE1 4.24Å; F1544-F1620 AromaticContact CD2-CD1 3.72Å; F1544-F1620 HydrophobicContact CD2-CD1 3.72Å; F1544-F1620 AromaticContact CD2-CE1 3.31Å; F1544-F1620 HydrophobicContact CD2-CE1 3.31Å; F1544-F1620 AromaticContact CD2-CZ 3.97Å; F1544-F1620 HydrophobicContact CD2-CZ 4.02Å; F1544-F1620 HydrophobicContact CE2-CD1 4.47Å; F1544-F1620 AromaticContact CE2-CE1 3.77Å; F1544-F1620 HydrophobicContact CE2-CE1 3.77Å; F1544-F1620 HydrophobicContact CE2-CZ 4.19Å; F1544-F1620 AromaticContact CG-CD1 3.97Å; F1544-F1620 HydrophobicContact CG-CD1 4Å; F1544-F1620 AromaticContact CG-CE1 3.9Å; F1544-F1620 HydrophobicContact CG-CE1 3.9Å; F1544-F1620 VanDerWaalsContact O-CA 3.28Å; F1544-F1620 WeakPolarHBondContact O-CA 3.39Å; F1544-D1621 PolarHBondContact O-N 3.43Å; F1544-D1621 VanDerWaalsContact O-N 3.11Å
1545	D	73.2	Confident	55.7	Low	61.4 Å²	61.4	47 Å²	47	33%	0.328	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	6.3	-179.5	-91	-12.2	0	0	0	109.9	F1468 D1469 V1470 T1543 D1621 V1622	F1468-D1545 PolarHBondContact N-OD1 2.91Å; F1468-D1545 PolarHBondContact N-OD2 2.86Å; F1468-D1545 PolarHBondContact O-N 3.04Å; F1468-D1545 VanDerWaalsContact O-N 3.1Å; D1469-D1545 PolarHBondContact N-OD2 2.86Å; D1469-D1545 VanDerWaalsContact N-OD2 3.12Å; D1469-D1545 CarbonylContact O-C 3.58Å; D1469-D1545 WeakPolarHBondContact O-CB 3.25Å; V1470-D1545 PolarHBondContact N-O 3.1Å; T1543-D1545 WeakPolarHBondContact CB-OD1 3.36Å; T1543-D1545 PolarHBondContact OG1-OD1 2.85Å; D1545-D1621 VanDerWaalsContact O-CB 3.31Å; D1545-D1621 WeakPolarHBondContact O-CB 3.18Å; D1545-D1621 PolarHBondContact O-N 3.38Å; D1545-V1622 PolarHBondContact O-N 3.02Å
1546	V	69.5	Low	56.7	Low	41.8 Å²	41.8	45.2 Å²	45.2	25%	0.253	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	114.9	174.5	179.7	0	0	0	0	110.6	D1469 V1470 V1471 F1544 T1548 D1621 V1622 V1623	D1469-V1546 PolarHBondContact O-N 3.12Å; V1470-V1546 CarbonylContact C-O 3.58Å; V1470-V1546 WeakPolarHBondContact CA-O 3.16Å; V1470-V1546 HydrophobicContact CB-CG2 4.47Å; V1470-V1546 HydrophobicContact CG1-CB 4.45Å; V1470-V1546 HydrophobicContact CG2-CB 4.39Å; V1470-V1546 WeakPolarHBondContact O-CA 3.39Å; V1471-V1546 PolarHBondContact N-O 3.01Å; F1544-V1546 CarbonylContact O-C 3.6Å; F1544-V1546 VanDerWaalsContact O-C 3.25Å; F1544-V1546 PolarHBondContact O-N 2.58Å; V1546-T1548 WeakPolarHBondContact CG1-OG1 3.1Å; V1546-D1621 WeakPolarHBondContact CA-OD1 3.06Å; V1546-D1621 PolarHBondContact N-O 3.02Å; V1546-D1621 VanDerWaalsContact N-O 3.08Å; V1546-V1622 WeakPolarHBondContact CA-O 3.09Å; V1546-V1622 HydrophobicContact CB-CG2 4.48Å; V1546-V1622 HydrophobicContact CG1-CB 4.4Å; V1546-V1622 HydrophobicContact CG2-CB 4.37Å; V1546-V1622 WeakPolarHBondContact O-CA 3.37Å; V1546-V1623 PolarHBondContact O-N 2.94Å
1547	V	71.8	Confident	57.7	Low	20.4 Å²	20.4	45.7 Å²	45.7	12%	0.124	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	112.2	178.8	171.4	0	0	0	0	110.2	V1470 V1471 T1472 Q1473 F1544 Q1549 R1595 F1620 D1621 V1622 V1623 T1624	V1470-V1547 PolarHBondContact O-N 3.03Å; V1471-V1547 WeakPolarHBondContact CA-O 3.49Å; V1471-V1547 CarbonylContact O-C 3.57Å; V1471-V1547 WeakPolarHBondContact O-CA 3.2Å; T1472-V1547 PolarHBondContact N-O 3.02Å; Q1473-V1547 WeakPolarHBondContact CG-O 3.24Å; F1544-V1547 HydrophobicContact CB-CG2 3.85Å; F1544-V1547 HydrophobicContact CD1-CG2 4.19Å; F1544-V1547 HydrophobicContact CG-CG2 4.13Å; F1544-V1547 WeakPolarHBondContact O-CA 3.19Å; F1544-V1547 WeakPolarHBondContact O-CG2 3.21Å; F1544-V1547 PolarHBondContact O-N 2.8Å; F1544-V1547 VanDerWaalsContact O-N 3.13Å; V1547-Q1549 HydrophobicContact CG1-CG 4.35Å; V1547-R1595 HydrophobicContact CG1-CG 4.42Å; V1547-R1595 PolarHBondContact O-NH2 2.63Å; V1547-F1620 HydrophobicContact CG2-CB 4.23Å; V1547-F1620 HydrophobicContact CG2-CD1 3.77Å; V1547-F1620 HydrophobicContact CG2-CE1 4.04Å; V1547-D1621 HydrophobicContact CB-CB 3.78Å; V1547-D1621 WeakPolarHBondContact CG1-O 2.93Å; V1547-D1621 HydrophobicContact CG2-CB 4.25Å; V1547-D1621 PolarHBondContact N-OD1 2.78Å; V1547-V1622 WeakPolarHBondContact CG1-O 3.02Å; V1547-V1622 PolarHBondContact N-O 3.45Å; V1547-V1623 HydrophobicContact CB-CG2 4.48Å; V1547-V1623 HydrophobicContact CG1-CG2 4.33Å; V1547-V1623 WeakPolarHBondContact O-CA 3.41Å; V1547-T1624 PolarHBondContact O-N 3.39Å
1548	T	69.2	Low	58.6	Low	40.8 Å²	40.8	42.7 Å²	42.7	25%	0.25	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	130.2	178.4	-55.9	0	0	0	0	112	V1471 T1472 Q1473 V1546 R1595 V1623 T1624 Q1625	V1471-T1548 PolarHBondContact O-N 2.81Å; V1471-T1548 PolarHBondContact O-OG1 2.79Å; V1471-T1548 VanDerWaalsContact O-OG1 3.12Å; T1472-T1548 CarbonylContact C-O 3.26Å; T1472-T1548 WeakPolarHBondContact CA-O 3.4Å; T1472-T1548 WeakPolarHBondContact O-CA 3.34Å; Q1473-T1548 HydrophobicContact CB-CG2 3.95Å; Q1473-T1548 WeakPolarHBondContact CG-O 3.19Å; Q1473-T1548 PolarHBondContact N-O 3.24Å; V1546-T1548 WeakPolarHBondContact CG1-OG1 3.1Å; T1548-R1595 VanDerWaalsContact O-CG 3.3Å; T1548-R1595 WeakPolarHBondContact O-CG 2.91Å; T1548-R1595 PolarHBondContact O-NE 2.87Å; T1548-R1595 VanDerWaalsContact O-NE 3.12Å; T1548-V1623 PolarHBondContact N-O 2.78Å; T1548-T1624 CarbonylContact C-O 3.58Å; T1548-T1624 WeakPolarHBondContact CA-O 3.17Å; T1548-T1624 WeakPolarHBondContact O-CA 3.1Å; T1548-Q1625 PolarHBondContact O-N 2.88Å
1549	Q	66.5	Low	59.1	Low	51.4 Å²	51.4	42 Å²	42	24%	0.24	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	137.5	179.8	-57.6	-166	-6.9	0	0	111.3	T1472 Q1473 S1474 V1547 T1593 V1622 T1624 Q1625 S1626	T1472-Q1549 PolarHBondContact O-N 2.96Å; Q1473-Q1549 WeakPolarHBondContact CA-O 3.39Å; Q1473-Q1549 HydrophobicContact CB-CG 4.39Å; Q1473-Q1549 HydrophobicContact CG-CB 4.33Å; S1474-Q1549 PolarHBondContact N-O 2.94Å; V1547-Q1549 HydrophobicContact CG1-CG 4.35Å; Q1549-T1593 HydrophobicContact CB-CG2 3.84Å; Q1549-V1622 PolarHBondContact NE2-O 3.39Å; Q1549-T1624 WeakPolarHBondContact CG-O 3.17Å; Q1549-T1624 PolarHBondContact N-O 3.26Å; Q1549-Q1625 WeakPolarHBondContact CA-O 3.34Å; Q1549-Q1625 HydrophobicContact CG-CB 4.43Å; Q1549-S1626 PolarHBondContact O-N 3.09Å; Q1549-S1626 PolarHBondContact O-OG 3.16Å
1550	S	63.4	Low	59.2	Low	39 Å²	39	41.8 Å²	41.8	27%	0.273	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	129.3	-179.4	61	0	0	0	0	112.6	Q1473 S1474 G1475 T1517 M1594 Q1625 S1626 G1627	Q1473-S1550 WeakPolarHBondContact CB-OG 3.18Å; Q1473-S1550 PolarHBondContact O-N 3.39Å; Q1473-S1550 PolarHBondContact O-OG 3.08Å; S1474-S1550 WeakPolarHBondContact CA-O 3.43Å; S1474-S1550 VanDerWaalsContact CA-OG 3.29Å; S1474-S1550 WeakPolarHBondContact CA-OG 3.31Å; S1474-S1550 WeakPolarHBondContact CB-OG 3.25Å; S1474-S1550 PolarHBondContact N-OG 3.16Å; S1474-S1550 VanDerWaalsContact O-CA 3.3Å; S1474-S1550 WeakPolarHBondContact O-CA 3.37Å; G1475-S1550 PolarHBondContact N-O 3.4Å; T1517-S1550 VanDerWaalsContact CG2-OG 3.25Å; T1517-S1550 WeakPolarHBondContact CG2-OG 3.47Å; S1550-M1594 CarbonylContact C-O 2.77Å; S1550-M1594 VanDerWaalsContact C-O 3.31Å; S1550-M1594 PolarHBondContact N-O 3.18Å; S1550-M1594 VanDerWaalsContact O-O 3.11Å; S1550-Q1625 PolarHBondContact N-O 3.11Å; S1550-Q1625 PolarHBondContact OG-O 2.88Å; S1550-S1626 WeakPolarHBondContact CA-O 3.31Å; S1550-S1626 WeakPolarHBondContact CA-OG 3.36Å; S1550-S1626 WeakPolarHBondContact CB-OG 3.49Å; S1550-S1626 WeakPolarHBondContact O-CA 3.32Å; S1550-S1626 VanDerWaalsContact O-CB 3.28Å; S1550-S1626 WeakPolarHBondContact O-CB 3.37Å; S1550-S1626 PolarHBondContact O-OG 2.94Å; S1550-S1626 WeakPolarHBondContact OG-CA 3.39Å; S1550-S1626 WeakPolarHBondContact OG-CB 3.16Å; S1550-S1626 PolarHBondContact OG-OG 3.09Å; S1550-G1627 PolarHBondContact O-N 3.06Å; S1550-G1627 VanDerWaalsContact O-N 3.16Å
1551	G	65.1	Low	59.1	Low	17.8 Å²	17.8	42.5 Å²	42.5	18%	0.184	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	132.2	179.4	0	0	0	0	0	114.7	S1474 G1475 T1476 T1517 A1592 T1593 S1626 G1627 T1628	S1474-G1551 PolarHBondContact O-N 2.92Å; S1474-G1551 VanDerWaalsContact O-N 3.1Å; G1475-G1551 CarbonylContact C-O 3.56Å; G1475-G1551 WeakPolarHBondContact CA-O 3.48Å; G1475-G1551 CarbonylContact O-C 3.46Å; G1475-G1551 VanDerWaalsContact O-CA 3.28Å; G1475-G1551 WeakPolarHBondContact O-CA 3.32Å; T1476-G1551 PolarHBondContact N-O 3.24Å; T1517-G1551 CarbonylContact O-C 3.49Å; T1517-G1551 VanDerWaalsContact O-C 3.27Å; T1517-G1551 WeakPolarHBondContact O-CA 3.43Å; T1517-G1551 PolarHBondContact O-N 3.12Å; G1551-A1592 CarbonylContact C-O 3.59Å; G1551-A1592 PolarHBondContact N-O 2.87Å; G1551-A1592 CarbonylContact O-C 3.47Å; G1551-A1592 WeakPolarHBondContact O-CB 3.1Å; G1551-T1593 PolarHBondContact O-N 2.73Å; G1551-S1626 PolarHBondContact N-O 3.15Å; G1551-S1626 VanDerWaalsContact N-O 3.08Å; G1551-G1627 WeakPolarHBondContact CA-O 3.32Å; G1551-G1627 CarbonylContact O-C 3.57Å; G1551-G1627 WeakPolarHBondContact O-CA 3.26Å; G1551-T1628 PolarHBondContact O-N 3.26Å
1552	T	63.1	Low	58.6	Low	43.4 Å²	43.4	42.3 Å²	42.3	27%	0.266	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	127.8	172.6	-52.3	0	0	0	0	110.5	G1475 T1476 V1477 L1500 A1516 T1517 H1554 V1590 A1592 G1627 T1628 V1629	G1475-T1552 PolarHBondContact O-N 3Å; T1476-T1552 CarbonylContact C-O 3.59Å; T1476-T1552 WeakPolarHBondContact CA-O 3.33Å; T1476-T1552 WeakPolarHBondContact O-CA 3.31Å; V1477-T1552 PolarHBondContact N-O 3.26Å; L1500-T1552 HydrophobicContact CD1-CG2 3.68Å; A1516-T1552 WeakPolarHBondContact CB-O 3.29Å; T1517-T1552 PolarHBondContact N-O 2.87Å; T1517-T1552 VanDerWaalsContact N-O 3.13Å; T1517-T1552 PolarHBondContact O-N 2.87Å; T1552-H1554 WeakPolarHBondContact CG2-NE2 3.39Å; T1552-V1590 HydrophobicContact CG2-CG1 4.26Å; T1552-A1592 HydrophobicContact CG2-CB 4.24Å; T1552-A1592 WeakPolarHBondContact OG1-CA 3.2Å; T1552-A1592 PolarHBondContact OG1-N 3.43Å; T1552-A1592 PolarHBondContact OG1-O 2.72Å; T1552-A1592 VanDerWaalsContact OG1-O 3.12Å; T1552-G1627 PolarHBondContact N-O 3.29Å; T1552-T1628 CarbonylContact C-O 3.6Å; T1552-T1628 WeakPolarHBondContact CA-O 3.46Å; T1552-T1628 WeakPolarHBondContact O-CA 3.42Å; T1552-V1629 PolarHBondContact O-N 3.26Å
1553	V	59.9	Low	57.5	Low	27.4 Å²	27.4	43.6 Å²	43.6	17%	0.166	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	131.2	174.9	-164.4	0	0	0	0	110	G1423 L1424 T1476 V1477 H1478 S1482 Q1484 L1500 C1555 T1628 V1629 H1630	G1423-V1553 WeakPolarHBondContact O-CB 3.44Å; G1423-V1553 WeakPolarHBondContact O-CG1 3.16Å; G1423-V1553 WeakPolarHBondContact O-CG2 3.23Å; L1424-V1553 HydrophobicContact CB-CB 4.23Å; L1424-V1553 HydrophobicContact CD1-CB 4.49Å; T1476-V1553 PolarHBondContact O-N 2.83Å; V1477-V1553 CarbonylContact C-O 3.56Å; V1477-V1553 WeakPolarHBondContact CA-O 3.49Å; V1477-V1553 HydrophobicContact CB-CG1 4.47Å; V1477-V1553 HydrophobicContact CG2-CB 4.45Å; H1478-V1553 PolarHBondContact N-O 2.93Å; S1482-V1553 WeakPolarHBondContact OG-CG1 3.34Å; Q1484-V1553 HydrophobicContact CB-CG2 3.62Å; Q1484-V1553 HydrophobicContact CG-CB 4.11Å; Q1484-V1553 HydrophobicContact CG-CG1 3.59Å; Q1484-V1553 HydrophobicContact CG-CG2 3.45Å; Q1484-V1553 VanDerWaalsContact CG-CG2 3.45Å; L1500-V1553 HydrophobicContact CB-CG2 3.94Å; L1500-V1553 CarbonylContact O-C 3.52Å; V1553-C1555 HydrophobicContact CG1-CB 4.37Å; V1553-C1555 WeakPolarHBondContact CG1-SG 3.37Å; V1553-C1555 HydrophobicContact CG2-CB 4.46Å; V1553-T1628 PolarHBondContact N-O 3.09Å; V1553-V1629 VanDerWaalsContact CA-O 3.26Å; V1553-V1629 WeakPolarHBondContact CA-O 3.18Å; V1553-V1629 HydrophobicContact CG2-CB 4.47Å; V1553-H1630 VanDerWaalsContact CG1-CD2 3.44Å; V1553-H1630 WeakPolarHBondContact CG1-CD2 2.89Å; V1553-H1630 WeakPolarHBondContact CG1-NE2 3.48Å; V1553-H1630 PolarHBondContact O-N 2.98Å
1554	H	62.7	Low	56.3	Low	60.4 Å²	60.4	46 Å²	46	28%	0.28	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	101.6	176	-163.5	-87.3	0	0	0	111.1	L1424 D1425 V1477 H1478 C1479 L1500 H1502 L1514 T1552 V1629 H1630 C1631	L1424-H1554 HydrophobicContact CD1-CB 3.89Å; L1424-H1554 HydrophobicContact CG-CB 3.86Å; D1425-H1554 WeakPolarHBondContact CB-O 3.48Å; D1425-H1554 PolarHBondContact N-O 2.65Å; V1477-H1554 PolarHBondContact O-N 3.01Å; H1478-H1554 WeakPolarHBondContact CA-O 3.24Å; H1478-H1554 HydrophobicContact CB-CB 3.99Å; H1478-H1554 WeakPolarHBondContact CB-CD2 3.46Å; H1478-H1554 AromaticContact CD2-CD2 3.56Å; H1478-H1554 AromaticContact CD2-CG 3.75Å; H1478-H1554 AromaticContact CD2-ND1 3.25Å; H1478-H1554 PolarHBondContact CD2-ND1 3.09Å; H1478-H1554 AromaticContact CD2-NE2 3.69Å; H1478-H1554 AromaticContact CE1-CD2 3.48Å; H1478-H1554 PolarHBondContact CE1-CD2 2.89Å; H1478-H1554 AromaticContact CE1-CG 3.83Å; H1478-H1554 AromaticContact CE1-NE2 3.55Å; H1478-H1554 PolarHBondContact CE1-NE2 2.84Å; H1478-H1554 AromaticContact CG-CD2 3.48Å; H1478-H1554 AromaticContact CG-CG 3.85Å; H1478-H1554 AromaticContact CG-NE2 3.58Å; H1478-H1554 WeakPolarHBondContact ND1-CB 3.4Å; H1478-H1554 AromaticContact ND1-CD2 3.38Å; H1478-H1554 PolarHBondContact ND1-CD2 2.88Å; H1478-H1554 AromaticContact ND1-CG 3.8Å; H1478-H1554 AromaticContact ND1-NE2 3.25Å; H1478-H1554 PolarHBondContact ND1-NE2 2.9Å; H1478-H1554 VanDerWaalsContact ND1-NE2 3.18Å; H1478-H1554 AromaticContact NE2-CD2 3.89Å; H1478-H1554 AromaticContact NE2-CE1 3.8Å; H1478-H1554 AromaticContact NE2-ND1 3.21Å; H1478-H1554 PolarHBondContact NE2-ND1 3.15Å; H1478-H1554 AromaticContact NE2-NE2 3.52Å; H1478-H1554 WeakPolarHBondContact O-CA 3.47Å; H1478-H1554 PolarHBondContact O-CD2 2.67Å; C1479-H1554 PolarHBondContact N-O 2.83Å; C1479-H1554 VanDerWaalsContact N-O 3.07Å; L1500-H1554 CarbonylContact O-C 3.41Å; L1500-H1554 WeakPolarHBondContact O-CA 3.48Å; L1500-H1554 PolarHBondContact O-N 2.68Å; H1502-H1554 AromaticContact CD2-CE1 3.93Å; H1502-H1554 AromaticContact CD2-NE2 3.55Å; H1502-H1554 AromaticContact CG-NE2 3.94Å; H1502-H1554 PolarHBondContact O-CE1 2.76Å; H1502-H1554 PolarHBondContact O-ND1 3.02Å; L1514-H1554 WeakPolarHBondContact CD2-CD2 3.21Å; L1514-H1554 WeakPolarHBondContact CD2-NE2 3.38Å; T1552-H1554 WeakPolarHBondContact CG2-NE2 3.39Å; H1554-V1629 PolarHBondContact N-O 2.97Å; H1554-V1629 VanDerWaalsContact N-O 3.14Å; H1554-H1630 WeakPolarHBondContact CA-O 3.08Å; H1554-H1630 AromaticContact CE1-CD2 3.27Å; H1554-H1630 PolarHBondContact CE1-CD2 3.2Å; H1554-H1630 AromaticContact CE1-CG 3.81Å; H1554-H1630 AromaticContact CE1-NE2 3.86Å; H1554-H1630 AromaticContact CG-CD2 3.84Å; H1554-H1630 PolarHBondContact N-CD2 2.85Å; H1554-H1630 AromaticContact ND1-CD2 3.45Å; H1554-H1630 PolarHBondContact ND1-CD2 2.97Å; H1554-H1630 VanDerWaalsContact ND1-CD2 3.29Å; H1554-H1630 AromaticContact ND1-CG 3.75Å; H1554-H1630 AromaticContact ND1-NE2 3.17Å; H1554-H1630 PolarHBondContact ND1-NE2 2.98Å; H1554-H1630 VanDerWaalsContact ND1-NE2 3.17Å; H1554-H1630 WeakPolarHBondContact O-CA 3.18Å; H1554-H1630 WeakPolarHBondContact O-CB 3.44Å; H1554-C1631 PolarHBondContact O-N 2.93Å; H1554-C1631 VanDerWaalsContact O-N 3.1Å
1555	C	58.7	Low	54.5	Low	14.8 Å²	14.8	50 Å²	50	10%	0.1	28%	0.28	C	S	.	.			trans	-139.9	156.8	178.7	51.8	0	0	0	0	114	G1423 H1478 C1479 A1480 S1482 L1500 D1501 H1502 V1553 Q1557 S1558 H1630 C1631	G1423-C1555 WeakPolarHBondContact O-CB 3.38Å; H1478-C1555 PolarHBondContact O-N 3.07Å; H1478-C1555 VanDerWaalsContact O-N 3.11Å; C1479-C1555 WeakPolarHBondContact CA-O 3.11Å; C1479-C1555 WeakPolarHBondContact O-CA 3.41Å; C1479-C1555 WeakPolarHBondContact SG-CB 3.36Å; A1480-C1555 PolarHBondContact N-O 3.43Å; S1482-C1555 VanDerWaalsContact O-CB 3.32Å; S1482-C1555 WeakPolarHBondContact O-CB 3.32Å; L1500-C1555 PolarHBondContact O-N 3.22Å; L1500-C1555 PolarHBondContact O-SG 3.2Å; D1501-C1555 CarbonylContact C-O 3.32Å; D1501-C1555 WeakPolarHBondContact CA-O 3.48Å; D1501-C1555 VanDerWaalsContact CB-O 3.31Å; D1501-C1555 WeakPolarHBondContact CB-O 3.04Å; D1501-C1555 WeakPolarHBondContact OD1-CB 3.11Å; D1501-C1555 PolarHBondContact OD1-SG 2.92Å; H1502-C1555 CarbonylContact C-O 3.31Å; H1502-C1555 PolarHBondContact N-O 2.88Å; V1553-C1555 HydrophobicContact CG1-CB 4.37Å; V1553-C1555 WeakPolarHBondContact CG1-SG 3.37Å; V1553-C1555 HydrophobicContact CG2-CB 4.46Å; C1555-Q1557 WeakPolarHBondContact CB-O 3.39Å; C1555-Q1557 PolarHBondContact SG-O 3.22Å; C1555-Q1557 VanDerWaalsContact SG-O 3.37Å; C1555-S1558 VanDerWaalsContact SG-CB 3.57Å; C1555-S1558 WeakPolarHBondContact SG-CB 3.38Å; C1555-H1630 PolarHBondContact N-ND1 2.84Å; C1555-H1630 PolarHBondContact N-O 3Å; C1555-H1630 PolarHBondContact O-CE1 2.87Å; C1555-H1630 PolarHBondContact O-ND1 2.85Å; C1555-H1630 PolarHBondContact SG-O 3.05Å; C1555-C1631 WeakPolarHBondContact O-CA 3.33Å; C1555-C1631 WeakPolarHBondContact SG-CB 3.39Å
1556	A	51.1	Low	52.4	Low	35.4 Å²	35.4	52.2 Å²	52.2	29%	0.293	28%	0.284	S	S	.	.	S	Bend	trans	-108.8	-14.1	170.1	0	0	0	0	0	111.7	D1425 A1480 Q1481 D1501 T1503 C1631 A1632 Q1633	D1425-A1556 HydrophobicContact CB-CB 4.2Å; D1425-A1556 WeakPolarHBondContact OD1-CB 3.31Å; A1480-A1556 VanDerWaalsContact C-CB 3.42Å; A1480-A1556 HydrophobicContact CB-CB 4.28Å; A1480-A1556 VanDerWaalsContact O-CB 3.29Å; A1480-A1556 WeakPolarHBondContact O-CB 3.22Å; A1480-A1556 PolarHBondContact O-N 3.17Å; Q1481-A1556 HydrophobicContact CG-CB 4.1Å; D1501-A1556 PolarHBondContact OD1-N 3.33Å; D1501-A1556 VanDerWaalsContact OD1-N 3.09Å; T1503-A1556 VanDerWaalsContact CB-O 3.28Å; T1503-A1556 WeakPolarHBondContact CB-O 3.13Å; T1503-A1556 WeakPolarHBondContact OG1-CA 3.12Å; T1503-A1556 WeakPolarHBondContact OG1-CB 3.47Å; T1503-A1556 PolarHBondContact OG1-O 3.39Å; A1556-C1631 PolarHBondContact N-O 2.98Å; A1556-A1632 WeakPolarHBondContact O-CA 3.41Å; A1556-A1632 WeakPolarHBondContact O-CB 3.2Å; A1556-A1632 PolarHBondContact O-N 3.42Å; A1556-A1632 VanDerWaalsContact O-N 3.07Å; A1556-Q1633 PolarHBondContact O-N 2.96Å
1557	Q	50.6	Low	50.6	Low	86 Å²	86	54 Å²	54	40%	0.402	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	126.1	178	-75.6	-179.9	-30.7	0	0	112	A1480 Q1481 S1482 D1501 C1555 A1632 Q1633 S1634	A1480-Q1557 PolarHBondContact O-N 2.99Å; Q1481-Q1557 CarbonylContact C-O 3.41Å; Q1481-Q1557 WeakPolarHBondContact CA-O 3.26Å; Q1481-Q1557 HydrophobicContact CB-CB 3.82Å; Q1481-Q1557 HydrophobicContact CG-CB 4.12Å; Q1481-Q1557 VanDerWaalsContact NE2-OE1 3.09Å; Q1481-Q1557 VanDerWaalsContact O-CA 3.23Å; Q1481-Q1557 WeakPolarHBondContact O-CA 3.04Å; Q1481-Q1557 PolarHBondContact O-N 3.14Å; Q1481-Q1557 VanDerWaalsContact OE1-NE2 3.12Å; S1482-Q1557 CarbonylContact C-O 3.17Å; S1482-Q1557 WeakPolarHBondContact CA-O 3.35Å; S1482-Q1557 PolarHBondContact N-O 2.9Å; S1482-Q1557 PolarHBondContact OG-O 3.18Å; D1501-Q1557 VanDerWaalsContact OD1-CA 3.28Å; D1501-Q1557 WeakPolarHBondContact OD1-CA 3.27Å; D1501-Q1557 PolarHBondContact OD1-N 2.83Å; C1555-Q1557 WeakPolarHBondContact CB-O 3.39Å; C1555-Q1557 PolarHBondContact SG-O 3.22Å; C1555-Q1557 VanDerWaalsContact SG-O 3.37Å; Q1557-A1632 PolarHBondContact N-O 2.8Å; Q1557-Q1633 WeakPolarHBondContact CA-O 3.41Å; Q1557-Q1633 HydrophobicContact CB-CG 4.39Å; Q1557-Q1633 HydrophobicContact CG-CB 4.39Å; Q1557-Q1633 WeakPolarHBondContact O-CA 3.21Å; Q1557-S1634 PolarHBondContact O-N 2.77Å
1558	S	48.6	Very low	48.6	Very low	23.8 Å²	23.8	56.7 Å²	56.7	17%	0.166	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	150.7	178.7	65.6	0	0	0	0	113.5	Q1481 S1482 V1483 G1499 D1501 C1555 Q1633 S1634 V1635	Q1481-S1558 PolarHBondContact O-N 3.31Å; Q1481-S1558 VanDerWaalsContact O-N 3.08Å; Q1481-S1558 PolarHBondContact O-OG 2.68Å; S1482-S1558 VanDerWaalsContact CA-O 3.23Å; S1482-S1558 WeakPolarHBondContact CA-O 2.99Å; S1482-S1558 VanDerWaalsContact CB-O 3.27Å; S1482-S1558 WeakPolarHBondContact CB-O 3.3Å; S1482-S1558 WeakPolarHBondContact CB-OG 3.37Å; S1482-S1558 WeakPolarHBondContact OG-CB 3.35Å; V1483-S1558 VanDerWaalsContact CA-OG 3.26Å; V1483-S1558 WeakPolarHBondContact CA-OG 3.39Å; V1483-S1558 PolarHBondContact N-O 2.9Å; G1499-S1558 WeakPolarHBondContact CA-OG 3.22Å; D1501-S1558 WeakPolarHBondContact OD1-CB 3.48Å; D1501-S1558 PolarHBondContact OD1-N 2.86Å; D1501-S1558 WeakPolarHBondContact OD2-CA 3.39Å; D1501-S1558 VanDerWaalsContact OD2-CB 3.26Å; D1501-S1558 WeakPolarHBondContact OD2-CB 3.26Å; D1501-S1558 PolarHBondContact OD2-N 2.84Å; C1555-S1558 VanDerWaalsContact SG-CB 3.57Å; C1555-S1558 WeakPolarHBondContact SG-CB 3.38Å; S1558-Q1633 PolarHBondContact N-O 2.89Å; S1558-Q1633 VanDerWaalsContact N-O 3.14Å; S1558-S1634 CarbonylContact C-O 3.52Å; S1558-S1634 WeakPolarHBondContact CA-O 3.47Å; S1558-S1634 WeakPolarHBondContact OG-CB 3.29Å; S1558-V1635 PolarHBondContact O-N 3.04Å
1559	V	48.4	Very low	46.7	Very low	61.4 Å²	61.4	60 Å²	60	37%	0.372	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	136.6	169.3	-178.5	0	0	0	0	109.2	S1482 V1483 Q1484 S1497 V1498 G1499 T1561 V1574 S1634 V1635 Q1636	S1482-V1559 PolarHBondContact O-N 3.03Å; V1483-V1559 HydrophobicContact CG1-CB 4.08Å; V1483-V1559 HydrophobicContact CG2-CB 4.29Å; V1483-V1559 HydrophobicContact CG2-CG2 4.07Å; Q1484-V1559 PolarHBondContact N-O 3.17Å; S1497-V1559 CarbonylContact O-C 3.42Å; S1497-V1559 VanDerWaalsContact O-O 3.09Å; V1498-V1559 CarbonylContact C-O 3.47Å; G1499-V1559 WeakPolarHBondContact CA-O 3.1Å; G1499-V1559 PolarHBondContact N-O 2.91Å; V1559-T1561 WeakPolarHBondContact CG1-OG1 3.47Å; V1559-V1574 CarbonylContact C-O 3.45Å; V1559-V1574 WeakPolarHBondContact CA-O 3.21Å; V1559-V1574 VanDerWaalsContact CG1-N 3.3Å; V1559-V1574 WeakPolarHBondContact CG1-O 3.33Å; V1559-S1634 PolarHBondContact N-O 2.87Å; V1559-V1635 WeakPolarHBondContact CA-O 3.29Å; V1559-V1635 HydrophobicContact CB-CG2 4.2Å; V1559-V1635 HydrophobicContact CG2-CG2 4.33Å; V1559-Q1636 PolarHBondContact O-N 2.82Å
1560	Q	43.7	Very low	44.9	Very low	52.6 Å²	52.6	62.5 Å²	62.5	25%	0.246	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	123.2	178.4	-170	-167.8	42.6	0	0	112.2	S1497 G1499 V1574 V1576 V1629 V1635 Q1636 T1637	S1497-Q1560 CarbonylContact O-C 3.13Å; S1497-Q1560 WeakPolarHBondContact O-CA 3.33Å; S1497-Q1560 PolarHBondContact O-N 3.08Å; G1499-Q1560 WeakPolarHBondContact O-CG 3.25Å; Q1560-V1574 PolarHBondContact N-O 3.21Å; Q1560-V1574 VanDerWaalsContact O-CB 3.23Å; Q1560-V1574 WeakPolarHBondContact O-CB 3.19Å; Q1560-V1574 WeakPolarHBondContact O-CG1 3.25Å; Q1560-V1576 HydrophobicContact CB-CB 4.19Å; Q1560-V1576 HydrophobicContact CB-CG2 4.04Å; Q1560-V1576 HydrophobicContact CG-CB 4.46Å; Q1560-V1576 HydrophobicContact CG-CG2 4.45Å; Q1560-V1576 VanDerWaalsContact OE1-CG2 3.26Å; Q1560-V1629 HydrophobicContact CG-CG1 4.03Å; Q1560-V1635 PolarHBondContact N-O 3.21Å; Q1560-V1635 VanDerWaalsContact N-O 3.16Å; Q1560-Q1636 VanDerWaalsContact NE2-OE1 3.14Å; Q1560-T1637 PolarHBondContact O-N 2.74Å
1561	T	38.5	Very low	43.2	Very low	52.4 Å²	52.4	64.7 Å²	64.7	32%	0.321	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	144.6	176.8	-51.5	0	0	0	0	110.6	Q1484 V1496 S1497 V1498 V1559 V1572 P1639	Q1484-T1561 PolarHBondContact O-N 3.29Å; V1496-T1561 HydrophobicContact CG1-CG2 4.31Å; S1497-T1561 WeakPolarHBondContact CA-OG1 3.22Å; S1497-T1561 PolarHBondContact N-OG1 2.87Å; S1497-T1561 PolarHBondContact O-N 3.39Å; S1497-T1561 PolarHBondContact O-OG1 3Å; V1498-T1561 WeakPolarHBondContact CA-O 3.2Å; V1498-T1561 WeakPolarHBondContact CG2-O 3.05Å; V1559-T1561 WeakPolarHBondContact CG1-OG1 3.47Å; T1561-V1572 HydrophobicContact CG2-CB 3.97Å; T1561-V1572 HydrophobicContact CG2-CG1 4.06Å; T1561-V1572 HydrophobicContact CG2-CG2 3.6Å; T1561-P1639 HydrophobicContact CG2-CB 3.85Å
1562	I	39.5	Very low	41.7	Very low	67.2 Å²	67.2	67.4 Å²	67.4	35%	0.345	36%	0.36	S	S	.	.			trans	-117.3	130.3	174.1	-54.8	176.7	0	0	0	108.2	I1486 P1487 E1564 P1639	I1486-I1562 HydrophobicContact CD1-CD1 4.31Å; I1486-I1562 HydrophobicContact CD1-CG1 4.16Å; P1487-I1562 WeakPolarHBondContact CD-O 3.44Å; P1487-I1562 WeakPolarHBondContact CG-O 3.39Å; I1562-E1564 PolarHBondContact O-N 2.99Å; I1562-P1639 HydrophobicContact CB-CB 4.25Å; I1562-P1639 HydrophobicContact CB-CG 4.01Å; I1562-P1639 HydrophobicContact CD1-CG 4.06Å; I1562-P1639 HydrophobicContact CG1-CG 4.07Å
1563	P	36.7	Very low	40	Very low	54.6 Å²	54.6	70.6 Å²	70.6	36%	0.355	38%	0.376	S	S	.	.			trans	-85.2	156.7	175.2	21	-15.4	0	0	0	112.9	I1486 P1487 E1488 V1498 M1594 I1638	I1486-P1563 HydrophobicContact CB-CG 4.37Å; I1486-P1563 HydrophobicContact CD1-CG 3.86Å; I1486-P1563 WeakPolarHBondContact O-CD 3.49Å; I1486-P1563 VanDerWaalsContact O-CG 3.25Å; I1486-P1563 WeakPolarHBondContact O-CG 3.16Å; P1487-P1563 WeakPolarHBondContact O-CG 3.28Å; E1488-P1563 HydrophobicContact CB-CB 4.33Å; E1488-P1563 HydrophobicContact CB-CG 4.08Å; E1488-P1563 HydrophobicContact CG-CB 4.35Å; V1498-P1563 HydrophobicContact CG2-CG 3.95Å; P1563-M1594 VanDerWaalsContact CD-SD 3.58Å; P1563-M1594 HydrophobicContact CG-CB 4.09Å; P1563-M1594 HydrophobicContact CG-CG 4.07Å; P1563-M1594 HydrophobicContact CG-SD 3.62Å; P1563-I1638 WeakPolarHBondContact CD-O 3.31Å; P1563-I1638 WeakPolarHBondContact CG-O 3.24Å
1564	E	33.4	Very low	38.6	Very low	71.8 Å²	71.8	73.2 Å²	73.2	34%	0.336	39%	0.392	S	S	.	.			trans	-101.4	131.7	-168.4	-172.8	-173.4	161.8	0	0	112.3	E1488 V1496 I1562 R1566 P1639 E1640 R1642	E1488-E1564 VanDerWaalsContact CG-O 3.26Å; E1488-E1564 WeakPolarHBondContact CG-O 3.5Å; V1496-E1564 HydrophobicContact CG2-CB 3.68Å; I1562-E1564 PolarHBondContact O-N 2.99Å; E1564-R1566 VanDerWaalsContact CD-NE 3.31Å; E1564-R1566 HydrophobicContact CG-CG 3.94Å; E1564-R1566 IonicContact OE1-CZ 3.12Å; E1564-R1566 VanDerWaalsContact OE1-CZ 3.28Å; E1564-R1566 IonicContact OE1-NE 3.26Å; E1564-R1566 PolarHBondContact OE1-NE 2.99Å; E1564-R1566 IonicContact OE1-NH2 3.15Å; E1564-R1566 PolarHBondContact OE1-NH2 3.15Å; E1564-R1566 IonicContact OE2-CZ 3.04Å; E1564-R1566 IonicContact OE2-NE 3.17Å; E1564-R1566 PolarHBondContact OE2-NE 3.15Å; E1564-R1566 IonicContact OE2-NH2 3.27Å; E1564-R1566 PolarHBondContact OE2-NH2 2.99Å; E1564-P1639 WeakPolarHBondContact OE2-CA 3Å; E1564-P1639 WeakPolarHBondContact OE2-CB 3.43Å; E1564-E1640 PolarHBondContact OE2-N 3.49Å; E1564-R1642 VanDerWaalsContact CD-NE 3.31Å; E1564-R1642 IonicContact OE1-CZ 3.93Å; E1564-R1642 IonicContact OE1-NE 3.68Å; E1564-R1642 PolarHBondContact OE1-NE 2.6Å; E1564-R1642 IonicContact OE1-NH2 2.87Å; E1564-R1642 IonicContact OE2-CZ 2.7Å; E1564-R1642 IonicContact OE2-NE 2.69Å; E1564-R1642 PolarHBondContact OE2-NE 2.83Å; E1564-R1642 IonicContact OE2-NH2 2.86Å; E1564-R1642 PolarHBondContact OE2-NH2 3.48Å
1565	E	30.4	Very low	37.1	Very low	125.2 Å²	125.2	72.6 Å²	72.6	59%	0.585	40%	0.402	S	S	*	.			trans	-101.9	137.2	173.6	-147.1	-169.7	179.7	0	0	111.6	F1569	E1565-F1569 HydrophobicContact CG-CE1 4.32Å; E1565-F1569 HydrophobicContact CG-CZ 4.5Å; E1565-F1569 WeakPolarHBondContact O-CD1 3.36Å
1566	R	30.7	Very low	36	Very low	108.8 Å²	108.8	75.4 Å²	75.4	41%	0.411	42%	0.418	S	S	.	.			trans	-118.5	0	-168.9	-76.9	179.4	-175.6	161.1	2.1	116.7	E1488 E1489 H1494 T1495 V1496 E1564 V1568 F1569 V1572 E1640 E1641	E1488-R1566 IonicContact OE1-CZ 3.81Å; E1488-R1566 IonicContact OE1-NE 2.69Å; E1488-R1566 IonicContact OE1-NH1 3.35Å; E1488-R1566 PolarHBondContact OE1-NH1 2.93Å; E1489-R1566 WeakPolarHBondContact O-CB 3.26Å; H1494-R1566 PolarHBondContact O-NH1 2.97Å; T1495-R1566 PolarHBondContact O-NH1 3.32Å; T1495-R1566 PolarHBondContact O-NH2 2.67Å; V1496-R1566 VanDerWaalsContact CG2-NE 3.34Å; E1564-R1566 VanDerWaalsContact CD-NE 3.31Å; E1564-R1566 HydrophobicContact CG-CG 3.94Å; E1564-R1566 IonicContact OE1-CZ 3.12Å; E1564-R1566 VanDerWaalsContact OE1-CZ 3.28Å; E1564-R1566 IonicContact OE1-NE 3.26Å; E1564-R1566 PolarHBondContact OE1-NE 2.99Å; E1564-R1566 IonicContact OE1-NH2 3.15Å; E1564-R1566 PolarHBondContact OE1-NH2 3.15Å; E1564-R1566 IonicContact OE2-CZ 3.04Å; E1564-R1566 IonicContact OE2-NE 3.17Å; E1564-R1566 PolarHBondContact OE2-NE 3.15Å; E1564-R1566 IonicContact OE2-NH2 3.27Å; E1564-R1566 PolarHBondContact OE2-NH2 2.99Å; R1566-V1568 VanDerWaalsContact C-N 3.33Å; R1566-V1568 PolarHBondContact O-N 2.94Å; R1566-V1568 VanDerWaalsContact O-N 3.08Å; R1566-F1569 HydrophobicContact CB-CB 4.06Å; R1566-F1569 HydrophobicContact CB-CD1 3.76Å; R1566-F1569 HydrophobicContact CB-CD2 2.63Å; R1566-F1569 HydrophobicContact CB-CE1 3.92Å; R1566-F1569 HydrophobicContact CB-CE2 2.8Å; R1566-F1569 HydrophobicContact CB-CG 3.16Å; R1566-F1569 HydrophobicContact CB-CZ 3.51Å; R1566-F1569 HydrophobicContact CG-CB 3.56Å; R1566-F1569 HydrophobicContact CG-CD1 4.15Å; R1566-F1569 HydrophobicContact CG-CD2 3.21Å; R1566-F1569 HydrophobicContact CG-CE2 4.03Å; R1566-F1569 HydrophobicContact CG-CG 3.28Å; R1566-F1569 WeakPolarHBondContact O-CD2 3.35Å; R1566-F1569 WeakPolarHBondContact O-CE1 3.3Å; R1566-F1569 WeakPolarHBondContact O-CE2 3.26Å; R1566-F1569 WeakPolarHBondContact O-CG 3.31Å; R1566-F1569 WeakPolarHBondContact O-CZ 3.19Å; R1566-V1572 VanDerWaalsContact NH2-CG2 3.28Å; R1566-E1640 IonicContact CZ-OE1 3.56Å; R1566-E1640 IonicContact NE-OE1 3.6Å; R1566-E1640 IonicContact NH1-OE1 3.54Å; R1566-E1640 PolarHBondContact NH1-OE1 3.07Å; R1566-E1640 IonicContact NH1-OE2 3.53Å; R1566-E1641 PolarHBondContact NH1-O 3.43Å; R1566-E1641 PolarHBondContact NH2-O 3.08Å
1567	P	31.4	Very low	35	Very low	78.8 Å²	78.8	78.2 Å²	78.2	51%	0.512	43%	0.428	S	S	.	.				0	120.6	0	19	-22.2	0	0	0	113.9	P1491 F1569 E1641 V1644	P1491-P1567 HydrophobicContact CG-CB 4.24Å; P1567-F1569 HydrophobicContact CB-CD2 4.31Å; P1567-F1569 HydrophobicContact CB-CE2 4Å; P1567-F1569 HydrophobicContact CB-CZ 4.11Å; P1567-F1569 HydrophobicContact CG-CD1 4.31Å; P1567-F1569 HydrophobicContact CG-CE1 4.29Å; P1567-F1569 HydrophobicContact CG-CE2 4.13Å; P1567-F1569 WeakPolarHBondContact O-CD2 3.02Å; P1567-F1569 PolarHBondContact O-N 3.39Å; P1567-E1641 WeakPolarHBondContact CD-OE1 3.35Å; P1567-V1644 WeakPolarHBondContact O-CA 3.29Å; P1567-V1644 PolarHBondContact O-N 2.75Å
1568	V	29.9	Very low	34.3	Very low	78.2 Å²	78.2	78 Å²	78	47%	0.474	43%	0.43	S	S	.	.			trans	-113	100.1	-177.8	-170.7	0	0	0	0	111.3	P1491 V1492 F1493 T1527 R1566 H1570 F1645	P1491-V1568 PolarHBondContact O-N 2.97Å; P1491-V1568 VanDerWaalsContact O-N 3.13Å; V1492-V1568 VanDerWaalsContact CA-O 3.23Å; V1492-V1568 WeakPolarHBondContact CA-O 3.33Å; V1492-V1568 HydrophobicContact CB-CB 4.24Å; V1492-V1568 HydrophobicContact CG1-CB 3.85Å; V1492-V1568 HydrophobicContact CG1-CG1 4.27Å; V1492-V1568 HydrophobicContact CG2-CB 3.86Å; V1492-V1568 HydrophobicContact CG2-CG2 3.83Å; F1493-V1568 HydrophobicContact CD2-CB 4.4Å; F1493-V1568 HydrophobicContact CD2-CG1 3.86Å; F1493-V1568 HydrophobicContact CE2-CB 3.95Å; F1493-V1568 HydrophobicContact CE2-CG1 3.69Å; F1493-V1568 HydrophobicContact CE2-CG2 4.02Å; F1493-V1568 HydrophobicContact CZ-CB 4.34Å; F1493-V1568 HydrophobicContact CZ-CG2 4.21Å; F1493-V1568 PolarHBondContact N-O 3.12Å; T1527-V1568 HydrophobicContact CG2-CG1 3.96Å; T1527-V1568 HydrophobicContact CG2-CG2 3.76Å; R1566-V1568 VanDerWaalsContact C-N 3.33Å; R1566-V1568 PolarHBondContact O-N 2.94Å; R1566-V1568 VanDerWaalsContact O-N 3.08Å; V1568-H1570 PolarHBondContact O-N 3.02Å; V1568-H1570 VanDerWaalsContact O-N 3.16Å; V1568-H1570 PolarHBondContact O-ND1 3.4Å; V1568-F1645 HydrophobicContact CG1-CD1 3.62Å; V1568-F1645 HydrophobicContact CG1-CD2 3.91Å; V1568-F1645 HydrophobicContact CG1-CE1 3.47Å; V1568-F1645 VanDerWaalsContact CG1-CE1 3.47Å; V1568-F1645 HydrophobicContact CG1-CE2 3.77Å; V1568-F1645 HydrophobicContact CG1-CG 3.85Å; V1568-F1645 HydrophobicContact CG1-CZ 3.56Å; V1568-F1645 PolarHBondContact O-N 2.85Å
1569	F	28.2	Very low	33.6	Very low	109.4 Å²	109.4	81 Å²	81	48%	0.48	45%	0.447	S	S	.	.			trans	-91.1	130.2	-179.1	-47.7	-96.5	0	0	0	112.2	F1493 H1494 Q1528 T1529 E1565 R1566 P1567 T1571 E1641 R1642	F1493-F1569 HydrophobicContact CB-CD1 3.9Å; F1493-F1569 AromaticContact CD1-CD2 3.51Å; F1493-F1569 HydrophobicContact CD1-CD2 3.51Å; F1493-F1569 AromaticContact CD1-CE2 3.88Å; F1493-F1569 HydrophobicContact CD1-CE2 3.88Å; F1493-F1569 AromaticContact CD2-CD1 3.54Å; F1493-F1569 HydrophobicContact CD2-CD1 3.54Å; F1493-F1569 AromaticContact CD2-CE1 3.34Å; F1493-F1569 HydrophobicContact CD2-CE1 3.34Å; F1493-F1569 HydrophobicContact CD2-CZ 4.21Å; F1493-F1569 AromaticContact CE1-CD2 3.63Å; F1493-F1569 HydrophobicContact CE1-CD2 3.63Å; F1493-F1569 AromaticContact CE1-CE2 3.59Å; F1493-F1569 HydrophobicContact CE1-CE2 3.59Å; F1493-F1569 HydrophobicContact CE2-CD1 4.33Å; F1493-F1569 AromaticContact CE2-CE1 3.67Å; F1493-F1569 HydrophobicContact CE2-CE1 3.67Å; F1493-F1569 HydrophobicContact CE2-CZ 4.3Å; F1493-F1569 AromaticContact CG-CD1 3.91Å; F1493-F1569 HydrophobicContact CG-CD1 3.91Å; F1493-F1569 HydrophobicContact CG-CE1 4.04Å; F1493-F1569 CarbonylContact O-C 3.49Å; F1493-F1569 VanDerWaalsContact O-C 3.29Å; H1494-F1569 AromaticContact ND1-CZ 3.62Å; Q1528-F1569 CarbonylContact C-O 3.6Å; Q1528-F1569 WeakPolarHBondContact CA-O 2.9Å; T1529-F1569 CarbonylContact C-O 3.24Å; T1529-F1569 PolarHBondContact N-O 2.95Å; T1529-F1569 CarbonylContact O-C 3.58Å; T1529-F1569 VanDerWaalsContact O-C 3.24Å; E1565-F1569 HydrophobicContact CG-CE1 4.32Å; E1565-F1569 HydrophobicContact CG-CZ 4.5Å; E1565-F1569 WeakPolarHBondContact O-CD1 3.36Å; R1566-F1569 HydrophobicContact CB-CB 4.06Å; R1566-F1569 HydrophobicContact CB-CD1 3.76Å; R1566-F1569 HydrophobicContact CB-CD2 2.63Å; R1566-F1569 HydrophobicContact CB-CE1 3.92Å; R1566-F1569 HydrophobicContact CB-CE2 2.8Å; R1566-F1569 HydrophobicContact CB-CG 3.16Å; R1566-F1569 HydrophobicContact CB-CZ 3.51Å; R1566-F1569 HydrophobicContact CG-CB 3.56Å; R1566-F1569 HydrophobicContact CG-CD1 4.15Å; R1566-F1569 HydrophobicContact CG-CD2 3.21Å; R1566-F1569 HydrophobicContact CG-CE2 4.03Å; R1566-F1569 HydrophobicContact CG-CG 3.28Å; R1566-F1569 WeakPolarHBondContact O-CD2 3.35Å; R1566-F1569 WeakPolarHBondContact O-CE1 3.3Å; R1566-F1569 WeakPolarHBondContact O-CE2 3.26Å; R1566-F1569 WeakPolarHBondContact O-CG 3.31Å; R1566-F1569 WeakPolarHBondContact O-CZ 3.19Å; P1567-F1569 HydrophobicContact CB-CD2 4.31Å; P1567-F1569 HydrophobicContact CB-CE2 4Å; P1567-F1569 HydrophobicContact CB-CZ 4.11Å; P1567-F1569 HydrophobicContact CG-CD1 4.31Å; P1567-F1569 HydrophobicContact CG-CE1 4.29Å; P1567-F1569 HydrophobicContact CG-CE2 4.13Å; P1567-F1569 WeakPolarHBondContact O-CD2 3.02Å; P1567-F1569 PolarHBondContact O-N 3.39Å; F1569-T1571 PolarHBondContact O-N 2.86Å; F1569-E1641 HydrophobicContact CD1-CG 4.08Å; F1569-E1641 VanDerWaalsContact CD1-OE1 3.27Å; F1569-E1641 WeakPolarHBondContact CD1-OE1 3.32Å; F1569-R1642 WeakPolarHBondContact CA-O 3.35Å; F1569-R1642 HydrophobicContact CB-CB 3.77Å; F1569-R1642 HydrophobicContact CB-CG 4.31Å
1570	H	29.5	Very low	32.9	Very low	103.2 Å²	103.2	80.3 Å²	80.3	48%	0.478	45%	0.452	S	S	.	.			trans	-123.5	118	176.2	-80.1	85	0	0	0	113.2	Q1452 D1454 F1493 H1494 T1495 Q1528 T1529 V1568 V1572 R1642 F1645 T1647	Q1452-H1570 VanDerWaalsContact CD-CE1 3.43Å; Q1452-H1570 PolarHBondContact NE2-ND1 2.82Å; Q1452-H1570 PolarHBondContact OE1-CE1 3.07Å; Q1452-H1570 PolarHBondContact OE1-ND1 2.8Å; D1454-H1570 VanDerWaalsContact OD2-C 3.32Å; F1493-H1570 AromaticContact CD2-CE1 3.89Å; F1493-H1570 VanDerWaalsContact O-CA 3.26Å; F1493-H1570 WeakPolarHBondContact O-CA 3.4Å; F1493-H1570 WeakPolarHBondContact O-CB 3.03Å; F1493-H1570 PolarHBondContact O-N 2.82Å; H1494-H1570 CarbonylContact C-O 3.6Å; H1494-H1570 WeakPolarHBondContact CA-O 3.45Å; H1494-H1570 WeakPolarHBondContact CD2-CB 3.45Å; H1494-H1570 AromaticContact CD2-CD2 3.55Å; H1494-H1570 AromaticContact CD2-CG 3.59Å; H1494-H1570 PolarHBondContact N-CD2 2.92Å; H1494-H1570 PolarHBondContact N-NE2 2.86Å; H1494-H1570 AromaticContact ND1-CD2 3.51Å; H1494-H1570 AromaticContact ND1-NE2 3.1Å; H1494-H1570 PolarHBondContact ND1-NE2 3.03Å; H1494-H1570 AromaticContact NE2-CD2 3.37Å; H1494-H1570 PolarHBondContact NE2-CD2 2.61Å; H1494-H1570 AromaticContact NE2-CG 3.73Å; H1494-H1570 AromaticContact NE2-NE2 3.7Å; H1494-H1570 WeakPolarHBondContact O-CA 3Å; T1495-H1570 PolarHBondContact N-O 3.23Å; Q1528-H1570 PolarHBondContact N-CE1 3.3Å; Q1528-H1570 PolarHBondContact N-ND1 2.99Å; T1529-H1570 VanDerWaalsContact C-CA 3.5Å; T1529-H1570 PolarHBondContact N-ND1 3.41Å; T1529-H1570 VanDerWaalsContact OG1-CA 3.31Å; T1529-H1570 WeakPolarHBondContact OG1-CA 3.36Å; T1529-H1570 WeakPolarHBondContact OG1-CB 3.21Å; T1529-H1570 PolarHBondContact OG1-CD2 3.44Å; V1568-H1570 PolarHBondContact O-N 3.02Å; V1568-H1570 VanDerWaalsContact O-N 3.16Å; V1568-H1570 PolarHBondContact O-ND1 3.4Å; H1570-V1572 PolarHBondContact O-N 3.45Å; H1570-R1642 WeakPolarHBondContact O-CD 3.07Å; H1570-F1645 AromaticContact CE1-CD1 3.94Å; H1570-T1647 HydrophobicContact CB-CG2 4.25Å; H1570-T1647 VanDerWaalsContact O-CA 3.29Å; H1570-T1647 WeakPolarHBondContact O-CA 3.48Å; H1570-T1647 VanDerWaalsContact O-CB 3.3Å; H1570-T1647 WeakPolarHBondContact O-CB 3.49Å; H1570-T1647 WeakPolarHBondContact O-CG2 3.38Å
1571	T	27.8	Very low	32.4	Very low	86.6 Å²	86.6	85.8 Å²	85.8	53%	0.531	48%	0.475	S	S	.	.			trans	-91.1	128.9	172.7	-50.4	0	0	0	0	112.7	D1454 H1494 T1495 T1529 D1530 P1531 F1569 R1642 D1649	D1454-T1571 WeakPolarHBondContact OD2-CA 3.42Å; D1454-T1571 WeakPolarHBondContact OD2-CB 3.5Å; D1454-T1571 PolarHBondContact OD2-N 3.07Å; D1454-T1571 PolarHBondContact OD2-OG1 2.91Å; H1494-T1571 PolarHBondContact O-N 2.84Å; T1495-T1571 CarbonylContact O-C 2.88Å; T1495-T1571 WeakPolarHBondContact O-CA 3.18Å; T1495-T1571 PolarHBondContact O-N 3.41Å; T1495-T1571 WeakPolarHBondContact OG1-CA 3.21Å; T1495-T1571 WeakPolarHBondContact OG1-CB 3.33Å; T1495-T1571 VanDerWaalsContact OG1-CG2 3.28Å; T1495-T1571 WeakPolarHBondContact OG1-CG2 3.41Å; T1495-T1571 PolarHBondContact OG1-OG1 3.24Å; T1529-T1571 WeakPolarHBondContact CG2-O 3.43Å; D1530-T1571 WeakPolarHBondContact O-CB 3.37Å; P1531-T1571 WeakPolarHBondContact CA-OG1 3.32Å; F1569-T1571 PolarHBondContact O-N 2.86Å; T1571-R1642 WeakPolarHBondContact O-CD 3.05Å; T1571-R1642 PolarHBondContact O-NH1 3.09Å; T1571-D1649 WeakPolarHBondContact CG2-OD2 3.21Å
1572	V	32.1	Very low	32.1	Very low	74.6 Å²	74.6	88 Å²	88	45%	0.452	48%	0.484	S	S	.	.			trans	-140.9	121.5	166.4	-176.1	0	0	0	0	111.9	T1495 V1496 S1497 M1518 T1529 T1561 R1566 H1570 V1574 M1594 T1637 D1649	T1495-V1572 PolarHBondContact O-N 2.88Å; V1496-V1572 HydrophobicContact CG1-CB 3.79Å; V1496-V1572 HydrophobicContact CG1-CG1 3.94Å; S1497-V1572 PolarHBondContact N-O 3.23Å; M1518-V1572 HydrophobicContact SD-CG1 4.35Å; T1529-V1572 HydrophobicContact CG2-CG2 4.34Å; T1561-V1572 HydrophobicContact CG2-CB 3.97Å; T1561-V1572 HydrophobicContact CG2-CG1 4.06Å; T1561-V1572 HydrophobicContact CG2-CG2 3.6Å; R1566-V1572 VanDerWaalsContact NH2-CG2 3.28Å; H1570-V1572 PolarHBondContact O-N 3.45Å; V1572-V1574 HydrophobicContact CB-CG2 4.38Å; V1572-V1574 HydrophobicContact CG1-CG2 3.86Å; V1572-V1574 VanDerWaalsContact CG1-CG2 3.47Å; V1572-M1594 HydrophobicContact CG1-CE 3.32Å; V1572-M1594 HydrophobicContact CG1-SD 4.19Å; V1572-T1637 HydrophobicContact CG1-CG2 3.79Å; V1572-D1649 VanDerWaalsContact CA-OD1 3.24Å; V1572-D1649 WeakPolarHBondContact CA-OD1 2.99Å
1573	N	28.4	Very low	31.7	Very low	109.6 Å²	109.6	91.4 Å²	91.4	59%	0.586	50%	0.499	S	S	*	.			trans	-90	123.9	169.5	-76.2	-50	0	0	0	114.7	G1575 T1637 D1649 T1717	N1573-G1575 PolarHBondContact O-N 3.49Å; N1573-T1637 WeakPolarHBondContact O-CB 3.06Å; N1573-T1637 WeakPolarHBondContact O-CG2 3.15Å; N1573-T1637 PolarHBondContact O-OG1 3Å; N1573-D1649 PolarHBondContact N-OD1 3.36Å; N1573-D1649 PolarHBondContact ND2-OD1 2.82Å; N1573-T1717 HydrophobicContact CB-CG2 3.93Å
1574	V	31.1	Very low	31.3	Very low	83.2 Å²	83.2	92.6 Å²	92.6	50%	0.504	51%	0.509	S	S	.	.			trans	-116.2	125.6	162.2	-171.7	0	0	0	0	112.3	S1497 V1498 G1499 M1518 V1559 Q1560 V1572 V1576 M1594 V1635 T1637	S1497-V1574 PolarHBondContact O-N 3.23Å; S1497-V1574 VanDerWaalsContact O-N 3.09Å; V1498-V1574 WeakPolarHBondContact CA-O 3.05Å; G1499-V1574 PolarHBondContact N-O 2.66Å; G1499-V1574 VanDerWaalsContact N-O 3.14Å; M1518-V1574 HydrophobicContact CB-CG2 4.18Å; M1518-V1574 HydrophobicContact CG-CG2 3.93Å; M1518-V1574 HydrophobicContact SD-CB 4.27Å; M1518-V1574 HydrophobicContact SD-CG2 3.56Å; M1518-V1574 VanDerWaalsContact SD-CG2 3.56Å; V1559-V1574 CarbonylContact C-O 3.45Å; V1559-V1574 WeakPolarHBondContact CA-O 3.21Å; V1559-V1574 VanDerWaalsContact CG1-N 3.3Å; V1559-V1574 WeakPolarHBondContact CG1-O 3.33Å; Q1560-V1574 PolarHBondContact N-O 3.21Å; Q1560-V1574 VanDerWaalsContact O-CB 3.23Å; Q1560-V1574 WeakPolarHBondContact O-CB 3.19Å; Q1560-V1574 WeakPolarHBondContact O-CG1 3.25Å; V1572-V1574 HydrophobicContact CB-CG2 4.38Å; V1572-V1574 HydrophobicContact CG1-CG2 3.86Å; V1572-V1574 VanDerWaalsContact CG1-CG2 3.47Å; V1574-V1576 HydrophobicContact CG1-CG2 4.09Å; V1574-V1576 PolarHBondContact O-N 3.25Å; V1574-V1576 VanDerWaalsContact O-N 3.16Å; V1574-M1594 HydrophobicContact CG2-CB 3.71Å; V1574-M1594 HydrophobicContact CG2-CE 3.79Å; V1574-M1594 HydrophobicContact CG2-CG 4.27Å; V1574-M1594 HydrophobicContact CG2-SD 3.53Å; V1574-M1594 VanDerWaalsContact CG2-SD 3.53Å; V1574-V1635 CarbonylContact C-O 3.46Å; V1574-V1635 VanDerWaalsContact CA-O 3.31Å; V1574-V1635 WeakPolarHBondContact CA-O 3.46Å; V1574-V1635 WeakPolarHBondContact CG1-O 3.12Å; V1574-T1637 WeakPolarHBondContact CG1-O 3.36Å; V1574-T1637 HydrophobicContact CG2-CG2 4.09Å
1575	G	30.6	Very low	31.2	Very low	47.2 Å²	47.2	94.1 Å²	94.1	49%	0.487	52%	0.522	S	S	.	.			trans	-118.9	137.9	172.9	0	0	0	0	0	113.1	N1573 D1577 Q1633 S1634 V1635	N1573-G1575 PolarHBondContact O-N 3.49Å; G1575-D1577 PolarHBondContact O-N 3.41Å; G1575-Q1633 CarbonylContact C-O 3.44Å; G1575-Q1633 VanDerWaalsContact CA-O 3.24Å; G1575-Q1633 WeakPolarHBondContact CA-O 3.27Å; G1575-S1634 WeakPolarHBondContact O-CA 3.29Å; G1575-V1635 PolarHBondContact N-O 3.45Å; G1575-V1635 CarbonylContact O-C 3.51Å; G1575-V1635 PolarHBondContact O-N 2.8Å
1576	V	35.4	Very low	31.1	Very low	74.2 Å²	74.2	93.2 Å²	93.2	45%	0.45	52%	0.521	S	S	.	.			trans	-114.6	105.9	178.7	179.5	0	0	0	0	110.1	D1501 A1516 Q1560 V1574 L1578 V1590 A1592 V1629 C1631 Q1633 I1709 H1710	D1501-V1576 PolarHBondContact N-O 3.32Å; D1501-V1576 VanDerWaalsContact N-O 3.15Å; A1516-V1576 HydrophobicContact CB-CG2 3.95Å; Q1560-V1576 HydrophobicContact CB-CB 4.19Å; Q1560-V1576 HydrophobicContact CB-CG2 4.04Å; Q1560-V1576 HydrophobicContact CG-CB 4.46Å; Q1560-V1576 HydrophobicContact CG-CG2 4.45Å; Q1560-V1576 VanDerWaalsContact OE1-CG2 3.26Å; V1574-V1576 HydrophobicContact CG1-CG2 4.09Å; V1574-V1576 PolarHBondContact O-N 3.25Å; V1574-V1576 VanDerWaalsContact O-N 3.16Å; V1576-L1578 VanDerWaalsContact C-N 3.29Å; V1576-L1578 HydrophobicContact CG1-CB 4.33Å; V1576-L1578 HydrophobicContact CG1-CD1 4.06Å; V1576-L1578 HydrophobicContact CG1-CG 4.13Å; V1576-L1578 PolarHBondContact O-N 2.92Å; V1576-V1590 HydrophobicContact CG1-CG1 4.24Å; V1576-A1592 HydrophobicContact CG2-CB 3.42Å; V1576-A1592 VanDerWaalsContact CG2-CB 3.42Å; V1576-V1629 HydrophobicContact CB-CG1 4.14Å; V1576-V1629 HydrophobicContact CG1-CB 4.23Å; V1576-V1629 HydrophobicContact CG1-CG1 3.62Å; V1576-C1631 VanDerWaalsContact C-CB 3.48Å; V1576-C1631 HydrophobicContact CB-CB 4.24Å; V1576-C1631 WeakPolarHBondContact O-CA 3.47Å; V1576-C1631 WeakPolarHBondContact O-CB 3.25Å; V1576-C1631 PolarHBondContact O-N 2.9Å; V1576-Q1633 PolarHBondContact N-O 3.11Å; V1576-I1709 HydrophobicContact CB-CG2 4.42Å; V1576-I1709 HydrophobicContact CG1-CB 4Å; V1576-I1709 HydrophobicContact CG1-CG1 4.38Å; V1576-I1709 HydrophobicContact CG1-CG2 3.42Å; V1576-I1709 VanDerWaalsContact CG1-CG2 3.42Å; V1576-I1709 HydrophobicContact CG2-CG2 4.02Å; V1576-H1710 CarbonylContact C-O 3.53Å; V1576-H1710 WeakPolarHBondContact CA-O 2.81Å; V1576-H1710 WeakPolarHBondContact CG1-O 3.29Å
1577	D	31.1	Very low	31.1	Very low	94.4 Å²	94.4	96.9 Å²	96.9	51%	0.505	54%	0.536	S	S	.	.			trans	-110.2	120.2	172.6	-129	-18	0	0	0	111.2	G1575 T1579 G1580 C1631 A1632 Q1633 S1634 H1710 S1711 V1712	G1575-D1577 PolarHBondContact O-N 3.41Å; D1577-T1579 PolarHBondContact O-N 3.4Å; D1577-T1579 WeakPolarHBondContact OD1-CA 3.37Å; D1577-T1579 PolarHBondContact OD1-N 2.7Å; D1577-T1579 PolarHBondContact OD1-OG1 3.27Å; D1577-T1579 WeakPolarHBondContact OD2-CB 3.21Å; D1577-G1580 PolarHBondContact OD1-N 3.43Å; D1577-C1631 WeakPolarHBondContact CA-O 3.49Å; D1577-A1632 WeakPolarHBondContact OD2-CA 3.16Å; D1577-Q1633 PolarHBondContact N-O 3.35Å; D1577-S1634 WeakPolarHBondContact CB-OG 2.99Å; D1577-H1710 PolarHBondContact N-O 3.23Å; D1577-H1710 CarbonylContact O-C 2.69Å; D1577-H1710 WeakPolarHBondContact O-CB 3.46Å; D1577-S1711 CarbonylContact O-C 3.13Å; D1577-S1711 WeakPolarHBondContact O-CA 3.14Å; D1577-S1711 PolarHBondContact O-N 2.73Å; D1577-V1712 HydrophobicContact CB-CB 4.16Å; D1577-V1712 HydrophobicContact CB-CG2 4.28Å; D1577-V1712 WeakPolarHBondContact OD1-CG2 3.32Å
1578	L	35.4	Very low	31.2	Very low	81.6 Å²	81.6	98 Å²	98	43%	0.427	53%	0.534	S	S	.	.			trans	-124.4	83.6	-177.6	-122	172.5	0	0	0	110.4	D1501 H1502 T1503 L1514 V1576 G1580 L1582 V1590 H1630 C1631 H1710 S2175 E2176	D1501-L1578 PolarHBondContact O-N 3.21Å; H1502-L1578 PolarHBondContact ND1-O 2.82Å; H1502-L1578 VanDerWaalsContact ND1-O 3.08Å; T1503-L1578 PolarHBondContact N-O 3.44Å; T1503-L1578 VanDerWaalsContact O-O 3.11Å; L1514-L1578 HydrophobicContact CD1-CD1 3.56Å; L1514-L1578 HydrophobicContact CD2-CD1 3.64Å; L1514-L1578 HydrophobicContact CG-CD1 4.22Å; V1576-L1578 VanDerWaalsContact C-N 3.29Å; V1576-L1578 HydrophobicContact CG1-CB 4.33Å; V1576-L1578 HydrophobicContact CG1-CD1 4.06Å; V1576-L1578 HydrophobicContact CG1-CG 4.13Å; V1576-L1578 PolarHBondContact O-N 2.92Å; L1578-G1580 PolarHBondContact O-N 3.42Å; L1578-L1582 HydrophobicContact CD2-CD1 4.35Å; L1578-V1590 HydrophobicContact CD1-CB 4.46Å; L1578-V1590 HydrophobicContact CD1-CG2 4.29Å; L1578-H1630 HydrophobicContact CB-CB 3.87Å; L1578-H1630 WeakPolarHBondContact CD1-ND1 3.18Å; L1578-C1631 CarbonylContact C-O 3.26Å; L1578-C1631 PolarHBondContact N-O 3.4Å; L1578-H1710 HydrophobicContact CB-CB 4.19Å; L1578-H1710 HydrophobicContact CD1-CB 4.04Å; L1578-H1710 WeakPolarHBondContact CD1-CD2 2.41Å; L1578-H1710 HydrophobicContact CG-CB 3.97Å; L1578-S2175 PolarHBondContact N-O 2.97Å; L1578-S2175 CarbonylContact O-C 3.58Å; L1578-S2175 VanDerWaalsContact O-O 3.12Å; L1578-E2176 WeakPolarHBondContact O-CA 3.46Å; L1578-E2176 WeakPolarHBondContact O-CB 3.43Å; L1578-E2176 PolarHBondContact O-N 3.26Å
1579	T	33.4	Very low	31.4	Very low	87 Å²	87	98.9 Å²	98.9	53%	0.534	54%	0.537	S	S	.	.			trans	-130	69.3	-177.9	-29	0	0	0	0	113	T1503 K1505 D1577 L1582 C1631 A1632 E2176	T1503-T1579 HydrophobicContact CG2-CG2 3.3Å; T1503-T1579 PolarHBondContact N-OG1 2.66Å; K1505-T1579 WeakPolarHBondContact CD-O 3.21Å; K1505-T1579 WeakPolarHBondContact CE-O 3.07Å; K1505-T1579 PolarHBondContact NZ-O 3.35Å; D1577-T1579 PolarHBondContact O-N 3.4Å; D1577-T1579 WeakPolarHBondContact OD1-CA 3.37Å; D1577-T1579 PolarHBondContact OD1-N 2.7Å; D1577-T1579 PolarHBondContact OD1-OG1 3.27Å; D1577-T1579 WeakPolarHBondContact OD2-CB 3.21Å; T1579-L1582 HydrophobicContact CG2-CD1 4.25Å; T1579-L1582 WeakPolarHBondContact O-CD1 3.08Å; T1579-L1582 VanDerWaalsContact O-CG 3.23Å; T1579-L1582 WeakPolarHBondContact O-CG 3.13Å; T1579-C1631 WeakPolarHBondContact CB-O 3.23Å; T1579-C1631 PolarHBondContact N-O 2.81Å; T1579-C1631 PolarHBondContact OG1-O 2.72Å; T1579-A1632 HydrophobicContact CG2-CB 3.73Å; T1579-E2176 HydrophobicContact CG2-CB 3.8Å; T1579-E2176 HydrophobicContact CG2-CG 4.49Å
1580	G	34.8	Very low	31.7	Very low	46 Å²	46	97.4 Å²	97.4	47%	0.474	54%	0.536	S	S	.	.			trans	-122.1	148.6	174.5	0	0	0	0	0	117.7	K1505 D1577 L1578 L1582	K1505-G1580 PolarHBondContact NZ-O 2.92Å; D1577-G1580 PolarHBondContact OD1-N 3.43Å; L1578-G1580 PolarHBondContact O-N 3.42Å; G1580-L1582 VanDerWaalsContact C-N 3.28Å; G1580-L1582 PolarHBondContact O-N 2.97Å
1581	K	32.5	Very low	31.8	Very low	166.8 Å²	166.8	99.1 Å²	99.1	73%	0.725	55%	0.545	S	S	*	.			trans	-89.7	111.8	159.1	-92.2	177	-178	-176.1	0	114.2	S1506 Q1583	S1506-K1581 WeakPolarHBondContact OG-CA 3.27Å; S1506-K1581 PolarHBondContact OG-O 2.78Å; K1581-Q1583 PolarHBondContact O-N 2.89Å
1582	L	32.4	Very low	32	Very low	98.8 Å²	98.8	97.2 Å²	97.2	52%	0.517	54%	0.537	S	S	.	.			trans	5.4	122.7	158.4	-74.2	168.8	0	0	0	114.4	H1502 K1505 S1506 L1509 L1578 T1579 G1580	H1502-L1582 WeakPolarHBondContact CE1-CD1 3.43Å; H1502-L1582 VanDerWaalsContact CE1-CD2 3.42Å; H1502-L1582 WeakPolarHBondContact CE1-CD2 3.23Å; K1505-L1582 HydrophobicContact CB-CB 4.26Å; K1505-L1582 HydrophobicContact CB-CD1 4.08Å; K1505-L1582 HydrophobicContact CD-CD1 4.2Å; K1505-L1582 HydrophobicContact CD-CG 4.5Å; K1505-L1582 HydrophobicContact CG-CD1 4.02Å; S1506-L1582 WeakPolarHBondContact CB-O 3.45Å; S1506-L1582 PolarHBondContact OG-N 2.88Å; S1506-L1582 PolarHBondContact OG-O 2.93Å; L1509-L1582 HydrophobicContact CD1-CB 3.9Å; L1509-L1582 HydrophobicContact CD1-CD1 3.52Å; L1509-L1582 HydrophobicContact CD1-CG 4.34Å; L1509-L1582 HydrophobicContact CD2-CB 4.17Å; L1578-L1582 HydrophobicContact CD2-CD1 4.35Å; T1579-L1582 HydrophobicContact CG2-CD1 4.25Å; T1579-L1582 WeakPolarHBondContact O-CD1 3.08Å; T1579-L1582 VanDerWaalsContact O-CG 3.23Å; T1579-L1582 WeakPolarHBondContact O-CG 3.13Å; G1580-L1582 VanDerWaalsContact C-N 3.28Å; G1580-L1582 PolarHBondContact O-N 2.97Å
1583	Q	30.3	Very low	31.8	Very low	139 Å²	139	97.7 Å²	97.7	65%	0.65	54%	0.541	S	S	*	.			trans	-171.1	132.2	148.2	-90.4	170.8	-38.3	0	0	114	K1581 V1585	K1581-Q1583 PolarHBondContact O-N 2.89Å; Q1583-V1585 VanDerWaalsContact C-N 3.28Å; Q1583-V1585 PolarHBondContact O-N 2.92Å
1584	S	28.1	Very low	31.9	Very low	80.4 Å²	80.4	96.9 Å²	96.9	56%	0.562	53%	0.534	S	S	*	.			trans	-165.4	130.2	176.2	147.3	0	0	0	0	115.9	P1507 S1508	P1507-S1584 PolarHBondContact O-N 3.01Å; P1507-S1584 PolarHBondContact O-OG 3.01Å; S1508-S1584 VanDerWaalsContact N-CA 3.28Å; S1508-S1584 PolarHBondContact N-OG 2.99Å; S1508-S1584 CarbonylContact O-C 3.17Å; S1508-S1584 VanDerWaalsContact O-CA 3.28Å; S1508-S1584 WeakPolarHBondContact O-CA 3.13Å; S1508-S1584 WeakPolarHBondContact O-CB 3.28Å; S1508-S1584 PolarHBondContact O-OG 3.42Å; S1508-S1584 PolarHBondContact OG-OG 3.09Å
1585	V	32.2	Very low	31.8	Very low	102.4 Å²	102.4	101.1 Å²	101.1	62%	0.621	54%	0.541	S	S	*	.			trans	85.4	122.8	149.8	179.6	0	0	0	0	116.1	S1508 L1509 K1512 Q1583 Y1587	S1508-V1585 PolarHBondContact O-N 2.75Å; L1509-V1585 VanDerWaalsContact CD1-O 3.27Å; L1509-V1585 WeakPolarHBondContact CD1-O 3.25Å; L1509-V1585 VanDerWaalsContact CG-O 3.24Å; L1509-V1585 WeakPolarHBondContact CG-O 3.08Å; K1512-V1585 WeakPolarHBondContact CE-O 3.45Å; K1512-V1585 PolarHBondContact NZ-O 3.13Å; Q1583-V1585 VanDerWaalsContact C-N 3.28Å; Q1583-V1585 PolarHBondContact O-N 2.92Å; V1585-Y1587 HydrophobicContact CG1-CD2 4.39Å; V1585-Y1587 HydrophobicContact CG1-CE2 4.49Å
1586	L	27.6	Very low	31.8	Very low	106.2 Å²	106.2	104.1 Å²	104.1	56%	0.556	54%	0.542	S	S	*	.			trans	-58	143.6	170.7	-73.1	139.1	0	0	0	116.3	L1509 V1510 E1588 K2185	L1509-L1586 HydrophobicContact CD2-CD2 4.46Å; L1509-L1586 HydrophobicContact CG-CD2 4.29Å; V1510-L1586 HydrophobicContact CB-CD2 4.08Å; V1510-L1586 HydrophobicContact CG2-CD2 4.44Å; L1586-E1588 PolarHBondContact O-N 3.07Å; L1586-K2185 HydrophobicContact CD2-CD 4.36Å; L1586-K2185 HydrophobicContact CG-CD 3.88Å
1587	Y	30.8	Very low	31.5	Very low	187 Å²	187	104.2 Å²	104.2	73%	0.733	55%	0.547	S	S	*	.			trans	75.2	106.8	146.7	-62.4	-68.6	0	0	0	118.9	V1510 G1511 V1585 N1589 K2187	V1510-Y1587 WeakPolarHBondContact O-CE1 3.28Å; V1510-Y1587 PolarHBondContact O-OH 3.09Å; G1511-Y1587 VanDerWaalsContact O-CD1 3.23Å; G1511-Y1587 WeakPolarHBondContact O-CD1 3.42Å; G1511-Y1587 WeakPolarHBondContact O-CE1 3.33Å; V1585-Y1587 HydrophobicContact CG1-CD2 4.39Å; V1585-Y1587 HydrophobicContact CG1-CE2 4.49Å; Y1587-N1589 PolarHBondContact O-ND2 3.01Å; Y1587-N1589 PolarHBondContact O-OD1 2.77Å; Y1587-N1589 VanDerWaalsContact O-OD1 3.13Å; Y1587-K2187 VanDerWaalsContact C-CB 3.47Å; Y1587-K2187 VanDerWaalsContact CA-CE 3.42Å; Y1587-K2187 VanDerWaalsContact CD1-NZ 3.26Å
1588	E	33.2	Very low	31.5	Very low	102 Å²	102	103.6 Å²	103.6	48%	0.477	55%	0.546	S	S	.	.			trans	-135	133.6	164.8	-86.1	-175.3	157	0	0	116	K1512 L1586 K2187 K2188	K1512-E1588 WeakPolarHBondContact CE-O 3.35Å; K1512-E1588 PolarHBondContact NZ-O 3.01Å; L1586-E1588 PolarHBondContact O-N 3.07Å; E1588-K2187 HydrophobicContact CB-CD 3.74Å; E1588-K2187 HydrophobicContact CG-CD 3.84Å; E1588-K2187 WeakPolarHBondContact OE1-CD 3.43Å; E1588-K2187 VanDerWaalsContact OE1-CE 3.32Å; E1588-K2187 WeakPolarHBondContact OE1-CE 3.2Å; E1588-K2187 IonicContact OE1-NZ 3.22Å; E1588-K2187 PolarHBondContact OE1-NZ 3.42Å; E1588-K2187 IonicContact OE2-NZ 3.92Å; E1588-K2187 PolarHBondContact OE2-NZ 3.33Å; E1588-K2188 WeakPolarHBondContact O-CD 3.24Å; E1588-K2188 WeakPolarHBondContact O-CE 3.07Å; E1588-K2188 WeakPolarHBondContact O-CG 3.06Å; E1588-K2188 PolarHBondContact O-NZ 3.35Å
1589	N	34.5	Very low	31.1	Very low	97 Å²	97	106 Å²	106	52%	0.519	56%	0.555	S	S	.	*			trans	74.7	127.7	156.2	-50.1	-54.9	0	0	0	117.1	K1512 K1513 Y1587 K2188 L2189 Q2190	K1512-N1589 WeakPolarHBondContact CB-OD1 2.93Å; K1512-N1589 HydrophobicContact CD-CB 4.23Å; K1512-N1589 WeakPolarHBondContact CG-OD1 3.39Å; K1513-N1589 HydrophobicContact CB-CB 4.44Å; K1513-N1589 VanDerWaalsContact CB-OD1 3.32Å; K1513-N1589 WeakPolarHBondContact CB-OD1 3.36Å; K1513-N1589 PolarHBondContact N-OD1 2.98Å; K1513-N1589 WeakPolarHBondContact O-CB 3.47Å; K1513-N1589 PolarHBondContact O-OD1 2.95Å; Y1587-N1589 PolarHBondContact O-ND2 3.01Å; Y1587-N1589 PolarHBondContact O-OD1 2.77Å; Y1587-N1589 VanDerWaalsContact O-OD1 3.13Å; N1589-K2188 VanDerWaalsContact C-CG 3.45Å; N1589-K2188 WeakPolarHBondContact O-CA 3.11Å; N1589-K2188 WeakPolarHBondContact O-CG 3.36Å; N1589-L2189 CarbonylContact O-C 3.57Å; N1589-L2189 WeakPolarHBondContact O-CA 3.45Å; N1589-Q2190 VanDerWaalsContact C-CB 3.44Å; N1589-Q2190 WeakPolarHBondContact O-CB 3.4Å; N1589-Q2190 PolarHBondContact O-N 3.49Å; N1589-Q2190 PolarHBondContact OD1-NE2 3.17Å
1590	V	35.1	Very low	30.8	Very low	78 Å²	78	107 Å²	107	47%	0.473	56%	0.557	S	S	.	*			trans	-96.5	130.2	168.3	-160.6	0	0	0	0	111.7	K1513 L1514 Q1515 T1552 V1576 L1578 A1592 T1628 K2188 L2189 V2191	K1513-V1590 PolarHBondContact NZ-O 3.26Å; K1513-V1590 PolarHBondContact O-N 3.47Å; K1513-V1590 VanDerWaalsContact O-N 3.11Å; L1514-V1590 CarbonylContact C-O 3.23Å; L1514-V1590 VanDerWaalsContact CA-O 3.31Å; L1514-V1590 WeakPolarHBondContact CA-O 3.29Å; L1514-V1590 HydrophobicContact CD2-CB 3.67Å; L1514-V1590 HydrophobicContact CD2-CG2 3.79Å; Q1515-V1590 PolarHBondContact N-O 2.98Å; T1552-V1590 HydrophobicContact CG2-CG1 4.26Å; V1576-V1590 HydrophobicContact CG1-CG1 4.24Å; L1578-V1590 HydrophobicContact CD1-CB 4.46Å; L1578-V1590 HydrophobicContact CD1-CG2 4.29Å; V1590-A1592 HydrophobicContact CG1-CB 3.93Å; V1590-A1592 PolarHBondContact O-N 2.81Å; V1590-T1628 HydrophobicContact CG1-CG2 4.2Å; V1590-T1628 HydrophobicContact CG2-CG2 3.89Å; V1590-K2188 WeakPolarHBondContact O-CG 3.36Å; V1590-L2189 WeakPolarHBondContact O-CA 3.07Å; V1590-L2189 WeakPolarHBondContact O-CG 3.48Å; V1590-V2191 HydrophobicContact CB-CG2 4.36Å; V1590-V2191 HydrophobicContact CG1-CG2 3.65Å
1591	Q	31.1	Very low	30.3	Very low	140 Å²	140	109.6 Å²	109.6	65%	0.654	56%	0.564	S	S	*	*				-129.9	129.4	125.4	-136.2	-167.8	0.4	0	0	111.6	Q1515 A1516 T1517 T1593 L2189 Q2190	Q1515-Q1591 HydrophobicContact CB-CG 4.19Å; Q1515-Q1591 HydrophobicContact CG-CG 4.4Å; Q1515-Q1591 CarbonylContact O-C 3.04Å; Q1515-Q1591 WeakPolarHBondContact O-CA 3.18Å; Q1515-Q1591 PolarHBondContact O-OE1 3.27Å; A1516-Q1591 PolarHBondContact O-NE2 3.13Å; T1517-Q1591 WeakPolarHBondContact OG1-CG 3.31Å; T1517-Q1591 PolarHBondContact OG1-NE2 3.31Å; Q1591-T1593 WeakPolarHBondContact CG-OG1 3.12Å; Q1591-T1593 PolarHBondContact NE2-OG1 2.91Å; Q1591-L2189 HydrophobicContact CB-CD2 4.35Å; Q1591-Q2190 CarbonylContact C-O 3.52Å; Q1591-Q2190 WeakPolarHBondContact CA-O 3.46Å; Q1591-Q2190 VanDerWaalsContact O-O 3.12Å
1592	A	31	Very low	30	Very low	45 Å²	45	106.1 Å²	106.1	37%	0.372	56%	0.561	S	S	.	*			trans	-138.1	158.2	172.4	0	0	0	0	0	110	Q1515 T1517 G1551 T1552 V1576 V1590 S1626 Q2190 V2191	Q1515-A1592 PolarHBondContact O-N 2.57Å; T1517-A1592 PolarHBondContact N-O 2.71Å; T1517-A1592 VanDerWaalsContact N-O 3.07Å; G1551-A1592 CarbonylContact C-O 3.59Å; G1551-A1592 PolarHBondContact N-O 2.87Å; G1551-A1592 CarbonylContact O-C 3.47Å; G1551-A1592 WeakPolarHBondContact O-CB 3.1Å; T1552-A1592 HydrophobicContact CG2-CB 4.24Å; T1552-A1592 WeakPolarHBondContact OG1-CA 3.2Å; T1552-A1592 PolarHBondContact OG1-N 3.43Å; T1552-A1592 PolarHBondContact OG1-O 2.72Å; T1552-A1592 VanDerWaalsContact OG1-O 3.12Å; V1576-A1592 HydrophobicContact CG2-CB 3.42Å; V1576-A1592 VanDerWaalsContact CG2-CB 3.42Å; V1590-A1592 HydrophobicContact CG1-CB 3.93Å; V1590-A1592 PolarHBondContact O-N 2.81Å; A1592-S1626 WeakPolarHBondContact CB-O 3.26Å; A1592-Q2190 WeakPolarHBondContact CB-O 3.41Å; A1592-Q2190 PolarHBondContact N-O 3.07Å; A1592-V2191 HydrophobicContact CB-CB 3.87Å; A1592-V2191 VanDerWaalsContact CB-O 3.27Å; A1592-V2191 WeakPolarHBondContact CB-O 3.43Å
1593	T	29.8	Very low	29.7	Very low	86.2 Å²	86.2	107 Å²	107	53%	0.529	57%	0.571	S	S	.	*			trans	-141.1	127	176.9	-63.4	0	0	0	0	111.5	T1517 Q1549 G1551 Q1591 T1624 Q1625 S1626 Y2192	T1517-T1593 CarbonylContact O-C 3.58Å; T1517-T1593 VanDerWaalsContact O-CA 3.27Å; T1517-T1593 WeakPolarHBondContact O-CA 3.47Å; Q1549-T1593 HydrophobicContact CB-CG2 3.84Å; G1551-T1593 PolarHBondContact O-N 2.73Å; Q1591-T1593 WeakPolarHBondContact CG-OG1 3.12Å; Q1591-T1593 PolarHBondContact NE2-OG1 2.91Å; T1593-T1624 WeakPolarHBondContact CB-O 3.07Å; T1593-T1624 PolarHBondContact OG1-O 2.79Å; T1593-Q1625 CarbonylContact O-C 3.36Å; T1593-Q1625 WeakPolarHBondContact O-CA 3.27Å; T1593-S1626 PolarHBondContact N-O 2.78Å; T1593-S1626 VanDerWaalsContact N-O 3.13Å; T1593-S1626 CarbonylContact O-C 3.26Å; T1593-S1626 PolarHBondContact O-N 2.79Å; T1593-S1626 PolarHBondContact OG1-N 2.87Å; T1593-Y2192 PolarHBondContact N-O 3.17Å
1594	M	30.4	Very low	29.5	Very low	92.4 Å²	92.4	107.5 Å²	107.5	46%	0.455	57%	0.573	S	S	.	*			trans	-108.2	148.4	164.8	-71.2	-175.3	-29	0	0	112.1	I1486 V1498 T1517 M1518 R1519 S1550 P1563 V1572 V1574 Q1596 Q1625 P2193	I1486-M1594 HydrophobicContact CD1-CB 3.34Å; I1486-M1594 HydrophobicContact CD1-CE 3.98Å; I1486-M1594 HydrophobicContact CD1-CG 4.1Å; I1486-M1594 HydrophobicContact CD1-SD 3.75Å; V1498-M1594 HydrophobicContact CG1-CE 3.65Å; V1498-M1594 HydrophobicContact CG1-SD 3.65Å; T1517-M1594 PolarHBondContact O-N 3.21Å; M1518-M1594 HydrophobicContact CG-CE 3.73Å; M1518-M1594 HydrophobicContact SD-CE 3.69Å; R1519-M1594 PolarHBondContact N-O 2.98Å; S1550-M1594 CarbonylContact C-O 2.77Å; S1550-M1594 VanDerWaalsContact C-O 3.31Å; S1550-M1594 PolarHBondContact N-O 3.18Å; S1550-M1594 VanDerWaalsContact O-O 3.11Å; P1563-M1594 VanDerWaalsContact CD-SD 3.58Å; P1563-M1594 HydrophobicContact CG-CB 4.09Å; P1563-M1594 HydrophobicContact CG-CG 4.07Å; P1563-M1594 HydrophobicContact CG-SD 3.62Å; V1572-M1594 HydrophobicContact CG1-CE 3.32Å; V1572-M1594 HydrophobicContact CG1-SD 4.19Å; V1574-M1594 HydrophobicContact CG2-CB 3.71Å; V1574-M1594 HydrophobicContact CG2-CE 3.79Å; V1574-M1594 HydrophobicContact CG2-CG 4.27Å; V1574-M1594 HydrophobicContact CG2-SD 3.53Å; V1574-M1594 VanDerWaalsContact CG2-SD 3.53Å; M1594-Q1596 HydrophobicContact CE-CB 4.16Å; M1594-Q1625 VanDerWaalsContact CB-OE1 3.24Å; M1594-P2193 VanDerWaalsContact CB-O 3.31Å; M1594-P2193 WeakPolarHBondContact CB-O 3.27Å; M1594-P2193 WeakPolarHBondContact CG-O 3.38Å; M1594-P2193 VanDerWaalsContact SD-O 3.39Å
1595	R	28.7	Very low	29.5	Very low	172.2 Å²	172.2	109.4 Å²	109.4	65%	0.65	58%	0.581	S	S	*	*			trans	175.8	126.3	152.8	-79.7	-154.4	179.6	-170.5	2.1	112.7	R1519 S1521 V1547 T1548 S1597 V1623	R1519-R1595 WeakPolarHBondContact O-CA 3.32Å; S1521-R1595 PolarHBondContact OG-NH1 2.93Å; S1521-R1595 PolarHBondContact OG-NH2 2.74Å; V1547-R1595 HydrophobicContact CG1-CG 4.42Å; V1547-R1595 PolarHBondContact O-NH2 2.63Å; T1548-R1595 VanDerWaalsContact O-CG 3.3Å; T1548-R1595 WeakPolarHBondContact O-CG 2.91Å; T1548-R1595 PolarHBondContact O-NE 2.87Å; T1548-R1595 VanDerWaalsContact O-NE 3.12Å; R1595-S1597 VanDerWaalsContact NH1-CB 3.26Å; R1595-S1597 PolarHBondContact NH1-OG 2.77Å; R1595-V1623 HydrophobicContact CB-CB 4.42Å; R1595-V1623 HydrophobicContact CB-CG1 3.7Å; R1595-V1623 HydrophobicContact CB-CG2 3.95Å; R1595-V1623 HydrophobicContact CG-CG2 4.27Å
1596	Q	30.4	Very low	29.3	Very low	108.8 Å²	108.8	109.9 Å²	109.9	51%	0.508	58%	0.58	S	S	.	*			trans	-145	141.3	167.1	-159.4	165.3	-1.9	0	0	108.3	I1486 E1489 R1519 S1521 M1594 V1598 Y1700	I1486-Q1596 HydrophobicContact CG2-CB 3.62Å; I1486-Q1596 HydrophobicContact CG2-CG 4.49Å; E1489-Q1596 PolarHBondContact OE2-NE2 2.69Å; R1519-Q1596 PolarHBondContact O-N 2.97Å; S1521-Q1596 PolarHBondContact N-O 2.77Å; S1521-Q1596 PolarHBondContact OG-O 2.94Å; M1594-Q1596 HydrophobicContact CE-CB 4.16Å; Q1596-V1598 HydrophobicContact CG-CG2 3.95Å; Q1596-Y1700 WeakPolarHBondContact CA-OH 3.03Å; Q1596-Y1700 WeakPolarHBondContact CG-OH 3.27Å
1597	S	27.8	Very low	29.5	Very low	78 Å²	78	110.2 Å²	110.2	55%	0.545	59%	0.589	S	S	.	*			trans	-179.2	127.7	155.6	58	0	0	0	0	112.2	E1413 S1521 R1595 F1620 Y1700	E1413-S1597 WeakPolarHBondContact OE2-CA 3.35Å; S1521-S1597 VanDerWaalsContact O-CB 3.25Å; S1521-S1597 WeakPolarHBondContact O-CB 2.83Å; R1595-S1597 VanDerWaalsContact NH1-CB 3.26Å; R1595-S1597 PolarHBondContact NH1-OG 2.77Å; S1597-F1620 WeakPolarHBondContact O-CE1 3.49Å; S1597-F1620 WeakPolarHBondContact O-CZ 3.25Å; S1597-F1620 WeakPolarHBondContact OG-CE1 3.45Å; S1597-Y1700 PolarHBondContact N-OH 2.83Å; S1597-Y1700 PolarHBondContact O-OH 2.72Å
1598	V	32.4	Very low	29.4	Very low	79.8 Å²	79.8	108.9 Å²	108.9	48%	0.484	59%	0.591	S	S	.	*			trans	-127.2	118.9	169.4	173.6	0	0	0	0	108.8	E1413 P1415 F1417 V1522 Q1596 N1600 I1698	E1413-V1598 PolarHBondContact OE2-N 2.82Å; E1413-V1598 VanDerWaalsContact OE2-N 3.08Å; P1415-V1598 HydrophobicContact CG-CG1 3.77Å; F1417-V1598 HydrophobicContact CZ-CG2 4Å; V1522-V1598 VanDerWaalsContact CG1-O 3.24Å; V1522-V1598 WeakPolarHBondContact CG1-O 3.2Å; Q1596-V1598 HydrophobicContact CG-CG2 3.95Å; V1598-N1600 PolarHBondContact O-ND2 2.7Å; V1598-N1600 PolarHBondContact O-OD1 2.83Å; V1598-I1698 HydrophobicContact CG1-CD1 3.59Å
1599	E	25.6	Very low	29.1	Very low	133 Å²	133	108.1 Å²	108.1	62%	0.621	60%	0.602	S	S	*	*			trans	-81.8	137.1	172.1	-67.4	170.8	110	0	0	111.1	T1542 T1618 T1619 F1620 I1698	T1542-E1599 VanDerWaalsContact CB-CG 3.45Å; T1542-E1599 VanDerWaalsContact CG2-CD 3.44Å; T1542-E1599 HydrophobicContact CG2-CG 3.67Å; T1542-E1599 WeakPolarHBondContact CG2-OE2 3.36Å; T1542-E1599 WeakPolarHBondContact OG1-CG 3.3Å; E1599-T1618 PolarHBondContact O-N 3.12Å; E1599-T1618 VanDerWaalsContact O-N 3.16Å; E1599-T1619 WeakPolarHBondContact OE1-CA 3.16Å; E1599-T1619 PolarHBondContact OE1-N 2.57Å; E1599-F1620 HydrophobicContact CB-CE1 4.2Å; E1599-F1620 VanDerWaalsContact CD-CE1 3.49Å; E1599-F1620 HydrophobicContact CG-CD1 4.05Å; E1599-F1620 HydrophobicContact CG-CE1 3.66Å; E1599-F1620 WeakPolarHBondContact OE1-CD1 3.32Å; E1599-F1620 PolarHBondContact OE1-N 3.41Å; E1599-F1620 WeakPolarHBondContact OE2-CD1 3.35Å; E1599-I1698 WeakPolarHBondContact O-CD1 3.38Å; E1599-I1698 WeakPolarHBondContact O-CG1 3.16Å
1600	N	27.5	Very low	28.9	Very low	107 Å²	107	109.8 Å²	109.8	57%	0.572	61%	0.607	S	S	*	*			trans	-125.4	74.7	175.6	-82	-59.8	0	0	0	111.9	E1523 N1524 T1525 S1526 T1527 P1540 V1598 S1602 L1615 P1616	E1523-N1600 PolarHBondContact O-ND2 2.68Å; N1524-N1600 PolarHBondContact OD1-ND2 2.69Å; N1524-N1600 VanDerWaalsContact OD1-ND2 3.12Å; T1525-N1600 HydrophobicContact CG2-CB 4.47Å; T1525-N1600 PolarHBondContact O-ND2 2.68Å; T1525-N1600 PolarHBondContact O-OD1 3.35Å; S1526-N1600 PolarHBondContact O-OD1 3.03Å; T1527-N1600 PolarHBondContact N-OD1 3.06Å; P1540-N1600 HydrophobicContact CB-CB 3.96Å; P1540-N1600 CarbonylContact O-C 3.19Å; P1540-N1600 VanDerWaalsContact O-CA 3.27Å; P1540-N1600 WeakPolarHBondContact O-CA 3.3Å; P1540-N1600 WeakPolarHBondContact O-CB 3.43Å; V1598-N1600 PolarHBondContact O-ND2 2.7Å; V1598-N1600 PolarHBondContact O-OD1 2.83Å; N1600-S1602 PolarHBondContact O-N 3.09Å; N1600-L1615 CarbonylContact O-C 3.54Å; N1600-P1616 VanDerWaalsContact C-CA 3.46Å; N1600-P1616 WeakPolarHBondContact O-CA 3.39Å; N1600-P1616 WeakPolarHBondContact O-CD 3.19Å; N1600-P1616 WeakPolarHBondContact O-CG 3.32Å
1601	T	25.4	Very low	28.5	Very low	102 Å²	102	110.5 Å²	110.5	63%	0.626	61%	0.611	S	S	*	*			trans	-101.7	135.5	165.1	-59.8	0	0	0	0	112	S1526 V1538 L1539 P1540 K1541 T1603 L1615 P1616 K1617	S1526-T1601 WeakPolarHBondContact CB-O 3.2Å; V1538-T1601 HydrophobicContact CG1-CG2 4.27Å; L1539-T1601 HydrophobicContact CB-CG2 4.22Å; L1539-T1601 WeakPolarHBondContact CB-OG1 3.44Å; L1539-T1601 WeakPolarHBondContact O-CB 3.47Å; L1539-T1601 VanDerWaalsContact O-CG2 3.25Å; L1539-T1601 WeakPolarHBondContact O-CG2 3.27Å; L1539-T1601 PolarHBondContact O-OG1 3.44Å; L1539-T1601 VanDerWaalsContact O-OG1 3.09Å; P1540-T1601 WeakPolarHBondContact O-CA 3.28Å; P1540-T1601 WeakPolarHBondContact O-CB 3.29Å; P1540-T1601 PolarHBondContact O-N 3.45Å; P1540-T1601 PolarHBondContact O-OG1 3.26Å; K1541-T1601 WeakPolarHBondContact CB-O 3.43Å; K1541-T1601 WeakPolarHBondContact CD-O 3.49Å; K1541-T1601 WeakPolarHBondContact CE-O 3.48Å; K1541-T1601 VanDerWaalsContact CG-N 3.29Å; K1541-T1601 WeakPolarHBondContact CG-O 3.13Å; T1601-T1603 HydrophobicContact CG2-CG2 4.43Å; T1601-L1615 CarbonylContact C-O 3.35Å; T1601-L1615 VanDerWaalsContact CA-C 3.43Å; T1601-L1615 WeakPolarHBondContact CA-O 3.44Å; T1601-L1615 WeakPolarHBondContact CB-O 3.47Å; T1601-L1615 VanDerWaalsContact CG2-O 3.25Å; T1601-L1615 WeakPolarHBondContact CG2-O 3.36Å; T1601-L1615 WeakPolarHBondContact OG1-CA 3.41Å; T1601-P1616 VanDerWaalsContact CA-CA 3.41Å; T1601-K1617 VanDerWaalsContact C-N 3.28Å
1602	S	26.3	Very low	28.4	Very low	93.6 Å²	93.6	107.5 Å²	107.5	66%	0.655	60%	0.604	S	S	*	*			trans	-128.7	131.7	173.6	-161.1	0	0	0	0	112.1	N1600 Q1604 V1614 L1615 P1616	N1600-S1602 PolarHBondContact O-N 3.09Å; S1602-Q1604 PolarHBondContact O-N 3.16Å; S1602-Q1604 VanDerWaalsContact O-N 3.1Å; S1602-V1614 WeakPolarHBondContact O-CB 3.11Å; S1602-V1614 WeakPolarHBondContact O-CG1 3.36Å; S1602-L1615 PolarHBondContact N-O 2.67Å; S1602-P1616 WeakPolarHBondContact CB-O 3.21Å
1603	T	26	Very low	28.2	Very low	117.8 Å²	117.8	109.9 Å²	109.9	72%	0.723	61%	0.614	S	S	*	*			trans	-111.1	135.7	164.1	15.5	0	0	0	0	111.4	S1526 T1527 Q1528 T1601 T1605	S1526-T1603 PolarHBondContact OG-OG1 2.89Å; S1526-T1603 VanDerWaalsContact OG-OG1 3.13Å; T1527-T1603 PolarHBondContact O-OG1 2.88Å; Q1528-T1603 HydrophobicContact CB-CG2 4.3Å; Q1528-T1603 HydrophobicContact CG-CG2 4.49Å; T1601-T1603 HydrophobicContact CG2-CG2 4.43Å; T1603-T1605 PolarHBondContact O-N 2.78Å
1604	Q	25.4	Very low	28.4	Very low	149.4 Å²	149.4	109.9 Å²	109.9	70%	0.698	61%	0.614	S	S	*	*			trans	-118.6	135	174.1	178.3	177.7	-13.9	0	0	112	P1536 S1602 V1614	P1536-Q1604 WeakPolarHBondContact CG-O 3.36Å; S1602-Q1604 PolarHBondContact O-N 3.16Å; S1602-Q1604 VanDerWaalsContact O-N 3.1Å; Q1604-V1614 HydrophobicContact CB-CG1 4.26Å; Q1604-V1614 HydrophobicContact CB-CG2 4.24Å
1605	T	28.2	Very low	28.8	Very low	119.2 Å²	119.2	109.5 Å²	109.5	73%	0.731	61%	0.613	S	S	*	*			trans	-116.4	150.1	170.3	-49.9	0	0	0	0	110.5	M1532 T1603	M1532-T1605 HydrophobicContact SD-CG2 3.64Å; M1532-T1605 PolarHBondContact SD-OG1 2.93Å; T1603-T1605 PolarHBondContact O-N 2.78Å
1606	D	27.4	Very low	29.2	Very low	113.2 Å²	113.2	104.1 Å²	104.1	61%	0.605	60%	0.6	S	S	*	*			trans	-76.7	143.7	-178.8	-144.7	-7.7	0	0	0	114.7	M1608 A1609 Q1610 V1611	D1606-M1608 VanDerWaalsContact C-N 3.25Å; D1606-M1608 PolarHBondContact O-N 3.09Å; D1606-M1608 VanDerWaalsContact OD1-C 3.31Å; D1606-M1608 PolarHBondContact OD1-N 2.72Å; D1606-M1608 PolarHBondContact OD2-N 3.15Å; D1606-A1609 PolarHBondContact OD1-N 2.69Å; D1606-A1609 VanDerWaalsContact OD1-N 3.1Å; D1606-A1609 WeakPolarHBondContact OD2-CA 3.48Å; D1606-A1609 PolarHBondContact OD2-N 3.09Å; D1606-Q1610 PolarHBondContact OD1-N 3.01Å; D1606-Q1610 PolarHBondContact OD2-N 2.77Å; D1606-V1611 HydrophobicContact CB-CG2 3.56Å
1607	P	31.6	Very low	29.6	Very low	112.8 Å²	112.8	103.7 Å²	103.7	73%	0.732	60%	0.597	S	S	*	*			trans	-110.7	112	157.2	37.6	-30.2	0	0	0	114.9	A1609	P1607-A1609 PolarHBondContact O-N 3.35Å
1608	M	28.6	Very low	30.6	Very low	159 Å²	159	102.4 Å²	102.4	78%	0.783	59%	0.585	S	S	*	*			trans	130.5	100.3	161.8	-89.8	175.4	59.4	0	0	114.3	P1531 D1606 Q1610	P1531-M1608 HydrophobicContact CG-CE 3.85Å; D1606-M1608 VanDerWaalsContact C-N 3.25Å; D1606-M1608 PolarHBondContact O-N 3.09Å; D1606-M1608 VanDerWaalsContact OD1-C 3.31Å; D1606-M1608 PolarHBondContact OD1-N 2.72Å; D1606-M1608 PolarHBondContact OD2-N 3.15Å; M1608-Q1610 PolarHBondContact O-NE2 2.83Å
1609	A	28.9	Very low	31.3	Very low	86.6 Å²	86.6	100.8 Å²	100.8	72%	0.716	58%	0.576	S	S	*	*			trans	83.8	94.7	158.1	0	0	0	0	0	115.6	D1606 P1607	D1606-A1609 PolarHBondContact OD1-N 2.69Å; D1606-A1609 VanDerWaalsContact OD1-N 3.1Å; D1606-A1609 WeakPolarHBondContact OD2-CA 3.48Å; D1606-A1609 PolarHBondContact OD2-N 3.09Å; P1607-A1609 PolarHBondContact O-N 3.35Å
1610	Q	28.3	Very low	32.7	Very low	132.8 Å²	132.8	98.1 Å²	98.1	62%	0.621	56%	0.562	S	S	*	*			trans	-90.7	114.8	151.9	-65.3	171.9	41.5	0	0	114.2	D1606 M1608 C1691	D1606-Q1610 PolarHBondContact OD1-N 3.01Å; D1606-Q1610 PolarHBondContact OD2-N 2.77Å; M1608-Q1610 PolarHBondContact O-NE2 2.83Å; Q1610-C1691 HydrophobicContact CB-CB 3.65Å; Q1610-C1691 HydrophobicContact CG-CB 4.05Å; Q1610-C1691 PolarHBondContact OE1-SG 3.23Å
1611	V	27.6	Very low	34.3	Very low	92 Å²	92	96.5 Å²	96.5	56%	0.558	55%	0.554	S	S	*	*			trans	-93.2	130.3	-177.3	177.3	0	0	0	0	111.2	Q1534 P1536 D1606 T1613	Q1534-V1611 HydrophobicContact CG-CG2 4.48Å; P1536-V1611 HydrophobicContact CB-CG1 4.24Å; P1536-V1611 HydrophobicContact CG-CG1 4.28Å; D1606-V1611 HydrophobicContact CB-CG2 3.56Å; V1611-T1613 PolarHBondContact O-N 3.44Å
1612	P	29.7	Very low	35.9	Very low	76 Å²	76	94.5 Å²	94.5	49%	0.494	54%	0.541	S	S	.	.			trans	-91.2	135.7	164.6	-3.6	18.7	0	0	0	112.7	P1536 V1614	P1536-P1612 WeakPolarHBondContact CA-O 3.12Å; P1612-V1614 HydrophobicContact CB-CG2 4.46Å; P1612-V1614 PolarHBondContact O-N 3.01Å
1613	T	26.5	Very low	37.6	Very low	95.2 Å²	95.2	91.7 Å²	91.7	58%	0.584	52%	0.52	S	S	*	.			trans	-72.6	112.8	170.3	-54.4	0	0	0	0	110.6	L1539 V1611 L1615	L1539-T1613 HydrophobicContact CD1-CG2 4.15Å; V1611-T1613 PolarHBondContact O-N 3.44Å; T1613-L1615 VanDerWaalsContact C-N 3.34Å; T1613-L1615 HydrophobicContact CG2-CD1 4.18Å; T1613-L1615 PolarHBondContact O-N 3.13Å
1614	V	34.1	Very low	39.1	Very low	87.8 Å²	87.8	88.8 Å²	88.8	53%	0.532	50%	0.502	S	S	.	.			trans	-95.1	126.9	176.7	-168.6	0	0	0	0	110	P1536 T1537 L1539 S1602 Q1604 P1612	P1536-V1614 HydrophobicContact CB-CG2 3.91Å; T1537-V1614 PolarHBondContact O-N 2.78Å; L1539-V1614 VanDerWaalsContact CD1-O 3.22Å; L1539-V1614 WeakPolarHBondContact CD1-O 3.28Å; L1539-V1614 WeakPolarHBondContact CG-O 3.42Å; S1602-V1614 WeakPolarHBondContact O-CB 3.11Å; S1602-V1614 WeakPolarHBondContact O-CG1 3.36Å; Q1604-V1614 HydrophobicContact CB-CG1 4.26Å; Q1604-V1614 HydrophobicContact CB-CG2 4.24Å; P1612-V1614 HydrophobicContact CB-CG2 4.46Å; P1612-V1614 PolarHBondContact O-N 3.01Å
1615	L	37.6	Very low	40.6	Very low	84.2 Å²	84.2	85.1 Å²	85.1	44%	0.441	49%	0.486	S	S	.	.			trans	-80.2	158.4	-179.2	-99.3	84.4	0	0	0	110.7	L1539 N1600 T1601 S1602 T1613 K1617 L1695 S1696	L1539-L1615 HydrophobicContact CD1-CD1 4.27Å; L1539-L1615 HydrophobicContact CD1-CD2 4.06Å; L1539-L1615 HydrophobicContact CD1-CG 4.23Å; N1600-L1615 CarbonylContact O-C 3.54Å; T1601-L1615 CarbonylContact C-O 3.35Å; T1601-L1615 VanDerWaalsContact CA-C 3.43Å; T1601-L1615 WeakPolarHBondContact CA-O 3.44Å; T1601-L1615 WeakPolarHBondContact CB-O 3.47Å; T1601-L1615 VanDerWaalsContact CG2-O 3.25Å; T1601-L1615 WeakPolarHBondContact CG2-O 3.36Å; T1601-L1615 WeakPolarHBondContact OG1-CA 3.41Å; S1602-L1615 PolarHBondContact N-O 2.67Å; T1613-L1615 VanDerWaalsContact C-N 3.34Å; T1613-L1615 HydrophobicContact CG2-CD1 4.18Å; T1613-L1615 PolarHBondContact O-N 3.13Å; L1615-K1617 PolarHBondContact O-N 2.96Å; L1615-L1695 HydrophobicContact CD1-CD2 4.19Å; L1615-L1695 HydrophobicContact CD2-CD2 4.03Å; L1615-L1695 HydrophobicContact CG-CD2 4.4Å; L1615-S1696 VanDerWaalsContact O-CB 3.29Å; L1615-S1696 WeakPolarHBondContact O-CB 3.21Å; L1615-S1696 PolarHBondContact O-OG 2.91Å
1616	P	37.3	Very low	41.6	Very low	58.2 Å²	58.2	82.2 Å²	82.2	38%	0.378	47%	0.47	S	S	.	.			trans	-63.6	139.1	-177.8	17.9	-21.3	0	0	0	114.1	L1539 P1540 N1600 T1601 S1602 T1618 S1696 I1698	L1539-P1616 HydrophobicContact CB-CB 4.26Å; L1539-P1616 HydrophobicContact CB-CG 3.88Å; P1540-P1616 WeakPolarHBondContact O-CB 3.45Å; N1600-P1616 VanDerWaalsContact C-CA 3.46Å; N1600-P1616 WeakPolarHBondContact O-CA 3.39Å; N1600-P1616 WeakPolarHBondContact O-CD 3.19Å; N1600-P1616 WeakPolarHBondContact O-CG 3.32Å; T1601-P1616 VanDerWaalsContact CA-CA 3.41Å; S1602-P1616 WeakPolarHBondContact CB-O 3.21Å; P1616-T1618 PolarHBondContact O-N 2.96Å; P1616-S1696 WeakPolarHBondContact O-CB 3.34Å; P1616-S1696 PolarHBondContact O-OG 3.43Å; P1616-I1698 HydrophobicContact CB-CG1 4.47Å
1617	K	39.4	Very low	42.8	Very low	100 Å²	100	78.5 Å²	78.5	44%	0.435	46%	0.458	S	S	.	.			trans	-109.5	110.7	158.9	-170.2	175.3	174.7	173.4	0	110.3	K1541 T1601 L1615 T1619 S1697 T1699 D1701	K1541-K1617 WeakPolarHBondContact CD-O 3.48Å; K1541-K1617 WeakPolarHBondContact CE-O 3.34Å; K1541-K1617 VanDerWaalsContact CG-O 3.29Å; K1541-K1617 WeakPolarHBondContact CG-O 3.33Å; T1601-K1617 VanDerWaalsContact C-N 3.28Å; L1615-K1617 PolarHBondContact O-N 2.96Å; K1617-T1619 HydrophobicContact CD-CG2 4.22Å; K1617-T1619 HydrophobicContact CG-CG2 4.01Å; K1617-S1697 WeakPolarHBondContact CA-O 3.19Å; K1617-S1697 WeakPolarHBondContact CB-O 3.39Å; K1617-S1697 WeakPolarHBondContact CE-O 3.4Å; K1617-T1699 VanDerWaalsContact CE-CG2 3.47Å; K1617-T1699 WeakPolarHBondContact CE-OG1 3.24Å; K1617-T1699 VanDerWaalsContact NZ-CG2 3.26Å; K1617-T1699 PolarHBondContact NZ-OG1 3.13Å; K1617-D1701 WeakPolarHBondContact CE-OD1 3.28Å; K1617-D1701 IonicContact NZ-OD1 2.74Å; K1617-D1701 PolarHBondContact NZ-OD1 2.8Å; K1617-D1701 IonicContact NZ-OD2 2.83Å; K1617-D1701 PolarHBondContact NZ-OD2 3.3Å
1618	T	49.2	Very low	43.8	Very low	50 Å²	50	75.9 Å²	75.9	31%	0.307	44%	0.44	S	S	.	.			trans	-74.9	135.7	163.7	-38.7	0	0	0	0	110.5	K1541 F1544 E1599 P1616 F1620 I1698 T1699	K1541-T1618 WeakPolarHBondContact CE-O 3.03Å; F1544-T1618 HydrophobicContact CD2-CG2 4.26Å; F1544-T1618 HydrophobicContact CE2-CG2 4.23Å; E1599-T1618 PolarHBondContact O-N 3.12Å; E1599-T1618 VanDerWaalsContact O-N 3.16Å; P1616-T1618 PolarHBondContact O-N 2.96Å; T1618-F1620 HydrophobicContact CG2-CB 4.1Å; T1618-F1620 HydrophobicContact CG2-CD1 3.63Å; T1618-F1620 HydrophobicContact CG2-CD2 4Å; T1618-F1620 HydrophobicContact CG2-CE1 4.24Å; T1618-F1620 HydrophobicContact CG2-CE2 3.54Å; T1618-F1620 VanDerWaalsContact CG2-CE2 3.46Å; T1618-F1620 HydrophobicContact CG2-CG 3.37Å; T1618-F1620 HydrophobicContact CG2-CZ 3.74Å; T1618-I1698 WeakPolarHBondContact OG1-CA 3.46Å; T1618-I1698 VanDerWaalsContact OG1-CG2 3.3Å; T1618-I1698 WeakPolarHBondContact OG1-CG2 2.9Å; T1618-T1699 PolarHBondContact OG1-N 2.83Å
1619	T	47.2	Very low	44.7	Very low	48 Å²	48	70.8 Å²	70.8	29%	0.294	42%	0.418	S	S	.	.			trans	-140.8	125.3	150.5	53	0	0	0	0	112	K1541 T1542 T1543 F1544 E1599 K1617	K1541-T1619 VanDerWaalsContact CE-OG1 3.26Å; K1541-T1619 WeakPolarHBondContact CE-OG1 3.42Å; K1541-T1619 PolarHBondContact NZ-OG1 2.88Å; T1542-T1619 PolarHBondContact O-OG1 3.28Å; T1543-T1619 WeakPolarHBondContact CA-O 3.15Å; T1543-T1619 WeakPolarHBondContact CB-O 3.25Å; T1543-T1619 WeakPolarHBondContact CG2-O 3.11Å; T1543-T1619 WeakPolarHBondContact CG2-OG1 3.42Å; F1544-T1619 PolarHBondContact N-O 2.95Å; F1544-T1619 VanDerWaalsContact N-O 3.1Å; E1599-T1619 WeakPolarHBondContact OE1-CA 3.16Å; E1599-T1619 PolarHBondContact OE1-N 2.57Å; K1617-T1619 HydrophobicContact CD-CG2 4.22Å; K1617-T1619 HydrophobicContact CG-CG2 4.01Å
1620	F	54.5	Low	45.9	Very low	74.4 Å²	74.4	70.1 Å²	70.1	33%	0.326	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	133	172.5	-54.8	-73.6	0	0	0	111.4	F1544 V1547 S1597 E1599 T1618 V1623 I1698 T1699 Y1700 D1701	F1544-F1620 HydrophobicContact CB-CD1 3.81Å; F1544-F1620 HydrophobicContact CB-CE1 4.24Å; F1544-F1620 AromaticContact CD2-CD1 3.72Å; F1544-F1620 HydrophobicContact CD2-CD1 3.72Å; F1544-F1620 AromaticContact CD2-CE1 3.31Å; F1544-F1620 HydrophobicContact CD2-CE1 3.31Å; F1544-F1620 AromaticContact CD2-CZ 3.97Å; F1544-F1620 HydrophobicContact CD2-CZ 4.02Å; F1544-F1620 HydrophobicContact CE2-CD1 4.47Å; F1544-F1620 AromaticContact CE2-CE1 3.77Å; F1544-F1620 HydrophobicContact CE2-CE1 3.77Å; F1544-F1620 HydrophobicContact CE2-CZ 4.19Å; F1544-F1620 AromaticContact CG-CD1 3.97Å; F1544-F1620 HydrophobicContact CG-CD1 4Å; F1544-F1620 AromaticContact CG-CE1 3.9Å; F1544-F1620 HydrophobicContact CG-CE1 3.9Å; F1544-F1620 VanDerWaalsContact O-CA 3.28Å; F1544-F1620 WeakPolarHBondContact O-CA 3.39Å; V1547-F1620 HydrophobicContact CG2-CB 4.23Å; V1547-F1620 HydrophobicContact CG2-CD1 3.77Å; V1547-F1620 HydrophobicContact CG2-CE1 4.04Å; S1597-F1620 WeakPolarHBondContact O-CE1 3.49Å; S1597-F1620 WeakPolarHBondContact O-CZ 3.25Å; S1597-F1620 WeakPolarHBondContact OG-CE1 3.45Å; E1599-F1620 HydrophobicContact CB-CE1 4.2Å; E1599-F1620 VanDerWaalsContact CD-CE1 3.49Å; E1599-F1620 HydrophobicContact CG-CD1 4.05Å; E1599-F1620 HydrophobicContact CG-CE1 3.66Å; E1599-F1620 WeakPolarHBondContact OE1-CD1 3.32Å; E1599-F1620 PolarHBondContact OE1-N 3.41Å; E1599-F1620 WeakPolarHBondContact OE2-CD1 3.35Å; T1618-F1620 HydrophobicContact CG2-CB 4.1Å; T1618-F1620 HydrophobicContact CG2-CD1 3.63Å; T1618-F1620 HydrophobicContact CG2-CD2 4Å; T1618-F1620 HydrophobicContact CG2-CE1 4.24Å; T1618-F1620 HydrophobicContact CG2-CE2 3.54Å; T1618-F1620 VanDerWaalsContact CG2-CE2 3.46Å; T1618-F1620 HydrophobicContact CG2-CG 3.37Å; T1618-F1620 HydrophobicContact CG2-CZ 3.74Å; F1620-V1623 HydrophobicContact CB-CG2 3.92Å; F1620-V1623 HydrophobicContact CD1-CG2 4.44Å; F1620-V1623 HydrophobicContact CG-CG2 4.29Å; F1620-I1698 HydrophobicContact CD2-CG2 4.33Å; F1620-I1698 HydrophobicContact CE2-CG2 4.28Å; F1620-I1698 HydrophobicContact CZ-CG2 4.36Å; F1620-T1699 WeakPolarHBondContact CD2-O 3.41Å; F1620-T1699 WeakPolarHBondContact CE2-O 3.48Å; F1620-T1699 PolarHBondContact N-O 3.25Å; F1620-Y1700 HydrophobicContact CB-CD1 3.81Å; F1620-Y1700 HydrophobicContact CB-CE1 4.15Å; F1620-Y1700 AromaticContact CD2-CD1 3.78Å; F1620-Y1700 HydrophobicContact CD2-CD1 3.78Å; F1620-Y1700 AromaticContact CD2-CE1 3.32Å; F1620-Y1700 HydrophobicContact CD2-CE1 3.49Å; F1620-Y1700 AromaticContact CD2-CZ 3.91Å; F1620-Y1700 HydrophobicContact CE1-CE1 4.42Å; F1620-Y1700 AromaticContact CE2-CD1 3.29Å; F1620-Y1700 HydrophobicContact CE2-CD1 3.29Å; F1620-Y1700 HydrophobicContact CE2-CD2 4.45Å; F1620-Y1700 AromaticContact CE2-CE1 3.66Å; F1620-Y1700 HydrophobicContact CE2-CE1 3.66Å; F1620-Y1700 HydrophobicContact CE2-CE2 4.39Å; F1620-Y1700 AromaticContact CE2-CG 3.92Å; F1620-Y1700 HydrophobicContact CE2-CG 3.92Å; F1620-Y1700 AromaticContact CE2-CZ 3.85Å; F1620-Y1700 AromaticContact CG-CD1 3.96Å; F1620-Y1700 HydrophobicContact CG-CD1 4.02Å; F1620-Y1700 AromaticContact CG-CE1 3.83Å; F1620-Y1700 HydrophobicContact CG-CE1 3.83Å; F1620-Y1700 HydrophobicContact CZ-CD1 4.05Å; F1620-Y1700 AromaticContact CZ-CE1 3.5Å; F1620-Y1700 HydrophobicContact CZ-CE1 3.98Å; F1620-Y1700 VanDerWaalsContact CZ-CE1 3.5Å; F1620-Y1700 AromaticContact CZ-CZ 3.78Å; F1620-Y1700 WeakPolarHBondContact O-CA 3.46Å; F1620-D1701 PolarHBondContact O-N 3.11Å; F1620-D1701 VanDerWaalsContact O-N 3.13Å
1621	D	61.2	Low	46.9	Very low	74 Å²	74	65.6 Å²	65.6	40%	0.396	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	144.7	162.9	-146.5	-37.2	0	0	0	108.1	F1544 D1545 V1546 V1547 D1701 V1702	F1544-D1621 PolarHBondContact O-N 3.43Å; F1544-D1621 VanDerWaalsContact O-N 3.11Å; D1545-D1621 VanDerWaalsContact O-CB 3.31Å; D1545-D1621 WeakPolarHBondContact O-CB 3.18Å; D1545-D1621 PolarHBondContact O-N 3.38Å; V1546-D1621 WeakPolarHBondContact CA-OD1 3.06Å; V1546-D1621 PolarHBondContact N-O 3.02Å; V1546-D1621 VanDerWaalsContact N-O 3.08Å; V1547-D1621 HydrophobicContact CB-CB 3.78Å; V1547-D1621 WeakPolarHBondContact CG1-O 2.93Å; V1547-D1621 HydrophobicContact CG2-CB 4.25Å; V1547-D1621 PolarHBondContact N-OD1 2.78Å; D1621-D1701 WeakPolarHBondContact O-CB 3.46Å; D1621-D1701 PolarHBondContact O-N 2.78Å; D1621-V1702 PolarHBondContact O-N 3.36Å
1622	V	59.7	Low	47.6	Very low	59.8 Å²	59.8	62.9 Å²	62.9	36%	0.362	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	115.8	-169.7	-175.5	0	0	0	0	112.1	D1545 V1546 V1547 Q1549 T1624 D1701 V1702 Q1703	D1545-V1622 PolarHBondContact O-N 3.02Å; V1546-V1622 WeakPolarHBondContact CA-O 3.09Å; V1546-V1622 HydrophobicContact CB-CG2 4.48Å; V1546-V1622 HydrophobicContact CG1-CB 4.4Å; V1546-V1622 HydrophobicContact CG2-CB 4.37Å; V1546-V1622 WeakPolarHBondContact O-CA 3.37Å; V1547-V1622 WeakPolarHBondContact CG1-O 3.02Å; V1547-V1622 PolarHBondContact N-O 3.45Å; Q1549-V1622 PolarHBondContact NE2-O 3.39Å; V1622-T1624 PolarHBondContact O-N 2.8Å; V1622-D1701 PolarHBondContact N-O 3.13Å; V1622-D1701 VanDerWaalsContact N-O 3.07Å; V1622-V1702 HydrophobicContact CB-CG2 4.45Å; V1622-V1702 HydrophobicContact CG1-CB 4.31Å; V1622-V1702 HydrophobicContact CG1-CG1 3.78Å; V1622-V1702 HydrophobicContact CG2-CB 4.25Å; V1622-V1702 HydrophobicContact CG2-CG1 4.1Å; V1622-V1702 WeakPolarHBondContact O-CA 3.33Å; V1622-Q1703 PolarHBondContact O-N 2.95Å; V1622-Q1703 VanDerWaalsContact O-N 3.14Å
1623	V	60.8	Low	48.1	Very low	35 Å²	35	64.6 Å²	64.6	21%	0.212	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	120.7	175	178	0	0	0	0	110.4	V1546 V1547 T1548 R1595 F1620 Q1625 Y1700 V1702 Q1703 I1704	V1546-V1623 PolarHBondContact O-N 2.94Å; V1547-V1623 HydrophobicContact CB-CG2 4.48Å; V1547-V1623 HydrophobicContact CG1-CG2 4.33Å; V1547-V1623 WeakPolarHBondContact O-CA 3.41Å; T1548-V1623 PolarHBondContact N-O 2.78Å; R1595-V1623 HydrophobicContact CB-CB 4.42Å; R1595-V1623 HydrophobicContact CB-CG1 3.7Å; R1595-V1623 HydrophobicContact CB-CG2 3.95Å; R1595-V1623 HydrophobicContact CG-CG2 4.27Å; F1620-V1623 HydrophobicContact CB-CG2 3.92Å; F1620-V1623 HydrophobicContact CD1-CG2 4.44Å; F1620-V1623 HydrophobicContact CG-CG2 4.29Å; V1623-Q1625 HydrophobicContact CG1-CG 4.29Å; V1623-Y1700 HydrophobicContact CB-CD1 4.24Å; V1623-Y1700 HydrophobicContact CG2-CD1 3.69Å; V1623-Y1700 HydrophobicContact CG2-CE1 3.97Å; V1623-V1702 PolarHBondContact N-O 3.41Å; V1623-Q1703 HydrophobicContact CB-CG 4.31Å; V1623-Q1703 HydrophobicContact CG1-CG 3.99Å; V1623-Q1703 CarbonylContact O-C 3.39Å; V1623-Q1703 WeakPolarHBondContact O-CA 3.39Å; V1623-I1704 PolarHBondContact O-N 2.88Å
1624	T	58.1	Low	48.8	Very low	56.4 Å²	56.4	62.1 Å²	62.1	35%	0.346	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	118.6	177.4	-58.6	0	0	0	0	110.8	V1547 T1548 Q1549 T1593 V1622 Q1703 I1704 Q1705	V1547-T1624 PolarHBondContact O-N 3.39Å; T1548-T1624 CarbonylContact C-O 3.58Å; T1548-T1624 WeakPolarHBondContact CA-O 3.17Å; T1548-T1624 WeakPolarHBondContact O-CA 3.1Å; Q1549-T1624 WeakPolarHBondContact CG-O 3.17Å; Q1549-T1624 PolarHBondContact N-O 3.26Å; T1593-T1624 WeakPolarHBondContact CB-O 3.07Å; T1593-T1624 PolarHBondContact OG1-O 2.79Å; V1622-T1624 PolarHBondContact O-N 2.8Å; T1624-Q1703 PolarHBondContact N-O 2.97Å; T1624-I1704 CarbonylContact C-O 3.46Å; T1624-I1704 WeakPolarHBondContact CA-O 3.33Å; T1624-I1704 HydrophobicContact CG2-CB 4.22Å; T1624-I1704 HydrophobicContact CG2-CG2 4.22Å; T1624-I1704 WeakPolarHBondContact O-CA 3.4Å; T1624-Q1705 PolarHBondContact O-N 3.03Å
1625	Q	56	Low	49	Very low	73.4 Å²	73.4	61.5 Å²	61.5	34%	0.343	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	135.5	177.4	-59.4	-172.4	15.9	0	0	110.9	T1548 Q1549 S1550 T1593 M1594 V1623 I1704 Q1705 S1706	T1548-Q1625 PolarHBondContact O-N 2.88Å; Q1549-Q1625 WeakPolarHBondContact CA-O 3.34Å; Q1549-Q1625 HydrophobicContact CG-CB 4.43Å; S1550-Q1625 PolarHBondContact N-O 3.11Å; S1550-Q1625 PolarHBondContact OG-O 2.88Å; T1593-Q1625 CarbonylContact O-C 3.36Å; T1593-Q1625 WeakPolarHBondContact O-CA 3.27Å; M1594-Q1625 VanDerWaalsContact CB-OE1 3.24Å; V1623-Q1625 HydrophobicContact CG1-CG 4.29Å; Q1625-I1704 PolarHBondContact N-O 3.07Å; Q1625-Q1705 WeakPolarHBondContact CA-O 3.07Å; Q1625-Q1705 HydrophobicContact CB-CB 4.17Å; Q1625-Q1705 HydrophobicContact CB-CG 4.18Å; Q1625-Q1705 HydrophobicContact CG-CG 4.21Å; Q1625-Q1705 VanDerWaalsContact NE2-CD 3.3Å; Q1625-Q1705 CarbonylContact O-C 3.39Å; Q1625-Q1705 VanDerWaalsContact O-C 3.26Å; Q1625-Q1705 VanDerWaalsContact O-CA 3.23Å; Q1625-Q1705 WeakPolarHBondContact O-CA 3.36Å; Q1625-S1706 PolarHBondContact O-N 2.86Å; Q1625-S1706 VanDerWaalsContact O-N 3.09Å
1626	S	51	Low	49	Very low	57.6 Å²	57.6	61.3 Å²	61.3	40%	0.403	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	117.2	177.5	147.2	0	0	0	0	112	Q1549 S1550 G1551 A1592 T1593 Q1705 S1706 G1707	Q1549-S1626 PolarHBondContact O-N 3.09Å; Q1549-S1626 PolarHBondContact O-OG 3.16Å; S1550-S1626 WeakPolarHBondContact CA-O 3.31Å; S1550-S1626 WeakPolarHBondContact CA-OG 3.36Å; S1550-S1626 WeakPolarHBondContact CB-OG 3.49Å; S1550-S1626 WeakPolarHBondContact O-CA 3.32Å; S1550-S1626 VanDerWaalsContact O-CB 3.28Å; S1550-S1626 WeakPolarHBondContact O-CB 3.37Å; S1550-S1626 PolarHBondContact O-OG 2.94Å; S1550-S1626 WeakPolarHBondContact OG-CA 3.39Å; S1550-S1626 WeakPolarHBondContact OG-CB 3.16Å; S1550-S1626 PolarHBondContact OG-OG 3.09Å; G1551-S1626 PolarHBondContact N-O 3.15Å; G1551-S1626 VanDerWaalsContact N-O 3.08Å; A1592-S1626 WeakPolarHBondContact CB-O 3.26Å; T1593-S1626 PolarHBondContact N-O 2.78Å; T1593-S1626 VanDerWaalsContact N-O 3.13Å; T1593-S1626 CarbonylContact O-C 3.26Å; T1593-S1626 PolarHBondContact O-N 2.79Å; T1593-S1626 PolarHBondContact OG1-N 2.87Å; S1626-Q1705 PolarHBondContact N-O 2.78Å; S1626-Q1705 VanDerWaalsContact N-O 3.11Å; S1626-S1706 CarbonylContact C-O 3.59Å; S1626-S1706 WeakPolarHBondContact CA-O 3.3Å; S1626-S1706 WeakPolarHBondContact O-CA 3.41Å; S1626-S1706 VanDerWaalsContact O-CB 3.28Å; S1626-S1706 WeakPolarHBondContact O-CB 3.34Å; S1626-S1706 PolarHBondContact O-OG 2.77Å; S1626-S1706 WeakPolarHBondContact OG-CB 3.04Å; S1626-S1706 PolarHBondContact OG-OG 3.4Å; S1626-G1707 PolarHBondContact O-N 2.92Å
1627	G	52.3	Low	48.8	Very low	35 Å²	35	61.7 Å²	61.7	36%	0.361	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	141.8	176.1	0	0	0	0	0	112.7	S1550 G1551 T1552 S1706 G1707 V1708	S1550-G1627 PolarHBondContact O-N 3.06Å; S1550-G1627 VanDerWaalsContact O-N 3.16Å; G1551-G1627 WeakPolarHBondContact CA-O 3.32Å; G1551-G1627 CarbonylContact O-C 3.57Å; G1551-G1627 WeakPolarHBondContact O-CA 3.26Å; T1552-G1627 PolarHBondContact N-O 3.29Å; G1627-S1706 PolarHBondContact N-O 3.07Å; G1627-G1707 WeakPolarHBondContact CA-O 3.38Å; G1627-G1707 CarbonylContact O-C 3.53Å; G1627-G1707 VanDerWaalsContact O-CA 3.31Å; G1627-G1707 WeakPolarHBondContact O-CA 3.18Å; G1627-V1708 PolarHBondContact O-N 3.15Å
1628	T	51.2	Low	48.5	Very low	57.8 Å²	57.8	61.5 Å²	61.5	36%	0.355	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	120.1	175.6	-58.1	0	0	0	0	109.9	G1551 T1552 V1553 V1590 H1630 G1707 V1708 I1709	G1551-T1628 PolarHBondContact O-N 3.26Å; T1552-T1628 CarbonylContact C-O 3.6Å; T1552-T1628 WeakPolarHBondContact CA-O 3.46Å; T1552-T1628 WeakPolarHBondContact O-CA 3.42Å; V1553-T1628 PolarHBondContact N-O 3.09Å; V1590-T1628 HydrophobicContact CG1-CG2 4.2Å; V1590-T1628 HydrophobicContact CG2-CG2 3.89Å; T1628-H1630 WeakPolarHBondContact CG2-NE2 2.98Å; T1628-G1707 PolarHBondContact N-O 2.83Å; T1628-G1707 VanDerWaalsContact N-O 3.12Å; T1628-V1708 WeakPolarHBondContact CA-O 3.39Å; T1628-V1708 HydrophobicContact CG2-CB 4.42Å; T1628-V1708 WeakPolarHBondContact O-CA 3.37Å; T1628-I1709 PolarHBondContact O-N 2.94Å; T1628-I1709 VanDerWaalsContact O-N 3.16Å
1629	V	49.3	Very low	47.8	Very low	52.8 Å²	52.8	62.9 Å²	62.9	32%	0.32	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	123.4	-174.7	179.5	0	0	0	0	110.3	T1552 V1553 H1554 Q1560 V1576 C1631 V1708 I1709 H1710	T1552-V1629 PolarHBondContact O-N 3.26Å; V1553-V1629 VanDerWaalsContact CA-O 3.26Å; V1553-V1629 WeakPolarHBondContact CA-O 3.18Å; V1553-V1629 HydrophobicContact CG2-CB 4.47Å; H1554-V1629 PolarHBondContact N-O 2.97Å; H1554-V1629 VanDerWaalsContact N-O 3.14Å; Q1560-V1629 HydrophobicContact CG-CG1 4.03Å; V1576-V1629 HydrophobicContact CB-CG1 4.14Å; V1576-V1629 HydrophobicContact CG1-CB 4.23Å; V1576-V1629 HydrophobicContact CG1-CG1 3.62Å; V1629-C1631 HydrophobicContact CG1-CB 4.36Å; V1629-V1708 WeakPolarHBondContact CB-O 3.36Å; V1629-V1708 WeakPolarHBondContact CG2-O 3.34Å; V1629-V1708 PolarHBondContact N-O 2.84Å; V1629-I1709 HydrophobicContact CG2-CG1 4.22Å; V1629-H1710 WeakPolarHBondContact CG1-NE2 3.38Å; V1629-H1710 PolarHBondContact O-N 3.09Å
1630	H	52.6	Low	47	Very low	71.4 Å²	71.4	65.1 Å²	65.1	33%	0.331	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	122.9	162.1	-109	-65.4	0	0	0	111	L1500 D1501 H1502 V1553 H1554 C1555 L1578 T1628 I1709 H1710	L1500-H1630 CarbonylContact C-O 3.59Å; L1500-H1630 VanDerWaalsContact C-O 3.29Å; L1500-H1630 WeakPolarHBondContact CA-O 3.39Å; L1500-H1630 HydrophobicContact CD2-CB 3.91Å; L1500-H1630 WeakPolarHBondContact CD2-O 3.09Å; D1501-H1630 PolarHBondContact N-O 3.09Å; D1501-H1630 CarbonylContact O-C 3.12Å; D1501-H1630 WeakPolarHBondContact O-CB 3.33Å; H1502-H1630 HydrophobicContact CB-CB 4.2Å; H1502-H1630 AromaticContact ND1-CD2 3.8Å; V1553-H1630 VanDerWaalsContact CG1-CD2 3.44Å; V1553-H1630 WeakPolarHBondContact CG1-CD2 2.89Å; V1553-H1630 WeakPolarHBondContact CG1-NE2 3.48Å; V1553-H1630 PolarHBondContact O-N 2.98Å; H1554-H1630 WeakPolarHBondContact CA-O 3.08Å; H1554-H1630 AromaticContact CE1-CD2 3.27Å; H1554-H1630 PolarHBondContact CE1-CD2 3.2Å; H1554-H1630 AromaticContact CE1-CG 3.81Å; H1554-H1630 AromaticContact CE1-NE2 3.86Å; H1554-H1630 AromaticContact CG-CD2 3.84Å; H1554-H1630 PolarHBondContact N-CD2 2.85Å; H1554-H1630 AromaticContact ND1-CD2 3.45Å; H1554-H1630 PolarHBondContact ND1-CD2 2.97Å; H1554-H1630 VanDerWaalsContact ND1-CD2 3.29Å; H1554-H1630 AromaticContact ND1-CG 3.75Å; H1554-H1630 AromaticContact ND1-NE2 3.17Å; H1554-H1630 PolarHBondContact ND1-NE2 2.98Å; H1554-H1630 VanDerWaalsContact ND1-NE2 3.17Å; H1554-H1630 WeakPolarHBondContact O-CA 3.18Å; H1554-H1630 WeakPolarHBondContact O-CB 3.44Å; C1555-H1630 PolarHBondContact N-ND1 2.84Å; C1555-H1630 PolarHBondContact N-O 3Å; C1555-H1630 PolarHBondContact O-CE1 2.87Å; C1555-H1630 PolarHBondContact O-ND1 2.85Å; C1555-H1630 PolarHBondContact SG-O 3.05Å; L1578-H1630 HydrophobicContact CB-CB 3.87Å; L1578-H1630 WeakPolarHBondContact CD1-ND1 3.18Å; T1628-H1630 WeakPolarHBondContact CG2-NE2 2.98Å; H1630-I1709 PolarHBondContact N-O 3.39Å; H1630-H1710 VanDerWaalsContact C-ND1 3.35Å; H1630-H1710 VanDerWaalsContact CA-CD2 3.46Å; H1630-H1710 WeakPolarHBondContact CA-CD2 3.39Å; H1630-H1710 WeakPolarHBondContact CA-ND1 3.22Å; H1630-H1710 AromaticContact CE1-CD2 3.25Å; H1630-H1710 PolarHBondContact CE1-CD2 2.82Å; H1630-H1710 AromaticContact CE1-CG 3.76Å; H1630-H1710 AromaticContact CE1-NE2 3.77Å; H1630-H1710 AromaticContact CG-CE1 4Å; H1630-H1710 AromaticContact CG-ND1 3.79Å; H1630-H1710 PolarHBondContact N-CD2 3.1Å; H1630-H1710 PolarHBondContact N-NE2 2.84Å; H1630-H1710 AromaticContact ND1-CD2 3.49Å; H1630-H1710 PolarHBondContact ND1-CD2 3.43Å; H1630-H1710 AromaticContact ND1-CG 3.6Å; H1630-H1710 AromaticContact ND1-ND1 3.82Å; H1630-H1710 WeakPolarHBondContact O-CB 3.41Å
1631	C	48.8	Very low	45.8	Very low	38.4 Å²	38.4	67.9 Å²	67.9	26%	0.259	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	150.7	167.9	-174.4	0	0	0	0	111.3	D1501 H1554 C1555 A1556 V1576 D1577 L1578 T1579 V1629 Q1633 S1634 H1710 S1711	D1501-C1631 WeakPolarHBondContact O-CA 3.48Å; D1501-C1631 PolarHBondContact O-N 3.08Å; D1501-C1631 PolarHBondContact OD2-SG 3.26Å; H1554-C1631 PolarHBondContact O-N 2.93Å; H1554-C1631 VanDerWaalsContact O-N 3.1Å; C1555-C1631 WeakPolarHBondContact O-CA 3.33Å; C1555-C1631 WeakPolarHBondContact SG-CB 3.39Å; A1556-C1631 PolarHBondContact N-O 2.98Å; V1576-C1631 VanDerWaalsContact C-CB 3.48Å; V1576-C1631 HydrophobicContact CB-CB 4.24Å; V1576-C1631 WeakPolarHBondContact O-CA 3.47Å; V1576-C1631 WeakPolarHBondContact O-CB 3.25Å; V1576-C1631 PolarHBondContact O-N 2.9Å; D1577-C1631 WeakPolarHBondContact CA-O 3.49Å; L1578-C1631 CarbonylContact C-O 3.26Å; L1578-C1631 PolarHBondContact N-O 3.4Å; T1579-C1631 WeakPolarHBondContact CB-O 3.23Å; T1579-C1631 PolarHBondContact N-O 2.81Å; T1579-C1631 PolarHBondContact OG1-O 2.72Å; V1629-C1631 HydrophobicContact CG1-CB 4.36Å; C1631-Q1633 WeakPolarHBondContact CB-O 3.35Å; C1631-S1634 WeakPolarHBondContact SG-CB 3.3Å; C1631-S1634 PolarHBondContact SG-OG 3.35Å; C1631-H1710 PolarHBondContact N-ND1 2.87Å; C1631-H1710 PolarHBondContact N-O 3.27Å; C1631-H1710 PolarHBondContact SG-O 3.4Å; C1631-S1711 VanDerWaalsContact SG-CB 3.6Å
1632	A	43.2	Very low	44.3	Very low	35.6 Å²	35.6	70.5 Å²	70.5	29%	0.294	39%	0.39	S	S	.	.	S	Bend	trans	-118.1	103.9	171.8	0	0	0	0	0	112.2	D1501 T1503 A1556 Q1557 D1577 T1579 S1711 V1712 D1713	D1501-A1632 HydrophobicContact CB-CB 3.57Å; D1501-A1632 WeakPolarHBondContact OD2-CB 3.49Å; D1501-A1632 PolarHBondContact OD2-N 2.61Å; T1503-A1632 HydrophobicContact CG2-CB 4.42Å; A1556-A1632 WeakPolarHBondContact O-CA 3.41Å; A1556-A1632 WeakPolarHBondContact O-CB 3.2Å; A1556-A1632 PolarHBondContact O-N 3.42Å; A1556-A1632 VanDerWaalsContact O-N 3.07Å; Q1557-A1632 PolarHBondContact N-O 2.8Å; D1577-A1632 WeakPolarHBondContact OD2-CA 3.16Å; T1579-A1632 HydrophobicContact CG2-CB 3.73Å; A1632-S1711 PolarHBondContact N-O 3.41Å; A1632-V1712 HydrophobicContact CB-CB 4.09Å; A1632-V1712 HydrophobicContact CB-CG1 4.39Å; A1632-V1712 HydrophobicContact CB-CG2 4.24Å; A1632-V1712 WeakPolarHBondContact O-CA 3.36Å; A1632-V1712 WeakPolarHBondContact O-CG2 3.29Å; A1632-V1712 PolarHBondContact O-N 3.02Å; A1632-D1713 PolarHBondContact O-N 2.69Å
1633	Q	40	Very low	43	Very low	111.8 Å²	111.8	71.5 Å²	71.5	52%	0.522	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	142.4	174.6	-62.7	-178.4	-44.8	0	0	110.9	A1556 Q1557 S1558 G1575 V1576 D1577 C1631 D1713	A1556-Q1633 PolarHBondContact O-N 2.96Å; Q1557-Q1633 WeakPolarHBondContact CA-O 3.41Å; Q1557-Q1633 HydrophobicContact CB-CG 4.39Å; Q1557-Q1633 HydrophobicContact CG-CB 4.39Å; Q1557-Q1633 WeakPolarHBondContact O-CA 3.21Å; S1558-Q1633 PolarHBondContact N-O 2.89Å; S1558-Q1633 VanDerWaalsContact N-O 3.14Å; G1575-Q1633 CarbonylContact C-O 3.44Å; G1575-Q1633 VanDerWaalsContact CA-O 3.24Å; G1575-Q1633 WeakPolarHBondContact CA-O 3.27Å; V1576-Q1633 PolarHBondContact N-O 3.11Å; D1577-Q1633 PolarHBondContact N-O 3.35Å; C1631-Q1633 WeakPolarHBondContact CB-O 3.35Å; Q1633-D1713 HydrophobicContact CG-CB 4.16Å; Q1633-D1713 PolarHBondContact NE2-OD1 2.65Å; Q1633-D1713 PolarHBondContact O-N 2.97Å
1634	S	40.9	Very low	41.5	Very low	41.6 Å²	41.6	75.3 Å²	75.3	29%	0.291	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	149	169.4	43.8	0	0	0	0	112.3	Q1557 S1558 V1559 G1575 D1577 C1631 S1711 V1712 D1713 G1714	Q1557-S1634 PolarHBondContact O-N 2.77Å; S1558-S1634 CarbonylContact C-O 3.52Å; S1558-S1634 WeakPolarHBondContact CA-O 3.47Å; S1558-S1634 WeakPolarHBondContact OG-CB 3.29Å; V1559-S1634 PolarHBondContact N-O 2.87Å; G1575-S1634 WeakPolarHBondContact O-CA 3.29Å; D1577-S1634 WeakPolarHBondContact CB-OG 2.99Å; C1631-S1634 WeakPolarHBondContact SG-CB 3.3Å; C1631-S1634 PolarHBondContact SG-OG 3.35Å; S1634-S1711 VanDerWaalsContact CB-OG 3.23Å; S1634-S1711 WeakPolarHBondContact CB-OG 3.34Å; S1634-V1712 PolarHBondContact OG-N 2.83Å; S1634-D1713 VanDerWaalsContact CB-C 3.42Å; S1634-D1713 VanDerWaalsContact CB-CA 3.49Å; S1634-D1713 WeakPolarHBondContact CB-O 3.49Å; S1634-D1713 WeakPolarHBondContact OG-CA 3.03Å; S1634-D1713 PolarHBondContact OG-N 2.72Å; S1634-D1713 PolarHBondContact OG-O 2.98Å; S1634-G1714 WeakPolarHBondContact CB-O 3.19Å; S1634-G1714 CarbonylContact O-C 3.27Å; S1634-G1714 WeakPolarHBondContact O-CA 3.3Å; S1634-G1714 PolarHBondContact O-N 3.35Å; S1634-G1714 PolarHBondContact OG-O 2.83Å
1635	V	39.5	Very low	40	Very low	75.4 Å²	75.4	80.7 Å²	80.7	46%	0.457	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	113.8	179.8	-178.6	0	0	0	0	109.2	S1558 V1559 Q1560 V1574 G1575 T1637 Q1716	S1558-V1635 PolarHBondContact O-N 3.04Å; V1559-V1635 WeakPolarHBondContact CA-O 3.29Å; V1559-V1635 HydrophobicContact CB-CG2 4.2Å; V1559-V1635 HydrophobicContact CG2-CG2 4.33Å; Q1560-V1635 PolarHBondContact N-O 3.21Å; Q1560-V1635 VanDerWaalsContact N-O 3.16Å; V1574-V1635 CarbonylContact C-O 3.46Å; V1574-V1635 VanDerWaalsContact CA-O 3.31Å; V1574-V1635 WeakPolarHBondContact CA-O 3.46Å; V1574-V1635 WeakPolarHBondContact CG1-O 3.12Å; G1575-V1635 PolarHBondContact N-O 3.45Å; G1575-V1635 CarbonylContact O-C 3.51Å; G1575-V1635 PolarHBondContact O-N 2.8Å; V1635-T1637 VanDerWaalsContact C-N 3.31Å; V1635-T1637 WeakPolarHBondContact CG1-OG1 3.16Å; V1635-T1637 PolarHBondContact O-N 2.86Å; V1635-Q1716 VanDerWaalsContact O-CA 3.24Å; V1635-Q1716 WeakPolarHBondContact O-CA 3.36Å; V1635-Q1716 PolarHBondContact O-N 3.45Å
1636	Q	36.5	Very low	38.5	Very low	79.8 Å²	79.8	81.6 Å²	81.6	37%	0.373	45%	0.454	S	S	.	.			trans	-100.3	107.2	179.2	-173.3	159.9	52.6	0	0	111.4	V1559 Q1560 I1638 V1652 D1653 Q1716	V1559-Q1636 PolarHBondContact O-N 2.82Å; Q1560-Q1636 VanDerWaalsContact NE2-OE1 3.14Å; Q1636-I1638 HydrophobicContact CG-CG1 4.27Å; Q1636-I1638 PolarHBondContact O-N 3.27Å; Q1636-V1652 WeakPolarHBondContact O-CA 3.25Å; Q1636-V1652 WeakPolarHBondContact O-CB 3.4Å; Q1636-V1652 PolarHBondContact O-N 2.85Å; Q1636-D1653 PolarHBondContact N-OD2 2.9Å; Q1636-Q1716 HydrophobicContact CG-CG 4.43Å
1637	T	32.6	Very low	37.3	Very low	68.2 Å²	68.2	84 Å²	84	42%	0.418	47%	0.466	S	S	.	.			trans	-113.8	133.6	172.6	-56.5	0	0	0	0	109.8	Q1560 V1572 N1573 V1574 V1635 P1639 V1648 V1650 Q1716	Q1560-T1637 PolarHBondContact O-N 2.74Å; V1572-T1637 HydrophobicContact CG1-CG2 3.79Å; N1573-T1637 WeakPolarHBondContact O-CB 3.06Å; N1573-T1637 WeakPolarHBondContact O-CG2 3.15Å; N1573-T1637 PolarHBondContact O-OG1 3Å; V1574-T1637 WeakPolarHBondContact CG1-O 3.36Å; V1574-T1637 HydrophobicContact CG2-CG2 4.09Å; V1635-T1637 VanDerWaalsContact C-N 3.31Å; V1635-T1637 WeakPolarHBondContact CG1-OG1 3.16Å; V1635-T1637 PolarHBondContact O-N 2.86Å; T1637-P1639 WeakPolarHBondContact O-CD 3.35Å; T1637-V1648 VanDerWaalsContact CG2-O 3.3Å; T1637-V1648 WeakPolarHBondContact CG2-O 3.41Å; T1637-V1650 HydrophobicContact CG2-CB 4.22Å; T1637-V1650 HydrophobicContact CG2-CG2 4.06Å; T1637-V1650 VanDerWaalsContact OG1-C 3.26Å; T1637-V1650 PolarHBondContact OG1-N 2.9Å; T1637-V1650 PolarHBondContact OG1-O 2.76Å; T1637-Q1716 PolarHBondContact N-O 3.39Å; T1637-Q1716 VanDerWaalsContact N-O 3.17Å
1638	I	34.3	Very low	36.1	Very low	96 Å²	96	87.1 Å²	87.1	49%	0.492	48%	0.478	S	S	.	.			trans	-110.7	123.3	175.5	-51.4	176	0	0	0	108.3	P1563 Q1636 E1640 R1642 V1652 T1775	P1563-I1638 WeakPolarHBondContact CD-O 3.31Å; P1563-I1638 WeakPolarHBondContact CG-O 3.24Å; Q1636-I1638 HydrophobicContact CG-CG1 4.27Å; Q1636-I1638 PolarHBondContact O-N 3.27Å; I1638-E1640 WeakPolarHBondContact CB-OE2 3.46Å; I1638-E1640 HydrophobicContact CG2-CG 3.98Å; I1638-E1640 WeakPolarHBondContact CG2-OE2 2.97Å; I1638-E1640 PolarHBondContact O-N 3.05Å; I1638-R1642 PolarHBondContact O-NH2 2.79Å; I1638-V1652 HydrophobicContact CD1-CG2 4.43Å; I1638-T1775 HydrophobicContact CD1-CG2 4.21Å
1639	P	34.9	Very low	34.9	Very low	78.6 Å²	78.6	90.3 Å²	90.3	51%	0.51	49%	0.493	S	S	.	.			trans	-83.9	120.3	173.6	23.1	-21.8	0	0	0	112.1	T1561 I1562 E1564 T1637 E1641 V1718	T1561-P1639 HydrophobicContact CG2-CB 3.85Å; I1562-P1639 HydrophobicContact CB-CB 4.25Å; I1562-P1639 HydrophobicContact CB-CG 4.01Å; I1562-P1639 HydrophobicContact CD1-CG 4.06Å; I1562-P1639 HydrophobicContact CG1-CG 4.07Å; E1564-P1639 WeakPolarHBondContact OE2-CA 3Å; E1564-P1639 WeakPolarHBondContact OE2-CB 3.43Å; T1637-P1639 WeakPolarHBondContact O-CD 3.35Å; P1639-E1641 PolarHBondContact O-N 2.94Å; P1639-V1718 WeakPolarHBondContact CD-O 3.44Å; P1639-V1718 WeakPolarHBondContact CG-O 3.48Å
1640	E	30	Very low	33.8	Very low	93.2 Å²	93.2	92.7 Å²	92.7	44%	0.436	51%	0.507	S	S	.	.			trans	-89.9	110.9	179.4	-151.7	-165.2	163.9	0	0	111.7	E1564 R1566 I1638 R1642 T1775 L1776 P1777	E1564-E1640 PolarHBondContact OE2-N 3.49Å; R1566-E1640 IonicContact CZ-OE1 3.56Å; R1566-E1640 IonicContact NE-OE1 3.6Å; R1566-E1640 IonicContact NH1-OE1 3.54Å; R1566-E1640 PolarHBondContact NH1-OE1 3.07Å; R1566-E1640 IonicContact NH1-OE2 3.53Å; I1638-E1640 WeakPolarHBondContact CB-OE2 3.46Å; I1638-E1640 HydrophobicContact CG2-CG 3.98Å; I1638-E1640 WeakPolarHBondContact CG2-OE2 2.97Å; I1638-E1640 PolarHBondContact O-N 3.05Å; E1640-R1642 VanDerWaalsContact C-N 3.27Å; E1640-R1642 VanDerWaalsContact CD-NE 3.3Å; E1640-R1642 VanDerWaalsContact CD-NH2 3.28Å; E1640-R1642 HydrophobicContact CG-CG 3.94Å; E1640-R1642 VanDerWaalsContact N-NH2 3.19Å; E1640-R1642 WeakPolarHBondContact O-CG 2.97Å; E1640-R1642 PolarHBondContact O-N 3.12Å; E1640-R1642 PolarHBondContact O-NE 2.96Å; E1640-R1642 PolarHBondContact O-NH2 2.96Å; E1640-R1642 WeakPolarHBondContact OE1-CG 3.36Å; E1640-R1642 IonicContact OE1-CZ 3.29Å; E1640-R1642 VanDerWaalsContact OE1-CZ 3.26Å; E1640-R1642 IonicContact OE1-NE 3.18Å; E1640-R1642 PolarHBondContact OE1-NE 3.08Å; E1640-R1642 IonicContact OE1-NH2 2.69Å; E1640-R1642 PolarHBondContact OE1-NH2 3.2Å; E1640-R1642 IonicContact OE2-CZ 3.13Å; E1640-R1642 VanDerWaalsContact OE2-CZ 3.23Å; E1640-R1642 IonicContact OE2-NE 2.81Å; E1640-R1642 PolarHBondContact OE2-NE 3.14Å; E1640-R1642 IonicContact OE2-NH2 3.01Å; E1640-R1642 PolarHBondContact OE2-NH2 3.08Å; E1640-T1775 WeakPolarHBondContact OE1-CA 3.06Å; E1640-T1775 WeakPolarHBondContact OE2-CA 3.41Å; E1640-T1775 WeakPolarHBondContact OE2-CG2 3.3Å; E1640-L1776 PolarHBondContact OE1-N 3.08Å; E1640-P1777 WeakPolarHBondContact OE1-CD 3.17Å
1641	E	29.6	Very low	32.7	Very low	134.6 Å²	134.6	93.6 Å²	93.6	63%	0.629	52%	0.521	S	S	*	.			trans	-76.4	117	176.7	-165.9	-175.9	-159.8	0	0	111.5	R1566 P1567 F1569 P1639 P1643 V1648 L1776	R1566-E1641 PolarHBondContact NH1-O 3.43Å; R1566-E1641 PolarHBondContact NH2-O 3.08Å; P1567-E1641 WeakPolarHBondContact CD-OE1 3.35Å; F1569-E1641 HydrophobicContact CD1-CG 4.08Å; F1569-E1641 VanDerWaalsContact CD1-OE1 3.27Å; F1569-E1641 WeakPolarHBondContact CD1-OE1 3.32Å; P1639-E1641 PolarHBondContact O-N 2.94Å; E1641-P1643 VanDerWaalsContact O-CD 3.28Å; E1641-P1643 WeakPolarHBondContact O-CD 3.32Å; E1641-P1643 WeakPolarHBondContact OE2-CB 3.4Å; E1641-V1648 VanDerWaalsContact O-CG2 3.26Å; E1641-V1648 WeakPolarHBondContact O-CG2 3.44Å; E1641-L1776 HydrophobicContact CB-CB 3.84Å; E1641-L1776 HydrophobicContact CB-CD2 3.51Å; E1641-L1776 HydrophobicContact CB-CG 4.3Å; E1641-L1776 HydrophobicContact CG-CD2 3.78Å
1642	R	29.9	Very low	31.9	Very low	127.6 Å²	127.6	97.1 Å²	97.1	48%	0.482	54%	0.542	S	S	.	.			trans	-98	114.3	178.1	-64.4	-172.7	177.8	167.9	5.7	110.9	E1564 F1569 H1570 T1571 I1638 E1640 V1644 C1646 V1648	E1564-R1642 VanDerWaalsContact CD-NE 3.31Å; E1564-R1642 IonicContact OE1-CZ 3.93Å; E1564-R1642 IonicContact OE1-NE 3.68Å; E1564-R1642 PolarHBondContact OE1-NE 2.6Å; E1564-R1642 IonicContact OE1-NH2 2.87Å; E1564-R1642 IonicContact OE2-CZ 2.7Å; E1564-R1642 IonicContact OE2-NE 2.69Å; E1564-R1642 PolarHBondContact OE2-NE 2.83Å; E1564-R1642 IonicContact OE2-NH2 2.86Å; E1564-R1642 PolarHBondContact OE2-NH2 3.48Å; F1569-R1642 WeakPolarHBondContact CA-O 3.35Å; F1569-R1642 HydrophobicContact CB-CB 3.77Å; F1569-R1642 HydrophobicContact CB-CG 4.31Å; H1570-R1642 WeakPolarHBondContact O-CD 3.07Å; T1571-R1642 WeakPolarHBondContact O-CD 3.05Å; T1571-R1642 PolarHBondContact O-NH1 3.09Å; I1638-R1642 PolarHBondContact O-NH2 2.79Å; E1640-R1642 VanDerWaalsContact C-N 3.27Å; E1640-R1642 VanDerWaalsContact CD-NE 3.3Å; E1640-R1642 VanDerWaalsContact CD-NH2 3.28Å; E1640-R1642 HydrophobicContact CG-CG 3.94Å; E1640-R1642 VanDerWaalsContact N-NH2 3.19Å; E1640-R1642 WeakPolarHBondContact O-CG 2.97Å; E1640-R1642 PolarHBondContact O-N 3.12Å; E1640-R1642 PolarHBondContact O-NE 2.96Å; E1640-R1642 PolarHBondContact O-NH2 2.96Å; E1640-R1642 WeakPolarHBondContact OE1-CG 3.36Å; E1640-R1642 IonicContact OE1-CZ 3.29Å; E1640-R1642 VanDerWaalsContact OE1-CZ 3.26Å; E1640-R1642 IonicContact OE1-NE 3.18Å; E1640-R1642 PolarHBondContact OE1-NE 3.08Å; E1640-R1642 IonicContact OE1-NH2 2.69Å; E1640-R1642 PolarHBondContact OE1-NH2 3.2Å; E1640-R1642 IonicContact OE2-CZ 3.13Å; E1640-R1642 VanDerWaalsContact OE2-CZ 3.23Å; E1640-R1642 IonicContact OE2-NE 2.81Å; E1640-R1642 PolarHBondContact OE2-NE 3.14Å; E1640-R1642 IonicContact OE2-NH2 3.01Å; E1640-R1642 PolarHBondContact OE2-NH2 3.08Å; R1642-V1644 PolarHBondContact O-N 3.12Å; R1642-V1644 VanDerWaalsContact O-N 3.1Å; R1642-C1646 VanDerWaalsContact O-O 3.13Å; R1642-V1648 HydrophobicContact CB-CG2 4.32Å; R1642-V1648 HydrophobicContact CG-CB 4.47Å; R1642-V1648 HydrophobicContact CG-CG2 4.08Å; R1642-V1648 PolarHBondContact NH1-O 3.37Å
1643	P	31.5	Very low	31.3	Very low	80.8 Å²	80.8	102 Å²	102	53%	0.525	56%	0.563	S	S	.	*			trans	-68.9	116.4	-177.5	7.1	-7.1	0	0	0	111.8	E1641 F1645 C1646	E1641-P1643 VanDerWaalsContact O-CD 3.28Å; E1641-P1643 WeakPolarHBondContact O-CD 3.32Å; E1641-P1643 WeakPolarHBondContact OE2-CB 3.4Å; P1643-F1645 HydrophobicContact CB-CD2 3.98Å; P1643-F1645 HydrophobicContact CB-CE2 3.61Å; P1643-F1645 VanDerWaalsContact CB-CE2 3.49Å; P1643-F1645 HydrophobicContact CB-CZ 4.17Å; P1643-F1645 HydrophobicContact CG-CE2 4.3Å; P1643-F1645 WeakPolarHBondContact O-CD2 3.37Å; P1643-F1645 PolarHBondContact O-N 3.24Å; P1643-C1646 WeakPolarHBondContact O-CB 3.33Å; P1643-C1646 PolarHBondContact O-N 2.89Å; P1643-C1646 VanDerWaalsContact O-N 3.14Å
1644	V	28.9	Very low	30.8	Very low	115.2 Å²	115.2	103.5 Å²	103.5	70%	0.698	57%	0.569	S	S	*	*			trans	-75.2	92	170.4	-174.6	0	0	0	0	109.5	P1567 R1642 C1646	P1567-V1644 WeakPolarHBondContact O-CA 3.29Å; P1567-V1644 PolarHBondContact O-N 2.75Å; R1642-V1644 PolarHBondContact O-N 3.12Å; R1642-V1644 VanDerWaalsContact O-N 3.1Å; V1644-C1646 VanDerWaalsContact C-N 3.25Å; V1644-C1646 PolarHBondContact O-N 2.94Å
1645	F	26	Very low	30.5	Very low	169.6 Å²	169.6	107.4 Å²	107.4	74%	0.744	59%	0.591	S	S	*	*			trans	-60.3	86.6	178.2	-68.6	-82.4	0	0	0	111.9	V1568 H1570 P1643 T1647	V1568-F1645 HydrophobicContact CG1-CD1 3.62Å; V1568-F1645 HydrophobicContact CG1-CD2 3.91Å; V1568-F1645 HydrophobicContact CG1-CE1 3.47Å; V1568-F1645 VanDerWaalsContact CG1-CE1 3.47Å; V1568-F1645 HydrophobicContact CG1-CE2 3.77Å; V1568-F1645 HydrophobicContact CG1-CG 3.85Å; V1568-F1645 HydrophobicContact CG1-CZ 3.56Å; V1568-F1645 PolarHBondContact O-N 2.85Å; H1570-F1645 AromaticContact CE1-CD1 3.94Å; P1643-F1645 HydrophobicContact CB-CD2 3.98Å; P1643-F1645 HydrophobicContact CB-CE2 3.61Å; P1643-F1645 VanDerWaalsContact CB-CE2 3.49Å; P1643-F1645 HydrophobicContact CB-CZ 4.17Å; P1643-F1645 HydrophobicContact CG-CE2 4.3Å; P1643-F1645 WeakPolarHBondContact O-CD2 3.37Å; P1643-F1645 PolarHBondContact O-N 3.24Å; F1645-T1647 PolarHBondContact O-N 3.09Å
1646	C	25.1	Very low	30.2	Very low	92.8 Å²	92.8	109.4 Å²	109.4	63%	0.627	60%	0.599	S	S	*	*			trans	-81.7	115.6	164.7	-89.1	0	0	0	0	110	R1642 P1643 V1644 V1648 T1772	R1642-C1646 VanDerWaalsContact O-O 3.13Å; P1643-C1646 WeakPolarHBondContact O-CB 3.33Å; P1643-C1646 PolarHBondContact O-N 2.89Å; P1643-C1646 VanDerWaalsContact O-N 3.14Å; V1644-C1646 VanDerWaalsContact C-N 3.25Å; V1644-C1646 PolarHBondContact O-N 2.94Å; C1646-V1648 PolarHBondContact O-N 2.88Å; C1646-T1772 PolarHBondContact SG-O 2.83Å
1647	T	25.6	Very low	30	Very low	107.6 Å²	107.6	113 Å²	113	66%	0.66	62%	0.621	S	S	*	*			trans	-86.3	129.6	169.8	46.8	0	0	0	0	109.9	H1570 F1645 D1649	H1570-T1647 HydrophobicContact CB-CG2 4.25Å; H1570-T1647 VanDerWaalsContact O-CA 3.29Å; H1570-T1647 WeakPolarHBondContact O-CA 3.48Å; H1570-T1647 VanDerWaalsContact O-CB 3.3Å; H1570-T1647 WeakPolarHBondContact O-CB 3.49Å; H1570-T1647 WeakPolarHBondContact O-CG2 3.38Å; F1645-T1647 PolarHBondContact O-N 3.09Å; T1647-D1649 WeakPolarHBondContact CB-OD2 3.23Å; T1647-D1649 PolarHBondContact O-N 3.04Å; T1647-D1649 PolarHBondContact OG1-OD2 2.87Å
1648	V	27.1	Very low	29.9	Very low	100 Å²	100	113.7 Å²	113.7	61%	0.606	63%	0.634	S	S	*	*			trans	-40.8	102.7	165.8	-177.9	0	0	0	0	110.8	T1637 E1641 R1642 C1646 V1650 M1773 H1774	T1637-V1648 VanDerWaalsContact CG2-O 3.3Å; T1637-V1648 WeakPolarHBondContact CG2-O 3.41Å; E1641-V1648 VanDerWaalsContact O-CG2 3.26Å; E1641-V1648 WeakPolarHBondContact O-CG2 3.44Å; R1642-V1648 HydrophobicContact CB-CG2 4.32Å; R1642-V1648 HydrophobicContact CG-CB 4.47Å; R1642-V1648 HydrophobicContact CG-CG2 4.08Å; R1642-V1648 PolarHBondContact NH1-O 3.37Å; C1646-V1648 PolarHBondContact O-N 2.88Å; V1648-V1650 HydrophobicContact CG1-CG2 3.93Å; V1648-V1650 PolarHBondContact O-N 2.86Å; V1648-M1773 HydrophobicContact CG1-CB 4.41Å; V1648-H1774 HydrophobicContact CG2-CB 3.92Å; V1648-H1774 VanDerWaalsContact CG2-N 3.29Å
1649	D	26	Very low	29.8	Very low	125 Å²	125	114.5 Å²	114.5	67%	0.668	65%	0.645	S	S	*	*			trans	-116.4	133.9	139.3	-110.2	-38.3	0	0	0	110.7	T1571 V1572 N1573 T1647 S1651 T1717 M1773	T1571-D1649 WeakPolarHBondContact CG2-OD2 3.21Å; V1572-D1649 VanDerWaalsContact CA-OD1 3.24Å; V1572-D1649 WeakPolarHBondContact CA-OD1 2.99Å; N1573-D1649 PolarHBondContact N-OD1 3.36Å; N1573-D1649 PolarHBondContact ND2-OD1 2.82Å; T1647-D1649 WeakPolarHBondContact CB-OD2 3.23Å; T1647-D1649 PolarHBondContact O-N 3.04Å; T1647-D1649 PolarHBondContact OG1-OD2 2.87Å; D1649-S1651 VanDerWaalsContact C-N 3.29Å; D1649-S1651 PolarHBondContact O-N 2.96Å; D1649-T1717 CarbonylContact C-O 2.99Å; D1649-T1717 HydrophobicContact CB-CG2 4.26Å; D1649-T1717 VanDerWaalsContact CB-O 3.26Å; D1649-T1717 WeakPolarHBondContact CB-O 3.37Å; D1649-M1773 WeakPolarHBondContact O-CG 3.35Å
1650	V	26.9	Very low	29.6	Very low	102.8 Å²	102.8	118 Å²	118	62%	0.623	66%	0.658	S	S	*	*			trans	-104.5	119.9	-175	-175.8	0	0	0	0	109.5	T1637 V1648 V1652 T1717 M1773	T1637-V1650 HydrophobicContact CG2-CB 4.22Å; T1637-V1650 HydrophobicContact CG2-CG2 4.06Å; T1637-V1650 VanDerWaalsContact OG1-C 3.26Å; T1637-V1650 PolarHBondContact OG1-N 2.9Å; T1637-V1650 PolarHBondContact OG1-O 2.76Å; V1648-V1650 HydrophobicContact CG1-CG2 3.93Å; V1648-V1650 PolarHBondContact O-N 2.86Å; V1650-V1652 HydrophobicContact CG1-CG2 4.27Å; V1650-V1652 PolarHBondContact O-N 3.26Å; V1650-T1717 PolarHBondContact N-O 2.81Å; V1650-T1717 VanDerWaalsContact N-O 3.12Å; V1650-T1717 PolarHBondContact O-N 2.9Å; V1650-T1717 VanDerWaalsContact O-N 3.11Å; V1650-M1773 HydrophobicContact CG1-SD 4.11Å; V1650-M1773 HydrophobicContact CG2-CB 4.38Å; V1650-M1773 HydrophobicContact CG2-CG 4.26Å; V1650-M1773 HydrophobicContact CG2-SD 4.4Å
1651	S	30	Very low	29.7	Very low	90.4 Å²	90.4	119.4 Å²	119.4	63%	0.632	67%	0.673	S	S	*	*			trans	-119.2	121.5	157.9	54.8	0	0	0	0	110.3	D1649 D1653 Q1716	D1649-S1651 VanDerWaalsContact C-N 3.29Å; D1649-S1651 PolarHBondContact O-N 2.96Å; S1651-D1653 WeakPolarHBondContact CB-OD1 3.37Å; S1651-D1653 PolarHBondContact OG-OD1 2.97Å; S1651-Q1716 WeakPolarHBondContact OG-CB 3.34Å; S1651-Q1716 WeakPolarHBondContact OG-CG 3.43Å; S1651-Q1716 PolarHBondContact OG-NE2 3.5Å
1652	V	31.4	Very low	29.5	Very low	113.4 Å²	113.4	123.6 Å²	123.6	69%	0.687	68%	0.683	S	S	*	*			trans	-109.4	98.4	174.4	-178.3	0	0	0	0	107.9	Q1636 I1638 V1650 H1654	Q1636-V1652 WeakPolarHBondContact O-CA 3.25Å; Q1636-V1652 WeakPolarHBondContact O-CB 3.4Å; Q1636-V1652 PolarHBondContact O-N 2.85Å; I1638-V1652 HydrophobicContact CD1-CG2 4.43Å; V1650-V1652 HydrophobicContact CG1-CG2 4.27Å; V1650-V1652 PolarHBondContact O-N 3.26Å; V1652-H1654 WeakPolarHBondContact O-CB 3.31Å; V1652-H1654 PolarHBondContact O-N 2.89Å; V1652-H1654 VanDerWaalsContact O-N 3.11Å
1653	D	30.5	Very low	29.4	Very low	136.8 Å²	136.8	122.7 Å²	122.7	73%	0.732	70%	0.696	S	S	*	*			trans	-101.4	122.2	169.2	-80.3	-36.6	0	0	0	109.4	Q1636 S1651 G1714 T1715	Q1636-D1653 PolarHBondContact N-OD2 2.9Å; S1651-D1653 WeakPolarHBondContact CB-OD1 3.37Å; S1651-D1653 PolarHBondContact OG-OD1 2.97Å; D1653-G1714 WeakPolarHBondContact OD2-CA 3.05Å; D1653-T1715 VanDerWaalsContact CG-N 3.29Å; D1653-T1715 WeakPolarHBondContact OD1-CG2 3.1Å; D1653-T1715 PolarHBondContact OD1-N 2.79Å; D1653-T1715 PolarHBondContact OD2-N 2.99Å
1654	H	30.5	Very low	29.2	Very low	143.6 Å²	143.6	125.2 Å²	125.2	67%	0.665	71%	0.71	S	S	*	*			trans	-130.2	127.4	-172.3	179.3	68	0	0	0	111.2	V1652 D1656	V1652-H1654 WeakPolarHBondContact O-CB 3.31Å; V1652-H1654 PolarHBondContact O-N 2.89Å; V1652-H1654 VanDerWaalsContact O-N 3.11Å; H1654-D1656 IonicContact CD2-OD2 2.93Å; H1654-D1656 IonicContact CE1-OD1 3.03Å; H1654-D1656 IonicContact CE1-OD2 3.19Å; H1654-D1656 PolarHBondContact CE1-OD2 2.95Å; H1654-D1656 WeakPolarHBondContact NE2-CA 3.15Å; H1654-D1656 WeakPolarHBondContact NE2-CB 3.45Å; H1654-D1656 IonicContact NE2-OD2 3.2Å; H1654-D1656 PolarHBondContact NE2-OD2 2.66Å
1655	V	33.2	Very low	29.2	Very low	124.8 Å²	124.8	125.9 Å²	125.9	76%	0.756	72%	0.715	S	S	*	*			trans	-136.5	117.9	169.6	173.7	0	0	0	0	109
1656	D	33	Very low	29.2	Very low	115.8 Å²	115.8	122.4 Å²	122.4	62%	0.619	71%	0.711	S	S	*	*			trans	-88	146.3	169.8	-90.9	-70.6	0	0	0	114.3	H1654 A1658	H1654-D1656 IonicContact CD2-OD2 2.93Å; H1654-D1656 IonicContact CE1-OD1 3.03Å; H1654-D1656 IonicContact CE1-OD2 3.19Å; H1654-D1656 PolarHBondContact CE1-OD2 2.95Å; H1654-D1656 WeakPolarHBondContact NE2-CA 3.15Å; H1654-D1656 WeakPolarHBondContact NE2-CB 3.45Å; H1654-D1656 IonicContact NE2-OD2 3.2Å; H1654-D1656 PolarHBondContact NE2-OD2 2.66Å; D1656-A1658 VanDerWaalsContact OD1-CB 3.26Å; D1656-A1658 WeakPolarHBondContact OD1-CB 3.24Å; D1656-A1658 PolarHBondContact OD1-N 3.32Å; D1656-A1658 PolarHBondContact OD2-N 2.81Å
1657	N	33.4	Very low	29.3	Very low	157.2 Å²	157.2	123.4 Å²	123.4	84%	0.841	72%	0.719	S	S	*	*			trans	-171.8	113.2	140.8	-102.6	-63.2	0	0	0	114.6
1658	A	30.4	Very low	29.4	Very low	82.4 Å²	82.4	123.3 Å²	123.3	68%	0.681	72%	0.719	S	S	*	*			trans	-56	155	164.1	0	0	0	0	0	115.2	D1656 I1660	D1656-A1658 VanDerWaalsContact OD1-CB 3.26Å; D1656-A1658 WeakPolarHBondContact OD1-CB 3.24Å; D1656-A1658 PolarHBondContact OD1-N 3.32Å; D1656-A1658 PolarHBondContact OD2-N 2.81Å; A1658-I1660 PolarHBondContact O-N 3.3Å; A1658-I1660 VanDerWaalsContact O-N 3.08Å
1659	P	32.3	Very low	29.4	Very low	112.2 Å²	112.2	126.4 Å²	126.4	73%	0.729	73%	0.728	S	S	*	*			trans	-108.9	150.4	-176.1	32.2	-23.1	0	0	0	114.2
1660	I	31.2	Very low	29.5	Very low	152.2 Å²	152.2	127.7 Å²	127.7	78%	0.781	73%	0.73	S	S	*	*			trans	-51.1	118.5	166.8	-49.9	171	0	0	0	113.1	A1658 R1662	A1658-I1660 PolarHBondContact O-N 3.3Å; A1658-I1660 VanDerWaalsContact O-N 3.08Å; I1660-R1662 PolarHBondContact O-N 3.03Å
1661	V	30.2	Very low	29.5	Very low	123.4 Å²	123.4	128.2 Å²	128.2	75%	0.748	73%	0.734	S	S	*	*			trans	-127.9	115.7	153.8	179.5	0	0	0	0	111.4	S1663	V1661-S1663 PolarHBondContact O-N 3.05Å; V1661-S1663 PolarHBondContact O-OG 3.02Å
1662	R	26.5	Very low	29.3	Very low	221 Å²	221	130.8 Å²	130.8	83%	0.834	74%	0.74	S	S	*	*			trans	-62	128.7	166.8	-62.8	177.1	176.6	114.1	-1.4	112	I1660 T1664	I1660-R1662 PolarHBondContact O-N 3.03Å; R1662-T1664 PolarHBondContact O-N 3.21Å
1663	S	28.2	Very low	29.2	Very low	109.8 Å²	109.8	130.2 Å²	130.2	77%	0.768	74%	0.738	S	S	*	*			trans	-134.6	124.1	158.8	-88.7	0	0	0	0	111.8	V1661 V1665	V1661-S1663 PolarHBondContact O-N 3.05Å; V1661-S1663 PolarHBondContact O-OG 3.02Å; S1663-V1665 PolarHBondContact O-N 3.05Å
1664	T	26.3	Very low	29	Very low	132.6 Å²	132.6	130.7 Å²	130.7	81%	0.813	74%	0.74	S	S	*	*			trans	-50.6	128	151.7	-30.8	0	0	0	0	111.5	R1662	R1662-T1664 PolarHBondContact O-N 3.21Å
1665	V	28.7	Very low	28.7	Very low	131.4 Å²	131.4	129.3 Å²	129.3	80%	0.796	74%	0.742	S	S	*	*				-125.7	124.3	121.8	-171.1	0	0	0	0	108.8	S1663 S1667	S1663-V1665 PolarHBondContact O-N 3.05Å; V1665-S1667 PolarHBondContact O-N 3.2Å
1666	S	26.6	Very low	28.3	Very low	95.8 Å²	95.8	128.7 Å²	128.7	67%	0.67	74%	0.743	S	S	*	*			trans	-111.1	119.9	140	-174.4	0	0	0	0	111.2	T1668	S1666-T1668 VanDerWaalsContact C-N 3.33Å; S1666-T1668 PolarHBondContact O-N 2.74Å; S1666-T1668 PolarHBondContact OG-OG1 2.93Å
1667	S	28	Very low	27.9	Very low	112.8 Å²	112.8	131 Å²	131	79%	0.789	75%	0.751	S	S	*	*			trans	-135.7	94.5	163.5	-84	0	0	0	0	110.5	V1665	V1665-S1667 PolarHBondContact O-N 3.2Å
1668	T	26.4	Very low	27.6	Very low	106.4 Å²	106.4	128.5 Å²	128.5	65%	0.653	75%	0.746	S	S	*	*				-101.4	121.8	123.5	-51.5	0	0	0	0	110.3	S1666	S1666-T1668 VanDerWaalsContact C-N 3.33Å; S1666-T1668 PolarHBondContact O-N 2.74Å; S1666-T1668 PolarHBondContact OG-OG1 2.93Å
1669	M	27.5	Very low	27.3	Very low	163.6 Å²	163.6	129.4 Å²	129.4	81%	0.806	74%	0.743	S	S	*	*			trans	-126.1	122.1	156.4	-64.9	-106	-64.6	0	0	110.2	T1671	M1669-T1671 PolarHBondContact O-N 3.21Å
1670	H	27.5	Very low	26.9	Very low	153.8 Å²	153.8	131.9 Å²	131.9	71%	0.712	75%	0.745	S	S	*	*				-123.1	124.1	88.6	-86.8	-71.5	0	0	0	111.2	L1672	H1670-L1672 PolarHBondContact O-N 2.79Å
1671	T	27.4	Very low	26.7	Very low	113.2 Å²	113.2	130.1 Å²	130.1	69%	0.694	74%	0.741	S	S	*	*				-174.5	117.3	107.8	-47.4	0	0	0	0	113.3	M1669 P1673	M1669-T1671 PolarHBondContact O-N 3.21Å; T1671-P1673 WeakPolarHBondContact O-CD 3.12Å
1672	L	25.6	Very low	26.4	Very low	145.4 Å²	145.4	130.5 Å²	130.5	76%	0.761	74%	0.737	S	S	*	*			trans	-9.2	161.8	152.1	-130	69.8	0	0	0	115.5	H1670 N1674	H1670-L1672 PolarHBondContact O-N 2.79Å; L1672-N1674 PolarHBondContact O-N 3.28Å
1673	P	29	Very low	26.6	Very low	99.8 Å²	99.8	125.2 Å²	125.2	65%	0.648	73%	0.731	S	S	*	*			trans	-90	141.6	-161.5	33.6	-32	0	0	0	113.3	T1671 T1675	T1671-P1673 WeakPolarHBondContact O-CD 3.12Å; P1673-T1675 PolarHBondContact O-N 3.17Å
1674	N	26.1	Very low	26.6	Very low	146.8 Å²	146.8	125.7 Å²	125.7	79%	0.785	73%	0.73	S	S	*	*			trans	-116.5	117.5	163.3	-105.5	-1.4	0	0	0	112.2	L1672 S1676	L1672-N1674 PolarHBondContact O-N 3.28Å; N1674-S1676 PolarHBondContact O-N 3.39Å; N1674-S1676 VanDerWaalsContact O-N 3.13Å; N1674-S1676 PolarHBondContact O-OG 3.14Å
1675	T	24.8	Very low	26.6	Very low	114 Å²	114	127.3 Å²	127.3	70%	0.699	73%	0.726	S	S	*	*			trans	-44.8	128.5	160.2	-6.8	0	0	0	0	112.1	P1673 Q1677	P1673-T1675 PolarHBondContact O-N 3.17Å; T1675-Q1677 VanDerWaalsContact CA-OE1 3.27Å; T1675-Q1677 PolarHBondContact O-N 3.15Å
1676	S	25.8	Very low	26.5	Very low	112.4 Å²	112.4	128.9 Å²	128.9	79%	0.786	73%	0.729	S	S	*	*			trans	-130.9	92.7	175.8	-63.6	0	0	0	0	111	N1674 S1678	N1674-S1676 PolarHBondContact O-N 3.39Å; N1674-S1676 VanDerWaalsContact O-N 3.13Å; N1674-S1676 PolarHBondContact O-OG 3.14Å; S1676-S1678 PolarHBondContact O-N 3.35Å; S1676-S1678 VanDerWaalsContact O-N 3.13Å
1677	Q	24.8	Very low	26.5	Very low	165.8 Å²	165.8	128.2 Å²	128.2	78%	0.775	73%	0.729	S	S	*	*			trans	-44.7	110	156.5	-71.8	-179.3	-44.2	0	0	112.9	T1675 T1679	T1675-Q1677 VanDerWaalsContact CA-OE1 3.27Å; T1675-Q1677 PolarHBondContact O-N 3.15Å; Q1677-T1679 WeakPolarHBondContact O-CB 3.42Å; Q1677-T1679 PolarHBondContact O-N 2.89Å; Q1677-T1679 PolarHBondContact O-OG1 3.17Å
1678	S	26.1	Very low	26.4	Very low	104.4 Å²	104.4	128.8 Å²	128.8	73%	0.73	72%	0.723	S	S	*	*			trans	-129.1	117.2	161.5	-159.3	0	0	0	0	108.6	S1676 Q1680	S1676-S1678 PolarHBondContact O-N 3.35Å; S1676-S1678 VanDerWaalsContact O-N 3.13Å; S1678-Q1680 VanDerWaalsContact C-N 3.34Å; S1678-Q1680 PolarHBondContact O-N 3.23Å
1679	T	24	Very low	26.3	Very low	101 Å²	101	129.1 Å²	129.1	62%	0.62	73%	0.726	S	S	*	*				74.4	89.8	127.9	-41.1	0	0	0	0	112.3	Q1677 T1681 Y1908	Q1677-T1679 WeakPolarHBondContact O-CB 3.42Å; Q1677-T1679 PolarHBondContact O-N 2.89Å; Q1677-T1679 PolarHBondContact O-OG1 3.17Å; T1679-T1681 PolarHBondContact O-N 3.12Å; T1679-T1681 PolarHBondContact O-OG1 3.34Å; T1679-Y1908 HydrophobicContact CG2-CE2 4.48Å; T1679-Y1908 WeakPolarHBondContact CG2-OH 3.41Å
1680	Q	25.1	Very low	26.2	Very low	165 Å²	165	129.4 Å²	129.4	77%	0.771	72%	0.723	S	S	*	*			trans	-79.2	125.6	160	-148.9	-167.6	64.5	0	0	113.9	S1678 I1682	S1678-Q1680 VanDerWaalsContact C-N 3.34Å; S1678-Q1680 PolarHBondContact O-N 3.23Å; Q1680-I1682 HydrophobicContact CG-CD1 4.34Å
1681	T	26.6	Very low	26	Very low	113.6 Å²	113.6	126.2 Å²	126.2	70%	0.697	72%	0.716	S	S	*	*			trans	-67.6	122.3	168.1	-38.1	0	0	0	0	114.7	T1679 P1683	T1679-T1681 PolarHBondContact O-N 3.12Å; T1679-T1681 PolarHBondContact O-OG1 3.34Å; T1681-P1683 VanDerWaalsContact O-CD 3.26Å; T1681-P1683 WeakPolarHBondContact O-CD 3.41Å
1682	I	24	Very low	25.8	Very low	131.8 Å²	131.8	127 Å²	127	68%	0.676	71%	0.712	S	S	*	*			trans	-76.5	130.6	160.8	-59.9	171.7	0	0	0	109.7	Q1680 T1684 T1788	Q1680-I1682 HydrophobicContact CG-CD1 4.34Å; I1682-T1684 PolarHBondContact O-N 3.08Å; I1682-T1684 VanDerWaalsContact O-N 3.08Å; I1682-T1788 HydrophobicContact CG2-CG2 4.07Å
1683	P	30.4	Very low	25.7	Very low	109 Å²	109	124.5 Å²	124.5	71%	0.708	70%	0.703	S	S	*	*			trans	-95	131.3	157.4	19.7	-5.4	0	0	0	111.3	T1681 K1685 T1788 L1790	T1681-P1683 VanDerWaalsContact O-CD 3.26Å; T1681-P1683 WeakPolarHBondContact O-CD 3.41Å; P1683-K1685 PolarHBondContact O-N 3.25Å; P1683-T1788 WeakPolarHBondContact CA-OG1 3.37Å; P1683-T1788 HydrophobicContact CB-CG2 3.82Å; P1683-L1790 HydrophobicContact CB-CD1 3.81Å; P1683-L1790 HydrophobicContact CB-CG 4.39Å; P1683-L1790 HydrophobicContact CG-CD1 4.07Å
1684	T	27.3	Very low	25.6	Very low	121.2 Å²	121.2	123.4 Å²	123.4	74%	0.744	70%	0.695	S	S	*	*			trans	-110.5	124.9	162.4	-55.6	0	0	0	0	112	I1682 P1787 T1788	I1682-T1684 PolarHBondContact O-N 3.08Å; I1682-T1684 VanDerWaalsContact O-N 3.08Å; T1684-P1787 CarbonylContact O-C 3.59Å; T1684-P1787 WeakPolarHBondContact O-CA 3.15Å; T1684-T1788 PolarHBondContact N-OG1 3.3Å; T1684-T1788 PolarHBondContact O-N 2.89Å; T1684-T1788 PolarHBondContact O-OG1 3.28Å
1685	K	26.7	Very low	25.7	Very low	166.6 Å²	166.6	120.6 Å²	120.6	72%	0.724	68%	0.679	S	S	*	*			trans	-118.3	141.2	168.5	-86.2	-159	174.5	-173.7	0	113.4	P1683 D1688 P1787 L1790 A1791	P1683-K1685 PolarHBondContact O-N 3.25Å; K1685-D1688 WeakPolarHBondContact CE-OD1 3.22Å; K1685-D1688 IonicContact NZ-OD1 3.69Å; K1685-D1688 PolarHBondContact NZ-OD1 2.8Å; K1685-D1688 IonicContact NZ-OD2 3.89Å; K1685-D1688 PolarHBondContact NZ-OD2 2.7Å; K1685-P1787 HydrophobicContact CB-CB 4.49Å; K1685-P1787 HydrophobicContact CG-CB 4.24Å; K1685-L1790 HydrophobicContact CB-CB 3.61Å; K1685-L1790 HydrophobicContact CB-CD1 3.9Å; K1685-L1790 HydrophobicContact CB-CG 4.43Å; K1685-L1790 HydrophobicContact CD-CB 3.63Å; K1685-L1790 WeakPolarHBondContact CD-O 3.26Å; K1685-L1790 HydrophobicContact CG-CB 4.1Å; K1685-L1790 PolarHBondContact NZ-O 3.38Å; K1685-A1791 WeakPolarHBondContact CD-O 3.19Å; K1685-A1791 PolarHBondContact NZ-O 3.05Å
1686	L	27.4	Very low	26	Very low	163.6 Å²	163.6	118 Å²	118	86%	0.857	67%	0.666	S	S	*	*			trans	-132.4	133.5	154.8	-91.1	163.8	0	0	0	109.9
1687	A	25.2	Very low	26.1	Very low	81.8 Å²	81.8	115 Å²	115	68%	0.676	65%	0.645	S	S	*	*			trans	-50.7	121.6	141.4	0	0	0	0	0	113.2
1688	D	25.9	Very low	26.9	Very low	125.4 Å²	125.4	110.2 Å²	110.2	67%	0.671	62%	0.624	S	S	*	*			trans	-156.6	141.6	143.1	-88.6	-39.9	0	0	0	112.2	K1685 F1690 D1792 T1793	K1685-D1688 WeakPolarHBondContact CE-OD1 3.22Å; K1685-D1688 IonicContact NZ-OD1 3.69Å; K1685-D1688 PolarHBondContact NZ-OD1 2.8Å; K1685-D1688 IonicContact NZ-OD2 3.89Å; K1685-D1688 PolarHBondContact NZ-OD2 2.7Å; D1688-F1690 HydrophobicContact CB-CE2 4.48Å; D1688-F1690 PolarHBondContact O-N 2.92Å; D1688-D1792 PolarHBondContact OD2-N 2.72Å; D1688-T1793 HydrophobicContact CB-CG2 4.19Å; D1688-T1793 PolarHBondContact OD2-N 2.77Å
1689	T	26.2	Very low	27.4	Very low	113.6 Å²	113.6	107.1 Å²	107.1	70%	0.697	60%	0.6	S	S	*	*			trans	-60.6	106.6	176	-50.9	0	0	0	0	116.4	C1795	T1689-C1795 PolarHBondContact O-SG 2.69Å
1690	F	23.9	Very low	28.2	Very low	169.4 Å²	169.4	106.3 Å²	106.3	74%	0.743	59%	0.587	S	S	*	*			trans	-138.4	132.4	157.6	-87.9	-90.6	0	0	0	113.8	D1688 T1793 F1794 C1795 Q1796	D1688-F1690 HydrophobicContact CB-CE2 4.48Å; D1688-F1690 PolarHBondContact O-N 2.92Å; F1690-T1793 HydrophobicContact CD2-CG2 3.86Å; F1690-T1793 HydrophobicContact CE2-CG2 4.45Å; F1690-F1794 HydrophobicContact CE2-CB 4.24Å; F1690-F1794 HydrophobicContact CZ-CB 3.75Å; F1690-F1794 HydrophobicContact CZ-CD1 4.39Å; F1690-F1794 HydrophobicContact CZ-CG 4.44Å; F1690-C1795 WeakPolarHBondContact CA-O 3.45Å; F1690-C1795 HydrophobicContact CD1-CB 3.93Å; F1690-C1795 WeakPolarHBondContact CD1-O 3.23Å; F1690-C1795 HydrophobicContact CD2-CB 3.18Å; F1690-C1795 WeakPolarHBondContact CD2-SG 3.49Å; F1690-C1795 HydrophobicContact CE1-CB 3.46Å; F1690-C1795 VanDerWaalsContact CE1-CB 3.46Å; F1690-C1795 HydrophobicContact CE2-CB 2.6Å; F1690-C1795 WeakPolarHBondContact CE2-SG 3.07Å; F1690-C1795 HydrophobicContact CG-CB 3.8Å; F1690-C1795 WeakPolarHBondContact CG-O 3.43Å; F1690-C1795 VanDerWaalsContact CZ-C 3.41Å; F1690-C1795 HydrophobicContact CZ-CB 2.75Å; F1690-Q1796 HydrophobicContact CD1-CB 4.04Å; F1690-Q1796 HydrophobicContact CE1-CB 3.79Å
1691	C	24.1	Very low	29.3	Very low	85.8 Å²	85.8	102.6 Å²	102.6	58%	0.58	57%	0.572	S	S	*	*			trans	-113.9	133.8	170.2	-76.4	0	0	0	0	111.2	Q1610 C1795 Q1796 T1797	Q1610-C1691 HydrophobicContact CB-CB 3.65Å; Q1610-C1691 HydrophobicContact CG-CB 4.05Å; Q1610-C1691 PolarHBondContact OE1-SG 3.23Å; C1691-C1795 PolarHBondContact N-O 2.84Å; C1691-C1795 VanDerWaalsContact N-O 3.15Å; C1691-Q1796 CarbonylContact O-C 3.42Å; C1691-T1797 HydrophobicContact CB-CG2 4.37Å; C1691-T1797 PolarHBondContact N-OG1 3.5Å; C1691-T1797 WeakPolarHBondContact O-CA 3.42Å; C1691-T1797 VanDerWaalsContact O-CB 3.28Å; C1691-T1797 WeakPolarHBondContact O-CB 3.31Å; C1691-T1797 PolarHBondContact O-N 2.98Å; C1691-T1797 VanDerWaalsContact O-N 3.16Å; C1691-T1797 PolarHBondContact O-OG1 3.1Å
1692	Q	23.7	Very low	30.4	Very low	130.2 Å²	130.2	100 Å²	100	61%	0.608	56%	0.556	S	S	*	*			trans	-131.7	124	168.7	-121.6	-178.9	67.1	0	0	111.8	T1694 Q1796 T1798	Q1692-T1694 PolarHBondContact O-N 3.23Å; Q1692-T1694 PolarHBondContact OE1-OG1 2.67Å; Q1692-Q1796 HydrophobicContact CB-CB 4.45Å; Q1692-Q1796 VanDerWaalsContact NE2-CG 3.3Å; Q1692-Q1796 PolarHBondContact NE2-O 2.81Å; Q1692-T1798 PolarHBondContact OE1-OG1 3.25Å
1693	T	23.8	Very low	31.6	Very low	92.4 Å²	92.4	96.6 Å²	96.6	57%	0.567	54%	0.537	S	S	*	.			trans	-108	108.5	169.7	-41.2	0	0	0	0	109.1	L1695 T1798	T1693-L1695 HydrophobicContact CG2-CD1 4.18Å; T1693-L1695 HydrophobicContact CG2-CD2 4.23Å; T1693-L1695 HydrophobicContact CG2-CG 4.11Å; T1693-L1695 PolarHBondContact O-N 3.19Å; T1693-T1798 PolarHBondContact O-N 3.19Å; T1693-T1798 VanDerWaalsContact O-O 3.09Å
1694	T	25.8	Very low	32.4	Very low	78.2 Å²	78.2	95.1 Å²	95.1	48%	0.48	52%	0.523	S	S	.	.			trans	-82.6	110.5	176.8	-5.4	0	0	0	0	110.3	Q1692 S1696	Q1692-T1694 PolarHBondContact O-N 3.23Å; Q1692-T1694 PolarHBondContact OE1-OG1 2.67Å; T1694-S1696 PolarHBondContact O-N 3Å; T1694-S1696 VanDerWaalsContact O-N 3.07Å
1695	L	27.9	Very low	33.2	Very low	88 Å²	88	93 Å²	93	46%	0.461	50%	0.504	S	S	.	.	P	Polyproline II helix	trans	-87.9	127	176.9	-69.8	168.2	0	0	0	110.1	F1493 L1615 T1693 S1697 T1797 T1798 L1799 S1800	F1493-L1695 HydrophobicContact CE1-CD1 4.23Å; F1493-L1695 HydrophobicContact CE1-CD2 3.74Å; F1493-L1695 HydrophobicContact CE2-CD1 4.11Å; F1493-L1695 HydrophobicContact CZ-CD1 3.5Å; F1493-L1695 VanDerWaalsContact CZ-CD1 3.5Å; F1493-L1695 HydrophobicContact CZ-CD2 3.63Å; F1493-L1695 HydrophobicContact CZ-CG 4.21Å; L1615-L1695 HydrophobicContact CD1-CD2 4.19Å; L1615-L1695 HydrophobicContact CD2-CD2 4.03Å; L1615-L1695 HydrophobicContact CG-CD2 4.4Å; T1693-L1695 HydrophobicContact CG2-CD1 4.18Å; T1693-L1695 HydrophobicContact CG2-CD2 4.23Å; T1693-L1695 HydrophobicContact CG2-CG 4.11Å; T1693-L1695 PolarHBondContact O-N 3.19Å; L1695-S1697 PolarHBondContact O-N 3.14Å; L1695-S1697 VanDerWaalsContact O-N 3.11Å; L1695-T1797 HydrophobicContact CD1-CG2 3.85Å; L1695-T1798 PolarHBondContact N-O 3.03Å; L1695-T1798 VanDerWaalsContact N-O 3.09Å; L1695-L1799 HydrophobicContact CB-CD2 4.26Å; L1695-L1799 HydrophobicContact CD1-CD2 3.68Å; L1695-L1799 VanDerWaalsContact CD1-CD2 3.42Å; L1695-L1799 HydrophobicContact CD1-CG 3.95Å; L1695-L1799 HydrophobicContact CG-CD2 4.42Å; L1695-S1800 WeakPolarHBondContact O-CB 3.2Å; L1695-S1800 PolarHBondContact O-N 3.1Å; L1695-S1800 VanDerWaalsContact O-N 3.09Å; L1695-S1800 PolarHBondContact O-OG 3.19Å
1696	S	30.8	Very low	33.9	Very low	59 Å²	59	88 Å²	88	41%	0.413	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-84.5	138.4	-178.8	-65.2	0	0	0	0	111.5	L1615 P1616 T1694 I1698	L1615-S1696 VanDerWaalsContact O-CB 3.29Å; L1615-S1696 WeakPolarHBondContact O-CB 3.21Å; L1615-S1696 PolarHBondContact O-OG 2.91Å; P1616-S1696 WeakPolarHBondContact O-CB 3.34Å; P1616-S1696 PolarHBondContact O-OG 3.43Å; T1694-S1696 PolarHBondContact O-N 3Å; T1694-S1696 VanDerWaalsContact O-N 3.07Å; S1696-I1698 WeakPolarHBondContact O-CG1 3.26Å; S1696-I1698 PolarHBondContact O-N 3.14Å
1697	S	29.6	Very low	34.6	Very low	50.2 Å²	50.2	81.8 Å²	81.8	35%	0.351	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-81	130.6	178.6	56.9	0	0	0	0	112.2	K1617 L1695 S1801	K1617-S1697 WeakPolarHBondContact CA-O 3.19Å; K1617-S1697 WeakPolarHBondContact CB-O 3.39Å; K1617-S1697 WeakPolarHBondContact CE-O 3.4Å; L1695-S1697 PolarHBondContact O-N 3.14Å; L1695-S1697 VanDerWaalsContact O-N 3.11Å; S1697-S1801 VanDerWaalsContact CB-O 3.3Å; S1697-S1801 WeakPolarHBondContact CB-O 3.39Å
1698	I	40.4	Very low	35.5	Very low	65 Å²	65	80.2 Å²	80.2	33%	0.333	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-86.6	132.1	163	-40.9	175.9	0	0	0	107.2	E1489 V1598 E1599 P1616 T1618 F1620 S1696 Y1700 T1803	E1489-I1698 WeakPolarHBondContact OE1-CD1 3.27Å; E1489-I1698 WeakPolarHBondContact OE2-CD1 3.24Å; V1598-I1698 HydrophobicContact CG1-CD1 3.59Å; E1599-I1698 WeakPolarHBondContact O-CD1 3.38Å; E1599-I1698 WeakPolarHBondContact O-CG1 3.16Å; P1616-I1698 HydrophobicContact CB-CG1 4.47Å; T1618-I1698 WeakPolarHBondContact OG1-CA 3.46Å; T1618-I1698 VanDerWaalsContact OG1-CG2 3.3Å; T1618-I1698 WeakPolarHBondContact OG1-CG2 2.9Å; F1620-I1698 HydrophobicContact CD2-CG2 4.33Å; F1620-I1698 HydrophobicContact CE2-CG2 4.28Å; F1620-I1698 HydrophobicContact CZ-CG2 4.36Å; S1696-I1698 WeakPolarHBondContact O-CG1 3.26Å; S1696-I1698 PolarHBondContact O-N 3.14Å; I1698-Y1700 HydrophobicContact CB-CE2 4.43Å; I1698-Y1700 HydrophobicContact CG2-CD2 4.18Å; I1698-Y1700 HydrophobicContact CG2-CE1 4.38Å; I1698-Y1700 HydrophobicContact CG2-CE2 3.52Å; I1698-Y1700 VanDerWaalsContact CG2-CE2 3.44Å; I1698-T1803 PolarHBondContact O-N 2.83Å
1699	T	36.1	Very low	36.4	Very low	37.8 Å²	37.8	77.9 Å²	77.9	23%	0.232	43%	0.434	C	S	.	.			trans	-123.2	129.9	176.4	56.2	0	0	0	0	112.3	K1617 T1618 F1620 D1701 T1803	K1617-T1699 VanDerWaalsContact CE-CG2 3.47Å; K1617-T1699 WeakPolarHBondContact CE-OG1 3.24Å; K1617-T1699 VanDerWaalsContact NZ-CG2 3.26Å; K1617-T1699 PolarHBondContact NZ-OG1 3.13Å; T1618-T1699 PolarHBondContact OG1-N 2.83Å; F1620-T1699 WeakPolarHBondContact CD2-O 3.41Å; F1620-T1699 WeakPolarHBondContact CE2-O 3.48Å; F1620-T1699 PolarHBondContact N-O 3.25Å; T1699-D1701 WeakPolarHBondContact CB-OD1 3.41Å; T1699-D1701 PolarHBondContact O-N 3.26Å; T1699-D1701 PolarHBondContact OG1-OD1 3.26Å; T1699-T1803 WeakPolarHBondContact CG2-OG1 3.45Å
1700	Y	41.6	Very low	37.2	Very low	85 Å²	85	75.7 Å²	75.7	33%	0.333	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	113.3	172.9	-66	-83.6	0	0	0	109.6	E1489 Q1596 S1597 F1620 V1623 I1698 V1702 I1802 T1803 Y1804 D1805	E1489-Y1700 WeakPolarHBondContact OE2-CE2 3.49Å; E1489-Y1700 VanDerWaalsContact OE2-CZ 3.31Å; E1489-Y1700 PolarHBondContact OE2-OH 3.16Å; Q1596-Y1700 WeakPolarHBondContact CA-OH 3.03Å; Q1596-Y1700 WeakPolarHBondContact CG-OH 3.27Å; S1597-Y1700 PolarHBondContact N-OH 2.83Å; S1597-Y1700 PolarHBondContact O-OH 2.72Å; F1620-Y1700 HydrophobicContact CB-CD1 3.81Å; F1620-Y1700 HydrophobicContact CB-CE1 4.15Å; F1620-Y1700 AromaticContact CD2-CD1 3.78Å; F1620-Y1700 HydrophobicContact CD2-CD1 3.78Å; F1620-Y1700 AromaticContact CD2-CE1 3.32Å; F1620-Y1700 HydrophobicContact CD2-CE1 3.49Å; F1620-Y1700 AromaticContact CD2-CZ 3.91Å; F1620-Y1700 HydrophobicContact CE1-CE1 4.42Å; F1620-Y1700 AromaticContact CE2-CD1 3.29Å; F1620-Y1700 HydrophobicContact CE2-CD1 3.29Å; F1620-Y1700 HydrophobicContact CE2-CD2 4.45Å; F1620-Y1700 AromaticContact CE2-CE1 3.66Å; F1620-Y1700 HydrophobicContact CE2-CE1 3.66Å; F1620-Y1700 HydrophobicContact CE2-CE2 4.39Å; F1620-Y1700 AromaticContact CE2-CG 3.92Å; F1620-Y1700 HydrophobicContact CE2-CG 3.92Å; F1620-Y1700 AromaticContact CE2-CZ 3.85Å; F1620-Y1700 AromaticContact CG-CD1 3.96Å; F1620-Y1700 HydrophobicContact CG-CD1 4.02Å; F1620-Y1700 AromaticContact CG-CE1 3.83Å; F1620-Y1700 HydrophobicContact CG-CE1 3.83Å; F1620-Y1700 HydrophobicContact CZ-CD1 4.05Å; F1620-Y1700 AromaticContact CZ-CE1 3.5Å; F1620-Y1700 HydrophobicContact CZ-CE1 3.98Å; F1620-Y1700 VanDerWaalsContact CZ-CE1 3.5Å; F1620-Y1700 AromaticContact CZ-CZ 3.78Å; F1620-Y1700 WeakPolarHBondContact O-CA 3.46Å; V1623-Y1700 HydrophobicContact CB-CD1 4.24Å; V1623-Y1700 HydrophobicContact CG2-CD1 3.69Å; V1623-Y1700 HydrophobicContact CG2-CE1 3.97Å; I1698-Y1700 HydrophobicContact CB-CE2 4.43Å; I1698-Y1700 HydrophobicContact CG2-CD2 4.18Å; I1698-Y1700 HydrophobicContact CG2-CE1 4.38Å; I1698-Y1700 HydrophobicContact CG2-CE2 3.52Å; I1698-Y1700 VanDerWaalsContact CG2-CE2 3.44Å; Y1700-V1702 CarbonylContact O-C 3.32Å; Y1700-V1702 PolarHBondContact O-N 2.96Å; Y1700-I1802 HydrophobicContact CD2-CG2 4.42Å; Y1700-I1802 HydrophobicContact CE2-CG2 4.34Å; Y1700-T1803 PolarHBondContact N-O 2.82Å; Y1700-T1803 VanDerWaalsContact N-O 3.09Å; Y1700-Y1804 AromaticContact CD2-CD1 3.82Å; Y1700-Y1804 HydrophobicContact CD2-CD1 3.93Å; Y1700-Y1804 AromaticContact CD2-CE1 3.46Å; Y1700-Y1804 HydrophobicContact CD2-CE1 3.46Å; Y1700-Y1804 VanDerWaalsContact CD2-CE1 3.42Å; Y1700-Y1804 AromaticContact CD2-CZ 3.95Å; Y1700-Y1804 AromaticContact CE2-CE1 3.88Å; Y1700-Y1804 HydrophobicContact CE2-CE1 3.98Å; Y1700-Y1804 HydrophobicContact CG-CD1 4.25Å; Y1700-Y1804 AromaticContact CG-CE1 3.89Å; Y1700-Y1804 HydrophobicContact CG-CE1 4.07Å; Y1700-Y1804 WeakPolarHBondContact O-CA 3.22Å; Y1700-D1805 PolarHBondContact O-N 3.06Å; Y1700-D1805 VanDerWaalsContact O-N 3.08Å
1701	D	47.7	Very low	38	Very low	86.4 Å²	86.4	69.6 Å²	69.6	46%	0.462	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	75.6	177.7	-95.9	-12.8	0	0	0	110.3	K1617 F1620 D1621 V1622 T1699 D1805 V1806	K1617-D1701 WeakPolarHBondContact CE-OD1 3.28Å; K1617-D1701 IonicContact NZ-OD1 2.74Å; K1617-D1701 PolarHBondContact NZ-OD1 2.8Å; K1617-D1701 IonicContact NZ-OD2 2.83Å; K1617-D1701 PolarHBondContact NZ-OD2 3.3Å; F1620-D1701 PolarHBondContact O-N 3.11Å; F1620-D1701 VanDerWaalsContact O-N 3.13Å; D1621-D1701 WeakPolarHBondContact O-CB 3.46Å; D1621-D1701 PolarHBondContact O-N 2.78Å; V1622-D1701 PolarHBondContact N-O 3.13Å; V1622-D1701 VanDerWaalsContact N-O 3.07Å; T1699-D1701 WeakPolarHBondContact CB-OD1 3.41Å; T1699-D1701 PolarHBondContact O-N 3.26Å; T1699-D1701 PolarHBondContact OG1-OD1 3.26Å; D1701-D1805 WeakPolarHBondContact O-CB 3.33Å; D1701-D1805 PolarHBondContact O-N 2.93Å; D1701-V1806 PolarHBondContact O-N 2.83Å; D1701-V1806 VanDerWaalsContact O-N 3.08Å
1702	V	49.6	Very low	38.7	Very low	59.4 Å²	59.4	68.9 Å²	68.9	36%	0.36	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	110	174.1	-162.5	0	0	0	0	110.1	D1621 V1622 V1623 Y1700 I1704 D1805 V1806 Q1807	D1621-V1702 PolarHBondContact O-N 3.36Å; V1622-V1702 HydrophobicContact CB-CG2 4.45Å; V1622-V1702 HydrophobicContact CG1-CB 4.31Å; V1622-V1702 HydrophobicContact CG1-CG1 3.78Å; V1622-V1702 HydrophobicContact CG2-CB 4.25Å; V1622-V1702 HydrophobicContact CG2-CG1 4.1Å; V1622-V1702 WeakPolarHBondContact O-CA 3.33Å; V1623-V1702 PolarHBondContact N-O 3.41Å; Y1700-V1702 CarbonylContact O-C 3.32Å; Y1700-V1702 PolarHBondContact O-N 2.96Å; V1702-I1704 HydrophobicContact CG1-CD1 4.16Å; V1702-I1704 HydrophobicContact CG1-CG1 4.05Å; V1702-D1805 PolarHBondContact N-O 3.16Å; V1702-D1805 VanDerWaalsContact N-O 3.08Å; V1702-V1806 WeakPolarHBondContact CA-O 3.44Å; V1702-V1806 HydrophobicContact CB-CG1 4.43Å; V1702-V1806 HydrophobicContact CB-CG2 4.41Å; V1702-V1806 HydrophobicContact CG1-CB 4.28Å; V1702-V1806 HydrophobicContact CG2-CB 4.27Å; V1702-V1806 WeakPolarHBondContact O-CA 3.22Å; V1702-Q1807 PolarHBondContact O-N 3.13Å; V1702-Q1807 VanDerWaalsContact O-N 3.17Å
1703	Q	49.3	Very low	39.4	Very low	61.2 Å²	61.2	66.2 Å²	66.2	29%	0.286	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	120.7	174.6	-165.2	-172.2	56.3	0	0	110.9	V1622 V1623 T1624 Q1705 Y1804 V1806 Q1807 I1808	V1622-Q1703 PolarHBondContact O-N 2.95Å; V1622-Q1703 VanDerWaalsContact O-N 3.14Å; V1623-Q1703 HydrophobicContact CB-CG 4.31Å; V1623-Q1703 HydrophobicContact CG1-CG 3.99Å; V1623-Q1703 CarbonylContact O-C 3.39Å; V1623-Q1703 WeakPolarHBondContact O-CA 3.39Å; T1624-Q1703 PolarHBondContact N-O 2.97Å; Q1703-Q1705 HydrophobicContact CG-CG 4.42Å; Q1703-Q1705 PolarHBondContact O-N 2.77Å; Q1703-Q1705 VanDerWaalsContact OE1-NE2 3.13Å; Q1703-Y1804 HydrophobicContact CB-CD1 4.33Å; Q1703-Y1804 HydrophobicContact CB-CE1 4.47Å; Q1703-V1806 PolarHBondContact N-O 3.34Å; Q1703-Q1807 HydrophobicContact CG-CB 4.45Å; Q1703-Q1807 WeakPolarHBondContact O-CA 3.26Å; Q1703-I1808 PolarHBondContact O-N 2.85Å
1704	I	48.1	Very low	39.7	Very low	77.8 Å²	77.8	64.2 Å²	64.2	40%	0.399	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	123.6	175.1	-59.3	177.5	0	0	0	109	V1623 T1624 Q1625 V1702 Q1807 I1808 Q1809	V1623-I1704 PolarHBondContact O-N 2.88Å; T1624-I1704 CarbonylContact C-O 3.46Å; T1624-I1704 WeakPolarHBondContact CA-O 3.33Å; T1624-I1704 HydrophobicContact CG2-CB 4.22Å; T1624-I1704 HydrophobicContact CG2-CG2 4.22Å; T1624-I1704 WeakPolarHBondContact O-CA 3.4Å; Q1625-I1704 PolarHBondContact N-O 3.07Å; V1702-I1704 HydrophobicContact CG1-CD1 4.16Å; V1702-I1704 HydrophobicContact CG1-CG1 4.05Å; I1704-Q1807 PolarHBondContact N-O 3.1Å; I1704-Q1807 VanDerWaalsContact N-O 3.07Å; I1704-I1808 HydrophobicContact CB-CG1 4.44Å; I1704-I1808 HydrophobicContact CG1-CB 4.41Å; I1704-I1808 HydrophobicContact CG1-CD1 4.49Å; I1704-I1808 HydrophobicContact CG2-CB 4.45Å; I1704-I1808 WeakPolarHBondContact O-CA 3.38Å; I1704-Q1809 PolarHBondContact O-N 3.16Å; I1704-Q1809 VanDerWaalsContact O-N 3.13Å
1705	Q	44.1	Very low	40	Very low	77 Å²	77	65.1 Å²	65.1	36%	0.36	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	137.9	172.9	-57.4	-171.8	14.9	0	0	110.9	T1624 Q1625 S1626 Q1703 I1808 Q1809 S1810	T1624-Q1705 PolarHBondContact O-N 3.03Å; Q1625-Q1705 WeakPolarHBondContact CA-O 3.07Å; Q1625-Q1705 HydrophobicContact CB-CB 4.17Å; Q1625-Q1705 HydrophobicContact CB-CG 4.18Å; Q1625-Q1705 HydrophobicContact CG-CG 4.21Å; Q1625-Q1705 VanDerWaalsContact NE2-CD 3.3Å; Q1625-Q1705 CarbonylContact O-C 3.39Å; Q1625-Q1705 VanDerWaalsContact O-C 3.26Å; Q1625-Q1705 VanDerWaalsContact O-CA 3.23Å; Q1625-Q1705 WeakPolarHBondContact O-CA 3.36Å; S1626-Q1705 PolarHBondContact N-O 2.78Å; S1626-Q1705 VanDerWaalsContact N-O 3.11Å; Q1703-Q1705 HydrophobicContact CG-CG 4.42Å; Q1703-Q1705 PolarHBondContact O-N 2.77Å; Q1703-Q1705 VanDerWaalsContact OE1-NE2 3.13Å; Q1705-I1808 PolarHBondContact N-O 2.88Å; Q1705-Q1809 WeakPolarHBondContact O-CA 3.35Å; Q1705-S1810 PolarHBondContact O-N 3.04Å; Q1705-S1810 VanDerWaalsContact O-N 3.14Å
1706	S	41.8	Very low	40.1	Very low	61 Å²	61	67.4 Å²	67.4	43%	0.427	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	136.9	174.9	-178.8	0	0	0	0	111.5	Q1625 S1626 G1627 Q1809 S1810 G1811	Q1625-S1706 PolarHBondContact O-N 2.86Å; Q1625-S1706 VanDerWaalsContact O-N 3.09Å; S1626-S1706 CarbonylContact C-O 3.59Å; S1626-S1706 WeakPolarHBondContact CA-O 3.3Å; S1626-S1706 WeakPolarHBondContact O-CA 3.41Å; S1626-S1706 VanDerWaalsContact O-CB 3.28Å; S1626-S1706 WeakPolarHBondContact O-CB 3.34Å; S1626-S1706 PolarHBondContact O-OG 2.77Å; S1626-S1706 WeakPolarHBondContact OG-CB 3.04Å; S1626-S1706 PolarHBondContact OG-OG 3.4Å; G1627-S1706 PolarHBondContact N-O 3.07Å; S1706-Q1809 PolarHBondContact N-O 3.32Å; S1706-S1810 WeakPolarHBondContact CA-O 3.45Å; S1706-S1810 VanDerWaalsContact O-CA 3.29Å; S1706-S1810 WeakPolarHBondContact O-CA 3.35Å; S1706-S1810 PolarHBondContact O-OG 3.15Å; S1706-G1811 PolarHBondContact O-N 3.15Å; S1706-G1811 VanDerWaalsContact O-N 3.16Å
1707	G	40.7	Very low	40	Very low	32.4 Å²	32.4	68.8 Å²	68.8	33%	0.334	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	138.3	-179	0	0	0	0	0	113.1	S1626 G1627 T1628 I1709 S1810 G1811 V1812	S1626-G1707 PolarHBondContact O-N 2.92Å; G1627-G1707 WeakPolarHBondContact CA-O 3.38Å; G1627-G1707 CarbonylContact O-C 3.53Å; G1627-G1707 VanDerWaalsContact O-CA 3.31Å; G1627-G1707 WeakPolarHBondContact O-CA 3.18Å; T1628-G1707 PolarHBondContact N-O 2.83Å; T1628-G1707 VanDerWaalsContact N-O 3.12Å; G1707-I1709 PolarHBondContact O-N 3.17Å; G1707-S1810 PolarHBondContact N-O 3.36Å; G1707-G1811 CarbonylContact C-O 3.59Å; G1707-G1811 WeakPolarHBondContact CA-O 3.42Å; G1707-G1811 WeakPolarHBondContact O-CA 3.46Å; G1707-V1812 PolarHBondContact O-N 2.82Å; G1707-V1812 VanDerWaalsContact O-N 3.14Å
1708	V	45.3	Very low	40.1	Very low	49.6 Å²	49.6	70.3 Å²	70.3	30%	0.301	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	127.3	174.7	-173.7	0	0	0	0	109.5	G1627 T1628 V1629 H1710 G1811 V1812 I1813	G1627-V1708 PolarHBondContact O-N 3.15Å; T1628-V1708 WeakPolarHBondContact CA-O 3.39Å; T1628-V1708 HydrophobicContact CG2-CB 4.42Å; T1628-V1708 WeakPolarHBondContact O-CA 3.37Å; V1629-V1708 WeakPolarHBondContact CB-O 3.36Å; V1629-V1708 WeakPolarHBondContact CG2-O 3.34Å; V1629-V1708 PolarHBondContact N-O 2.84Å; V1708-H1710 WeakPolarHBondContact CG1-NE2 3.45Å; V1708-H1710 PolarHBondContact O-N 3.15Å; V1708-G1811 PolarHBondContact N-O 3.27Å; V1708-V1812 WeakPolarHBondContact CA-O 3.48Å; V1708-V1812 HydrophobicContact CB-CG1 4.36Å; V1708-V1812 HydrophobicContact CB-CG2 4.41Å; V1708-V1812 HydrophobicContact CG1-CB 4.42Å; V1708-V1812 HydrophobicContact CG2-CB 4.42Å; V1708-V1812 WeakPolarHBondContact O-CA 3.29Å; V1708-I1813 PolarHBondContact O-N 2.98Å
1709	I	42.9	Very low	39.5	Very low	76 Å²	76	72.5 Å²	72.5	39%	0.39	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	131.2	-177.5	-59.7	176.4	0	0	0	109.2	V1576 T1628 V1629 H1630 G1707 V1812 I1813 H1814	V1576-I1709 HydrophobicContact CB-CG2 4.42Å; V1576-I1709 HydrophobicContact CG1-CB 4Å; V1576-I1709 HydrophobicContact CG1-CG1 4.38Å; V1576-I1709 HydrophobicContact CG1-CG2 3.42Å; V1576-I1709 VanDerWaalsContact CG1-CG2 3.42Å; V1576-I1709 HydrophobicContact CG2-CG2 4.02Å; T1628-I1709 PolarHBondContact O-N 2.94Å; T1628-I1709 VanDerWaalsContact O-N 3.16Å; V1629-I1709 HydrophobicContact CG2-CG1 4.22Å; H1630-I1709 PolarHBondContact N-O 3.39Å; G1707-I1709 PolarHBondContact O-N 3.17Å; I1709-V1812 PolarHBondContact N-O 3.28Å; I1709-V1812 VanDerWaalsContact N-O 3.14Å; I1709-I1813 WeakPolarHBondContact CA-O 3.46Å; I1709-H1814 PolarHBondContact O-CE1 3.45Å; I1709-H1814 PolarHBondContact O-N 3.18Å
1710	H	44.6	Very low	39.2	Very low	68 Å²	68	76.7 Å²	76.7	32%	0.315	43%	0.434	S	S	.	.			trans	-129.3	133.5	166.7	-69.4	-89.6	0	0	0	112.5	V1576 D1577 L1578 V1629 H1630 C1631 V1708 I1813 H1814 S1815	V1576-H1710 CarbonylContact C-O 3.53Å; V1576-H1710 WeakPolarHBondContact CA-O 2.81Å; V1576-H1710 WeakPolarHBondContact CG1-O 3.29Å; D1577-H1710 PolarHBondContact N-O 3.23Å; D1577-H1710 CarbonylContact O-C 2.69Å; D1577-H1710 WeakPolarHBondContact O-CB 3.46Å; L1578-H1710 HydrophobicContact CB-CB 4.19Å; L1578-H1710 HydrophobicContact CD1-CB 4.04Å; L1578-H1710 WeakPolarHBondContact CD1-CD2 2.41Å; L1578-H1710 HydrophobicContact CG-CB 3.97Å; V1629-H1710 WeakPolarHBondContact CG1-NE2 3.38Å; V1629-H1710 PolarHBondContact O-N 3.09Å; H1630-H1710 VanDerWaalsContact C-ND1 3.35Å; H1630-H1710 VanDerWaalsContact CA-CD2 3.46Å; H1630-H1710 WeakPolarHBondContact CA-CD2 3.39Å; H1630-H1710 WeakPolarHBondContact CA-ND1 3.22Å; H1630-H1710 AromaticContact CE1-CD2 3.25Å; H1630-H1710 PolarHBondContact CE1-CD2 2.82Å; H1630-H1710 AromaticContact CE1-CG 3.76Å; H1630-H1710 AromaticContact CE1-NE2 3.77Å; H1630-H1710 AromaticContact CG-CE1 4Å; H1630-H1710 AromaticContact CG-ND1 3.79Å; H1630-H1710 PolarHBondContact N-CD2 3.1Å; H1630-H1710 PolarHBondContact N-NE2 2.84Å; H1630-H1710 AromaticContact ND1-CD2 3.49Å; H1630-H1710 PolarHBondContact ND1-CD2 3.43Å; H1630-H1710 AromaticContact ND1-CG 3.6Å; H1630-H1710 AromaticContact ND1-ND1 3.82Å; H1630-H1710 WeakPolarHBondContact O-CB 3.41Å; C1631-H1710 PolarHBondContact N-ND1 2.87Å; C1631-H1710 PolarHBondContact N-O 3.27Å; C1631-H1710 PolarHBondContact SG-O 3.4Å; V1708-H1710 WeakPolarHBondContact CG1-NE2 3.45Å; V1708-H1710 PolarHBondContact O-N 3.15Å; H1710-I1813 PolarHBondContact N-O 3.17Å; H1710-I1813 VanDerWaalsContact N-O 3.16Å; H1710-H1814 AromaticContact CD2-CE1 3.49Å; H1710-H1814 PolarHBondContact CD2-CE1 3.31Å; H1710-H1814 VanDerWaalsContact CD2-CE1 3.49Å; H1710-H1814 AromaticContact CD2-ND1 3.7Å; H1710-H1814 AromaticContact CE1-CD2 3.27Å; H1710-H1814 PolarHBondContact CE1-CD2 2.93Å; H1710-H1814 AromaticContact CE1-CG 3.8Å; H1710-H1814 AromaticContact CE1-NE2 3.99Å; H1710-H1814 AromaticContact CG-ND1 3.9Å; H1710-H1814 PolarHBondContact N-CE1 3.2Å; H1710-H1814 VanDerWaalsContact N-CE1 3.28Å; H1710-H1814 PolarHBondContact N-ND1 3Å; H1710-H1814 AromaticContact ND1-CD2 3.72Å; H1710-H1814 AromaticContact ND1-CG 3.83Å; H1710-H1814 AromaticContact NE2-CD2 3.99Å; H1710-H1814 PolarHBondContact O-CE1 3.03Å; H1710-H1814 PolarHBondContact O-ND1 3.04Å; H1710-S1815 PolarHBondContact O-N 3.34Å
1711	S	40.9	Very low	38.5	Very low	40.8 Å²	40.8	77.2 Å²	77.2	29%	0.285	45%	0.447	S	S	.	.			trans	-144	137.8	167.8	-178.1	0	0	0	0	110.6	D1577 C1631 A1632 S1634 D1713 H1814 V1816	D1577-S1711 CarbonylContact O-C 3.13Å; D1577-S1711 WeakPolarHBondContact O-CA 3.14Å; D1577-S1711 PolarHBondContact O-N 2.73Å; C1631-S1711 VanDerWaalsContact SG-CB 3.6Å; A1632-S1711 PolarHBondContact N-O 3.41Å; S1634-S1711 VanDerWaalsContact CB-OG 3.23Å; S1634-S1711 WeakPolarHBondContact CB-OG 3.34Å; S1711-D1713 WeakPolarHBondContact OG-CA 3.09Å; S1711-D1713 PolarHBondContact OG-N 2.82Å; S1711-D1713 PolarHBondContact OG-OD2 3.18Å; S1711-H1814 PolarHBondContact N-O 3.27Å; S1711-V1816 WeakPolarHBondContact O-CG2 3.38Å
1712	V	38.5	Very low	37.8	Very low	71 Å²	71	77.8 Å²	77.8	43%	0.43	46%	0.455	S	S	.	.			trans	-124.3	60.2	172.3	-159.4	0	0	0	0	110.2	D1577 A1632 S1634 G1714	D1577-V1712 HydrophobicContact CB-CB 4.16Å; D1577-V1712 HydrophobicContact CB-CG2 4.28Å; D1577-V1712 WeakPolarHBondContact OD1-CG2 3.32Å; A1632-V1712 HydrophobicContact CB-CB 4.09Å; A1632-V1712 HydrophobicContact CB-CG1 4.39Å; A1632-V1712 HydrophobicContact CB-CG2 4.24Å; A1632-V1712 WeakPolarHBondContact O-CA 3.36Å; A1632-V1712 WeakPolarHBondContact O-CG2 3.29Å; A1632-V1712 PolarHBondContact O-N 3.02Å; S1634-V1712 PolarHBondContact OG-N 2.83Å; V1712-G1714 PolarHBondContact O-N 3.05Å
1713	D	38.1	Very low	37	Very low	73.6 Å²	73.6	80.4 Å²	80.4	39%	0.394	47%	0.473	S	S	.	.			trans	-119.4	119.2	-178.3	-69.6	-62.3	0	0	0	112.7	A1632 Q1633 S1634 S1711 T1715	A1632-D1713 PolarHBondContact O-N 2.69Å; Q1633-D1713 HydrophobicContact CG-CB 4.16Å; Q1633-D1713 PolarHBondContact NE2-OD1 2.65Å; Q1633-D1713 PolarHBondContact O-N 2.97Å; S1634-D1713 VanDerWaalsContact CB-C 3.42Å; S1634-D1713 VanDerWaalsContact CB-CA 3.49Å; S1634-D1713 WeakPolarHBondContact CB-O 3.49Å; S1634-D1713 WeakPolarHBondContact OG-CA 3.03Å; S1634-D1713 PolarHBondContact OG-N 2.72Å; S1634-D1713 PolarHBondContact OG-O 2.98Å; S1711-D1713 WeakPolarHBondContact OG-CA 3.09Å; S1711-D1713 PolarHBondContact OG-N 2.82Å; S1711-D1713 PolarHBondContact OG-OD2 3.18Å; D1713-T1715 VanDerWaalsContact C-N 3.27Å; D1713-T1715 PolarHBondContact O-N 3.02Å; D1713-T1715 VanDerWaalsContact O-N 3.09Å
1714	G	30	Very low	36.3	Very low	51 Å²	51	84.3 Å²	84.3	53%	0.526	50%	0.495	S	S	.	.			trans	-130.4	125.6	-179.3	0	0	0	0	0	113.1	S1634 D1653 V1712	S1634-G1714 WeakPolarHBondContact CB-O 3.19Å; S1634-G1714 CarbonylContact O-C 3.27Å; S1634-G1714 WeakPolarHBondContact O-CA 3.3Å; S1634-G1714 PolarHBondContact O-N 3.35Å; S1634-G1714 PolarHBondContact OG-O 2.83Å; D1653-G1714 WeakPolarHBondContact OD2-CA 3.05Å; V1712-G1714 PolarHBondContact O-N 3.05Å
1715	T	31.9	Very low	35.4	Very low	96.6 Å²	96.6	85 Å²	85	59%	0.593	51%	0.512	S	S	*	.			trans	-113.6	132.2	-178.7	3.3	0	0	0	0	113.6	D1653 D1713 Q1820	D1653-T1715 VanDerWaalsContact CG-N 3.29Å; D1653-T1715 WeakPolarHBondContact OD1-CG2 3.1Å; D1653-T1715 PolarHBondContact OD1-N 2.79Å; D1653-T1715 PolarHBondContact OD2-N 2.99Å; D1713-T1715 VanDerWaalsContact C-N 3.27Å; D1713-T1715 PolarHBondContact O-N 3.02Å; D1713-T1715 VanDerWaalsContact O-N 3.09Å; T1715-Q1820 PolarHBondContact O-NE2 2.73Å; T1715-Q1820 PolarHBondContact O-OE1 3.15Å
1716	Q	29.2	Very low	34.7	Very low	137.4 Å²	137.4	89.6 Å²	89.6	64%	0.642	54%	0.536	S	S	*	.			trans	-127.6	121.4	174.1	-178.4	176.8	73.3	0	0	111.9	V1635 Q1636 T1637 S1651 V1718 Q1820	V1635-Q1716 VanDerWaalsContact O-CA 3.24Å; V1635-Q1716 WeakPolarHBondContact O-CA 3.36Å; V1635-Q1716 PolarHBondContact O-N 3.45Å; Q1636-Q1716 HydrophobicContact CG-CG 4.43Å; T1637-Q1716 PolarHBondContact N-O 3.39Å; T1637-Q1716 VanDerWaalsContact N-O 3.17Å; S1651-Q1716 WeakPolarHBondContact OG-CB 3.34Å; S1651-Q1716 WeakPolarHBondContact OG-CG 3.43Å; S1651-Q1716 PolarHBondContact OG-NE2 3.5Å; Q1716-V1718 HydrophobicContact CG-CB 4.11Å; Q1716-V1718 HydrophobicContact CG-CG2 4Å; Q1716-Q1820 VanDerWaalsContact N-OE1 3.14Å
1717	T	28.6	Very low	34.2	Very low	87.2 Å²	87.2	95.5 Å²	95.5	54%	0.535	55%	0.553	S	S	.	*			trans	-112.8	124	173.4	-51.4	0	0	0	0	109.9	N1573 D1649 V1650 Q1820 V1822	N1573-T1717 HydrophobicContact CB-CG2 3.93Å; D1649-T1717 CarbonylContact C-O 2.99Å; D1649-T1717 HydrophobicContact CB-CG2 4.26Å; D1649-T1717 VanDerWaalsContact CB-O 3.26Å; D1649-T1717 WeakPolarHBondContact CB-O 3.37Å; V1650-T1717 PolarHBondContact N-O 2.81Å; V1650-T1717 VanDerWaalsContact N-O 3.12Å; V1650-T1717 PolarHBondContact O-N 2.9Å; V1650-T1717 VanDerWaalsContact O-N 3.11Å; T1717-Q1820 PolarHBondContact O-NE2 3.3Å; T1717-Q1820 PolarHBondContact OG1-OE1 2.69Å; T1717-V1822 HydrophobicContact CG2-CB 4.38Å; T1717-V1822 HydrophobicContact CG2-CG2 4.35Å; T1717-V1822 WeakPolarHBondContact O-CG2 3.23Å
1718	V	33.2	Very low	33.5	Very low	82.2 Å²	82.2	102.3 Å²	102.3	50%	0.498	58%	0.576	S	S	.	*			trans	-122.6	122.1	172.8	178.7	0	0	0	0	108.4	P1639 Q1716 L1720 M1773	P1639-V1718 WeakPolarHBondContact CD-O 3.44Å; P1639-V1718 WeakPolarHBondContact CG-O 3.48Å; Q1716-V1718 HydrophobicContact CG-CB 4.11Å; Q1716-V1718 HydrophobicContact CG-CG2 4Å; V1718-L1720 VanDerWaalsContact C-N 3.3Å; V1718-L1720 HydrophobicContact CG1-CD1 4.21Å; V1718-L1720 HydrophobicContact CG1-CD2 4.06Å; V1718-L1720 HydrophobicContact CG1-CG 4.18Å; V1718-L1720 PolarHBondContact O-N 2.91Å; V1718-L1720 VanDerWaalsContact O-N 3.14Å; V1718-M1773 HydrophobicContact CG1-CE 3.75Å; V1718-M1773 HydrophobicContact CG1-SD 3.96Å; V1718-M1773 HydrophobicContact CG2-SD 3.84Å
1719	D	27.4	Very low	32.8	Very low	110.8 Å²	110.8	107.7 Å²	107.7	59%	0.593	60%	0.6	S	S	*	*			trans	-100	106	177.5	-153.5	3.4	0	0	0	111.1	T1721 S1771 V1822 L1824	D1719-T1721 PolarHBondContact O-N 2.98Å; D1719-T1721 WeakPolarHBondContact OD2-CB 3.34Å; D1719-T1721 PolarHBondContact OD2-N 2.84Å; D1719-T1721 PolarHBondContact OD2-OG1 2.77Å; D1719-S1771 WeakPolarHBondContact OD2-CB 3.12Å; D1719-S1771 PolarHBondContact OD2-OG 3.27Å; D1719-V1822 HydrophobicContact CB-CB 3.83Å; D1719-V1822 HydrophobicContact CB-CG1 3.76Å; D1719-L1824 PolarHBondContact OD2-N 3.42Å
1720	L	28.9	Very low	32.1	Very low	125.6 Å²	125.6	108.2 Å²	108.2	66%	0.658	61%	0.611	S	S	*	*			trans	-103.8	70.6	-178.4	-67.1	179.2	0	0	0	112.3	V1718 P1722 M1773	V1718-L1720 VanDerWaalsContact C-N 3.3Å; V1718-L1720 HydrophobicContact CG1-CD1 4.21Å; V1718-L1720 HydrophobicContact CG1-CD2 4.06Å; V1718-L1720 HydrophobicContact CG1-CG 4.18Å; V1718-L1720 PolarHBondContact O-N 2.91Å; V1718-L1720 VanDerWaalsContact O-N 3.14Å; L1720-P1722 WeakPolarHBondContact O-CD 3.42Å; L1720-M1773 HydrophobicContact CD2-CE 4.28Å
1721	T	28.5	Very low	31.5	Very low	97 Å²	97	110.1 Å²	110.1	60%	0.595	63%	0.627	S	S	*	*			trans	-58.5	119.2	163.1	-62.5	0	0	0	0	112.2	D1719 I1769 S1770 S1771	D1719-T1721 PolarHBondContact O-N 2.98Å; D1719-T1721 WeakPolarHBondContact OD2-CB 3.34Å; D1719-T1721 PolarHBondContact OD2-N 2.84Å; D1719-T1721 PolarHBondContact OD2-OG1 2.77Å; T1721-I1769 HydrophobicContact CG2-CG2 3.86Å; T1721-S1770 WeakPolarHBondContact O-CA 3.21Å; T1721-S1770 PolarHBondContact O-OG 3.21Å; T1721-S1771 WeakPolarHBondContact CB-OG 3.24Å; T1721-S1771 PolarHBondContact O-N 2.8Å
1722	P	32.8	Very low	31	Very low	97.6 Å²	97.6	114 Å²	114	63%	0.634	65%	0.649	S	S	*	*			trans	-75.7	150.9	-171.3	11.5	-9.7	0	0	0	113.3	L1720 I1724	L1720-P1722 WeakPolarHBondContact O-CD 3.42Å; P1722-I1724 PolarHBondContact O-N 2.9Å
1723	P	32.9	Very low	30.7	Very low	114 Å²	114	118.1 Å²	118.1	74%	0.74	66%	0.663	S	S	*	*			trans	-82	137.6	167.5	29.6	-31.6	0	0	0	113.2	A1725 I1769 S1770	P1723-A1725 HydrophobicContact CB-CB 4.22Å; P1723-A1725 PolarHBondContact O-N 3.07Å; P1723-I1769 WeakPolarHBondContact CA-O 3.14Å; P1723-S1770 VanDerWaalsContact CA-OG 3.23Å; P1723-S1770 WeakPolarHBondContact CA-OG 3.45Å; P1723-S1770 WeakPolarHBondContact CB-OG 3.4Å; P1723-S1770 WeakPolarHBondContact CD-OG 3.17Å; P1723-S1770 VanDerWaalsContact N-OG 3.15Å
1724	I	33.1	Very low	30.4	Very low	144 Å²	144	121.8 Å²	121.8	74%	0.738	68%	0.678	S	S	*	*			trans	-78.2	102.7	174.8	-57.9	176.3	0	0	0	110	P1722 M1726 P1767 I1769	P1722-I1724 PolarHBondContact O-N 2.9Å; I1724-M1726 HydrophobicContact CG2-CG 4.01Å; I1724-M1726 PolarHBondContact O-N 3.02Å; I1724-M1726 VanDerWaalsContact O-N 3.09Å; I1724-P1767 HydrophobicContact CD1-CB 4.46Å; I1724-I1769 HydrophobicContact CD1-CB 3.83Å; I1724-I1769 HydrophobicContact CD1-CD1 4.13Å; I1724-I1769 HydrophobicContact CD1-CG1 3.81Å; I1724-I1769 HydrophobicContact CG1-CB 4.2Å; I1724-I1769 PolarHBondContact N-O 3.11Å
1725	A	29.8	Very low	30.5	Very low	91.6 Å²	91.6	127.5 Å²	127.5	76%	0.757	69%	0.688	S	S	*	*			trans	-80	108.1	179.1	0	0	0	0	0	112	P1723 K1727	P1723-A1725 HydrophobicContact CB-CB 4.22Å; P1723-A1725 PolarHBondContact O-N 3.07Å; A1725-K1727 VanDerWaalsContact C-N 3.32Å; A1725-K1727 PolarHBondContact O-N 3.07Å
1726	M	30	Very low	30.5	Very low	175.2 Å²	175.2	130.7 Å²	130.7	86%	0.863	70%	0.696	S	S	*	*			trans	-87.9	114.8	166.6	-74.7	-171.9	-86.4	0	0	110.8	I1724 E1728	I1724-M1726 HydrophobicContact CG2-CG 4.01Å; I1724-M1726 PolarHBondContact O-N 3.02Å; I1724-M1726 VanDerWaalsContact O-N 3.09Å; M1726-E1728 PolarHBondContact O-N 2.87Å
1727	K	30	Very low	30.8	Very low	184.6 Å²	184.6	128.9 Å²	128.9	80%	0.803	70%	0.696	S	S	*	*			trans	-145.8	108.4	155.1	-166.9	163.4	-178.3	-165.9	0	111.4	A1725	A1725-K1727 VanDerWaalsContact C-N 3.32Å; A1725-K1727 PolarHBondContact O-N 3.07Å
1728	E	27.7	Very low	31	Very low	174 Å²	174	130.6 Å²	130.6	81%	0.813	71%	0.707	S	S	*	*			trans	-85.7	146.4	167.6	-119.1	164.5	-173.2	0	0	113	M1726 S1730	M1726-E1728 PolarHBondContact O-N 2.87Å; E1728-S1730 PolarHBondContact O-N 3.12Å
1729	M	30.2	Very low	30.9	Very low	162.6 Å²	162.6	133.6 Å²	133.6	80%	0.801	72%	0.719	S	S	*	*			trans	-98.2	124.9	-178.5	-137.5	96.8	-157	0	0	112.2
1730	S	28.2	Very low	31.3	Very low	87.2 Å²	87.2	135.9 Å²	135.9	61%	0.61	73%	0.73	S	S	*	*			trans	62.4	124.1	157	43.8	0	0	0	0	116.1	E1728	E1728-S1730 PolarHBondContact O-N 3.12Å
1731	V	32.6	Very low	31.5	Very low	107.6 Å²	107.6	139.4 Å²	139.4	65%	0.652	74%	0.74	S	S	*	*				120.7	118	66.8	165.7	0	0	0	0	115.9
1732	V	30.3	Very low	31.7	Very low	123 Å²	123	138.4 Å²	138.4	75%	0.745	75%	0.749	S	S	*	*			trans	-160.5	131	143.4	166.9	0	0	0	0	110.5	E1734	V1732-E1734 HydrophobicContact CG1-CG 3.93Å
1733	H	31.5	Very low	31.7	Very low	157.4 Å²	157.4	143.6 Å²	143.6	73%	0.729	76%	0.762	S	S	*	*			trans	-141.5	132.8	163.7	-112.8	-99	0	0	0	114.7
1734	E	32.4	Very low	31.6	Very low	152 Å²	152	147.3 Å²	147.3	71%	0.71	77%	0.766	S	S	*	*			trans	-145.7	147.6	141.8	-98.3	-156.4	133.2	0	0	109.7	V1732	V1732-E1734 HydrophobicContact CG1-CG 3.93Å
1735	K	31.4	Very low	31.5	Very low	170 Å²	170	148.6 Å²	148.6	74%	0.739	77%	0.774	S	S	*	*				94	122.2	113.5	-120.3	177.6	-179.7	165.6	0	116
1736	E	31.6	Very low	31.5	Very low	163 Å²	163	152 Å²	152	76%	0.762	77%	0.774	S	S	*	*				-1.7	165.6	129	-103.3	-154.8	99.4	0	0	118.1	T1738	E1736-T1738 PolarHBondContact OE1-N 3.14Å
1737	P	35	Very low	31.5	Very low	99.4 Å²	99.4	150.5 Å²	150.5	65%	0.645	78%	0.775	S	S	*	*				-122	-165.8	-128	38.1	-23	0	0	0	115.1
1738	T	33.4	Very low	31.2	Very low	123.6 Å²	123.6	150.9 Å²	150.9	76%	0.758	77%	0.771	S	S	*	*			trans	167.6	131.8	155.3	-14.2	0	0	0	0	113.8	E1736	E1736-T1738 PolarHBondContact OE1-N 3.14Å
1739	I	32	Very low	31.1	Very low	145 Å²	145	147.7 Å²	147.7	74%	0.744	77%	0.766	S	S	*	*				-101.3	129.8	115.1	-60.9	169.4	0	0	0	112.7
1740	L	35.8	Very low	31	Very low	159.8 Å²	159.8	145.8 Å²	145.8	84%	0.837	76%	0.76	S	S	*	*				-178.4	139.4	118	-105.7	165.1	0	0	0	114.3	G1742	L1740-G1742 PolarHBondContact O-N 3.02Å
1741	K	31.7	Very low	31.1	Very low	197.8 Å²	197.8	146.7 Å²	146.7	86%	0.86	77%	0.766	S	S	*	*			trans	-75.4	126.1	155.8	-77.1	177.3	-177.9	176.4	0	115.8	K1743	K1741-K1743 PolarHBondContact O-N 3.39Å
1742	G	33.7	Very low	30.8	Very low	77.4 Å²	77.4	147.2 Å²	147.2	80%	0.798	77%	0.769	S	S	*	*			trans	-120.5	117.4	164.8	0	0	0	0	0	117.8	L1740	L1740-G1742 PolarHBondContact O-N 3.02Å
1743	K	33.4	Very low	30.8	Very low	206.8 Å²	206.8	148.1 Å²	148.1	90%	0.899	77%	0.77	S	S	*	*			trans	-130.6	140.2	166.1	-76.8	-178.9	177.8	179	0	113.2	K1741	K1741-K1743 PolarHBondContact O-N 3.39Å
1744	K	29.6	Very low	30.7	Very low	191 Å²	191	148.4 Å²	148.4	83%	0.83	78%	0.776	S	S	*	*			trans	7.9	127.1	164.3	-75.8	-173.7	171.8	-172.6	0	114.1	Q1746	K1744-Q1746 PolarHBondContact O-N 3.16Å
1745	L	31.3	Very low	30.6	Very low	172.2 Å²	172.2	144.6 Å²	144.6	90%	0.902	78%	0.778	S	S	*	*				-94.9	133.1	122	-84.5	166.1	0	0	0	112.7
1746	Q	29	Very low	30.5	Very low	161.4 Å²	161.4	144.3 Å²	144.3	75%	0.754	78%	0.782	S	S	*	*			trans	-147.4	111.2	174.1	178.9	-178	29.2	0	0	109.5	K1744 R1748	K1744-Q1746 PolarHBondContact O-N 3.16Å; Q1746-R1748 PolarHBondContact O-N 2.77Å
1747	V	30	Very low	30.2	Very low	144.4 Å²	144.4	144.8 Å²	144.8	88%	0.875	79%	0.785	S	S	*	*			trans	-127.1	114.1	166.7	-176.1	0	0	0	0	107.7
1748	R	25.4	Very low	30	Very low	193.8 Å²	193.8	145.3 Å²	145.3	73%	0.731	79%	0.786	S	S	*	*			trans	-142.6	133.2	156.2	176	-179.3	176	138.6	5.9	107.9	Q1746 D1750	Q1746-R1748 PolarHBondContact O-N 2.77Å; R1748-D1750 WeakPolarHBondContact CD-OD2 3.4Å; R1748-D1750 VanDerWaalsContact CG-OD1 3.25Å; R1748-D1750 WeakPolarHBondContact CG-OD1 3.15Å; R1748-D1750 IonicContact CZ-OD1 3.52Å; R1748-D1750 VanDerWaalsContact CZ-OD1 3.27Å; R1748-D1750 IonicContact CZ-OD2 3.19Å; R1748-D1750 VanDerWaalsContact CZ-OD2 3.27Å; R1748-D1750 VanDerWaalsContact NE-CG 3.29Å; R1748-D1750 IonicContact NE-OD1 2.98Å; R1748-D1750 PolarHBondContact NE-OD1 3Å; R1748-D1750 IonicContact NE-OD2 2.84Å; R1748-D1750 PolarHBondContact NE-OD2 2.9Å; R1748-D1750 VanDerWaalsContact NH2-CG 3.32Å; R1748-D1750 IonicContact NH2-OD1 3.36Å; R1748-D1750 PolarHBondContact NH2-OD1 2.93Å; R1748-D1750 VanDerWaalsContact NH2-OD1 3.13Å; R1748-D1750 IonicContact NH2-OD2 2.97Å; R1748-D1750 PolarHBondContact NH2-OD2 3Å
1749	C	25.6	Very low	29.9	Very low	105.4 Å²	105.4	145.7 Å²	145.7	71%	0.712	78%	0.784	S	S	*	*			trans	-107.9	145.9	162.5	-64.5	0	0	0	0	110.8
1750	D	27.3	Very low	29.7	Very low	124.2 Å²	124.2	146.8 Å²	146.8	66%	0.664	79%	0.786	S	S	*	*			trans	-138.7	131.5	-156.3	-82.2	-23.1	0	0	0	109.1	R1748	R1748-D1750 WeakPolarHBondContact CD-OD2 3.4Å; R1748-D1750 VanDerWaalsContact CG-OD1 3.25Å; R1748-D1750 WeakPolarHBondContact CG-OD1 3.15Å; R1748-D1750 IonicContact CZ-OD1 3.52Å; R1748-D1750 VanDerWaalsContact CZ-OD1 3.27Å; R1748-D1750 IonicContact CZ-OD2 3.19Å; R1748-D1750 VanDerWaalsContact CZ-OD2 3.27Å; R1748-D1750 VanDerWaalsContact NE-CG 3.29Å; R1748-D1750 IonicContact NE-OD1 2.98Å; R1748-D1750 PolarHBondContact NE-OD1 3Å; R1748-D1750 IonicContact NE-OD2 2.84Å; R1748-D1750 PolarHBondContact NE-OD2 2.9Å; R1748-D1750 VanDerWaalsContact NH2-CG 3.32Å; R1748-D1750 IonicContact NH2-OD1 3.36Å; R1748-D1750 PolarHBondContact NH2-OD1 2.93Å; R1748-D1750 VanDerWaalsContact NH2-OD1 3.13Å; R1748-D1750 IonicContact NH2-OD2 2.97Å; R1748-D1750 PolarHBondContact NH2-OD2 3Å
1751	S	29.1	Very low	29.4	Very low	106 Å²	106	146.5 Å²	146.5	74%	0.741	78%	0.783	S	S	*	*			trans	-169	143.6	162.2	-94	0	0	0	0	112.5
1752	T	28.2	Very low	29.3	Very low	117.6 Å²	117.6	143 Å²	143	72%	0.721	78%	0.779	S	S	*	*				68.5	123.3	118.4	-8.9	0	0	0	0	116.1
1753	D	28.9	Very low	29.3	Very low	141 Å²	141	144.5 Å²	144.5	75%	0.754	77%	0.774	S	S	*	*				106.5	151.4	119	-89.5	-34.9	0	0	0	117.2
1754	L	29.9	Very low	29	Very low	165.2 Å²	165.2	142 Å²	142	87%	0.865	77%	0.769	S	S	*	*			trans	28.3	131.4	161.6	-76.1	82.4	0	0	0	116.5
1755	G	29.4	Very low	29	Very low	71.8 Å²	71.8	138.8 Å²	138.8	74%	0.74	77%	0.765	S	S	*	*				163.2	97.9	107.1	0	0	0	0	0	113.3	Q1757	G1755-Q1757 PolarHBondContact O-N 2.83Å
1756	I	29.1	Very low	28.8	Very low	162.6 Å²	162.6	138.3 Å²	138.3	83%	0.834	76%	0.759	S	S	*	*			trans	-123.5	118.9	144.4	-62.5	170.8	0	0	0	107.2
1757	Q	27	Very low	28.8	Very low	174.8 Å²	174.8	135.9 Å²	135.9	82%	0.817	76%	0.757	S	S	*	*				95.8	124.6	99.6	-140.2	177.3	0.5	0	0	113.9	G1755	G1755-Q1757 PolarHBondContact O-N 2.83Å
1758	T	29.6	Very low	28.6	Very low	109.2 Å²	109.2	134.8 Å²	134.8	67%	0.67	75%	0.751	S	S	*	*			trans	-128	139.8	136.2	-45.2	0	0	0	0	111.2
1759	D	31.5	Very low	28.7	Very low	133 Å²	133	132.2 Å²	132.2	71%	0.711	75%	0.75	S	S	*	*			trans	176.6	137.9	130.5	-79.2	-57.2	0	0	0	116.2
1760	Q	28.3	Very low	28.7	Very low	167.8 Å²	167.8	131.2 Å²	131.2	78%	0.784	74%	0.744	S	S	*	*			trans	78.6	126.1	132.4	-69.8	-144.3	40.5	0	0	118.8
1761	I	30.5	Very low	28.6	Very low	153.2 Å²	153.2	129.7 Å²	129.7	79%	0.786	74%	0.743	S	S	*	*			trans	171	117	146.1	-64.6	166.3	0	0	0	113.6	P1763	I1761-P1763 WeakPolarHBondContact O-CD 3.47Å
1762	T	29.1	Very low	28.5	Very low	123.8 Å²	123.8	129.2 Å²	129.2	76%	0.76	74%	0.736	S	S	*	*			trans	-110.1	127.2	156.8	-42.5	0	0	0	0	111.6	I1764	T1762-I1764 HydrophobicContact CG2-CG1 4.48Å
1763	P	32.3	Very low	28.4	Very low	108.4 Å²	108.4	130.3 Å²	130.3	70%	0.704	74%	0.735	S	S	*	*			trans	-105.3	142.2	176.7	34.8	-26.5	0	0	0	113.1	I1761 V1765	I1761-P1763 WeakPolarHBondContact O-CD 3.47Å; P1763-V1765 PolarHBondContact O-N 3.06Å
1764	I	28.5	Very low	28.3	Very low	154.4 Å²	154.4	130.5 Å²	130.5	79%	0.792	73%	0.731	S	S	*	*			trans	-82.2	104.4	172.4	-60.8	169.8	0	0	0	111.9	T1762	T1762-I1764 HydrophobicContact CG2-CG1 4.48Å
1765	V	28.5	Very low	28.2	Very low	124 Å²	124	128.1 Å²	128.1	75%	0.752	72%	0.723	S	S	*	*			trans	34.3	123	149.5	-178.6	0	0	0	0	115.7	P1763	P1763-V1765 PolarHBondContact O-N 3.06Å
1766	Q	27.2	Very low	28.1	Very low	163 Å²	163	131.4 Å²	131.4	76%	0.762	72%	0.723	S	S	*	*			trans	-131.1	119.6	151.2	-137	172.9	-20.9	0	0	114.5	T1768	Q1766-T1768 WeakPolarHBondContact O-CB 3.5Å; Q1766-T1768 PolarHBondContact O-N 2.95Å; Q1766-T1768 PolarHBondContact O-OG1 3.01Å
1767	P	28.5	Very low	28	Very low	111 Å²	111	128.6 Å²	128.6	72%	0.721	72%	0.715	S	S	*	*			trans	-77.5	117	-178.9	31	-33.6	0	0	0	111.5	I1724 I1769	I1724-P1767 HydrophobicContact CD1-CB 4.46Å; P1767-I1769 VanDerWaalsContact C-N 3.33Å; P1767-I1769 HydrophobicContact CB-CD1 4.12Å; P1767-I1769 HydrophobicContact CB-CG1 3.78Å; P1767-I1769 PolarHBondContact O-N 2.82Å; P1767-I1769 VanDerWaalsContact O-N 3.17Å
1768	T	27.7	Very low	28	Very low	120.8 Å²	120.8	126.9 Å²	126.9	74%	0.741	71%	0.712	S	S	*	*			trans	-94.3	111.7	166.7	-58.2	0	0	0	0	110.3	Q1766 S1770	Q1766-T1768 WeakPolarHBondContact O-CB 3.5Å; Q1766-T1768 PolarHBondContact O-N 2.95Å; Q1766-T1768 PolarHBondContact O-OG1 3.01Å; T1768-S1770 PolarHBondContact O-N 2.92Å
1769	I	25.7	Very low	27.8	Very low	139 Å²	139	127.8 Å²	127.8	71%	0.713	72%	0.717	S	S	*	*			trans	-89.9	128.6	175.9	-57.3	171.9	0	0	0	108.5	T1721 P1723 I1724 P1767 S1771	T1721-I1769 HydrophobicContact CG2-CG2 3.86Å; P1723-I1769 WeakPolarHBondContact CA-O 3.14Å; I1724-I1769 HydrophobicContact CD1-CB 3.83Å; I1724-I1769 HydrophobicContact CD1-CD1 4.13Å; I1724-I1769 HydrophobicContact CD1-CG1 3.81Å; I1724-I1769 HydrophobicContact CG1-CB 4.2Å; I1724-I1769 PolarHBondContact N-O 3.11Å; P1767-I1769 VanDerWaalsContact C-N 3.33Å; P1767-I1769 HydrophobicContact CB-CD1 4.12Å; P1767-I1769 HydrophobicContact CB-CG1 3.78Å; P1767-I1769 PolarHBondContact O-N 2.82Å; P1767-I1769 VanDerWaalsContact O-N 3.17Å; I1769-S1771 PolarHBondContact O-N 2.93Å
1770	S	26	Very low	27.6	Very low	84.8 Å²	84.8	126.5 Å²	126.5	59%	0.593	72%	0.719	S	S	*	*			trans	-147.8	103.4	167.9	-165.2	0	0	0	0	111.9	T1721 P1723 T1768 T1772	T1721-S1770 WeakPolarHBondContact O-CA 3.21Å; T1721-S1770 PolarHBondContact O-OG 3.21Å; P1723-S1770 VanDerWaalsContact CA-OG 3.23Å; P1723-S1770 WeakPolarHBondContact CA-OG 3.45Å; P1723-S1770 WeakPolarHBondContact CB-OG 3.4Å; P1723-S1770 WeakPolarHBondContact CD-OG 3.17Å; P1723-S1770 VanDerWaalsContact N-OG 3.15Å; T1768-S1770 PolarHBondContact O-N 2.92Å; S1770-T1772 PolarHBondContact O-N 3.16Å; S1770-T1772 PolarHBondContact O-OG1 3.19Å; S1770-T1772 PolarHBondContact OG-OG1 3.34Å
1771	S	25.6	Very low	27.4	Very low	93 Å²	93	127.4 Å²	127.4	65%	0.65	72%	0.723	S	S	*	*			trans	-90.4	117	158	-103.4	0	0	0	0	109.9	D1719 T1721 I1769 M1773	D1719-S1771 WeakPolarHBondContact OD2-CB 3.12Å; D1719-S1771 PolarHBondContact OD2-OG 3.27Å; T1721-S1771 WeakPolarHBondContact CB-OG 3.24Å; T1721-S1771 PolarHBondContact O-N 2.8Å; I1769-S1771 PolarHBondContact O-N 2.93Å; S1771-M1773 VanDerWaalsContact C-N 3.35Å; S1771-M1773 PolarHBondContact O-N 3.21Å
1772	T	27.1	Very low	27.2	Very low	95.4 Å²	95.4	124.4 Å²	124.4	59%	0.585	72%	0.715	S	S	*	*			trans	-108.7	113.5	175.1	-64.6	0	0	0	0	110.4	C1646 S1770 H1774	C1646-T1772 PolarHBondContact SG-O 2.83Å; S1770-T1772 PolarHBondContact O-N 3.16Å; S1770-T1772 PolarHBondContact O-OG1 3.19Å; S1770-T1772 PolarHBondContact OG-OG1 3.34Å; T1772-H1774 VanDerWaalsContact C-N 3.3Å; T1772-H1774 WeakPolarHBondContact CG2-NE2 3.32Å; T1772-H1774 PolarHBondContact O-N 2.93Å; T1772-H1774 VanDerWaalsContact O-N 3.15Å
1773	M	25.2	Very low	27	Very low	140.8 Å²	140.8	124 Å²	124	69%	0.694	71%	0.713	S	S	*	*			trans	-96.7	124.7	167.1	-71.3	-153.7	-66.6	0	0	109.3	V1648 D1649 V1650 V1718 L1720 S1771 T1775	V1648-M1773 HydrophobicContact CG1-CB 4.41Å; D1649-M1773 WeakPolarHBondContact O-CG 3.35Å; V1650-M1773 HydrophobicContact CG1-SD 4.11Å; V1650-M1773 HydrophobicContact CG2-CB 4.38Å; V1650-M1773 HydrophobicContact CG2-CG 4.26Å; V1650-M1773 HydrophobicContact CG2-SD 4.4Å; V1718-M1773 HydrophobicContact CG1-CE 3.75Å; V1718-M1773 HydrophobicContact CG1-SD 3.96Å; V1718-M1773 HydrophobicContact CG2-SD 3.84Å; L1720-M1773 HydrophobicContact CD2-CE 4.28Å; S1771-M1773 VanDerWaalsContact C-N 3.35Å; S1771-M1773 PolarHBondContact O-N 3.21Å; M1773-T1775 PolarHBondContact O-N 3.03Å
1774	H	27.8	Very low	26.6	Very low	144.4 Å²	144.4	125.3 Å²	125.3	67%	0.669	71%	0.71	S	S	*	*			trans	-103.8	96.4	179.7	-100.7	-77.4	0	0	0	111.2	V1648 T1772 L1776	V1648-H1774 HydrophobicContact CG2-CB 3.92Å; V1648-H1774 VanDerWaalsContact CG2-N 3.29Å; T1772-H1774 VanDerWaalsContact C-N 3.3Å; T1772-H1774 WeakPolarHBondContact CG2-NE2 3.32Å; T1772-H1774 PolarHBondContact O-N 2.93Å; T1772-H1774 VanDerWaalsContact O-N 3.15Å; H1774-L1776 PolarHBondContact O-N 3.11Å
1775	T	26.8	Very low	26.5	Very low	114.8 Å²	114.8	123.6 Å²	123.6	70%	0.704	71%	0.707	S	S	*	*			trans	-55.2	103.3	147	4	0	0	0	0	110.8	I1638 E1640 M1773 P1777	I1638-T1775 HydrophobicContact CD1-CG2 4.21Å; E1640-T1775 WeakPolarHBondContact OE1-CA 3.06Å; E1640-T1775 WeakPolarHBondContact OE2-CA 3.41Å; E1640-T1775 WeakPolarHBondContact OE2-CG2 3.3Å; M1773-T1775 PolarHBondContact O-N 3.03Å; T1775-P1777 WeakPolarHBondContact O-CD 3.4Å
1776	L	28.2	Very low	26.3	Very low	140.6 Å²	140.6	123.8 Å²	123.8	74%	0.736	70%	0.702	S	S	*	*			trans	-111.8	114.5	169.5	-148.8	74.4	0	0	0	110.1	E1640 E1641 H1774 N1778	E1640-L1776 PolarHBondContact OE1-N 3.08Å; E1641-L1776 HydrophobicContact CB-CB 3.84Å; E1641-L1776 HydrophobicContact CB-CD2 3.51Å; E1641-L1776 HydrophobicContact CB-CG 4.3Å; E1641-L1776 HydrophobicContact CG-CD2 3.78Å; H1774-L1776 PolarHBondContact O-N 3.11Å; L1776-N1778 PolarHBondContact O-N 3.06Å
1777	P	26.6	Very low	26.5	Very low	104 Å²	104	121.4 Å²	121.4	68%	0.675	70%	0.701	S	S	*	*			trans	-83.6	127.8	-171.8	32.7	-35.1	0	0	0	112.6	E1640 T1775 T1779	E1640-P1777 WeakPolarHBondContact OE1-CD 3.17Å; T1775-P1777 WeakPolarHBondContact O-CD 3.4Å; P1777-T1779 VanDerWaalsContact C-N 3.29Å; P1777-T1779 PolarHBondContact O-N 3.02Å; P1777-T1779 VanDerWaalsContact O-N 3.1Å; P1777-T1779 PolarHBondContact O-OG1 2.88Å
1778	N	27.5	Very low	26.6	Very low	138.6 Å²	138.6	120.9 Å²	120.9	74%	0.741	70%	0.696	S	S	*	*			trans	-100.9	105	165.9	-107.9	-9.3	0	0	0	111	L1776 S1780	L1776-N1778 PolarHBondContact O-N 3.06Å; N1778-S1780 PolarHBondContact O-N 2.99Å
1779	T	25.5	Very low	26.6	Very low	129.2 Å²	129.2	123.1 Å²	123.1	79%	0.793	70%	0.695	S	S	*	*			trans	-72.5	106.5	157.3	44.6	0	0	0	0	111.6	P1777 Q1781	P1777-T1779 VanDerWaalsContact C-N 3.29Å; P1777-T1779 PolarHBondContact O-N 3.02Å; P1777-T1779 VanDerWaalsContact O-N 3.1Å; P1777-T1779 PolarHBondContact O-OG1 2.88Å; T1779-Q1781 PolarHBondContact O-N 2.93Å
1780	S	26.2	Very low	26.7	Very low	106.2 Å²	106.2	122.8 Å²	122.8	74%	0.743	69%	0.694	S	S	*	*			trans	-100.5	110.5	166.9	-48.9	0	0	0	0	110	N1778 S1782	N1778-S1780 PolarHBondContact O-N 2.99Å; S1780-S1782 PolarHBondContact O-N 3.45Å
1781	Q	25.4	Very low	26.7	Very low	185.6 Å²	185.6	122.2 Å²	122.2	87%	0.867	69%	0.694	S	S	*	*			trans	-98.9	122	166.3	-74.4	-174.2	-19.9	0	0	110.6	T1779	T1779-Q1781 PolarHBondContact O-N 2.93Å
1782	S	25.1	Very low	26.8	Very low	90.2 Å²	90.2	124.2 Å²	124.2	63%	0.631	70%	0.698	S	S	*	*			trans	-97.6	120.2	159.2	177.4	0	0	0	0	109.3	S1780 Y2454	S1780-S1782 PolarHBondContact O-N 3.45Å; S1782-Y2454 WeakPolarHBondContact CB-OH 3.17Å
1783	T	25	Very low	26.8	Very low	116.2 Å²	116.2	125.1 Å²	125.1	71%	0.713	70%	0.703	S	S	*	*			trans	-141.6	106.6	146.5	-61.6	0	0	0	0	109.7	T1785	T1783-T1785 PolarHBondContact O-N 3.22Å
1784	Q	24	Very low	26.8	Very low	136.2 Å²	136.2	127.1 Å²	127.1	64%	0.636	71%	0.708	S	S	*	*			trans	-63.9	140	168.4	-162.7	-179.6	51.1	0	0	112.2	I1786	Q1784-I1786 HydrophobicContact CG-CD1 4.42Å; Q1784-I1786 HydrophobicContact CG-CG1 4.13Å; Q1784-I1786 HydrophobicContact CG-CG2 3.84Å
1785	T	27	Very low	26.6	Very low	118.8 Å²	118.8	124.6 Å²	124.6	73%	0.729	71%	0.706	S	S	*	*			trans	-148.6	132.1	147.2	-49.7	0	0	0	0	112	T1783 P1787	T1783-T1785 PolarHBondContact O-N 3.22Å; T1785-P1787 WeakPolarHBondContact O-CD 3.49Å
1786	I	25.3	Very low	26.5	Very low	127.2 Å²	127.2	125.6 Å²	125.6	65%	0.652	70%	0.703	S	S	*	*			trans	-106.8	131.8	176.6	-34.3	170.3	0	0	0	112.1	Q1784 T1788	Q1784-I1786 HydrophobicContact CG-CD1 4.42Å; Q1784-I1786 HydrophobicContact CG-CG1 4.13Å; Q1784-I1786 HydrophobicContact CG-CG2 3.84Å; I1786-T1788 WeakPolarHBondContact CG2-OG1 3.43Å; I1786-T1788 PolarHBondContact O-N 3.02Å
1787	P	31.3	Very low	26.3	Very low	111.8 Å²	111.8	123.1 Å²	123.1	73%	0.726	69%	0.694	S	S	*	*			trans	-83.1	141	176.7	19.3	-9.9	0	0	0	110.8	T1684 K1685 T1785	T1684-P1787 CarbonylContact O-C 3.59Å; T1684-P1787 WeakPolarHBondContact O-CA 3.15Å; K1685-P1787 HydrophobicContact CB-CB 4.49Å; K1685-P1787 HydrophobicContact CG-CB 4.24Å; T1785-P1787 WeakPolarHBondContact O-CD 3.49Å
1788	T	29.8	Very low	26.2	Very low	100.4 Å²	100.4	122.4 Å²	122.4	62%	0.616	69%	0.688	S	S	*	*			trans	-112.7	146.9	176.9	-46.1	0	0	0	0	111.8	I1682 P1683 T1684 I1786 L1790	I1682-T1788 HydrophobicContact CG2-CG2 4.07Å; P1683-T1788 WeakPolarHBondContact CA-OG1 3.37Å; P1683-T1788 HydrophobicContact CB-CG2 3.82Å; T1684-T1788 PolarHBondContact N-OG1 3.3Å; T1684-T1788 PolarHBondContact O-N 2.89Å; T1684-T1788 PolarHBondContact O-OG1 3.28Å; I1786-T1788 WeakPolarHBondContact CG2-OG1 3.43Å; I1786-T1788 PolarHBondContact O-N 3.02Å; T1788-L1790 PolarHBondContact O-N 3.1Å
1789	K	27	Very low	26.2	Very low	168.6 Å²	168.6	121.1 Å²	121.1	73%	0.733	68%	0.68	S	S	*	*			trans	-35.4	131.6	175.5	-54.5	-178.2	-179.5	-174.4	0	114.8
1790	L	29	Very low	26.4	Very low	131.4 Å²	131.4	118.4 Å²	118.4	69%	0.688	67%	0.667	S	S	*	*			trans	-160.5	138.8	136.4	-109.7	148.9	0	0	0	106.6	P1683 K1685 T1788 F1794	P1683-L1790 HydrophobicContact CB-CD1 3.81Å; P1683-L1790 HydrophobicContact CB-CG 4.39Å; P1683-L1790 HydrophobicContact CG-CD1 4.07Å; K1685-L1790 HydrophobicContact CB-CB 3.61Å; K1685-L1790 HydrophobicContact CB-CD1 3.9Å; K1685-L1790 HydrophobicContact CB-CG 4.43Å; K1685-L1790 HydrophobicContact CD-CB 3.63Å; K1685-L1790 WeakPolarHBondContact CD-O 3.26Å; K1685-L1790 HydrophobicContact CG-CB 4.1Å; K1685-L1790 PolarHBondContact NZ-O 3.38Å; T1788-L1790 PolarHBondContact O-N 3.1Å; L1790-F1794 VanDerWaalsContact O-CE2 3.23Å; L1790-F1794 WeakPolarHBondContact O-CE2 3.49Å
1791	A	26.6	Very low	26.4	Very low	72 Å²	72	117 Å²	117	60%	0.595	66%	0.657	S	S	*	*			trans	-57.1	134.9	147.3	0	0	0	0	0	112.5	K1685	K1685-A1791 WeakPolarHBondContact CD-O 3.19Å; K1685-A1791 PolarHBondContact NZ-O 3.05Å
1792	D	27	Very low	26.8	Very low	136.2 Å²	136.2	113 Å²	113	73%	0.728	64%	0.641	S	S	*	*			trans	-169.1	121.9	146.7	-90.6	-47.3	0	0	0	111.1	D1688 F1794	D1688-D1792 PolarHBondContact OD2-N 2.72Å; D1792-F1794 HydrophobicContact CB-CZ 4.4Å; D1792-F1794 WeakPolarHBondContact O-CD2 3.16Å; D1792-F1794 WeakPolarHBondContact O-CE1 3.47Å; D1792-F1794 WeakPolarHBondContact O-CE2 3.08Å; D1792-F1794 WeakPolarHBondContact O-CZ 3.03Å; D1792-F1794 PolarHBondContact O-N 3.1Å
1793	T	26.1	Very low	27.2	Very low	114.8 Å²	114.8	112.3 Å²	112.3	70%	0.704	63%	0.632	S	S	*	*			trans	-170.3	124.2	154.3	-46.2	0	0	0	0	114.5	D1688 F1690	D1688-T1793 HydrophobicContact CB-CG2 4.19Å; D1688-T1793 PolarHBondContact OD2-N 2.77Å; F1690-T1793 HydrophobicContact CD2-CG2 3.86Å; F1690-T1793 HydrophobicContact CE2-CG2 4.45Å
1794	F	25	Very low	27.5	Very low	181 Å²	181	112.8 Å²	112.8	79%	0.794	62%	0.622	S	S	*	*			trans	-142.4	125.1	157.5	-75.3	-80.8	0	0	0	112.9	F1690 L1790 D1792	F1690-F1794 HydrophobicContact CE2-CB 4.24Å; F1690-F1794 HydrophobicContact CZ-CB 3.75Å; F1690-F1794 HydrophobicContact CZ-CD1 4.39Å; F1690-F1794 HydrophobicContact CZ-CG 4.44Å; L1790-F1794 VanDerWaalsContact O-CE2 3.23Å; L1790-F1794 WeakPolarHBondContact O-CE2 3.49Å; D1792-F1794 HydrophobicContact CB-CZ 4.4Å; D1792-F1794 WeakPolarHBondContact O-CD2 3.16Å; D1792-F1794 WeakPolarHBondContact O-CE1 3.47Å; D1792-F1794 WeakPolarHBondContact O-CE2 3.08Å; D1792-F1794 WeakPolarHBondContact O-CZ 3.03Å; D1792-F1794 PolarHBondContact O-N 3.1Å
1795	C	24.2	Very low	28.2	Very low	92.4 Å²	92.4	111.7 Å²	111.7	62%	0.624	62%	0.62	S	S	*	*			trans	-91.3	134.6	158.3	-63.6	0	0	0	0	116.8	T1689 F1690 C1691 T1797 Q1900	T1689-C1795 PolarHBondContact O-SG 2.69Å; F1690-C1795 WeakPolarHBondContact CA-O 3.45Å; F1690-C1795 HydrophobicContact CD1-CB 3.93Å; F1690-C1795 WeakPolarHBondContact CD1-O 3.23Å; F1690-C1795 HydrophobicContact CD2-CB 3.18Å; F1690-C1795 WeakPolarHBondContact CD2-SG 3.49Å; F1690-C1795 HydrophobicContact CE1-CB 3.46Å; F1690-C1795 VanDerWaalsContact CE1-CB 3.46Å; F1690-C1795 HydrophobicContact CE2-CB 2.6Å; F1690-C1795 WeakPolarHBondContact CE2-SG 3.07Å; F1690-C1795 HydrophobicContact CG-CB 3.8Å; F1690-C1795 WeakPolarHBondContact CG-O 3.43Å; F1690-C1795 VanDerWaalsContact CZ-C 3.41Å; F1690-C1795 HydrophobicContact CZ-CB 2.75Å; C1691-C1795 PolarHBondContact N-O 2.84Å; C1691-C1795 VanDerWaalsContact N-O 3.15Å; C1795-T1797 VanDerWaalsContact C-N 3.27Å; C1795-T1797 PolarHBondContact O-N 3.28Å; C1795-T1797 PolarHBondContact O-OG1 3.46Å; C1795-T1797 VanDerWaalsContact O-OG1 3.13Å; C1795-Q1900 PolarHBondContact O-N 3.11Å; C1795-Q1900 VanDerWaalsContact O-N 3.07Å
1796	Q	24.3	Very low	28.9	Very low	135.2 Å²	135.2	109.4 Å²	109.4	63%	0.632	61%	0.606	S	S	*	*			trans	-138.2	120.8	156.2	-127.6	162.9	69	0	0	112.9	F1690 C1691 Q1692 T1798 Q1900	F1690-Q1796 HydrophobicContact CD1-CB 4.04Å; F1690-Q1796 HydrophobicContact CE1-CB 3.79Å; C1691-Q1796 CarbonylContact O-C 3.42Å; Q1692-Q1796 HydrophobicContact CB-CB 4.45Å; Q1692-Q1796 VanDerWaalsContact NE2-CG 3.3Å; Q1692-Q1796 PolarHBondContact NE2-O 2.81Å; Q1796-T1798 PolarHBondContact O-N 3.17Å; Q1796-Q1900 WeakPolarHBondContact CA-O 3.22Å
1797	T	24	Very low	29.5	Very low	89.4 Å²	89.4	107.2 Å²	107.2	55%	0.548	59%	0.593	S	S	.	*			trans	-88.1	123.8	-177	-45.3	0	0	0	0	111.5	C1691 L1695 C1795 Q1900 T1902	C1691-T1797 HydrophobicContact CB-CG2 4.37Å; C1691-T1797 PolarHBondContact N-OG1 3.5Å; C1691-T1797 WeakPolarHBondContact O-CA 3.42Å; C1691-T1797 VanDerWaalsContact O-CB 3.28Å; C1691-T1797 WeakPolarHBondContact O-CB 3.31Å; C1691-T1797 PolarHBondContact O-N 2.98Å; C1691-T1797 VanDerWaalsContact O-N 3.16Å; C1691-T1797 PolarHBondContact O-OG1 3.1Å; L1695-T1797 HydrophobicContact CD1-CG2 3.85Å; C1795-T1797 VanDerWaalsContact C-N 3.27Å; C1795-T1797 PolarHBondContact O-N 3.28Å; C1795-T1797 PolarHBondContact O-OG1 3.46Å; C1795-T1797 VanDerWaalsContact O-OG1 3.13Å; T1797-Q1900 PolarHBondContact N-O 2.91Å; T1797-T1902 PolarHBondContact O-N 3.28Å
1798	T	25.9	Very low	29.8	Very low	89.2 Å²	89.2	106.5 Å²	106.5	55%	0.547	58%	0.582	S	S	.	*			trans	-115.3	120.3	172.5	-39.8	0	0	0	0	109	Q1692 T1693 L1695 Q1796 S1800	Q1692-T1798 PolarHBondContact OE1-OG1 3.25Å; T1693-T1798 PolarHBondContact O-N 3.19Å; T1693-T1798 VanDerWaalsContact O-O 3.09Å; L1695-T1798 PolarHBondContact N-O 3.03Å; L1695-T1798 VanDerWaalsContact N-O 3.09Å; Q1796-T1798 PolarHBondContact O-N 3.17Å; T1798-S1800 PolarHBondContact O-N 2.86Å
1799	L	27.1	Very low	30	Very low	110.4 Å²	110.4	106.5 Å²	106.5	58%	0.578	58%	0.575	S	S	*	*			trans	-95.3	132.5	174.5	-73.7	166.9	0	0	0	109.7	L1695 S1801 T1901 T1902 L1903 S1904	L1695-L1799 HydrophobicContact CB-CD2 4.26Å; L1695-L1799 HydrophobicContact CD1-CD2 3.68Å; L1695-L1799 VanDerWaalsContact CD1-CD2 3.42Å; L1695-L1799 HydrophobicContact CD1-CG 3.95Å; L1695-L1799 HydrophobicContact CG-CD2 4.42Å; L1799-S1801 PolarHBondContact O-N 3.02Å; L1799-T1901 HydrophobicContact CD1-CG2 3.72Å; L1799-T1901 HydrophobicContact CG-CG2 4.46Å; L1799-T1902 PolarHBondContact N-O 3.35Å; L1799-L1903 HydrophobicContact CD1-CD2 3.59Å; L1799-L1903 HydrophobicContact CD1-CG 4.31Å; L1799-S1904 WeakPolarHBondContact O-CB 3.47Å; L1799-S1904 PolarHBondContact O-OG 3.3Å
1800	S	28.9	Very low	30.3	Very low	73.4 Å²	73.4	102.1 Å²	102.1	51%	0.513	57%	0.566	S	S	.	*			trans	-92.1	141	171.8	-56.6	0	0	0	0	110.4	L1695 T1798 I1802	L1695-S1800 WeakPolarHBondContact O-CB 3.2Å; L1695-S1800 PolarHBondContact O-N 3.1Å; L1695-S1800 VanDerWaalsContact O-N 3.09Å; L1695-S1800 PolarHBondContact O-OG 3.19Å; T1798-S1800 PolarHBondContact O-N 2.86Å; S1800-I1802 PolarHBondContact O-N 3.05Å
1801	S	27.5	Very low	30.4	Very low	77.2 Å²	77.2	98 Å²	98	54%	0.54	56%	0.555	S	S	.	*			trans	-76.1	124.6	175.3	-15.1	0	0	0	0	111.2	S1697 L1799 S1905	S1697-S1801 VanDerWaalsContact CB-O 3.3Å; S1697-S1801 WeakPolarHBondContact CB-O 3.39Å; L1799-S1801 PolarHBondContact O-N 3.02Å; S1801-S1905 WeakPolarHBondContact CB-O 3.3Å
1802	I	33.3	Very low	30.8	Very low	101.8 Å²	101.8	98 Å²	98	52%	0.522	55%	0.548	S	S	.	.			trans	-91.5	118.6	162.5	-19.5	171.2	0	0	0	107.3	Y1700 S1800 Y1804 T1907	Y1700-I1802 HydrophobicContact CD2-CG2 4.42Å; Y1700-I1802 HydrophobicContact CE2-CG2 4.34Å; S1800-I1802 PolarHBondContact O-N 3.05Å; I1802-Y1804 HydrophobicContact CB-CD2 4.37Å; I1802-Y1804 HydrophobicContact CB-CE2 4.23Å; I1802-Y1804 HydrophobicContact CD1-CE2 4.33Å; I1802-Y1804 HydrophobicContact CG2-CD2 4.19Å; I1802-Y1804 HydrophobicContact CG2-CE2 3.55Å; I1802-Y1804 VanDerWaalsContact CG2-CE2 3.48Å; I1802-T1907 PolarHBondContact O-N 2.87Å
1803	T	31.9	Very low	31.1	Very low	74 Å²	74	97.3 Å²	97.3	45%	0.454	54%	0.543	S	S	.	.			trans	-113.6	129.4	176.2	55.1	0	0	0	0	109.5	I1698 T1699 Y1700	I1698-T1803 PolarHBondContact O-N 2.83Å; T1699-T1803 WeakPolarHBondContact CG2-OG1 3.45Å; Y1700-T1803 PolarHBondContact N-O 2.82Å; Y1700-T1803 VanDerWaalsContact N-O 3.09Å
1804	Y	33.3	Very low	31.6	Very low	127.2 Å²	127.2	96.6 Å²	96.6	50%	0.499	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	106.2	174.2	-68.8	-77.5	0	0	0	108.3	Y1700 Q1703 I1802 I1906 T1907 Y1908 D1909	Y1700-Y1804 AromaticContact CD2-CD1 3.82Å; Y1700-Y1804 HydrophobicContact CD2-CD1 3.93Å; Y1700-Y1804 AromaticContact CD2-CE1 3.46Å; Y1700-Y1804 HydrophobicContact CD2-CE1 3.46Å; Y1700-Y1804 VanDerWaalsContact CD2-CE1 3.42Å; Y1700-Y1804 AromaticContact CD2-CZ 3.95Å; Y1700-Y1804 AromaticContact CE2-CE1 3.88Å; Y1700-Y1804 HydrophobicContact CE2-CE1 3.98Å; Y1700-Y1804 HydrophobicContact CG-CD1 4.25Å; Y1700-Y1804 AromaticContact CG-CE1 3.89Å; Y1700-Y1804 HydrophobicContact CG-CE1 4.07Å; Y1700-Y1804 WeakPolarHBondContact O-CA 3.22Å; Q1703-Y1804 HydrophobicContact CB-CD1 4.33Å; Q1703-Y1804 HydrophobicContact CB-CE1 4.47Å; I1802-Y1804 HydrophobicContact CB-CD2 4.37Å; I1802-Y1804 HydrophobicContact CB-CE2 4.23Å; I1802-Y1804 HydrophobicContact CD1-CE2 4.33Å; I1802-Y1804 HydrophobicContact CG2-CD2 4.19Å; I1802-Y1804 HydrophobicContact CG2-CE2 3.55Å; I1802-Y1804 VanDerWaalsContact CG2-CE2 3.48Å; Y1804-I1906 HydrophobicContact CD2-CG2 4.24Å; Y1804-I1906 HydrophobicContact CE2-CG2 4.12Å; Y1804-T1907 PolarHBondContact N-O 3Å; Y1804-T1907 VanDerWaalsContact N-O 3.14Å; Y1804-Y1908 AromaticContact CD2-CD1 3.66Å; Y1804-Y1908 HydrophobicContact CD2-CD1 3.66Å; Y1804-Y1908 AromaticContact CD2-CE1 3.55Å; Y1804-Y1908 HydrophobicContact CD2-CE1 3.55Å; Y1804-Y1908 HydrophobicContact CE2-CD1 4.41Å; Y1804-Y1908 AromaticContact CE2-CE1 3.84Å; Y1804-Y1908 HydrophobicContact CE2-CE1 3.84Å; Y1804-Y1908 HydrophobicContact CG-CD1 4.13Å; Y1804-Y1908 HydrophobicContact CG-CE1 4.3Å; Y1804-D1909 PolarHBondContact O-N 2.86Å
1805	D	38.4	Very low	32	Very low	113 Å²	113	91.4 Å²	91.4	60%	0.604	52%	0.517	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.6	102.6	174.8	-73.4	-22.3	0	0	0	107.9	Y1700 D1701 V1702	Y1700-D1805 PolarHBondContact O-N 3.06Å; Y1700-D1805 VanDerWaalsContact O-N 3.08Å; D1701-D1805 WeakPolarHBondContact O-CB 3.33Å; D1701-D1805 PolarHBondContact O-N 2.93Å; V1702-D1805 PolarHBondContact N-O 3.16Å; V1702-D1805 VanDerWaalsContact N-O 3.08Å
1806	V	41.4	Very low	32.6	Very low	70.8 Å²	70.8	91.9 Å²	91.9	43%	0.429	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	114.1	-178.6	-149.9	0	0	0	0	112.2	D1701 V1702 Q1703 I1808 D1909 V1910 Q1911	D1701-V1806 PolarHBondContact O-N 2.83Å; D1701-V1806 VanDerWaalsContact O-N 3.08Å; V1702-V1806 WeakPolarHBondContact CA-O 3.44Å; V1702-V1806 HydrophobicContact CB-CG1 4.43Å; V1702-V1806 HydrophobicContact CB-CG2 4.41Å; V1702-V1806 HydrophobicContact CG1-CB 4.28Å; V1702-V1806 HydrophobicContact CG2-CB 4.27Å; V1702-V1806 WeakPolarHBondContact O-CA 3.22Å; Q1703-V1806 PolarHBondContact N-O 3.34Å; V1806-I1808 HydrophobicContact CG1-CD1 4.14Å; V1806-I1808 HydrophobicContact CG1-CG1 4.03Å; V1806-D1909 PolarHBondContact N-O 3.4Å; V1806-V1910 HydrophobicContact CB-CG1 4.41Å; V1806-V1910 HydrophobicContact CB-CG2 4.31Å; V1806-V1910 WeakPolarHBondContact O-CA 3.42Å; V1806-Q1911 PolarHBondContact O-N 2.71Å; V1806-Q1911 VanDerWaalsContact O-N 3.08Å
1807	Q	37.2	Very low	33.1	Very low	81.8 Å²	81.8	91 Å²	91	38%	0.382	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	119.3	173.1	-174.6	-174.5	72.4	0	0	109.8	V1702 Q1703 I1704 Q1809 T2556	V1702-Q1807 PolarHBondContact O-N 3.13Å; V1702-Q1807 VanDerWaalsContact O-N 3.17Å; Q1703-Q1807 HydrophobicContact CG-CB 4.45Å; Q1703-Q1807 WeakPolarHBondContact O-CA 3.26Å; I1704-Q1807 PolarHBondContact N-O 3.1Å; I1704-Q1807 VanDerWaalsContact N-O 3.07Å; Q1807-Q1809 HydrophobicContact CG-CG 4.38Å; Q1807-T2556 PolarHBondContact OE1-O 2.91Å
1808	I	37.8	Very low	33.3	Very low	96.2 Å²	96.2	89.8 Å²	89.8	49%	0.493	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	129.6	177.3	-55.6	177.8	0	0	0	109.3	Q1703 I1704 Q1705 V1806 Q1911 I1912 Q1913	Q1703-I1808 PolarHBondContact O-N 2.85Å; I1704-I1808 HydrophobicContact CB-CG1 4.44Å; I1704-I1808 HydrophobicContact CG1-CB 4.41Å; I1704-I1808 HydrophobicContact CG1-CD1 4.49Å; I1704-I1808 HydrophobicContact CG2-CB 4.45Å; I1704-I1808 WeakPolarHBondContact O-CA 3.38Å; Q1705-I1808 PolarHBondContact N-O 2.88Å; V1806-I1808 HydrophobicContact CG1-CD1 4.14Å; V1806-I1808 HydrophobicContact CG1-CG1 4.03Å; I1808-Q1911 PolarHBondContact N-O 2.89Å; I1808-I1912 HydrophobicContact CB-CG1 4.38Å; I1808-I1912 HydrophobicContact CD1-CG1 4.37Å; I1808-I1912 WeakPolarHBondContact O-CA 3.48Å; I1808-Q1913 PolarHBondContact O-N 2.95Å
1809	Q	34.2	Very low	33.6	Very low	100.6 Å²	100.6	91.5 Å²	91.5	47%	0.47	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	135.8	178.4	-74.5	-174.9	25.7	0	0	110.7	I1704 Q1705 S1706 Q1807 T2557	I1704-Q1809 PolarHBondContact O-N 3.16Å; I1704-Q1809 VanDerWaalsContact O-N 3.13Å; Q1705-Q1809 WeakPolarHBondContact O-CA 3.35Å; S1706-Q1809 PolarHBondContact N-O 3.32Å; Q1807-Q1809 HydrophobicContact CG-CG 4.38Å; Q1809-T2557 PolarHBondContact NE2-OG1 3.45Å
1810	S	33.3	Very low	33.7	Very low	75.8 Å²	75.8	92.8 Å²	92.8	53%	0.53	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	140	177.2	-175.6	0	0	0	0	111.7	Q1705 S1706 G1707 Q1913 S1914 G1915	Q1705-S1810 PolarHBondContact O-N 3.04Å; Q1705-S1810 VanDerWaalsContact O-N 3.14Å; S1706-S1810 WeakPolarHBondContact CA-O 3.45Å; S1706-S1810 VanDerWaalsContact O-CA 3.29Å; S1706-S1810 WeakPolarHBondContact O-CA 3.35Å; S1706-S1810 PolarHBondContact O-OG 3.15Å; G1707-S1810 PolarHBondContact N-O 3.36Å; S1810-Q1913 PolarHBondContact N-O 2.77Å; S1810-S1914 VanDerWaalsContact O-CA 3.28Å; S1810-S1914 WeakPolarHBondContact O-CA 3.49Å; S1810-G1915 PolarHBondContact O-N 3.38Å
1811	G	31.6	Very low	33.7	Very low	46 Å²	46	95 Å²	95	47%	0.474	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	140.7	178.8	0	0	0	0	0	112.4	S1706 G1707 V1708 G1915	S1706-G1811 PolarHBondContact O-N 3.15Å; S1706-G1811 VanDerWaalsContact O-N 3.16Å; G1707-G1811 CarbonylContact C-O 3.59Å; G1707-G1811 WeakPolarHBondContact CA-O 3.42Å; G1707-G1811 WeakPolarHBondContact O-CA 3.46Å; V1708-G1811 PolarHBondContact N-O 3.27Å; G1811-G1915 WeakPolarHBondContact CA-O 3.4Å
1812	V	35	Very low	34.2	Very low	71.8 Å²	71.8	96.1 Å²	96.1	44%	0.435	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	132.3	-179.7	-176.6	0	0	0	0	110.3	G1707 V1708 I1709 H1814 G1915 V1916 I1917	G1707-V1812 PolarHBondContact O-N 2.82Å; G1707-V1812 VanDerWaalsContact O-N 3.14Å; V1708-V1812 WeakPolarHBondContact CA-O 3.48Å; V1708-V1812 HydrophobicContact CB-CG1 4.36Å; V1708-V1812 HydrophobicContact CB-CG2 4.41Å; V1708-V1812 HydrophobicContact CG1-CB 4.42Å; V1708-V1812 HydrophobicContact CG2-CB 4.42Å; V1708-V1812 WeakPolarHBondContact O-CA 3.29Å; I1709-V1812 PolarHBondContact N-O 3.28Å; I1709-V1812 VanDerWaalsContact N-O 3.14Å; V1812-H1814 VanDerWaalsContact CG1-CD2 3.45Å; V1812-H1814 WeakPolarHBondContact CG1-CD2 3.25Å; V1812-H1814 WeakPolarHBondContact CG1-NE2 3.23Å; V1812-G1915 PolarHBondContact N-O 3.35Å; V1812-V1916 HydrophobicContact CB-CG1 4.44Å; V1812-V1916 HydrophobicContact CB-CG2 4.38Å; V1812-V1916 WeakPolarHBondContact O-CA 3.28Å; V1812-I1917 PolarHBondContact O-N 3Å
1813	I	33.6	Very low	34	Very low	121 Å²	121	97.8 Å²	97.8	62%	0.621	56%	0.559	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-120.6	122.2	178.1	-57.2	176	0	0	0	109.4	V1708 I1709 H1710	V1708-I1813 PolarHBondContact O-N 2.98Å; I1709-I1813 WeakPolarHBondContact CA-O 3.46Å; H1710-I1813 PolarHBondContact N-O 3.17Å; H1710-I1813 VanDerWaalsContact N-O 3.16Å
1814	H	35.5	Very low	34	Very low	100.4 Å²	100.4	101.1 Å²	101.1	47%	0.465	57%	0.574	S	S	.	*			trans	-120.2	125.2	173.2	-67.1	-91.4	0	0	0	110.7	I1709 H1710 S1711 V1812 I1917 S1919	I1709-H1814 PolarHBondContact O-CE1 3.45Å; I1709-H1814 PolarHBondContact O-N 3.18Å; H1710-H1814 AromaticContact CD2-CE1 3.49Å; H1710-H1814 PolarHBondContact CD2-CE1 3.31Å; H1710-H1814 VanDerWaalsContact CD2-CE1 3.49Å; H1710-H1814 AromaticContact CD2-ND1 3.7Å; H1710-H1814 AromaticContact CE1-CD2 3.27Å; H1710-H1814 PolarHBondContact CE1-CD2 2.93Å; H1710-H1814 AromaticContact CE1-CG 3.8Å; H1710-H1814 AromaticContact CE1-NE2 3.99Å; H1710-H1814 AromaticContact CG-ND1 3.9Å; H1710-H1814 PolarHBondContact N-CE1 3.2Å; H1710-H1814 VanDerWaalsContact N-CE1 3.28Å; H1710-H1814 PolarHBondContact N-ND1 3Å; H1710-H1814 AromaticContact ND1-CD2 3.72Å; H1710-H1814 AromaticContact ND1-CG 3.83Å; H1710-H1814 AromaticContact NE2-CD2 3.99Å; H1710-H1814 PolarHBondContact O-CE1 3.03Å; H1710-H1814 PolarHBondContact O-ND1 3.04Å; S1711-H1814 PolarHBondContact N-O 3.27Å; V1812-H1814 VanDerWaalsContact CG1-CD2 3.45Å; V1812-H1814 WeakPolarHBondContact CG1-CD2 3.25Å; V1812-H1814 WeakPolarHBondContact CG1-NE2 3.23Å; H1814-I1917 PolarHBondContact N-O 2.95Å; H1814-S1919 PolarHBondContact O-N 3.22Å; H1814-S1919 PolarHBondContact O-OG 3.13Å
1815	S	34.2	Very low	33.9	Very low	71 Å²	71	100.9 Å²	100.9	50%	0.497	59%	0.586	S	S	.	*			trans	-132.6	131.9	164.9	146.3	0	0	0	0	110.2	H1710 S1919 V1920	H1710-S1815 PolarHBondContact O-N 3.34Å; S1815-S1919 WeakPolarHBondContact CB-O 3.38Å; S1815-S1919 PolarHBondContact OG-O 3.01Å; S1815-S1919 PolarHBondContact OG-OG 3.23Å; S1815-V1920 WeakPolarHBondContact OG-CG2 3.39Å
1816	V	35.2	Very low	33.7	Very low	103.6 Å²	103.6	100.4 Å²	100.4	63%	0.628	59%	0.589	S	S	*	*			trans	-137.5	117.9	174.8	-177.8	0	0	0	0	109	S1711 G1818	S1711-V1816 WeakPolarHBondContact O-CG2 3.38Å; V1816-G1818 PolarHBondContact O-N 3.2Å
1817	D	35	Very low	33.4	Very low	117 Å²	117	103 Å²	103	63%	0.626	61%	0.607	S	S	*	*			trans	-114.6	129.5	169.8	-75.4	-38.2	0	0	0	111.2	T1819	D1817-T1819 PolarHBondContact O-N 3.02Å
1818	G	29.6	Very low	33.2	Very low	63 Å²	63	106.3 Å²	106.3	65%	0.649	63%	0.625	S	S	*	*			trans	-141.6	107.8	-174.5	0	0	0	0	0	114.4	V1816 Q1820	V1816-G1818 PolarHBondContact O-N 3.2Å; G1818-Q1820 PolarHBondContact O-N 3.23Å
1819	T	30.8	Very low	32.9	Very low	125 Å²	125	106.5 Å²	106.5	77%	0.767	64%	0.642	S	S	*	*			trans	-103.7	135.7	178.3	10.2	0	0	0	0	112	D1817 T1821 T1923	D1817-T1819 PolarHBondContact O-N 3.02Å; T1819-T1821 PolarHBondContact O-N 2.72Å; T1819-T1821 VanDerWaalsContact O-N 3.11Å; T1819-T1923 WeakPolarHBondContact CB-O 3.19Å; T1819-T1923 PolarHBondContact OG1-O 3.38Å
1820	Q	30.2	Very low	32.9	Very low	137.2 Å²	137.2	109.8 Å²	109.8	64%	0.641	66%	0.659	S	S	*	*			trans	-103.2	126	167.7	-172.3	-176	63.2	0	0	111.7	T1715 Q1716 T1717 G1818 V1822	T1715-Q1820 PolarHBondContact O-NE2 2.73Å; T1715-Q1820 PolarHBondContact O-OE1 3.15Å; Q1716-Q1820 VanDerWaalsContact N-OE1 3.14Å; T1717-Q1820 PolarHBondContact O-NE2 3.3Å; T1717-Q1820 PolarHBondContact OG1-OE1 2.69Å; G1818-Q1820 PolarHBondContact O-N 3.23Å; Q1820-V1822 HydrophobicContact CG-CG2 4.2Å
1821	T	29.7	Very low	32.9	Very low	121.2 Å²	121.2	114.9 Å²	114.9	74%	0.744	67%	0.672	S	S	*	*			trans	-117.6	133.6	154.3	-49	0	0	0	0	109.5	T1819 D1823	T1819-T1821 PolarHBondContact O-N 2.72Å; T1819-T1821 VanDerWaalsContact O-N 3.11Å; T1821-D1823 HydrophobicContact CG2-CB 4.29Å
1822	V	36.2	Very low	32.9	Very low	99.6 Å²	99.6	121.3 Å²	121.3	60%	0.604	69%	0.689	S	S	*	*			trans	-122.7	118.5	159.7	-180	0	0	0	0	108.5	T1717 D1719 Q1820 L1824	T1717-V1822 HydrophobicContact CG2-CB 4.38Å; T1717-V1822 HydrophobicContact CG2-CG2 4.35Å; T1717-V1822 WeakPolarHBondContact O-CG2 3.23Å; D1719-V1822 HydrophobicContact CB-CB 3.83Å; D1719-V1822 HydrophobicContact CB-CG1 3.76Å; Q1820-V1822 HydrophobicContact CG-CG2 4.2Å; V1822-L1824 HydrophobicContact CG1-CD1 4.02Å; V1822-L1824 HydrophobicContact CG1-CD2 3.95Å; V1822-L1824 HydrophobicContact CG1-CG 4.04Å; V1822-L1824 PolarHBondContact O-N 2.96Å
1823	D	29.2	Very low	32.8	Very low	137 Å²	137	125.7 Å²	125.7	73%	0.733	71%	0.707	S	S	*	*			trans	-91.6	105.7	-177	-135.7	-22.8	0	0	0	111.7	T1821 T1825	T1821-D1823 HydrophobicContact CG2-CB 4.29Å; D1823-T1825 PolarHBondContact O-N 3.21Å; D1823-T1825 PolarHBondContact OD1-N 3.39Å; D1823-T1825 PolarHBondContact OD1-OG1 3.44Å
1824	L	31.8	Very low	32.6	Very low	144.2 Å²	144.2	125.3 Å²	125.3	76%	0.755	72%	0.715	S	S	*	*			trans	-102.7	93.2	172.5	-71.8	176.3	0	0	0	110.7	D1719 V1822 P1826	D1719-L1824 PolarHBondContact OD2-N 3.42Å; V1822-L1824 HydrophobicContact CG1-CD1 4.02Å; V1822-L1824 HydrophobicContact CG1-CD2 3.95Å; V1822-L1824 HydrophobicContact CG1-CG 4.04Å; V1822-L1824 PolarHBondContact O-N 2.96Å; L1824-P1826 VanDerWaalsContact C-CD 3.46Å; L1824-P1826 VanDerWaalsContact O-CD 3.25Å; L1824-P1826 WeakPolarHBondContact O-CD 3.37Å
1825	T	31.4	Very low	32.6	Very low	123.6 Å²	123.6	126.5 Å²	126.5	76%	0.758	73%	0.729	S	S	*	*			trans	-79.8	120.4	177.4	-46.4	0	0	0	0	112	D1823 P1827	D1823-T1825 PolarHBondContact O-N 3.21Å; D1823-T1825 PolarHBondContact OD1-N 3.39Å; D1823-T1825 PolarHBondContact OD1-OG1 3.44Å; T1825-P1827 VanDerWaalsContact O-CD 3.29Å; T1825-P1827 WeakPolarHBondContact O-CD 3.26Å
1826	P	35.2	Very low	32.4	Very low	102.2 Å²	102.2	129.2 Å²	129.2	66%	0.664	74%	0.742	S	S	*	*			trans	-89.1	140.2	-175.5	33.4	-34.5	0	0	0	113.6	L1824 I1828	L1824-P1826 VanDerWaalsContact C-CD 3.46Å; L1824-P1826 VanDerWaalsContact O-CD 3.25Å; L1824-P1826 WeakPolarHBondContact O-CD 3.37Å; P1826-I1828 PolarHBondContact O-N 3.13Å
1827	P	34.1	Very low	32.4	Very low	125.2 Å²	125.2	131.7 Å²	131.7	81%	0.813	75%	0.747	S	S	*	*			trans	-85	119.6	-177	33	-34.2	0	0	0	112.8	T1825 A1829	T1825-P1827 VanDerWaalsContact O-CD 3.29Å; T1825-P1827 WeakPolarHBondContact O-CD 3.26Å; P1827-A1829 PolarHBondContact O-N 3.09Å
1828	I	34.1	Very low	32.3	Very low	150 Å²	150	133.6 Å²	133.6	77%	0.769	75%	0.752	S	S	*	*			trans	-93	107.2	170.7	-58.7	174.4	0	0	0	110.4	P1826 M1830	P1826-I1828 PolarHBondContact O-N 3.13Å; I1828-M1830 HydrophobicContact CG2-CB 4.46Å; I1828-M1830 HydrophobicContact CG2-CE 4.05Å; I1828-M1830 HydrophobicContact CG2-CG 4.24Å; I1828-M1830 PolarHBondContact O-N 2.97Å; I1828-M1830 VanDerWaalsContact O-N 3.17Å
1829	A	30.4	Very low	32.5	Very low	100.6 Å²	100.6	138.5 Å²	138.5	83%	0.831	76%	0.756	S	S	*	*			trans	-93.4	101.2	168.9	0	0	0	0	0	110.6	P1827 K1831	P1827-A1829 PolarHBondContact O-N 3.09Å; A1829-K1831 PolarHBondContact O-N 3.08Å; A1829-K1831 VanDerWaalsContact O-N 3.08Å
1830	M	35	Very low	32.6	Very low	171.2 Å²	171.2	140.3 Å²	140.3	84%	0.843	76%	0.755	S	S	*	*			trans	-89.6	123.4	170.5	-78.6	-173.3	-25.5	0	0	111.1	I1828 E1832	I1828-M1830 HydrophobicContact CG2-CB 4.46Å; I1828-M1830 HydrophobicContact CG2-CE 4.05Å; I1828-M1830 HydrophobicContact CG2-CG 4.24Å; I1828-M1830 PolarHBondContact O-N 2.97Å; I1828-M1830 VanDerWaalsContact O-N 3.17Å; M1830-E1832 PolarHBondContact O-N 2.89Å; M1830-E1832 VanDerWaalsContact O-N 3.11Å
1831	K	32.3	Very low	32.8	Very low	182.8 Å²	182.8	138.7 Å²	138.7	80%	0.795	76%	0.757	S	S	*	*			trans	-107.6	100.2	166.1	-176.1	-178.2	176.8	-178.8	0	112.5	A1829	A1829-K1831 PolarHBondContact O-N 3.08Å; A1829-K1831 VanDerWaalsContact O-N 3.08Å
1832	E	31.3	Very low	33	Very low	179.6 Å²	179.6	139.2 Å²	139.2	84%	0.839	76%	0.76	S	S	*	*			trans	-105.4	145.6	152.3	-104.5	173.9	-178.1	0	0	111.7	M1830	M1830-E1832 PolarHBondContact O-N 2.89Å; M1830-E1832 VanDerWaalsContact O-N 3.11Å
1833	M	32.8	Very low	32.8	Very low	164.2 Å²	164.2	141.1 Å²	141.1	81%	0.809	77%	0.765	S	S	*	*				-159.4	124.5	-96.4	-159.6	100.9	147.6	0	0	109.7
1834	S	31.3	Very low	33.2	Very low	112.8 Å²	112.8	142.5 Å²	142.5	79%	0.789	77%	0.772	S	S	*	*			trans	113.9	145.4	158.6	-163.5	0	0	0	0	115.8
1835	V	33.9	Very low	33.2	Very low	126.4 Å²	126.4	145.1 Å²	145.1	77%	0.766	78%	0.777	S	S	*	*			trans	-166.9	124.5	171.5	158.4	0	0	0	0	113
1836	V	31.7	Very low	33.3	Very low	126.6 Å²	126.6	142.8 Å²	142.8	77%	0.767	78%	0.778	S	S	*	*			trans	64.6	136.2	154.4	174.6	0	0	0	0	116.1	E1838	V1836-E1838 HydrophobicContact CG1-CG 4.03Å
1837	H	34.2	Very low	33.2	Very low	156.4 Å²	156.4	148 Å²	148	72%	0.724	79%	0.79	S	S	*	*			trans	-139.1	141.8	154.5	-115.3	-109.5	0	0	0	114.7
1838	E	33.6	Very low	33.1	Very low	156 Å²	156	151.1 Å²	151.1	73%	0.729	79%	0.791	S	S	*	*			trans	45.8	149.4	151	-73	-171.7	142.1	0	0	115.6	V1836	V1836-E1838 HydrophobicContact CG1-CG 4.03Å
1839	K	33	Very low	33	Very low	167.6 Å²	167.6	152 Å²	152	73%	0.729	80%	0.796	S	S	*	*			cis	-178.2	124.5	26.1	-159.1	172.5	179.3	-166.5	0	113.6
1840	E	32.3	Very low	33	Very low	162.6 Å²	162.6	155.4 Å²	155.4	76%	0.76	80%	0.795	S	S	*	*			trans	-129.3	151.2	146.4	-136	-178.5	143.8	0	0	115.9	T1842	E1840-T1842 WeakPolarHBondContact OE1-CG2 3.45Å; E1840-T1842 PolarHBondContact OE1-OG1 3.23Å
1841	P	34.6	Very low	32.8	Very low	102.8 Å²	102.8	153.7 Å²	153.7	67%	0.668	79%	0.794	S	S	*	*			trans	-113.7	165.6	-168.8	40.9	-32.3	0	0	0	114.8	I1843	P1841-I1843 PolarHBondContact O-N 3.05Å
1842	T	34.8	Very low	32.5	Very low	131.8 Å²	131.8	154.1 Å²	154.1	81%	0.809	79%	0.79	S	S	*	*			trans	-135.3	117.2	169.9	-47.9	0	0	0	0	112.3	E1840 L1844	E1840-T1842 WeakPolarHBondContact OE1-CG2 3.45Å; E1840-T1842 PolarHBondContact OE1-OG1 3.23Å; T1842-L1844 PolarHBondContact O-N 3.35Å
1843	I	31.7	Very low	32.5	Very low	139.6 Å²	139.6	151.2 Å²	151.2	72%	0.716	79%	0.789	S	S	*	*			trans	-56.2	130.5	161.4	-50.7	163.2	0	0	0	113	P1841 K1845	P1841-I1843 PolarHBondContact O-N 3.05Å; I1843-K1845 HydrophobicContact CG2-CG 4.32Å
1844	L	36.8	Very low	32.2	Very low	166.4 Å²	166.4	148.5 Å²	148.5	87%	0.871	78%	0.777	S	S	*	*			trans	-162.6	135.3	139.2	-95.6	170.3	0	0	0	113.2	T1842	T1842-L1844 PolarHBondContact O-N 3.35Å
1845	K	31.7	Very low	32.2	Very low	198.2 Å²	198.2	148.4 Å²	148.4	86%	0.862	78%	0.776	S	S	*	*			trans	-84	138.7	173.2	-67.3	176.6	176.6	174.6	0	113.5	I1843	I1843-K1845 HydrophobicContact CG2-CG 4.32Å
1846	G	34.6	Very low	32	Very low	75.8 Å²	75.8	147.9 Å²	147.9	78%	0.781	77%	0.774	S	S	*	*			trans	171.8	111.7	149.4	0	0	0	0	0	116.5
1847	K	34	Very low	32	Very low	211 Å²	211	148.4 Å²	148.4	92%	0.917	77%	0.773	S	S	*	*			trans	-132.4	150.3	147.8	-80.7	171.5	-178.8	177.3	0	113.4
1848	K	30.9	Very low	31.9	Very low	191.2 Å²	191.2	148.4 Å²	148.4	83%	0.831	78%	0.777	S	S	*	*			trans	-67.4	147.8	158.3	-86.9	-176.9	174.6	-171.5	0	112.9
1849	L	32.3	Very low	31.6	Very low	168 Å²	168	144 Å²	144	88%	0.88	77%	0.774	S	S	*	*			trans	-116.6	136.6	153.7	-78.5	171.9	0	0	0	110.7	V1851	L1849-V1851 HydrophobicContact CB-CG2 4.45Å
1850	Q	29.8	Very low	31.6	Very low	172.4 Å²	172.4	143.4 Å²	143.4	81%	0.806	78%	0.777	S	S	*	*			trans	-144.6	111.3	166.2	-177	179.2	24.9	0	0	110.8
1851	V	32.2	Very low	31.3	Very low	134.8 Å²	134.8	142.8 Å²	142.8	82%	0.817	77%	0.774	S	S	*	*			trans	-122.9	129.4	168.8	-178.9	0	0	0	0	108.5	L1849	L1849-V1851 HydrophobicContact CB-CG2 4.45Å
1852	R	24.8	Very low	31.1	Very low	191.4 Å²	191.4	143.6 Å²	143.6	72%	0.722	78%	0.777	S	S	*	*			trans	-129.7	130.7	172.4	169.2	-173.9	176	144.9	9.4	107.5	D1854	R1852-D1854 WeakPolarHBondContact CG-OD2 3.38Å; R1852-D1854 IonicContact CZ-OD1 3.11Å; R1852-D1854 IonicContact CZ-OD2 3.2Å; R1852-D1854 IonicContact NE-OD1 2.93Å; R1852-D1854 PolarHBondContact NE-OD1 3.13Å; R1852-D1854 IonicContact NE-OD2 3.4Å; R1852-D1854 PolarHBondContact NE-OD2 2.92Å; R1852-D1854 IonicContact NH2-OD1 3.37Å; R1852-D1854 PolarHBondContact NH2-OD1 2.89Å; R1852-D1854 IonicContact NH2-OD2 3.07Å; R1852-D1854 PolarHBondContact NH2-OD2 3.16Å
1853	C	30.8	Very low	31	Very low	120.2 Å²	120.2	142.7 Å²	142.7	81%	0.812	77%	0.767	S	S	*	*			trans	-151.9	132.4	157.9	-78.8	0	0	0	0	107.7
1854	D	28.3	Very low	30.8	Very low	105.8 Å²	105.8	143.3 Å²	143.3	57%	0.566	77%	0.767	S	S	*	*			trans	-122.1	132.5	-176.5	-61.3	-61.6	0	0	0	110.5	R1852	R1852-D1854 WeakPolarHBondContact CG-OD2 3.38Å; R1852-D1854 IonicContact CZ-OD1 3.11Å; R1852-D1854 IonicContact CZ-OD2 3.2Å; R1852-D1854 IonicContact NE-OD1 2.93Å; R1852-D1854 PolarHBondContact NE-OD1 3.13Å; R1852-D1854 IonicContact NE-OD2 3.4Å; R1852-D1854 PolarHBondContact NE-OD2 2.92Å; R1852-D1854 IonicContact NH2-OD1 3.37Å; R1852-D1854 PolarHBondContact NH2-OD1 2.89Å; R1852-D1854 IonicContact NH2-OD2 3.07Å; R1852-D1854 PolarHBondContact NH2-OD2 3.16Å
1855	S	31	Very low	30.5	Very low	110.6 Å²	110.6	142.9 Å²	142.9	77%	0.773	76%	0.764	S	S	*	*			trans	128.8	139.8	160.2	-112.3	0	0	0	0	116.3
1856	T	29.5	Very low	30.4	Very low	116.6 Å²	116.6	139.2 Å²	139.2	72%	0.715	76%	0.758	S	S	*	*				104.5	152.2	85.2	-11.8	0	0	0	0	114.3
1857	D	30.7	Very low	30.3	Very low	137.6 Å²	137.6	140.5 Å²	140.5	74%	0.736	75%	0.753	S	S	*	*			trans	164.6	156.6	134	-89.1	-42.3	0	0	0	116.7
1858	L	32.1	Very low	30.1	Very low	156.2 Å²	156.2	137.6 Å²	137.6	82%	0.818	75%	0.746	S	S	*	*			trans	104	138.4	162.1	-98.9	78	0	0	0	114.7
1859	G	28.8	Very low	30.1	Very low	64 Å²	64	134.2 Å²	134.2	66%	0.66	74%	0.741	S	S	*	*			cis	125.1	131.5	5.3	0	0	0	0	0	114.6
1860	I	31.6	Very low	29.8	Very low	155.2 Å²	155.2	133.5 Å²	133.5	80%	0.796	73%	0.733	S	S	*	*				-153.8	134.2	115.7	-78.7	162.7	0	0	0	110.1	I2757	I1860-I2757 HydrophobicContact CD1-CD1 4.19Å; I1860-I2757 HydrophobicContact CD1-CG2 4.43Å; I1860-I2757 HydrophobicContact CG1-CB 4.47Å; I1860-I2757 HydrophobicContact CG1-CG2 3.71Å
1861	Q	26.7	Very low	29.8	Very low	150.2 Å²	150.2	130.6 Å²	130.6	70%	0.702	73%	0.729	S	S	*	*			trans	-32	136.9	165.7	-134.5	170.8	-22.3	0	0	117.2	S2759 M2760 Q2761	Q1861-S2759 PolarHBondContact N-O 3.44Å; Q1861-S2759 PolarHBondContact OE1-OG 3.36Å; Q1861-M2760 HydrophobicContact CB-CB 3.77Å; Q1861-M2760 VanDerWaalsContact CD-CB 3.42Å; Q1861-M2760 HydrophobicContact CG-CB 3.56Å; Q1861-M2760 HydrophobicContact CG-CG 4.24Å; Q1861-Q2761 VanDerWaalsContact NE2-OE1 3.08Å
1862	T	30.7	Very low	29.6	Very low	118 Å²	118	129.3 Å²	129.3	72%	0.724	72%	0.722	S	S	*	*				148.7	135.9	116.1	-52.9	0	0	0	0	116.3
1863	D	31.9	Very low	29.7	Very low	114.4 Å²	114.4	127.2 Å²	127.2	61%	0.612	72%	0.723	S	S	*	*			trans	53.1	149.3	141.8	-76.3	-39.5	0	0	0	120.3	K1952 Q1954	D1863-K1952 PolarHBondContact O-NZ 2.83Å; D1863-Q1954 PolarHBondContact OD2-NE2 3.37Å
1864	Q	27	Very low	29.5	Very low	152 Å²	152	125.8 Å²	125.8	71%	0.71	72%	0.715	S	S	*	*			trans	-79	149.2	169.8	-70.4	171.9	46.8	0	0	116	K1952	Q1864-K1952 WeakPolarHBondContact O-CE 3.35Å; Q1864-K1952 PolarHBondContact O-NZ 3.17Å
1865	I	31.6	Very low	29.5	Very low	157.6 Å²	157.6	125.3 Å²	125.3	81%	0.808	72%	0.72	S	S	*	*				-166.2	124.6	123.7	-78.5	163.4	0	0	0	111.1	P1867	I1865-P1867 WeakPolarHBondContact O-CD 3.17Å
1866	T	29.5	Very low	29.3	Very low	120.4 Å²	120.4	124.4 Å²	124.4	74%	0.739	71%	0.71	S	S	*	*			trans	-108.3	151.4	148.5	-7.4	0	0	0	0	110.9
1867	P	32.9	Very low	29.2	Very low	102.4 Å²	102.4	126.1 Å²	126.1	67%	0.665	71%	0.712	S	S	*	*				-133.1	168.1	106.2	37.3	-20.2	0	0	0	113.9	I1865 V1869	I1865-P1867 WeakPolarHBondContact O-CD 3.17Å; P1867-V1869 HydrophobicContact CG-CG2 4.37Å; P1867-V1869 PolarHBondContact O-N 2.93Å
1868	I	28.4	Very low	29.1	Very low	149.6 Å²	149.6	127.5 Å²	127.5	77%	0.767	71%	0.713	S	S	*	*			trans	-65.3	124.4	134.9	-66.6	165.8	0	0	0	112.8
1869	V	30.9	Very low	28.9	Very low	121.8 Å²	121.8	125.4 Å²	125.4	74%	0.738	71%	0.707	S	S	*	*			trans	-156.1	125.1	160.9	173.4	0	0	0	0	112.1	P1867 P1871 E2674	P1867-V1869 HydrophobicContact CG-CG2 4.37Å; P1867-V1869 PolarHBondContact O-N 2.93Å; V1869-P1871 VanDerWaalsContact O-CD 3.32Å; V1869-P1871 WeakPolarHBondContact O-CD 3.47Å; V1869-E2674 HydrophobicContact CG2-CG 4.26Å
1870	Q	27.5	Very low	28.9	Very low	152.4 Å²	152.4	128.8 Å²	128.8	71%	0.712	71%	0.709	S	S	*	*			trans	-72.2	151.3	166	-112.8	179	-38.3	0	0	114.3	T1872 E2674 A2675 K2676	Q1870-T1872 VanDerWaalsContact C-N 3.34Å; Q1870-T1872 WeakPolarHBondContact CB-OG1 3.45Å; Q1870-T1872 PolarHBondContact NE2-OG1 3.27Å; Q1870-T1872 PolarHBondContact O-N 2.84Å; Q1870-T1872 PolarHBondContact OE1-OG1 3.11Å; Q1870-E2674 PolarHBondContact N-O 3.35Å; Q1870-E2674 VanDerWaalsContact N-O 3.14Å; Q1870-A2675 HydrophobicContact CB-CB 3.85Å; Q1870-A2675 CarbonylContact O-C 3.6Å; Q1870-A2675 VanDerWaalsContact O-C 3.25Å; Q1870-A2675 WeakPolarHBondContact O-CA 3.38Å; Q1870-K2676 CarbonylContact O-C 3.57Å; Q1870-K2676 WeakPolarHBondContact O-CA 3.28Å; Q1870-K2676 PolarHBondContact O-N 3.11Å
1871	P	28.7	Very low	28.7	Very low	110.6 Å²	110.6	126.4 Å²	126.4	72%	0.718	70%	0.704	S	S	*	*			trans	-96.6	127.3	150.7	33.6	-32.1	0	0	0	112.2	V1869 I1873	V1869-P1871 VanDerWaalsContact O-CD 3.32Å; V1869-P1871 WeakPolarHBondContact O-CD 3.47Å; P1871-I1873 PolarHBondContact O-N 2.95Å
1872	T	28.3	Very low	28.8	Very low	108 Å²	108	125.4 Å²	125.4	66%	0.663	70%	0.704	S	S	*	*			trans	-104	108.8	171.5	-55.9	0	0	0	0	111.8	Q1870 S1874 A2675	Q1870-T1872 VanDerWaalsContact C-N 3.34Å; Q1870-T1872 WeakPolarHBondContact CB-OG1 3.45Å; Q1870-T1872 PolarHBondContact NE2-OG1 3.27Å; Q1870-T1872 PolarHBondContact O-N 2.84Å; Q1870-T1872 PolarHBondContact OE1-OG1 3.11Å; T1872-S1874 VanDerWaalsContact C-N 3.28Å; T1872-S1874 PolarHBondContact O-N 3.1Å; T1872-S1874 VanDerWaalsContact O-N 3.11Å; T1872-A2675 VanDerWaalsContact CB-CB 3.42Å; T1872-A2675 HydrophobicContact CG2-CB 4.45Å; T1872-A2675 WeakPolarHBondContact OG1-CB 3.37Å
1873	I	27.8	Very low	28.6	Very low	147.6 Å²	147.6	125.9 Å²	125.9	76%	0.757	71%	0.707	S	S	*	*			trans	-87.4	103.8	167.6	-60.9	178.5	0	0	0	108	P1871 S1875	P1871-I1873 PolarHBondContact O-N 2.95Å; I1873-S1875 VanDerWaalsContact C-N 3.28Å; I1873-S1875 PolarHBondContact O-N 3.32Å
1874	S	26.5	Very low	28.4	Very low	90 Å²	90	125.2 Å²	125.2	63%	0.629	71%	0.711	S	S	*	*			trans	-102.4	106.5	170.1	-158.6	0	0	0	0	110.1	T1872 T1876	T1872-S1874 VanDerWaalsContact C-N 3.28Å; T1872-S1874 PolarHBondContact O-N 3.1Å; T1872-S1874 VanDerWaalsContact O-N 3.11Å; S1874-T1876 PolarHBondContact O-N 3.28Å; S1874-T1876 PolarHBondContact O-OG1 3.04Å; S1874-T1876 VanDerWaalsContact O-OG1 3.12Å; S1874-T1876 PolarHBondContact OG-OG1 2.9Å
1875	S	26.6	Very low	28.3	Very low	96 Å²	96	126.7 Å²	126.7	67%	0.671	72%	0.718	S	S	*	*			trans	-83.2	90.6	166.1	-99.5	0	0	0	0	109.2	I1873 M1877 H1918	I1873-S1875 VanDerWaalsContact C-N 3.28Å; I1873-S1875 PolarHBondContact O-N 3.32Å; S1875-M1877 VanDerWaalsContact C-N 3.33Å; S1875-M1877 PolarHBondContact O-N 3.14Å; S1875-H1918 PolarHBondContact OG-CE1 3.33Å; S1875-H1918 PolarHBondContact OG-NE2 3.32Å
1876	T	28.7	Very low	28.2	Very low	92.8 Å²	92.8	124.8 Å²	124.8	57%	0.569	72%	0.718	S	S	*	*			trans	-86.6	113.9	-178	-57.9	0	0	0	0	109.6	S1874 H1878	S1874-T1876 PolarHBondContact O-N 3.28Å; S1874-T1876 PolarHBondContact O-OG1 3.04Å; S1874-T1876 VanDerWaalsContact O-OG1 3.12Å; S1874-T1876 PolarHBondContact OG-OG1 2.9Å; T1876-H1878 VanDerWaalsContact C-N 3.33Å; T1876-H1878 PolarHBondContact O-N 3.24Å
1877	M	26	Very low	28	Very low	152 Å²	152	124.8 Å²	124.8	75%	0.749	72%	0.718	S	S	*	*			trans	-60.1	102.5	167.1	-75.3	-120.3	-66.4	0	0	109	S1875 T1879 I1912 S1914 Y2624	S1875-M1877 VanDerWaalsContact C-N 3.33Å; S1875-M1877 PolarHBondContact O-N 3.14Å; M1877-T1879 VanDerWaalsContact C-N 3.28Å; M1877-T1879 PolarHBondContact O-N 3.1Å; M1877-T1879 PolarHBondContact O-OG1 3.15Å; M1877-I1912 HydrophobicContact CE-CG2 4.28Å; M1877-I1912 HydrophobicContact SD-CG2 4.23Å; M1877-S1914 VanDerWaalsContact SD-CB 3.52Å; M1877-Y2624 HydrophobicContact SD-CE1 4.29Å
1878	H	29.5	Very low	27.7	Very low	166.6 Å²	166.6	128.2 Å²	128.2	77%	0.771	73%	0.725	S	S	*	*			trans	-74.3	84.5	172.2	-102.9	-75.4	0	0	0	109.7	T1876 L1880	T1876-H1878 VanDerWaalsContact C-N 3.33Å; T1876-H1878 PolarHBondContact O-N 3.24Å; H1878-L1880 VanDerWaalsContact C-N 3.33Å; H1878-L1880 PolarHBondContact O-N 2.86Å; H1878-L1880 VanDerWaalsContact O-N 3.09Å
1879	T	28.2	Very low	27.7	Very low	112.2 Å²	112.2	126.3 Å²	126.3	69%	0.688	72%	0.721	S	S	*	*			trans	-54.6	108	158.5	22.7	0	0	0	0	108.1	M1877 P1881	M1877-T1879 VanDerWaalsContact C-N 3.28Å; M1877-T1879 PolarHBondContact O-N 3.1Å; M1877-T1879 PolarHBondContact O-OG1 3.15Å; T1879-P1881 VanDerWaalsContact O-CD 3.29Å; T1879-P1881 WeakPolarHBondContact O-CD 3.33Å; T1879-P1881 VanDerWaalsContact O-N 3.12Å
1880	L	28.6	Very low	27.5	Very low	134.6 Å²	134.6	126.8 Å²	126.8	71%	0.705	72%	0.718	S	S	*	*			trans	-76.1	112.3	177.8	-158.9	76.8	0	0	0	108.1	H1878 N1882	H1878-L1880 VanDerWaalsContact C-N 3.33Å; H1878-L1880 PolarHBondContact O-N 2.86Å; H1878-L1880 VanDerWaalsContact O-N 3.09Å; L1880-N1882 PolarHBondContact O-N 2.89Å
1881	P	27.3	Very low	27.6	Very low	105.2 Å²	105.2	125 Å²	125	68%	0.683	72%	0.719	S	S	*	*			trans	-77.8	79.6	-177.2	32.6	-33.9	0	0	0	109.6	T1879 T1883	T1879-P1881 VanDerWaalsContact O-CD 3.29Å; T1879-P1881 WeakPolarHBondContact O-CD 3.33Å; T1879-P1881 VanDerWaalsContact O-N 3.12Å; P1881-T1883 PolarHBondContact O-N 3.06Å; P1881-T1883 VanDerWaalsContact O-N 3.07Å; P1881-T1883 PolarHBondContact O-OG1 2.87Å
1882	N	27.7	Very low	27.7	Very low	130 Å²	130	125 Å²	125	70%	0.695	72%	0.718	S	S	*	*			trans	-79.2	73.4	-177.5	-125.8	14.3	0	0	0	111	L1880 S1884	L1880-N1882 PolarHBondContact O-N 2.89Å; N1882-S1884 VanDerWaalsContact C-N 3.33Å; N1882-S1884 PolarHBondContact O-N 3.07Å; N1882-S1884 PolarHBondContact OD1-OG 2.98Å
1883	T	26.7	Very low	27.7	Very low	128.6 Å²	128.6	128.1 Å²	128.1	79%	0.789	72%	0.722	S	S	*	*			trans	-71.8	84.1	170.1	48.1	0	0	0	0	110.2	P1881 Q1885	P1881-T1883 PolarHBondContact O-N 3.06Å; P1881-T1883 VanDerWaalsContact O-N 3.07Å; P1881-T1883 PolarHBondContact O-OG1 2.87Å; T1883-Q1885 PolarHBondContact O-N 3.16Å; T1883-Q1885 VanDerWaalsContact O-N 3.16Å
1884	S	27.5	Very low	27.8	Very low	99.4 Å²	99.4	128.7 Å²	128.7	70%	0.695	73%	0.726	S	S	*	*			trans	-89.2	79.8	173.6	-15.3	0	0	0	0	110.9	N1882 S1886	N1882-S1884 VanDerWaalsContact C-N 3.33Å; N1882-S1884 PolarHBondContact O-N 3.07Å; N1882-S1884 PolarHBondContact OD1-OG 2.98Å; S1884-S1886 PolarHBondContact O-N 3.12Å
1885	Q	25.7	Very low	27.9	Very low	183.8 Å²	183.8	128 Å²	128	86%	0.859	73%	0.726	S	S	*	*			trans	-70.3	96.1	167.5	-75.9	-171.5	-16.7	0	0	109.9	T1883 T1887	T1883-Q1885 PolarHBondContact O-N 3.16Å; T1883-Q1885 VanDerWaalsContact O-N 3.16Å; Q1885-T1887 PolarHBondContact O-N 3.05Å
1886	S	28.6	Very low	27.8	Very low	117.8 Å²	117.8	129.9 Å²	129.9	82%	0.824	73%	0.728	S	S	*	*			trans	-107.9	79.9	166.5	-168.5	0	0	0	0	109.4	S1884 Q1888	S1884-S1886 PolarHBondContact O-N 3.12Å; S1886-Q1888 PolarHBondContact O-N 3.2Å
1887	T	25.2	Very low	27.8	Very low	120.2 Å²	120.2	131.8 Å²	131.8	74%	0.737	74%	0.739	S	S	*	*			trans	-81.5	113.9	176.9	-57.6	0	0	0	0	109.6	Q1885 T1889	Q1885-T1887 PolarHBondContact O-N 3.05Å; T1887-T1889 PolarHBondContact O-N 3.5Å
1888	Q	26.9	Very low	27.7	Very low	172.2 Å²	172.2	134 Å²	134	81%	0.805	75%	0.745	S	S	*	*			trans	-108.5	118.9	159	-147.7	164	75.5	0	0	114.4	S1886 I1890	S1886-Q1888 PolarHBondContact O-N 3.2Å; Q1888-I1890 HydrophobicContact CB-CD1 3.8Å; Q1888-I1890 HydrophobicContact CB-CG1 3.95Å
1889	T	27.9	Very low	27.5	Very low	110 Å²	110	130.9 Å²	130.9	68%	0.675	74%	0.742	S	S	*	*			trans	-138.5	115.7	143	-39.7	0	0	0	0	114.7	T1887 P1891	T1887-T1889 PolarHBondContact O-N 3.5Å; T1889-P1891 HydrophobicContact CG2-CG 4.44Å
1890	I	27.4	Very low	27.3	Very low	133.8 Å²	133.8	133.8 Å²	133.8	69%	0.686	75%	0.747	S	S	*	*			trans	-66.4	121.1	141.1	-62.2	168.4	0	0	0	111.4	Q1888 T1892	Q1888-I1890 HydrophobicContact CB-CD1 3.8Å; Q1888-I1890 HydrophobicContact CB-CG1 3.95Å; I1890-T1892 WeakPolarHBondContact CG2-OG1 3.48Å
1891	P	30.2	Very low	27.2	Very low	112.6 Å²	112.6	132.3 Å²	132.3	73%	0.731	74%	0.744	S	S	*	*			trans	-107.5	132.7	178.2	33.4	-22.2	0	0	0	110.9	T1889 K1893	T1889-P1891 HydrophobicContact CG2-CG 4.44Å; P1891-K1893 PolarHBondContact O-N 3.11Å
1892	T	29.9	Very low	27.1	Very low	112.4 Å²	112.4	132.3 Å²	132.3	69%	0.69	74%	0.742	S	S	*	*			trans	-87.6	119.2	174.7	-34.4	0	0	0	0	112.4	I1890 L1894	I1890-T1892 WeakPolarHBondContact CG2-OG1 3.48Å; T1892-L1894 PolarHBondContact O-N 3.29Å
1893	K	29.3	Very low	27	Very low	172.8 Å²	172.8	133.2 Å²	133.2	75%	0.751	75%	0.746	S	S	*	*			trans	-114.2	136.2	169.8	-77.7	-164.2	-168.9	-175.3	0	111.7	P1891	P1891-K1893 PolarHBondContact O-N 3.11Å
1894	L	29.1	Very low	27.1	Very low	160.2 Å²	160.2	131.3 Å²	131.3	84%	0.839	74%	0.738	S	S	*	*				-126.4	132.3	127.9	-80.9	149.6	0	0	0	111.2	T1892	T1892-L1894 PolarHBondContact O-N 3.29Å
1895	A	28	Very low	27.1	Very low	75.8 Å²	75.8	131.1 Å²	131.1	63%	0.626	74%	0.736	S	S	*	*				158	140.2	108.1	0	0	0	0	0	112.5
1896	D	26.3	Very low	27.3	Very low	135.4 Å²	135.4	128.4 Å²	128.4	72%	0.724	73%	0.727	S	S	*	*			trans	-55.2	136.4	136.1	-63.7	-46.3	0	0	0	116	Q2112	D1896-Q2112 PolarHBondContact OD1-NE2 2.98Å; D1896-Q2112 PolarHBondContact OD2-NE2 3.1Å
1897	T	27.8	Very low	27.3	Very low	131.2 Å²	131.2	126.9 Å²	126.9	81%	0.805	71%	0.713	S	S	*	*			trans	158.2	116.7	150.3	-45.5	0	0	0	0	113.2	C1899	T1897-C1899 PolarHBondContact O-N 3.24Å
1898	F	24.2	Very low	27.5	Very low	198.8 Å²	198.8	128.9 Å²	128.9	87%	0.872	71%	0.708	S	S	*	*			trans	-38.8	120.2	166.5	-83.2	-107.2	0	0	0	115.7
1899	C	25.1	Very low	27.8	Very low	102.8 Å²	102.8	127.1 Å²	127.1	70%	0.695	70%	0.704	S	S	*	*			trans	-144.5	119.9	144.2	-74.9	0	0	0	0	111.8	T1897 T1901	T1897-C1899 PolarHBondContact O-N 3.24Å; C1899-T1901 PolarHBondContact O-N 2.89Å
1900	Q	23.9	Very low	28.2	Very low	172.2 Å²	172.2	126.4 Å²	126.4	81%	0.805	70%	0.699	S	S	*	*			trans	-98.4	112.6	159.5	-91.1	177.9	34.4	0	0	109.8	C1795 Q1796 T1797 T1902	C1795-Q1900 PolarHBondContact O-N 3.11Å; C1795-Q1900 VanDerWaalsContact O-N 3.07Å; Q1796-Q1900 WeakPolarHBondContact CA-O 3.22Å; T1797-Q1900 PolarHBondContact N-O 2.91Å; Q1900-T1902 PolarHBondContact O-N 3.31Å
1901	T	25.9	Very low	28.4	Very low	103.6 Å²	103.6	126.2 Å²	126.2	64%	0.636	70%	0.695	S	S	*	*			trans	-110.3	109.7	173.7	-45.5	0	0	0	0	110	L1799 C1899 L1903	L1799-T1901 HydrophobicContact CD1-CG2 3.72Å; L1799-T1901 HydrophobicContact CG-CG2 4.46Å; C1899-T1901 PolarHBondContact O-N 2.89Å; T1901-L1903 PolarHBondContact O-N 2.9Å
1902	T	25.1	Very low	28.5	Very low	105.6 Å²	105.6	126.6 Å²	126.6	65%	0.648	69%	0.69	S	S	*	*			trans	-75	121.8	167.5	-17.9	0	0	0	0	109.3	T1797 L1799 Q1900 S1904	T1797-T1902 PolarHBondContact O-N 3.28Å; L1799-T1902 PolarHBondContact N-O 3.35Å; Q1900-T1902 PolarHBondContact O-N 3.31Å; T1902-S1904 PolarHBondContact O-N 3.31Å
1903	L	27.1	Very low	28.5	Very low	148.2 Å²	148.2	127.7 Å²	127.7	78%	0.776	69%	0.687	S	S	*	*			trans	-98.3	115.8	168.9	-75.8	168.9	0	0	0	108.9	L1799 T1901	L1799-L1903 HydrophobicContact CD1-CD2 3.59Å; L1799-L1903 HydrophobicContact CD1-CG 4.31Å; T1901-L1903 PolarHBondContact O-N 2.9Å
1904	S	27.6	Very low	28.4	Very low	89.4 Å²	89.4	123.8 Å²	123.8	63%	0.625	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-82.1	136.1	174	-56.3	0	0	0	0	110.1	L1799 T1902 I1906	L1799-S1904 WeakPolarHBondContact O-CB 3.47Å; L1799-S1904 PolarHBondContact O-OG 3.3Å; T1902-S1904 PolarHBondContact O-N 3.31Å; S1904-I1906 PolarHBondContact O-N 3.15Å
1905	S	27.3	Very low	28.4	Very low	93.6 Å²	93.6	118.8 Å²	118.8	66%	0.655	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-82.2	122.7	176.6	-20.1	0	0	0	0	111.5	S1801 T1907	S1801-S1905 WeakPolarHBondContact CB-O 3.3Å; S1905-T1907 PolarHBondContact O-N 3.3Å
1906	I	29.4	Very low	28.5	Very low	127.4 Å²	127.4	119.3 Å²	119.3	65%	0.653	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-82	119.7	160.1	6	172.2	0	0	0	107.6	Y1804 S1904 Y1908	Y1804-I1906 HydrophobicContact CD2-CG2 4.24Å; Y1804-I1906 HydrophobicContact CE2-CG2 4.12Å; S1904-I1906 PolarHBondContact O-N 3.15Å; I1906-Y1908 HydrophobicContact CB-CE2 4.26Å; I1906-Y1908 HydrophobicContact CD1-CE2 4.5Å; I1906-Y1908 HydrophobicContact CG1-CE2 4.32Å; I1906-Y1908 HydrophobicContact CG2-CD2 4.25Å; I1906-Y1908 HydrophobicContact CG2-CE1 4.15Å; I1906-Y1908 HydrophobicContact CG2-CE2 3.67Å
1907	T	30	Very low	28.7	Very low	87.2 Å²	87.2	119.5 Å²	119.5	54%	0.535	66%	0.664	S	S	.	*			trans	-113.9	133.1	177.4	45.5	0	0	0	0	109.7	I1802 Y1804 S1905	I1802-T1907 PolarHBondContact O-N 2.87Å; Y1804-T1907 PolarHBondContact N-O 3Å; Y1804-T1907 VanDerWaalsContact N-O 3.14Å; S1905-T1907 PolarHBondContact O-N 3.3Å
1908	Y	28.9	Very low	28.9	Very low	162.2 Å²	162.2	119.4 Å²	119.4	64%	0.636	65%	0.654	S	S	*	*			trans	-108.8	110.4	176.4	-59.2	-86.9	0	0	0	108.7	T1679 Y1804 I1906 V1910	T1679-Y1908 HydrophobicContact CG2-CE2 4.48Å; T1679-Y1908 WeakPolarHBondContact CG2-OH 3.41Å; Y1804-Y1908 AromaticContact CD2-CD1 3.66Å; Y1804-Y1908 HydrophobicContact CD2-CD1 3.66Å; Y1804-Y1908 AromaticContact CD2-CE1 3.55Å; Y1804-Y1908 HydrophobicContact CD2-CE1 3.55Å; Y1804-Y1908 HydrophobicContact CE2-CD1 4.41Å; Y1804-Y1908 AromaticContact CE2-CE1 3.84Å; Y1804-Y1908 HydrophobicContact CE2-CE1 3.84Å; Y1804-Y1908 HydrophobicContact CG-CD1 4.13Å; Y1804-Y1908 HydrophobicContact CG-CE1 4.3Å; I1906-Y1908 HydrophobicContact CB-CE2 4.26Å; I1906-Y1908 HydrophobicContact CD1-CE2 4.5Å; I1906-Y1908 HydrophobicContact CG1-CE2 4.32Å; I1906-Y1908 HydrophobicContact CG2-CD2 4.25Å; I1906-Y1908 HydrophobicContact CG2-CE1 4.15Å; I1906-Y1908 HydrophobicContact CG2-CE2 3.67Å; Y1908-V1910 VanDerWaalsContact C-N 3.33Å; Y1908-V1910 PolarHBondContact O-N 3.3Å
1909	D	34.3	Very low	29.3	Very low	134.6 Å²	134.6	114.2 Å²	114.2	72%	0.72	64%	0.642	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-94.8	91.4	173.4	-84.7	-34.5	0	0	0	109.8	Y1804 V1806	Y1804-D1909 PolarHBondContact O-N 2.86Å; V1806-D1909 PolarHBondContact N-O 3.4Å
1910	V	35.7	Very low	29.6	Very low	94.4 Å²	94.4	115 Å²	115	57%	0.572	64%	0.643	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-129	104.5	177.7	-171.6	0	0	0	0	109	V1806 Y1908 I1912	V1806-V1910 HydrophobicContact CB-CG1 4.41Å; V1806-V1910 HydrophobicContact CB-CG2 4.31Å; V1806-V1910 WeakPolarHBondContact O-CA 3.42Å; Y1908-V1910 VanDerWaalsContact C-N 3.33Å; Y1908-V1910 PolarHBondContact O-N 3.3Å; V1910-I1912 HydrophobicContact CG1-CD1 4.17Å; V1910-I1912 HydrophobicContact CG1-CG1 4.08Å; V1910-I1912 PolarHBondContact O-N 2.93Å
1911	Q	31.4	Very low	30	Very low	130.4 Å²	130.4	114 Å²	114	61%	0.609	64%	0.644	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-102.1	114.6	176.3	-170.3	176.8	64.3	0	0	110	V1806 I1808	V1806-Q1911 PolarHBondContact O-N 2.71Å; V1806-Q1911 VanDerWaalsContact O-N 3.08Å; I1808-Q1911 PolarHBondContact N-O 2.89Å
1912	I	32.5	Very low	30.2	Very low	120.4 Å²	120.4	112 Å²	112	62%	0.617	64%	0.644	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-108.3	122.7	176.4	-55.5	175.5	0	0	0	108.9	I1808 M1877 V1910	I1808-I1912 HydrophobicContact CB-CG1 4.38Å; I1808-I1912 HydrophobicContact CD1-CG1 4.37Å; I1808-I1912 WeakPolarHBondContact O-CA 3.48Å; M1877-I1912 HydrophobicContact CE-CG2 4.28Å; M1877-I1912 HydrophobicContact SD-CG2 4.23Å; V1910-I1912 HydrophobicContact CG1-CD1 4.17Å; V1910-I1912 HydrophobicContact CG1-CG1 4.08Å; V1910-I1912 PolarHBondContact O-N 2.93Å
1913	Q	28.9	Very low	30.3	Very low	135 Å²	135	113.3 Å²	113.3	63%	0.631	65%	0.652	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-114.7	132.6	166.9	-77.6	-171	16.3	0	0	109.6	I1808 S1810	I1808-Q1913 PolarHBondContact O-N 2.95Å; S1810-Q1913 PolarHBondContact N-O 2.77Å
1914	S	29	Very low	30.4	Very low	90.8 Å²	90.8	113.2 Å²	113.2	64%	0.635	65%	0.647	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-130.5	133.8	175.9	-176	0	0	0	0	109.9	S1810 M1877	S1810-S1914 VanDerWaalsContact O-CA 3.28Å; S1810-S1914 WeakPolarHBondContact O-CA 3.49Å; M1877-S1914 VanDerWaalsContact SD-CB 3.52Å
1915	G	27.7	Very low	30.4	Very low	55.2 Å²	55.2	114.4 Å²	114.4	57%	0.569	65%	0.65	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-126.4	134.1	177	0	0	0	0	0	110.9	S1810 G1811 V1812	S1810-G1915 PolarHBondContact O-N 3.38Å; G1811-G1915 WeakPolarHBondContact CA-O 3.4Å; V1812-G1915 PolarHBondContact N-O 3.35Å
1916	V	30.3	Very low	30.7	Very low	86.8 Å²	86.8	115.1 Å²	115.1	53%	0.526	65%	0.651	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-118.5	129.9	178.2	-176.9	0	0	0	0	109	V1812 H1918	V1812-V1916 HydrophobicContact CB-CG1 4.44Å; V1812-V1916 HydrophobicContact CB-CG2 4.38Å; V1812-V1916 WeakPolarHBondContact O-CA 3.28Å; V1916-H1918 WeakPolarHBondContact CG1-NE2 3.43Å
1917	I	30.2	Very low	30.6	Very low	139.8 Å²	139.8	115.4 Å²	115.4	72%	0.717	65%	0.654	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-112.2	125.2	176.7	-57.9	176.7	0	0	0	108.5	V1812 H1814	V1812-I1917 PolarHBondContact O-N 3Å; H1814-I1917 PolarHBondContact N-O 2.95Å
1918	H	32.1	Very low	30.7	Very low	129.6 Å²	129.6	118.7 Å²	118.7	60%	0.6	67%	0.667	S	S	*	*			trans	-112.8	118.2	174.9	-67.6	-80.4	0	0	0	110.1	S1875 V1916 V1920	S1875-H1918 PolarHBondContact OG-CE1 3.33Å; S1875-H1918 PolarHBondContact OG-NE2 3.32Å; V1916-H1918 WeakPolarHBondContact CG1-NE2 3.43Å; H1918-V1920 HydrophobicContact CB-CG2 4.48Å
1919	S	32.4	Very low	30.8	Very low	88.2 Å²	88.2	116.4 Å²	116.4	62%	0.617	67%	0.67	S	S	*	*			trans	-101.2	125.6	163.1	48.5	0	0	0	0	109.6	H1814 S1815	H1814-S1919 PolarHBondContact O-N 3.22Å; H1814-S1919 PolarHBondContact O-OG 3.13Å; S1815-S1919 WeakPolarHBondContact CB-O 3.38Å; S1815-S1919 PolarHBondContact OG-O 3.01Å; S1815-S1919 PolarHBondContact OG-OG 3.23Å
1920	V	32.3	Very low	30.8	Very low	120.2 Å²	120.2	115.2 Å²	115.2	73%	0.728	67%	0.67	S	S	*	*			trans	-127	111	176.9	-175.8	0	0	0	0	108.3	S1815 H1918 G1922	S1815-V1920 WeakPolarHBondContact OG-CG2 3.39Å; H1918-V1920 HydrophobicContact CB-CG2 4.48Å; V1920-G1922 PolarHBondContact O-N 2.98Å
1921	D	32	Very low	30.8	Very low	151.8 Å²	151.8	116.2 Å²	116.2	81%	0.812	68%	0.678	S	S	*	*			trans	-85.6	108.4	-179.1	-74.3	-44	0	0	0	111.4	T1923	D1921-T1923 PolarHBondContact O-N 3.01Å; D1921-T1923 VanDerWaalsContact O-N 3.1Å
1922	G	29.5	Very low	31	Very low	61.4 Å²	61.4	116.9 Å²	116.9	63%	0.633	69%	0.685	S	S	*	*			trans	-110	121.8	-178.8	0	0	0	0	0	112.7	V1920 Q1924	V1920-G1922 PolarHBondContact O-N 2.98Å; G1922-Q1924 PolarHBondContact O-N 3.07Å; G1922-Q1924 VanDerWaalsContact O-N 3.07Å
1923	T	28.7	Very low	30.9	Very low	133 Å²	133	115.9 Å²	115.9	82%	0.816	69%	0.694	S	S	*	*			trans	-99.1	119.6	179.7	37	0	0	0	0	112.2	T1819 D1921 T1925	T1819-T1923 WeakPolarHBondContact CB-O 3.19Å; T1819-T1923 PolarHBondContact OG1-O 3.38Å; D1921-T1923 PolarHBondContact O-N 3.01Å; D1921-T1923 VanDerWaalsContact O-N 3.1Å; T1923-T1925 PolarHBondContact O-N 3.1Å; T1923-T1925 PolarHBondContact O-OG1 3.1Å
1924	Q	27.4	Very low	31.1	Very low	146.4 Å²	146.4	117.7 Å²	117.7	68%	0.684	71%	0.705	S	S	*	*			trans	-93.3	123.5	172.3	-112.5	-175.5	30.8	0	0	112.1	G1922 V1926	G1922-Q1924 PolarHBondContact O-N 3.07Å; G1922-Q1924 VanDerWaalsContact O-N 3.07Å; Q1924-V1926 VanDerWaalsContact C-N 3.29Å; Q1924-V1926 HydrophobicContact CB-CG2 4.49Å; Q1924-V1926 HydrophobicContact CG-CG2 4.25Å; Q1924-V1926 PolarHBondContact O-N 3.05Å
1925	T	29.1	Very low	31.3	Very low	113.2 Å²	113.2	121.7 Å²	121.7	69%	0.694	71%	0.711	S	S	*	*			trans	-94	106.1	154.6	-55.6	0	0	0	0	110.8	T1923 D1927 R2517	T1923-T1925 PolarHBondContact O-N 3.1Å; T1923-T1925 PolarHBondContact O-OG1 3.1Å; T1925-D1927 VanDerWaalsContact CG2-OD2 3.26Å; T1925-D1927 WeakPolarHBondContact CG2-OD2 3.45Å; T1925-D1927 PolarHBondContact O-N 3.07Å; T1925-D1927 VanDerWaalsContact O-N 3.15Å; T1925-R2517 PolarHBondContact OG1-NH1 2.65Å
1926	V	33.3	Very low	31.3	Very low	108.4 Å²	108.4	126.5 Å²	126.5	66%	0.657	72%	0.718	S	S	*	*			trans	-87	114.5	145.5	-179.6	0	0	0	0	108.5	Q1924 L1928	Q1924-V1926 VanDerWaalsContact C-N 3.29Å; Q1924-V1926 HydrophobicContact CB-CG2 4.49Å; Q1924-V1926 HydrophobicContact CG-CG2 4.25Å; Q1924-V1926 PolarHBondContact O-N 3.05Å; V1926-L1928 VanDerWaalsContact C-N 3.25Å; V1926-L1928 HydrophobicContact CG1-CD1 3.72Å; V1926-L1928 HydrophobicContact CG1-CD2 3.92Å; V1926-L1928 HydrophobicContact CG1-CG 4.04Å; V1926-L1928 PolarHBondContact O-N 3.14Å
1927	D	27.7	Very low	31.4	Very low	134.6 Å²	134.6	130.1 Å²	130.1	72%	0.72	73%	0.731	S	S	*	*			trans	-97	110.9	-176	-150.3	-15.6	0	0	0	110.2	T1925 T1929	T1925-D1927 VanDerWaalsContact CG2-OD2 3.26Å; T1925-D1927 WeakPolarHBondContact CG2-OD2 3.45Å; T1925-D1927 PolarHBondContact O-N 3.07Å; T1925-D1927 VanDerWaalsContact O-N 3.15Å; D1927-T1929 PolarHBondContact O-N 3.24Å; D1927-T1929 PolarHBondContact OD1-OG1 3.09Å
1928	L	31.9	Very low	31.3	Very low	156.8 Å²	156.8	128.3 Å²	128.3	82%	0.821	73%	0.731	S	S	*	*			trans	-114.8	94.1	170	-78.4	-177.4	0	0	0	112.1	V1926 P1930	V1926-L1928 VanDerWaalsContact C-N 3.25Å; V1926-L1928 HydrophobicContact CG1-CD1 3.72Å; V1926-L1928 HydrophobicContact CG1-CD2 3.92Å; V1926-L1928 HydrophobicContact CG1-CG 4.04Å; V1926-L1928 PolarHBondContact O-N 3.14Å; L1928-P1930 WeakPolarHBondContact O-CD 3.37Å
1929	T	31	Very low	31.4	Very low	113.4 Å²	113.4	128 Å²	128	70%	0.696	74%	0.738	S	S	*	*			trans	-64.3	134.4	165.6	-43.5	0	0	0	0	111.2	D1927 P1931	D1927-T1929 PolarHBondContact O-N 3.24Å; D1927-T1929 PolarHBondContact OD1-OG1 3.09Å; T1929-P1931 VanDerWaalsContact C-CD 3.43Å; T1929-P1931 WeakPolarHBondContact O-CD 3.33Å
1930	P	34.6	Very low	31.3	Very low	108.6 Å²	108.6	129.7 Å²	129.7	71%	0.705	74%	0.744	S	S	*	*			trans	-85.7	139.3	-172.2	29.9	-28.8	0	0	0	111	L1928 I1932	L1928-P1930 WeakPolarHBondContact O-CD 3.37Å; P1930-I1932 PolarHBondContact O-N 3.24Å
1931	P	35.5	Very low	31.3	Very low	115.4 Å²	115.4	131.9 Å²	131.9	75%	0.749	75%	0.746	S	S	*	*			trans	-84.6	130.5	-168.2	30.6	-30	0	0	0	111.9	T1929 A1933	T1929-P1931 VanDerWaalsContact C-CD 3.43Å; T1929-P1931 WeakPolarHBondContact O-CD 3.33Å; P1931-A1933 PolarHBondContact O-N 3.2Å
1932	I	35	Very low	31.4	Very low	146 Å²	146	131.7 Å²	131.7	75%	0.749	74%	0.741	S	S	*	*			trans	11.4	109.8	166	-54.1	177.3	0	0	0	113	P1930 M1934	P1930-I1932 PolarHBondContact O-N 3.24Å; I1932-M1934 HydrophobicContact CG2-CE 4.38Å; I1932-M1934 HydrophobicContact CG2-CG 4.23Å; I1932-M1934 PolarHBondContact O-N 3.1Å
1933	A	29.5	Very low	31.5	Very low	98.4 Å²	98.4	136.8 Å²	136.8	81%	0.813	75%	0.745	S	S	*	*			trans	-75.5	115.4	172.2	0	0	0	0	0	111.4	P1931 K1935	P1931-A1933 PolarHBondContact O-N 3.2Å; A1933-K1935 PolarHBondContact O-N 2.9Å
1934	M	33.9	Very low	31.7	Very low	174 Å²	174	137.8 Å²	137.8	86%	0.857	74%	0.741	S	S	*	*			trans	-115.4	116.7	159.4	-83.4	-174	-36.6	0	0	110.6	I1932 E1936	I1932-M1934 HydrophobicContact CG2-CE 4.38Å; I1932-M1934 HydrophobicContact CG2-CG 4.23Å; I1932-M1934 PolarHBondContact O-N 3.1Å; M1934-E1936 PolarHBondContact O-N 2.97Å
1935	K	32.9	Very low	32.1	Very low	174.2 Å²	174.2	135.6 Å²	135.6	76%	0.757	74%	0.739	S	S	*	*			trans	3.3	106.8	147.3	-172.5	-176.2	178.7	-167.9	0	113.8	A1933 M1937	A1933-K1935 PolarHBondContact O-N 2.9Å; K1935-M1937 PolarHBondContact O-N 3.43Å
1936	E	28	Very low	32.3	Very low	157.2 Å²	157.2	136.3 Å²	136.3	74%	0.735	74%	0.744	S	S	*	*			trans	48.7	124.4	145.2	-149.7	172.4	-159.4	0	0	116.6	M1934	M1934-E1936 PolarHBondContact O-N 2.97Å
1937	M	32.7	Very low	32.3	Very low	162.4 Å²	162.4	137.8 Å²	137.8	80%	0.8	75%	0.747	S	S	*	*			trans	-120.7	99.5	161.5	-138.4	76.2	91.8	0	0	114.2	K1935 V1939	K1935-M1937 PolarHBondContact O-N 3.43Å; M1937-V1939 HydrophobicContact CG-CG2 4.03Å; M1937-V1939 PolarHBondContact O-N 2.87Å; M1937-V1939 VanDerWaalsContact O-N 3.15Å; M1937-V1939 HydrophobicContact SD-CG2 4.35Å
1938	S	28.7	Very low	32.8	Very low	100.4 Å²	100.4	139.2 Å²	139.2	70%	0.702	75%	0.753	S	S	*	*			trans	-62.7	121.9	160.9	-35.4	0	0	0	0	113.6
1939	V	34.1	Very low	32.8	Very low	123.6 Å²	123.6	141.3 Å²	141.3	75%	0.749	76%	0.755	S	S	*	*			trans	-151.3	110.8	154.3	174.8	0	0	0	0	110.7	M1937 H1941	M1937-V1939 HydrophobicContact CG-CG2 4.03Å; M1937-V1939 PolarHBondContact O-N 2.87Å; M1937-V1939 VanDerWaalsContact O-N 3.15Å; M1937-V1939 HydrophobicContact SD-CG2 4.35Å; V1939-H1941 HydrophobicContact CG1-CB 4.45Å; V1939-H1941 VanDerWaalsContact CG1-CD2 3.43Å; V1939-H1941 WeakPolarHBondContact CG1-CD2 3.18Å; V1939-H1941 PolarHBondContact O-N 3.13Å
1940	V	28.9	Very low	32.9	Very low	124 Å²	124	139.4 Å²	139.4	75%	0.752	76%	0.758	S	S	*	*			trans	-29.7	121.4	147.1	-179.3	0	0	0	0	112	E1942	V1940-E1942 HydrophobicContact CG1-CG 4.28Å
1941	H	33	Very low	33	Very low	165.8 Å²	165.8	144.1 Å²	144.1	77%	0.768	77%	0.768	S	S	*	*			trans	-138.4	122.6	139.7	-116.3	-91.2	0	0	0	111.9	V1939	V1939-H1941 HydrophobicContact CG1-CB 4.45Å; V1939-H1941 VanDerWaalsContact CG1-CD2 3.43Å; V1939-H1941 WeakPolarHBondContact CG1-CD2 3.18Å; V1939-H1941 PolarHBondContact O-N 3.13Å
1942	E	33.4	Very low	32.7	Very low	149 Å²	149	146.8 Å²	146.8	70%	0.696	77%	0.768	S	S	*	*			trans	-34.2	147.5	152	-96.2	-169.3	135.5	0	0	116.5	V1940 E1944	V1940-E1942 HydrophobicContact CG1-CG 4.28Å; E1942-E1944 PolarHBondContact O-N 3.2Å
1943	K	32.6	Very low	32.7	Very low	167 Å²	167	147.8 Å²	147.8	73%	0.726	77%	0.773	S	S	*	*			trans	95.2	123.4	151.5	-101.6	-172.5	176.9	-148.6	0	116.2
1944	E	33.3	Very low	32.8	Very low	155.2 Å²	155.2	149.9 Å²	149.9	73%	0.725	77%	0.767	S	S	*	*				177.4	153.1	78.2	-128.6	174.2	104.1	0	0	111.9	E1942	E1942-E1944 PolarHBondContact O-N 3.2Å
1945	P	34.7	Very low	32.6	Very low	100.8 Å²	100.8	148.3 Å²	148.3	66%	0.655	77%	0.766	S	S	*	*			trans	-110.4	173.9	-152.5	39.2	-31.2	0	0	0	114.6	I1947	P1945-I1947 HydrophobicContact CG-CD1 4.23Å
1946	T	34.7	Very low	32.4	Very low	127.6 Å²	127.6	149.4 Å²	149.4	78%	0.783	77%	0.765	S	S	*	*			trans	175.3	117.3	157.5	-39.9	0	0	0	0	114.6
1947	I	32	Very low	32.5	Very low	140.4 Å²	140.4	147.3 Å²	147.3	72%	0.72	77%	0.767	S	S	*	*			trans	25	122.1	146.9	-49.2	164.2	0	0	0	115.1	P1945	P1945-I1947 HydrophobicContact CG-CD1 4.23Å
1948	L	38.4	Very low	32.4	Very low	162.8 Å²	162.8	145.5 Å²	145.5	85%	0.852	76%	0.761	S	S	*	*			trans	-175.1	137.3	131.6	-90.3	172.3	0	0	0	113.3
1949	K	31.1	Very low	32.5	Very low	201 Å²	201	145.9 Å²	145.9	87%	0.874	76%	0.764	S	S	*	*			trans	-66.9	130.4	160.2	-67.9	179.7	175.7	177.3	0	114.6
1950	G	33.2	Very low	32.4	Very low	73.4 Å²	73.4	145.7 Å²	145.7	76%	0.757	76%	0.763	S	S	*	*			trans	173.3	132	160.6	0	0	0	0	0	119
1951	K	37.4	Very low	32.6	Very low	208.4 Å²	208.4	146.4 Å²	146.4	91%	0.906	76%	0.762	S	S	*	*			trans	164.2	144.4	157.3	-93.7	174.3	-177.7	176.6	0	113.5
1952	K	30	Very low	32.5	Very low	172.2 Å²	172.2	145.9 Å²	145.9	75%	0.749	76%	0.764	S	S	*	*			trans	-86.8	141.7	-172.9	-107	-179.8	176.2	-178	0	111	D1863 Q1864	D1863-K1952 PolarHBondContact O-NZ 2.83Å; Q1864-K1952 WeakPolarHBondContact O-CE 3.35Å; Q1864-K1952 PolarHBondContact O-NZ 3.17Å
1953	L	35.2	Very low	32.5	Very low	165.6 Å²	165.6	142.1 Å²	142.1	87%	0.867	77%	0.766	S	S	*	*			trans	-145.3	134.5	149	-78.1	173.6	0	0	0	110.8
1954	Q	29.7	Very low	32.4	Very low	143.2 Å²	143.2	140.4 Å²	140.4	67%	0.669	77%	0.768	S	S	*	*			trans	-143.7	118.2	-174.5	178.4	177.6	11.7	0	0	110.3	D1863 R1956	D1863-Q1954 PolarHBondContact OD2-NE2 3.37Å; Q1954-R1956 HydrophobicContact CG-CB 4.45Å; Q1954-R1956 PolarHBondContact O-N 3.36Å
1955	V	31.7	Very low	32.2	Very low	139.4 Å²	139.4	141.2 Å²	141.2	85%	0.845	77%	0.772	S	S	*	*			trans	-74.4	127.4	158.3	-178.4	0	0	0	0	112.7
1956	R	28.5	Very low	32.1	Very low	197.6 Å²	197.6	141.1 Å²	141.1	75%	0.746	77%	0.77	S	S	*	*			trans	-146.7	138.4	156.7	-168.4	177.8	177.3	140.2	6	109.9	Q1954 D1958	Q1954-R1956 HydrophobicContact CG-CB 4.45Å; Q1954-R1956 PolarHBondContact O-N 3.36Å; R1956-D1958 WeakPolarHBondContact CG-OD1 3.38Å; R1956-D1958 IonicContact CZ-OD1 3.15Å; R1956-D1958 IonicContact CZ-OD2 2.99Å; R1956-D1958 VanDerWaalsContact CZ-OD2 3.25Å; R1956-D1958 VanDerWaalsContact NE-CG 3.3Å; R1956-D1958 IonicContact NE-OD1 2.67Å; R1956-D1958 PolarHBondContact NE-OD1 3.43Å; R1956-D1958 IonicContact NE-OD2 3.71Å; R1956-D1958 PolarHBondContact NE-OD2 2.93Å; R1956-D1958 IonicContact NH2-OD1 2.67Å; R1956-D1958 IonicContact NH2-OD2 3.39Å; R1956-D1958 PolarHBondContact NH2-OD2 2.88Å; R1956-D1958 VanDerWaalsContact NH2-OD2 3.14Å
1957	C	28.4	Very low	32	Very low	114.4 Å²	114.4	141.3 Å²	141.3	77%	0.773	77%	0.766	S	S	*	*			trans	-162	137.2	160.3	-68.4	0	0	0	0	108.3
1958	D	30.9	Very low	32	Very low	124.4 Å²	124.4	142.3 Å²	142.3	67%	0.665	77%	0.767	S	S	*	*				162.3	128	65.6	-72.1	-35.9	0	0	0	109.6	R1956	R1956-D1958 WeakPolarHBondContact CG-OD1 3.38Å; R1956-D1958 IonicContact CZ-OD1 3.15Å; R1956-D1958 IonicContact CZ-OD2 2.99Å; R1956-D1958 VanDerWaalsContact CZ-OD2 3.25Å; R1956-D1958 VanDerWaalsContact NE-CG 3.3Å; R1956-D1958 IonicContact NE-OD1 2.67Å; R1956-D1958 PolarHBondContact NE-OD1 3.43Å; R1956-D1958 IonicContact NE-OD2 3.71Å; R1956-D1958 PolarHBondContact NE-OD2 2.93Å; R1956-D1958 IonicContact NH2-OD1 2.67Å; R1956-D1958 IonicContact NH2-OD2 3.39Å; R1956-D1958 PolarHBondContact NH2-OD2 2.88Å; R1956-D1958 VanDerWaalsContact NH2-OD2 3.14Å
1959	S	30.8	Very low	31.6	Very low	109 Å²	109	139.8 Å²	139.8	76%	0.762	76%	0.76	S	S	*	*			trans	-167.8	147	163.7	-166.8	0	0	0	0	112.9
1960	T	31.5	Very low	31.4	Very low	118.6 Å²	118.6	138.2 Å²	138.2	73%	0.728	76%	0.757	S	S	*	*			trans	61.8	128.7	146.2	-17.9	0	0	0	0	116.6
1961	D	33.1	Very low	31.2	Very low	137.8 Å²	137.8	139.4 Å²	139.4	74%	0.737	75%	0.754	S	S	*	*			cis	-156	171.7	42.1	-130.7	-20.5	0	0	0	115
1962	L	32.3	Very low	30.8	Very low	156.4 Å²	156.4	135.3 Å²	135.3	82%	0.819	75%	0.746	S	S	*	*			trans	15.4	133.5	172.2	-90.3	69.2	0	0	0	116.2
1963	G	32.6	Very low	30.7	Very low	69.8 Å²	69.8	133.1 Å²	133.1	72%	0.72	75%	0.747	S	S	*	*			cis	147.6	160	37.7	0	0	0	0	0	112.1
1964	V	31.8	Very low	30.4	Very low	130 Å²	130	133 Å²	133	79%	0.788	74%	0.742	S	S	*	*			cis	-156.5	139.1	29.3	-172	0	0	0	0	111.5
1965	Q	29.2	Very low	30.4	Very low	171.6 Å²	171.6	132.9 Å²	132.9	80%	0.802	75%	0.745	S	S	*	*			trans	68	142.4	149.5	-105.1	177.5	-65.1	0	0	120.6
1966	T	32.3	Very low	30.3	Very low	100 Å²	100	133 Å²	133	61%	0.613	74%	0.741	S	S	*	*			cis	-114.9	148.8	36.2	-11.7	0	0	0	0	112.1
1967	D	32.2	Very low	30.2	Very low	131.6 Å²	131.6	128 Å²	128	70%	0.704	74%	0.736	S	S	*	*				80.2	152	122.5	-85.6	-20.6	0	0	0	118.2
1968	H	31.1	Very low	30.3	Very low	160.2 Å²	160.2	131.7 Å²	131.7	74%	0.742	74%	0.739	S	S	*	*				150.6	142.7	59.3	-85.5	9.3	0	0	0	111.9
1969	T	31.1	Very low	30.1	Very low	111.8 Å²	111.8	133.1 Å²	133.1	69%	0.686	75%	0.746	S	S	*	*				179	132.2	59.3	-70.3	0	0	0	0	112.7
1970	M	27.2	Very low	30.1	Very low	167.4 Å²	167.4	133.5 Å²	133.5	83%	0.825	74%	0.744	S	S	*	*			trans	43.4	145.9	152.9	-62.1	-133.1	-83.9	0	0	119.2
1971	S	28.9	Very low	30	Very low	97.2 Å²	97.2	135.7 Å²	135.7	68%	0.68	75%	0.746	S	S	*	*				162.4	147.3	93.8	-104.1	0	0	0	0	117.1
1972	T	28.5	Very low	29.8	Very low	123 Å²	123	135.1 Å²	135.1	76%	0.755	75%	0.748	S	S	*	*				98.9	148	124.4	-41	0	0	0	0	117.2
1973	V	28.8	Very low	29.7	Very low	126 Å²	126	132 Å²	132	76%	0.764	75%	0.745	S	S	*	*			trans	66.4	129.5	148.8	-167.9	0	0	0	0	115.8	L1975	V1973-L1975 HydrophobicContact CG1-CD1 3.94Å
1974	H	28.2	Very low	29.6	Very low	163 Å²	163	135.7 Å²	135.7	76%	0.755	75%	0.747	S	S	*	*				-136.8	140.4	116.7	-168	-81.4	0	0	0	113.7
1975	L	28.3	Very low	29.5	Very low	141 Å²	141	135.2 Å²	135.2	74%	0.738	74%	0.744	S	S	*	*			trans	-107.7	148.5	164.5	-102.9	69.8	0	0	0	113.8	V1973	V1973-L1975 HydrophobicContact CG1-CD1 3.94Å
1976	D	29.7	Very low	29.6	Very low	142.4 Å²	142.4	133.6 Å²	133.6	76%	0.761	74%	0.736	S	S	*	*			trans	161.7	142.4	146.2	-136.9	-16.9	0	0	0	115.7
1977	S	27.9	Very low	29.4	Very low	93 Å²	93	137.9 Å²	137.9	65%	0.65	74%	0.743	S	S	*	*			trans	164.3	142.3	172.1	70	0	0	0	0	115.9
1978	K	29.8	Very low	29.3	Very low	192.2 Å²	192.2	136.9 Å²	136.9	84%	0.836	74%	0.741	S	S	*	*			trans	-175.8	134.1	162	-75.9	173.3	-179.3	173.3	0	112.2
1979	L	28	Very low	29.2	Very low	153.2 Å²	153.2	136.3 Å²	136.3	80%	0.802	74%	0.743	S	S	*	*				115.4	126	61.3	-158.8	71	0	0	0	112.8	Q1981	L1979-Q1981 HydrophobicContact CG-CB 4.49Å
1980	T	30.4	Very low	29.2	Very low	116.8 Å²	116.8	137.1 Å²	137.1	72%	0.717	75%	0.748	S	S	*	*			trans	169.6	132.6	152.2	-1.2	0	0	0	0	111.7
1981	Q	28.7	Very low	29.3	Very low	166.2 Å²	166.2	133.7 Å²	133.7	78%	0.777	74%	0.74	S	S	*	*			cis	152.3	138.1	49.9	-145.3	165.2	15	0	0	112.5	L1979	L1979-Q1981 HydrophobicContact CG-CB 4.49Å
1982	T	28.5	Very low	29.3	Very low	125 Å²	125	134.4 Å²	134.4	77%	0.767	74%	0.744	S	S	*	*			trans	66.5	129.4	138.3	-56.8	0	0	0	0	114.6
1983	A	31.5	Very low	29.2	Very low	91.6 Å²	91.6	136.7 Å²	136.7	76%	0.757	75%	0.746	S	S	*	*			trans	-144.4	140.5	133.5	0	0	0	0	0	110.1
1984	L	29.1	Very low	29.2	Very low	147.2 Å²	147.2	140.1 Å²	140.1	77%	0.771	75%	0.747	S	S	*	*				99.3	133.6	122	-146.3	93.5	0	0	0	113.8
1985	V	31.1	Very low	29.3	Very low	119.2 Å²	119.2	137.6 Å²	137.6	72%	0.722	74%	0.743	S	S	*	*			trans	113.7	124.9	138.1	179	0	0	0	0	113.5	Y1987	V1985-Y1987 HydrophobicContact CG1-CD2 3.4Å; V1985-Y1987 HydrophobicContact CG1-CE2 3.49Å; V1985-Y1987 VanDerWaalsContact CG1-CE2 3.49Å
1986	H	29.7	Very low	29.4	Very low	138.4 Å²	138.4	138.5 Å²	138.5	64%	0.641	74%	0.744	S	S	*	*				152.4	147.9	56.4	-114.5	-114	0	0	0	111.7
1987	Y	29.5	Very low	29.4	Very low	190.4 Å²	190.4	138.7 Å²	138.7	75%	0.747	74%	0.744	S	S	*	*				140.7	157.1	91.1	-89.3	-109.8	0	0	0	115.2	V1985	V1985-Y1987 HydrophobicContact CG1-CD2 3.4Å; V1985-Y1987 HydrophobicContact CG1-CE2 3.49Å; V1985-Y1987 VanDerWaalsContact CG1-CE2 3.49Å
1988	T	29.9	Very low	29.6	Very low	109.6 Å²	109.6	140.1 Å²	140.1	67%	0.672	75%	0.749	S	S	*	*				-158.9	146.4	103.7	26.3	0	0	0	0	114.4
1989	D	29.4	Very low	29.6	Very low	148.2 Å²	148.2	140.4 Å²	140.4	79%	0.793	75%	0.75	S	S	*	*				-31.7	150	127.2	-91.9	-38.3	0	0	0	116.6
1990	V	31.1	Very low	29.9	Very low	127.8 Å²	127.8	138.9 Å²	138.9	78%	0.775	75%	0.749	S	S	*	*			trans	-164.2	139	144.9	-134.4	0	0	0	0	115.9
1991	S	28.4	Very low	29.8	Very low	96.2 Å²	96.2	138.5 Å²	138.5	67%	0.673	75%	0.751	S	S	*	*			trans	-89.8	163.2	177.6	62.7	0	0	0	0	115.7
1992	C	28	Very low	29.9	Very low	111.6 Å²	111.6	135.6 Å²	135.6	75%	0.754	75%	0.75	S	S	*	*				112	149.8	120.8	-80.7	0	0	0	0	115.9
1993	Q	28.2	Very low	30	Very low	170.8 Å²	170.8	135.4 Å²	135.4	80%	0.798	75%	0.748	S	S	*	*				-147.5	161.7	51.2	-81.3	177.3	46.3	0	0	113.3
1994	Y	27.2	Very low	29.7	Very low	197.4 Å²	197.4	135.2 Å²	135.2	77%	0.774	74%	0.742	S	S	*	*			trans	-127.5	146.9	149.7	-129.5	-100.1	0	0	0	110.2	E1996	Y1994-E1996 HydrophobicContact CD1-CG 4.11Å; Y1994-E1996 HydrophobicContact CE1-CG 4Å
1995	T	30.7	Very low	29.9	Very low	111.2 Å²	111.2	137 Å²	137	68%	0.682	75%	0.745	S	S	*	*				-154.4	138.8	129	-53.3	0	0	0	0	110.8	L1997	T1995-L1997 HydrophobicContact CG2-CD1 3.84Å
1996	E	29.7	Very low	29.7	Very low	161 Å²	161	137 Å²	137	75%	0.752	75%	0.745	S	S	*	*			trans	-87	160.9	167.6	-61	171.9	119.1	0	0	113.5	Y1994	Y1994-E1996 HydrophobicContact CD1-CG 4.11Å; Y1994-E1996 HydrophobicContact CE1-CG 4Å
1997	L	30.3	Very low	29.8	Very low	145.6 Å²	145.6	136.9 Å²	136.9	76%	0.762	75%	0.754	S	S	*	*			trans	-158	123.5	136.4	-110.6	98.7	0	0	0	113.6	T1995	T1995-L1997 HydrophobicContact CG2-CD1 3.84Å
1998	T	32.5	Very low	29.8	Very low	122 Å²	122	133.4 Å²	133.4	75%	0.748	75%	0.753	S	S	*	*				96.4	123.7	122	-33.3	0	0	0	0	118.5
1999	K	30.1	Very low	29.6	Very low	198.2 Å²	198.2	133.2 Å²	133.2	86%	0.862	76%	0.756	S	S	*	*			trans	-72.2	157.3	148.2	-83.1	-179.6	-179.8	177.5	0	112.2
2000	P	33.7	Very low	29.6	Very low	122 Å²	122	137.3 Å²	137.3	79%	0.792	76%	0.76	S	S	*	*				-125.1	173.1	89.4	32.3	-17	0	0	0	112.6
2001	S	27.9	Very low	29.4	Very low	108 Å²	108	137.8 Å²	137.8	76%	0.755	76%	0.764	S	S	*	*			trans	-136.7	142.8	-172.6	-173.2	0	0	0	0	109.7
2002	S	30.5	Very low	29.4	Very low	106.4 Å²	106.4	138.9 Å²	138.9	74%	0.744	77%	0.766	S	S	*	*			trans	156.8	121.6	146.8	-174.8	0	0	0	0	112.2
2003	T	30.8	Very low	29.3	Very low	120.2 Å²	120.2	138.4 Å²	138.4	74%	0.737	76%	0.763	S	S	*	*				-128.1	138.4	71.1	-40	0	0	0	0	111.5
2004	S	26.3	Very low	29.4	Very low	88.2 Å²	88.2	136.9 Å²	136.9	62%	0.617	76%	0.759	S	S	*	*			trans	-78.2	142.8	172.9	66.1	0	0	0	0	113.8
2005	H	33	Very low	29.3	Very low	184 Å²	184	134.4 Å²	134.4	85%	0.852	76%	0.755	S	S	*	*			trans	-154.5	136.1	130.5	-93.5	-71.7	0	0	0	110.8
2006	V	27.4	Very low	29.2	Very low	119.2 Å²	119.2	135.1 Å²	135.1	72%	0.722	76%	0.759	S	S	*	*			trans	-92.1	123	167.4	176.9	0	0	0	0	110.1	T2008	V2006-T2008 HydrophobicContact CG1-CG2 3.83Å
2007	V	31.4	Very low	29.1	Very low	136.6 Å²	136.6	133.1 Å²	133.1	83%	0.828	75%	0.754	S	S	*	*			trans	-133.7	113.5	157.9	-178.1	0	0	0	0	109.4	S2009	V2007-S2009 PolarHBondContact O-N 3Å
2008	T	28.2	Very low	29.2	Very low	116.6 Å²	116.6	132.5 Å²	132.5	72%	0.715	76%	0.756	S	S	*	*			trans	-61	131.4	173.2	47.5	0	0	0	0	114.5	V2006	V2006-T2008 HydrophobicContact CG1-CG2 3.83Å
2009	S	27	Very low	29.3	Very low	105 Å²	105	131.5 Å²	131.5	73%	0.734	75%	0.751	S	S	*	*			trans	-55.9	127.3	152	50.9	0	0	0	0	113.3	V2007	V2007-S2009 PolarHBondContact O-N 3Å
2010	R	28.7	Very low	29.3	Very low	235 Å²	235	131.4 Å²	131.4	89%	0.887	75%	0.751	S	S	*	*				-140.2	124	122.3	-99.8	177.9	-178.2	-175	0.2	110.7	V2012	R2010-V2012 HydrophobicContact CB-CG2 4.29Å; R2010-V2012 PolarHBondContact O-N 3.49Å; R2010-V2012 VanDerWaalsContact O-N 3.12Å
2011	V	26.4	Very low	29	Very low	139.4 Å²	139.4	130.4 Å²	130.4	85%	0.845	75%	0.747	S	S	*	*			trans	-73.8	126.7	169	177.9	0	0	0	0	108.9
2012	V	29.1	Very low	29.1	Very low	118.2 Å²	118.2	130.9 Å²	130.9	72%	0.716	75%	0.746	S	S	*	*			trans	-120.5	113.4	169.7	179.9	0	0	0	0	108.7	R2010 I2014	R2010-V2012 HydrophobicContact CB-CG2 4.29Å; R2010-V2012 PolarHBondContact O-N 3.49Å; R2010-V2012 VanDerWaalsContact O-N 3.12Å; V2012-I2014 HydrophobicContact CG1-CD1 3.98Å; V2012-I2014 HydrophobicContact CG1-CG1 4.04Å; V2012-I2014 PolarHBondContact O-N 3.19Å
2013	S	26	Very low	28.9	Very low	101.2 Å²	101.2	132.6 Å²	132.6	71%	0.708	75%	0.746	S	S	*	*			trans	-75.4	129.4	167.1	94.6	0	0	0	0	109.9
2014	I	30.7	Very low	28.9	Very low	138.6 Å²	138.6	134 Å²	134	71%	0.711	75%	0.748	S	S	*	*			trans	-122.4	104.4	163.6	-70	174.6	0	0	0	107.3	V2012 T2016	V2012-I2014 HydrophobicContact CG1-CD1 3.98Å; V2012-I2014 HydrophobicContact CG1-CG1 4.04Å; V2012-I2014 PolarHBondContact O-N 3.19Å; I2014-T2016 HydrophobicContact CG2-CG2 4.38Å; I2014-T2016 PolarHBondContact O-N 2.87Å
2015	Q	25.1	Very low	29	Very low	146.4 Å²	146.4	140.6 Å²	140.6	68%	0.684	76%	0.759	S	S	*	*			trans	-57	133.5	155	-169.9	123.9	-1.9	0	0	109.9	D2017	Q2015-D2017 WeakPolarHBondContact CG-OD1 3.3Å; Q2015-D2017 WeakPolarHBondContact CG-OD2 3.39Å; Q2015-D2017 VanDerWaalsContact NE2-CG 3.29Å; Q2015-D2017 PolarHBondContact NE2-OD1 3.03Å; Q2015-D2017 PolarHBondContact NE2-OD2 3.03Å
2016	T	28.3	Very low	28.9	Very low	124.6 Å²	124.6	137.4 Å²	137.4	76%	0.764	75%	0.752	S	S	*	*			trans	-140.9	105.3	151.7	16.9	0	0	0	0	109.9	I2014	I2014-T2016 HydrophobicContact CG2-CG2 4.38Å; I2014-T2016 PolarHBondContact O-N 2.87Å
2017	D	27.9	Very low	29	Very low	120.6 Å²	120.6	138.1 Å²	138.1	65%	0.645	75%	0.752	S	S	*	*			trans	-56.5	143.2	167.5	-61.1	-61.3	0	0	0	114.2	Q2015	Q2015-D2017 WeakPolarHBondContact CG-OD1 3.3Å; Q2015-D2017 WeakPolarHBondContact CG-OD2 3.39Å; Q2015-D2017 VanDerWaalsContact NE2-CG 3.29Å; Q2015-D2017 PolarHBondContact NE2-OD1 3.03Å; Q2015-D2017 PolarHBondContact NE2-OD2 3.03Å
2018	V	32.1	Very low	29.1	Very low	133 Å²	133	139.1 Å²	139.1	81%	0.806	75%	0.748	S	S	*	*			trans	128.4	146	132.4	-148.9	0	0	0	0	112.3
2019	P	33.9	Very low	29.2	Very low	99.2 Å²	99.2	143.7 Å²	143.7	64%	0.644	75%	0.752	S	S	*	*				-121.8	174.6	-110.2	34.3	-18.1	0	0	0	115
2020	F	30.3	Very low	29.4	Very low	196.6 Å²	196.6	146 Å²	146	86%	0.862	76%	0.756	S	S	*	*			trans	99.9	111.3	160.9	-65.2	-68.4	0	0	0	115.2	T2022	F2020-T2022 PolarHBondContact O-N 3.49Å
2021	S	28.3	Very low	29.7	Very low	101.2 Å²	101.2	143.9 Å²	143.9	71%	0.708	75%	0.753	S	S	*	*				62.4	134.9	116.1	-169.4	0	0	0	0	113.2
2022	T	29.3	Very low	30	Very low	119.2 Å²	119.2	146.2 Å²	146.2	73%	0.731	75%	0.752	S	S	*	*			trans	-161.4	143.3	133.1	22.9	0	0	0	0	113.5	F2020	F2020-T2022 PolarHBondContact O-N 3.49Å
2023	N	27.5	Very low	30.1	Very low	141.8 Å²	141.8	149.7 Å²	149.7	76%	0.758	76%	0.758	S	S	*	*			trans	4.9	134.4	147.1	-79.6	-62	0	0	0	117.4
2024	I	30.9	Very low	30.3	Very low	149.6 Å²	149.6	152.8 Å²	152.8	77%	0.767	76%	0.761	S	S	*	*			trans	-179.7	126.2	139.4	-66.7	169.9	0	0	0	111.9	V2026	I2024-V2026 HydrophobicContact CG2-CG2 3.94Å
2025	R	27.2	Very low	30.4	Very low	226 Å²	226	152 Å²	152	85%	0.853	76%	0.763	S	S	*	*			trans	-110.3	137.7	152.9	-165.8	-177.3	-66.8	-164.9	-0.2	112.5
2026	V	31.6	Very low	30.7	Very low	116.4 Å²	116.4	151.5 Å²	151.5	71%	0.705	77%	0.765	S	S	*	*			trans	-147.3	116.4	165.4	-177.9	0	0	0	0	112.2	I2024 Q2028	I2024-V2026 HydrophobicContact CG2-CG2 3.94Å; V2026-Q2028 HydrophobicContact CG1-CG 3.97Å
2027	D	30	Very low	30.7	Very low	134.2 Å²	134.2	153 Å²	153	72%	0.718	77%	0.767	S	S	*	*			trans	-74.9	133.4	162.2	-137.7	-28.3	0	0	0	114	R2029	D2027-R2029 PolarHBondContact O-N 3.21Å; D2027-R2029 IonicContact OD1-NE 2.77Å; D2027-R2029 IonicContact OD2-NE 2.68Å; D2027-R2029 IonicContact OD2-NH2 2.69Å
2028	Q	33.6	Very low	30.9	Very low	157.8 Å²	157.8	154.5 Å²	154.5	74%	0.737	77%	0.774	S	S	*	*			trans	-130.8	102.5	162.7	-73.3	-179	20.1	0	0	114.4	V2026	V2026-Q2028 HydrophobicContact CG1-CG 3.97Å
2029	R	29.6	Very low	30.7	Very low	212.8 Å²	212.8	153.3 Å²	153.3	80%	0.803	77%	0.771	S	S	*	*			trans	-105.6	122.7	148.1	-66.1	168.7	-169	-165.8	1.6	115.4	D2027	D2027-R2029 PolarHBondContact O-N 3.21Å; D2027-R2029 IonicContact OD1-NE 2.77Å; D2027-R2029 IonicContact OD2-NE 2.68Å; D2027-R2029 IonicContact OD2-NH2 2.69Å
2030	N	30.8	Very low	30.7	Very low	154 Å²	154	154.3 Å²	154.3	82%	0.824	78%	0.777	S	S	*	*			trans	48.7	103.7	144.4	-68.8	-22.1	0	0	0	119.2
2031	K	35.7	Very low	30.7	Very low	191 Å²	191	150.1 Å²	150.1	83%	0.83	77%	0.772	S	S	*	*			trans	-147.7	141.6	136.9	-89.5	179.4	-177.3	173.6	0	111.8
2032	K	31.5	Very low	30.8	Very low	187 Å²	187	150.4 Å²	150.4	81%	0.813	78%	0.775	S	S	*	*			trans	-57.3	147.4	174	-61.7	-177.6	176.5	-174.8	0	112.1	Q2034	K2032-Q2034 PolarHBondContact O-N 3.3Å
2033	F	31.5	Very low	31.1	Very low	191.8 Å²	191.8	149.8 Å²	149.8	84%	0.841	77%	0.773	S	S	*	*			trans	-91.4	123.3	151.8	-90.3	-90.7	0	0	0	110.6	V2035	F2033-V2035 PolarHBondContact O-N 3.35Å
2034	Q	31.6	Very low	31.3	Very low	167.8 Å²	167.8	152.3 Å²	152.3	78%	0.784	78%	0.777	S	S	*	*			trans	-79.8	127.4	148.4	-74.7	-176.2	-42.7	0	0	110.2	K2032 N2036	K2032-Q2034 PolarHBondContact O-N 3.3Å; Q2034-N2036 VanDerWaalsContact C-N 3.26Å; Q2034-N2036 PolarHBondContact O-N 3.32Å; Q2034-N2036 VanDerWaalsContact O-N 3.12Å
2035	V	33	Very low	31.4	Very low	121.8 Å²	121.8	151.2 Å²	151.2	74%	0.738	78%	0.777	S	S	*	*			trans	-111.8	118.4	162.6	171.3	0	0	0	0	108.8	F2033 L2037	F2033-V2035 PolarHBondContact O-N 3.35Å; V2035-L2037 VanDerWaalsContact C-N 3.3Å; V2035-L2037 HydrophobicContact CG1-CG 4.32Å; V2035-L2037 PolarHBondContact O-N 3.35Å
2036	N	29.7	Very low	31.7	Very low	135 Å²	135	145.9 Å²	145.9	72%	0.722	77%	0.772	S	S	*	*			trans	-99.2	120.6	170.8	-99.3	-11.9	0	0	0	112	Q2034 I2038	Q2034-N2036 VanDerWaalsContact C-N 3.26Å; Q2034-N2036 PolarHBondContact O-N 3.32Å; Q2034-N2036 VanDerWaalsContact O-N 3.12Å; N2036-I2038 VanDerWaalsContact C-N 3.31Å; N2036-I2038 HydrophobicContact CB-CG1 4.33Å; N2036-I2038 PolarHBondContact O-N 3.35Å
2037	L	28.7	Very low	31.7	Very low	155.8 Å²	155.8	146.6 Å²	146.6	82%	0.816	78%	0.777	S	S	*	*			trans	-89.5	112.7	171.7	-76.6	161	0	0	0	110	V2035 S2039	V2035-L2037 VanDerWaalsContact C-N 3.3Å; V2035-L2037 HydrophobicContact CG1-CG 4.32Å; V2035-L2037 PolarHBondContact O-N 3.35Å; L2037-S2039 VanDerWaalsContact C-N 3.28Å; L2037-S2039 PolarHBondContact O-N 3.15Å
2038	I	32.2	Very low	31.7	Very low	152.6 Å²	152.6	147.2 Å²	147.2	78%	0.783	78%	0.78	S	S	*	*			trans	-111.1	120.7	153.3	-63.6	174.6	0	0	0	108	N2036 P2040	N2036-I2038 VanDerWaalsContact C-N 3.31Å; N2036-I2038 HydrophobicContact CB-CG1 4.33Å; N2036-I2038 PolarHBondContact O-N 3.35Å; I2038-P2040 WeakPolarHBondContact O-CD 3.15Å
2039	S	27.8	Very low	31.6	Very low	107 Å²	107	145.7 Å²	145.7	75%	0.748	78%	0.781	S	S	*	*			trans	-100.7	135.4	173.6	-56.1	0	0	0	0	109.8	L2037 S2041	L2037-S2039 VanDerWaalsContact C-N 3.28Å; L2037-S2039 PolarHBondContact O-N 3.15Å; S2039-S2041 PolarHBondContact O-N 3.14Å; S2039-S2041 VanDerWaalsContact O-N 3.08Å
2040	P	33.1	Very low	31.5	Very low	120.2 Å²	120.2	139.6 Å²	139.6	78%	0.781	78%	0.777	S	S	*	*			trans	-93	154.2	167.1	32.2	-28	0	0	0	111.4	I2038 S2042	I2038-P2040 WeakPolarHBondContact O-CD 3.15Å; P2040-S2042 PolarHBondContact O-N 3.28Å; P2040-S2042 VanDerWaalsContact O-N 3.09Å
2041	S	31.1	Very low	31.5	Very low	108.6 Å²	108.6	137.5 Å²	137.5	76%	0.759	77%	0.774	S	S	*	*			trans	-89.3	126.1	178.7	54.8	0	0	0	0	113.5	S2039	S2039-S2041 PolarHBondContact O-N 3.14Å; S2039-S2041 VanDerWaalsContact O-N 3.08Å
2042	S	29.9	Very low	31.2	Very low	108 Å²	108	136.6 Å²	136.6	76%	0.755	78%	0.777	S	S	*	*			trans	-51.5	150.9	166.6	108.6	0	0	0	0	114.9	P2040 K2044	P2040-S2042 PolarHBondContact O-N 3.28Å; P2040-S2042 VanDerWaalsContact O-N 3.09Å; S2042-K2044 PolarHBondContact O-N 3.13Å
2043	P	36.1	Very low	31.2	Very low	107.4 Å²	107.4	131 Å²	131	70%	0.697	77%	0.772	S	S	*	*			trans	-114.2	132.8	163	32.4	-24.5	0	0	0	113.5	T2045	P2043-T2045 PolarHBondContact O-N 2.99Å; P2043-T2045 PolarHBondContact O-OG1 3.49Å
2044	K	32.4	Very low	31	Very low	194.2 Å²	194.2	128.5 Å²	128.5	84%	0.844	77%	0.773	S	S	*	*			trans	32.7	110.9	147	-69.9	-179.1	179	-178.4	0	115.6	S2042	S2042-K2044 PolarHBondContact O-N 3.13Å
2045	T	31.4	Very low	30.9	Very low	126.2 Å²	126.2	129 Å²	129	77%	0.774	78%	0.775	S	S	*	*			trans	-130.5	148.1	137.2	21.6	0	0	0	0	114.5	P2043 T2047	P2043-T2045 PolarHBondContact O-N 2.99Å; P2043-T2045 PolarHBondContact O-OG1 3.49Å; T2045-T2047 PolarHBondContact O-N 2.97Å
2046	P	33.7	Very low	30.7	Very low	115.2 Å²	115.2	129.3 Å²	129.3	75%	0.748	78%	0.777	S	S	*	*			trans	-107.9	156.8	-142.2	32.3	-23.1	0	0	0	114	N2048	P2046-N2048 PolarHBondContact O-N 2.84Å
2047	T	31.5	Very low	30.7	Very low	129.4 Å²	129.4	127.8 Å²	127.8	79%	0.794	78%	0.777	S	S	*	*			trans	-114.3	125.1	153.3	-53	0	0	0	0	114.2	T2045 V2049	T2045-T2047 PolarHBondContact O-N 2.97Å; T2047-V2049 HydrophobicContact CG2-CG2 4.24Å
2048	N	30.8	Very low	30.7	Very low	146.8 Å²	146.8	127.5 Å²	127.5	79%	0.785	78%	0.776	S	S	*	*			trans	-118.3	144.4	146.8	-142.2	-11.9	0	0	0	114.1	P2046	P2046-N2048 PolarHBondContact O-N 2.84Å
2049	V	30.9	Very low	30.5	Very low	126.2 Å²	126.2	130.7 Å²	130.7	77%	0.765	78%	0.78	S	S	*	*			trans	-138.1	124.2	157	176.9	0	0	0	0	113.6	T2047	T2047-V2049 HydrophobicContact CG2-CG2 4.24Å
2050	A	28.8	Very low	30.5	Very low	86.4 Å²	86.4	136 Å²	136	71%	0.714	78%	0.784	S	S	*	*			trans	-139.5	130.6	163.9	0	0	0	0	0	115.6
2051	S	29.8	Very low	30.4	Very low	108.8 Å²	108.8	141 Å²	141	76%	0.761	79%	0.789	S	S	*	*			trans	-160.7	131.4	145.8	-70.8	0	0	0	0	113
2052	I	29.6	Very low	30.4	Very low	173 Å²	173	142.9 Å²	142.9	89%	0.887	79%	0.786	S	S	*	*			trans	86.4	123.3	140.5	-62.4	161.6	0	0	0	112.9
2053	G	30.6	Very low	30.3	Very low	68.8 Å²	68.8	145.5 Å²	145.5	71%	0.709	79%	0.791	S	S	*	*			trans	174.8	113.5	162.4	0	0	0	0	0	114.9	Q2055	G2053-Q2055 PolarHBondContact O-N 3.18Å; G2053-Q2055 VanDerWaalsContact O-N 3.16Å
2054	T	28.9	Very low	30	Very low	139.8 Å²	139.8	147 Å²	147	86%	0.858	79%	0.792	S	S	*	*			trans	-98.9	128.2	174.6	32.4	0	0	0	0	111.1
2055	Q	29.4	Very low	29.8	Very low	177 Å²	177	142.9 Å²	142.9	83%	0.827	79%	0.787	S	S	*	*			trans	-148.5	126.9	131.7	-131.4	178	12.7	0	0	114.4	G2053	G2053-Q2055 PolarHBondContact O-N 3.18Å; G2053-Q2055 VanDerWaalsContact O-N 3.16Å
2056	T	27.5	Very low	29.8	Very low	129.8 Å²	129.8	144.2 Å²	144.2	80%	0.796	79%	0.788	S	S	*	*			trans	-128.5	130	160.6	31.5	0	0	0	0	111.3
2057	S	31.1	Very low	29.6	Very low	103.2 Å²	103.2	146.7 Å²	146.7	72%	0.722	79%	0.79	S	S	*	*			trans	-149.2	130.2	148.8	35.6	0	0	0	0	113.8	Y2059	S2057-Y2059 PolarHBondContact O-N 3Å
2058	D	27.5	Very low	29.4	Very low	148.2 Å²	148.2	149.3 Å²	149.3	79%	0.793	79%	0.793	S	S	*	*			trans	-59.5	123.6	174.7	-59.4	-73.2	0	0	0	115	R2060	D2058-R2060 PolarHBondContact O-N 2.82Å; D2058-R2060 VanDerWaalsContact O-N 3.13Å
2059	Y	29.3	Very low	29.4	Very low	220.2 Å²	220.2	147.7 Å²	147.7	86%	0.864	79%	0.788	S	S	*	*			trans	-121.9	109.2	153.7	-84.6	-81.1	0	0	0	110.4	S2057 Y2061	S2057-Y2059 PolarHBondContact O-N 3Å; Y2059-Y2061 PolarHBondContact O-N 2.91Å
2060	R	27.5	Very low	29.5	Very low	219.4 Å²	219.4	147.7 Å²	147.7	83%	0.828	78%	0.784	S	S	*	*			trans	-78.3	117.3	172	-107.7	-177.1	-177.3	180	0.6	109.6	D2058 Q2062	D2058-R2060 PolarHBondContact O-N 2.82Å; D2058-R2060 VanDerWaalsContact O-N 3.13Å; R2060-Q2062 HydrophobicContact CG-CG 4.25Å; R2060-Q2062 PolarHBondContact O-N 3.11Å; R2060-Q2062 VanDerWaalsContact O-N 3.13Å
2061	Y	29.6	Very low	29.6	Very low	224.4 Å²	224.4	151.6 Å²	151.6	88%	0.88	79%	0.785	S	S	*	*			trans	-76	133.1	155.8	-107.4	-97.9	0	0	0	108.9	Y2059	Y2059-Y2061 PolarHBondContact O-N 2.91Å
2062	Q	32.6	Very low	29.6	Very low	149 Å²	149	152.6 Å²	152.6	70%	0.696	79%	0.786	S	S	*	*			trans	-97.5	135.7	174.2	-64.7	179.8	-15.8	0	0	108.6	R2060 I2064	R2060-Q2062 HydrophobicContact CG-CG 4.25Å; R2060-Q2062 PolarHBondContact O-N 3.11Å; R2060-Q2062 VanDerWaalsContact O-N 3.13Å; Q2062-I2064 VanDerWaalsContact C-N 3.34Å; Q2062-I2064 HydrophobicContact CB-CG1 4.44Å; Q2062-I2064 PolarHBondContact O-N 3.11Å; Q2062-I2064 VanDerWaalsContact O-N 3.11Å
2063	D	27.2	Very low	29.7	Very low	161.6 Å²	161.6	150.2 Å²	150.2	86%	0.864	78%	0.78	S	S	*	*			trans	-65.6	107.4	168.6	-65.4	-62.6	0	0	0	109.4	S2065	D2063-S2065 VanDerWaalsContact C-N 3.31Å; D2063-S2065 PolarHBondContact O-N 2.76Å
2064	I	30.6	Very low	29.6	Very low	139.4 Å²	139.4	153.3 Å²	153.3	72%	0.715	78%	0.784	S	S	*	*			trans	-91.7	90.3	174.3	-60	178.8	0	0	0	108.1	Q2062 I2066	Q2062-I2064 VanDerWaalsContact C-N 3.34Å; Q2062-I2064 HydrophobicContact CB-CG1 4.44Å; Q2062-I2064 PolarHBondContact O-N 3.11Å; Q2062-I2064 VanDerWaalsContact O-N 3.11Å; I2064-I2066 HydrophobicContact CG2-CD1 3.79Å; I2064-I2066 HydrophobicContact CG2-CG1 3.87Å; I2064-I2066 PolarHBondContact O-N 3.09Å
2065	S	27.5	Very low	29.7	Very low	107.8 Å²	107.8	151.5 Å²	151.5	75%	0.754	78%	0.778	S	S	*	*			trans	-69.9	113.7	166.9	-20.2	0	0	0	0	109.3	D2063 E2067	D2063-S2065 VanDerWaalsContact C-N 3.31Å; D2063-S2065 PolarHBondContact O-N 2.76Å; S2065-E2067 PolarHBondContact O-N 3.15Å
2066	I	30.7	Very low	29.6	Very low	154.8 Å²	154.8	147.8 Å²	147.8	79%	0.794	77%	0.772	S	S	*	*			trans	-98.5	108.7	169.3	-60.4	178.7	0	0	0	108.1	I2064 Q2068	I2064-I2066 HydrophobicContact CG2-CD1 3.79Å; I2064-I2066 HydrophobicContact CG2-CG1 3.87Å; I2064-I2066 PolarHBondContact O-N 3.09Å; I2066-Q2068 PolarHBondContact O-N 3.23Å
2067	E	29.3	Very low	29.8	Very low	166.6 Å²	166.6	147.9 Å²	147.9	78%	0.779	77%	0.772	S	S	*	*			trans	-74.3	143.6	172.3	-62.1	-176.9	127	0	0	111	S2065 V2069	S2065-E2067 PolarHBondContact O-N 3.15Å; E2067-V2069 VanDerWaalsContact C-N 3.29Å; E2067-V2069 HydrophobicContact CB-CG2 4.19Å; E2067-V2069 PolarHBondContact O-N 3.21Å
2068	Q	27.9	Very low	29.7	Very low	183.2 Å²	183.2	149.4 Å²	149.4	86%	0.856	77%	0.772	S	S	*	*			trans	-84.7	116.8	150.5	-87.4	-176.3	-76.6	0	0	112.2	I2066 D2070	I2066-Q2068 PolarHBondContact O-N 3.23Å; Q2068-D2070 VanDerWaalsContact C-N 3.26Å; Q2068-D2070 PolarHBondContact O-N 3.22Å; Q2068-D2070 VanDerWaalsContact O-N 3.13Å
2069	V	31.6	Very low	29.7	Very low	113.2 Å²	113.2	146.4 Å²	146.4	69%	0.686	77%	0.767	S	S	*	*			trans	-55.9	102.5	163.4	-175.5	0	0	0	0	112.5	E2067 K2071	E2067-V2069 VanDerWaalsContact C-N 3.29Å; E2067-V2069 HydrophobicContact CB-CG2 4.19Å; E2067-V2069 PolarHBondContact O-N 3.21Å; V2069-K2071 VanDerWaalsContact C-N 3.29Å; V2069-K2071 HydrophobicContact CG1-CB 4.1Å; V2069-K2071 HydrophobicContact CG1-CD 4.05Å; V2069-K2071 HydrophobicContact CG1-CG 3.95Å; V2069-K2071 PolarHBondContact O-N 3.39Å
2070	D	31.7	Very low	29.7	Very low	126.2 Å²	126.2	146.2 Å²	146.2	68%	0.675	77%	0.767	S	S	*	*			trans	-145.2	136.1	142.6	-105.2	-26.5	0	0	0	111.7	Q2068	Q2068-D2070 VanDerWaalsContact C-N 3.26Å; Q2068-D2070 PolarHBondContact O-N 3.22Å; Q2068-D2070 VanDerWaalsContact O-N 3.13Å
2071	K	30.9	Very low	29.6	Very low	170 Å²	170	143.6 Å²	143.6	74%	0.739	77%	0.766	S	S	*	*			trans	-125.3	124.3	153.3	-82.4	158	-174.5	149.7	0	113.2	V2069 T2073	V2069-K2071 VanDerWaalsContact C-N 3.29Å; V2069-K2071 HydrophobicContact CG1-CB 4.1Å; V2069-K2071 HydrophobicContact CG1-CD 4.05Å; V2069-K2071 HydrophobicContact CG1-CG 3.95Å; V2069-K2071 PolarHBondContact O-N 3.39Å; K2071-T2073 PolarHBondContact O-N 2.58Å; K2071-T2073 PolarHBondContact O-OG1 2.95Å
2072	T	31	Very low	29.7	Very low	128.8 Å²	128.8	138.9 Å²	138.9	79%	0.79	76%	0.76	S	S	*	*			trans	-66.8	125.4	136	-37.2	0	0	0	0	111.4	V2074	T2072-V2074 HydrophobicContact CG2-CG2 4.12Å
2073	T	30.6	Very low	29.4	Very low	122.2 Å²	122.2	139.1 Å²	139.1	75%	0.75	76%	0.761	S	S	*	*			trans	-125	122.6	138.1	-13.8	0	0	0	0	111.6	K2071 S2075	K2071-T2073 PolarHBondContact O-N 2.58Å; K2071-T2073 PolarHBondContact O-OG1 2.95Å; T2073-S2075 PolarHBondContact O-N 3.14Å
2074	V	29.8	Very low	29.7	Very low	133.6 Å²	133.6	138.1 Å²	138.1	81%	0.81	76%	0.755	S	S	*	*			trans	-70.7	130.5	143.8	-177.2	0	0	0	0	112.2	T2072	T2072-V2074 HydrophobicContact CG2-CG2 4.12Å
2075	S	30.1	Very low	29.5	Very low	102 Å²	102	135.3 Å²	135.3	71%	0.713	75%	0.748	S	S	*	*			trans	-128	148.1	166	60.4	0	0	0	0	115.7	T2073	T2073-S2075 PolarHBondContact O-N 3.14Å
2076	S	28	Very low	29.6	Very low	100 Å²	100	136 Å²	136	70%	0.699	75%	0.747	S	S	*	*			trans	-74.7	141.6	165.1	69.6	0	0	0	0	113.2	D2078	S2076-D2078 VanDerWaalsContact CB-OD2 3.27Å; S2076-D2078 WeakPolarHBondContact CB-OD2 3.36Å; S2076-D2078 VanDerWaalsContact OG-CG 3.27Å; S2076-D2078 PolarHBondContact OG-N 2.73Å; S2076-D2078 PolarHBondContact OG-OD2 2.73Å
2077	V	31.4	Very low	29.6	Very low	132.4 Å²	132.4	132.8 Å²	132.8	80%	0.802	74%	0.739	S	S	*	*			trans	-150.8	123.4	150	-178.8	0	0	0	0	109.1	A2079	V2077-A2079 PolarHBondContact O-N 3.07Å
2078	D	29.5	Very low	29.5	Very low	135.2 Å²	135.2	131.5 Å²	131.5	72%	0.723	74%	0.738	S	S	*	*			trans	-74.4	143.6	153.3	-71.7	-69.1	0	0	0	113.3	S2076	S2076-D2078 VanDerWaalsContact CB-OD2 3.27Å; S2076-D2078 WeakPolarHBondContact CB-OD2 3.36Å; S2076-D2078 VanDerWaalsContact OG-CG 3.27Å; S2076-D2078 PolarHBondContact OG-N 2.73Å; S2076-D2078 PolarHBondContact OG-OD2 2.73Å
2079	A	26.1	Very low	29.7	Very low	84 Å²	84	128.9 Å²	128.9	69%	0.694	73%	0.733	S	S	*	*			trans	-157.5	120.2	157.1	0	0	0	0	0	114	V2077	V2077-A2079 PolarHBondContact O-N 3.07Å
2080	Y	29.2	Very low	29.5	Very low	217 Å²	217	129.3 Å²	129.3	85%	0.851	74%	0.737	S	S	*	*			trans	-138.3	113.3	145.6	-80.1	-82.1	0	0	0	112.7	V2082	Y2080-V2082 VanDerWaalsContact C-N 3.35Å; Y2080-V2082 HydrophobicContact CD1-CG2 3.77Å; Y2080-V2082 HydrophobicContact CG-CG2 4.38Å; Y2080-V2082 PolarHBondContact O-N 2.96Å
2081	M	26.5	Very low	29.4	Very low	164.2 Å²	164.2	128.6 Å²	128.6	81%	0.809	74%	0.742	S	S	*	*			trans	-79.6	126.5	159.8	-86.4	-161.6	29.1	0	0	109.9	H2083	M2081-H2083 PolarHBondContact O-N 3.44Å
2082	V	30.8	Very low	29.2	Very low	125 Å²	125	126.5 Å²	126.5	76%	0.758	74%	0.743	S	S	*	*			trans	-116.7	110.4	158	179.5	0	0	0	0	108.1	Y2080 D2084	Y2080-V2082 VanDerWaalsContact C-N 3.35Å; Y2080-V2082 HydrophobicContact CD1-CG2 3.77Å; Y2080-V2082 HydrophobicContact CG-CG2 4.38Å; Y2080-V2082 PolarHBondContact O-N 2.96Å; V2082-D2084 VanDerWaalsContact C-N 3.25Å; V2082-D2084 HydrophobicContact CG1-CB 4.46Å; V2082-D2084 PolarHBondContact O-N 3.47Å
2083	H	27.8	Very low	29.2	Very low	154 Å²	154	125.5 Å²	125.5	71%	0.713	74%	0.741	S	S	*	*			trans	-75.3	124.4	164	-109	-96.6	0	0	0	108.9	M2081 S2085	M2081-H2083 PolarHBondContact O-N 3.44Å; H2083-S2085 PolarHBondContact O-N 3.2Å
2084	D	31.8	Very low	29.1	Very low	139.6 Å²	139.6	128.5 Å²	128.5	75%	0.747	75%	0.747	S	S	*	*			trans	-139.2	131.3	153	-123.6	-19.2	0	0	0	111.5	V2082 K2246 T2247	V2082-D2084 VanDerWaalsContact C-N 3.25Å; V2082-D2084 HydrophobicContact CG1-CB 4.46Å; V2082-D2084 PolarHBondContact O-N 3.47Å; D2084-K2246 VanDerWaalsContact C-CG 3.5Å; D2084-K2246 HydrophobicContact CB-CB 4.48Å; D2084-K2246 HydrophobicContact CB-CG 4.26Å; D2084-K2246 VanDerWaalsContact O-CG 3.31Å; D2084-K2246 WeakPolarHBondContact O-CG 3.18Å; D2084-K2246 VanDerWaalsContact OD1-CA 3.3Å; D2084-K2246 WeakPolarHBondContact OD1-CA 3.03Å; D2084-K2246 PolarHBondContact OD1-N 3Å; D2084-K2246 VanDerWaalsContact OD2-CA 3.24Å; D2084-K2246 WeakPolarHBondContact OD2-CA 3.01Å; D2084-T2247 PolarHBondContact OD2-N 3.24Å
2085	S	27.7	Very low	29.1	Very low	82.4 Å²	82.4	126.7 Å²	126.7	58%	0.576	75%	0.746	S	S	*	*			trans	-111.4	144.4	-175.7	-42.7	0	0	0	0	111.4	H2083 D2244 K2245 K2246	H2083-S2085 PolarHBondContact O-N 3.2Å; S2085-D2244 PolarHBondContact OG-OD1 3.48Å; S2085-K2245 CarbonylContact O-C 3.54Å; S2085-K2245 WeakPolarHBondContact O-CA 3.42Å; S2085-K2245 WeakPolarHBondContact O-CB 3.43Å; S2085-K2245 WeakPolarHBondContact O-CG 3.38Å; S2085-K2246 WeakPolarHBondContact O-CB 3.27Å; S2085-K2246 PolarHBondContact O-N 3.5Å
2086	V	30.3	Very low	29	Very low	120.8 Å²	120.8	129.3 Å²	129.3	73%	0.732	75%	0.75	S	S	*	*			trans	166.4	128.5	156.6	168.9	0	0	0	0	112.3	K2245 K2246	V2086-K2245 HydrophobicContact CG2-CB 3.8Å; V2086-K2245 HydrophobicContact CG2-CD 4.22Å; V2086-K2245 HydrophobicContact CG2-CG 3.7Å; V2086-K2246 HydrophobicContact CB-CB 3.36Å; V2086-K2246 HydrophobicContact CB-CD 3.78Å; V2086-K2246 HydrophobicContact CB-CG 3.99Å; V2086-K2246 HydrophobicContact CG2-CB 3.57Å; V2086-K2246 VanDerWaalsContact N-CE 3.35Å; V2086-K2246 PolarHBondContact O-NZ 2.75Å
2087	S	29.6	Very low	29.2	Very low	87.8 Å²	87.8	130.1 Å²	130.1	61%	0.614	75%	0.753	S	S	*	*			trans	-85.1	140.2	160.2	57	0	0	0	0	115.3	V2089	S2087-V2089 PolarHBondContact O-N 3.35Å
2088	N	28.1	Very low	29.1	Very low	140.4 Å²	140.4	133.2 Å²	133.2	75%	0.751	76%	0.755	S	S	*	*			trans	-118.7	131.7	135.3	-76.6	-43.1	0	0	0	112.7	T2090 L2230 K2231	N2088-T2090 PolarHBondContact O-N 3.29Å; N2088-L2230 VanDerWaalsContact OD1-CD2 3.31Å; N2088-L2230 WeakPolarHBondContact OD1-CD2 3.33Å; N2088-K2231 HydrophobicContact CB-CD 4.45Å; N2088-K2231 HydrophobicContact CB-CG 3.98Å; N2088-K2231 WeakPolarHBondContact OD1-CE 3.48Å
2089	V	30.7	Very low	29.1	Very low	127.2 Å²	127.2	134.2 Å²	134.2	77%	0.771	76%	0.759	S	S	*	*			trans	-120.5	128.5	149.8	178.2	0	0	0	0	110.3	S2087 S2091	S2087-V2089 PolarHBondContact O-N 3.35Å; V2089-S2091 WeakPolarHBondContact CG1-OG 3.48Å; V2089-S2091 PolarHBondContact O-N 2.76Å
2090	T	27.6	Very low	29.3	Very low	122.6 Å²	122.6	138.1 Å²	138.1	75%	0.752	76%	0.76	S	S	*	*			trans	-99.9	126.5	165.7	-58.1	0	0	0	0	109.9	N2088 K2231	N2088-T2090 PolarHBondContact O-N 3.29Å; T2090-K2231 PolarHBondContact OG1-NZ 3.24Å
2091	S	30.1	Very low	29.3	Very low	111.2 Å²	111.2	134.7 Å²	134.7	78%	0.778	76%	0.755	S	S	*	*			trans	-129.7	130.9	169	-79.8	0	0	0	0	111.8	V2089	V2089-S2091 WeakPolarHBondContact CG1-OG 3.48Å; V2089-S2091 PolarHBondContact O-N 2.76Å
2092	T	27.1	Very low	29.6	Very low	127 Å²	127	133 Å²	133	78%	0.779	75%	0.75	S	S	*	*			trans	-104.2	135.5	-179.7	-22.9	0	0	0	0	111.7
2093	S	30.2	Very low	29.6	Very low	106.2 Å²	106.2	134.5 Å²	134.5	74%	0.743	75%	0.748	S	S	*	*			trans	-163	146.6	157	46.8	0	0	0	0	111.2
2094	Q	28.7	Very low	29.7	Very low	186.8 Å²	186.8	134.2 Å²	134.2	87%	0.873	75%	0.747	S	S	*	*			trans	71	113.6	134.5	-62.1	176.3	-9.1	0	0	115.1
2095	A	29.3	Very low	29.7	Very low	94.2 Å²	94.2	132.6 Å²	132.6	78%	0.779	75%	0.746	S	S	*	*				-177.9	125.7	98.1	0	0	0	0	0	112.9
2096	I	29	Very low	29.7	Very low	156.8 Å²	156.8	136.6 Å²	136.6	80%	0.804	76%	0.756	S	S	*	*			trans	-156.1	130.6	148	-62.4	173.9	0	0	0	111.4	K2098	I2096-K2098 HydrophobicContact CG2-CG 4.05Å
2097	P	32.1	Very low	29.7	Very low	117 Å²	117	137.1 Å²	137.1	76%	0.76	76%	0.759	S	S	*	*			trans	-97.5	150.4	178.2	9	4.9	0	0	0	113.5	I2099	P2097-I2099 PolarHBondContact O-N 3.09Å
2098	K	28	Very low	29.7	Very low	197.6 Å²	197.6	142 Å²	142	86%	0.859	77%	0.769	S	S	*	*			trans	-112.3	120.8	165.3	-72.3	173.2	-179.8	177.5	0	110.7	I2096	I2096-K2098 HydrophobicContact CG2-CG 4.05Å
2099	I	30	Very low	29.8	Very low	157 Å²	157	142.4 Å²	142.4	81%	0.805	77%	0.769	S	S	*	*			trans	-98.3	138	147.2	-59.9	173.6	0	0	0	109.3	P2097 I2101	P2097-I2099 PolarHBondContact O-N 3.09Å; I2099-I2101 HydrophobicContact CG2-CD1 4.09Å; I2099-I2101 HydrophobicContact CG2-CG1 4.05Å
2100	K	30.1	Very low	29.9	Very low	164.8 Å²	164.8	141.8 Å²	141.8	72%	0.717	77%	0.766	S	S	*	*			trans	-135.8	141.7	176.4	-103.5	-169.1	173.2	-166.5	0	111.7	D2102	K2100-D2102 IonicContact NZ-OD1 2.79Å
2101	I	30.6	Very low	30.1	Very low	145.4 Å²	145.4	141.2 Å²	141.2	75%	0.746	76%	0.764	S	S	*	*			trans	-101.5	144.5	166.4	-61.6	166.5	0	0	0	108.5	I2099 Q2103	I2099-I2101 HydrophobicContact CG2-CD1 4.09Å; I2099-I2101 HydrophobicContact CG2-CG1 4.05Å; I2101-Q2103 PolarHBondContact O-N 3.38Å
2102	D	31.6	Very low	30.1	Very low	129.6 Å²	129.6	142.8 Å²	142.8	69%	0.693	76%	0.76	S	S	*	*			trans	-135.2	155.6	161.2	-103.6	-39.5	0	0	0	112.5	K2100 E2104	K2100-D2102 IonicContact NZ-OD1 2.79Å; D2102-E2104 PolarHBondContact O-N 3.31Å
2103	Q	31.3	Very low	30.4	Very low	155.4 Å²	155.4	143.7 Å²	143.7	73%	0.726	76%	0.755	S	S	*	*			trans	-115.1	155.9	-177.5	-79.2	178.1	-13	0	0	114.9	I2101 K2213	I2101-Q2103 PolarHBondContact O-N 3.38Å; Q2103-K2213 PolarHBondContact O-NZ 3.23Å
2104	E	30.7	Very low	30.4	Very low	148 Å²	148	147.5 Å²	147.5	69%	0.692	75%	0.754	S	S	*	*			trans	-168.5	132.5	172.1	-153.4	175.1	-174.7	0	0	115	D2102 Q2106 C2212 K2213	D2102-E2104 PolarHBondContact O-N 3.31Å; E2104-Q2106 HydrophobicContact CG-CG 4.2Å; E2104-Q2106 WeakPolarHBondContact OE1-CG 3.29Å; E2104-Q2106 PolarHBondContact OE1-NE2 2.96Å; E2104-C2212 PolarHBondContact O-SG 3.17Å; E2104-K2213 HydrophobicContact CG-CB 4.18Å; E2104-K2213 HydrophobicContact CG-CD 3.84Å
2105	C	30.3	Very low	30.5	Very low	107 Å²	107	145.9 Å²	145.9	72%	0.723	75%	0.747	S	S	*	*			trans	-169.1	112.2	143.8	-97.6	0	0	0	0	112.7	V2107 C2212 K2213	C2105-V2107 PolarHBondContact O-N 2.81Å; C2105-C2212 VanDerWaalsContact C-CB 3.43Å; C2105-C2212 PolarHBondContact N-SG 3.31Å; C2105-C2212 VanDerWaalsContact N-SG 3.35Å; C2105-K2213 WeakPolarHBondContact CA-O 3.42Å; C2105-K2213 PolarHBondContact SG-O 3.28Å
2106	Q	28.8	Very low	30.6	Very low	165.4 Å²	165.4	149.6 Å²	149.6	77%	0.773	75%	0.745	S	S	*	*			trans	-86.8	130.4	152	-60.5	-176.6	28.4	0	0	113.2	E2104 C2212	E2104-Q2106 HydrophobicContact CG-CG 4.2Å; E2104-Q2106 WeakPolarHBondContact OE1-CG 3.29Å; E2104-Q2106 PolarHBondContact OE1-NE2 2.96Å; Q2106-C2212 CarbonylContact C-O 3.55Å; Q2106-C2212 PolarHBondContact O-N 2.79Å
2107	V	30.9	Very low	30.7	Very low	131.4 Å²	131.4	150.5 Å²	150.5	80%	0.796	74%	0.744	S	S	*	*			trans	-117.5	114	154.8	-178.4	0	0	0	0	111.9	C2105 I2109	C2105-V2107 PolarHBondContact O-N 2.81Å; V2107-I2109 HydrophobicContact CG1-CG1 4.21Å; V2107-I2109 PolarHBondContact O-N 2.92Å
2108	K	28.1	Very low	30.5	Very low	190.8 Å²	190.8	152 Å²	152	83%	0.83	74%	0.744	S	S	*	*			trans	-118.2	122.2	162.4	-158.6	178	-179.9	178.1	0	113.8
2109	I	30.9	Very low	30.6	Very low	148 Å²	148	150.3 Å²	150.3	76%	0.759	74%	0.74	S	S	*	*			trans	-85.4	134.7	173	-54.6	172.5	0	0	0	111.9	V2107 P2111	V2107-I2109 HydrophobicContact CG1-CG1 4.21Å; V2107-I2109 PolarHBondContact O-N 2.92Å; I2109-P2111 HydrophobicContact CG2-CG 4.44Å
2110	T	31.9	Very low	30.5	Very low	115.2 Å²	115.2	148.5 Å²	148.5	71%	0.707	74%	0.74	S	S	*	*			trans	-154.2	135.4	160	-23.3	0	0	0	0	111.7	Q2112	T2110-Q2112 HydrophobicContact CG2-CG 4.16Å
2111	P	31.6	Very low	30.5	Very low	109.8 Å²	109.8	143.9 Å²	143.9	71%	0.713	74%	0.739	S	S	*	*			trans	-113.7	150.7	177.8	38.1	-28.9	0	0	0	113	I2109	I2109-P2111 HydrophobicContact CG2-CG 4.44Å
2112	Q	32	Very low	30.7	Very low	146.2 Å²	146.2	142.4 Å²	142.4	68%	0.683	74%	0.739	S	S	*	*			trans	164.3	142.9	152.8	-88.1	-177.3	13.3	0	0	113	D1896 T2110	D1896-Q2112 PolarHBondContact OD1-NE2 2.98Å; D1896-Q2112 PolarHBondContact OD2-NE2 3.1Å; T2110-Q2112 HydrophobicContact CG2-CG 4.16Å
2113	Q	32	Very low	30.6	Very low	146 Å²	146	140.9 Å²	140.9	68%	0.682	74%	0.738	S	S	*	*			cis	-168.2	147.5	21.7	-105	-179.6	-22.9	0	0	113.8
2114	Y	30.1	Very low	30.6	Very low	184.2 Å²	184.2	142.2 Å²	142.2	72%	0.722	74%	0.742	S	S	*	*			trans	169.9	127.8	131.1	-94.2	-96.3	0	0	0	115.8
2115	Q	31.1	Very low	30.6	Very low	154.6 Å²	154.6	139.4 Å²	139.4	72%	0.722	74%	0.739	S	S	*	*				159.2	143.9	115.4	-90.2	177.6	32.5	0	0	114.4	K2117	Q2115-K2117 PolarHBondContact O-N 2.89Å
2116	K	32.3	Very low	30.7	Very low	170.8 Å²	170.8	139.4 Å²	139.4	74%	0.743	74%	0.736	S	S	*	*				-154.4	129	109.2	-118	169	-177.2	171.5	0	109.8
2117	K	29.9	Very low	30.7	Very low	176.6 Å²	176.6	137.3 Å²	137.3	77%	0.768	73%	0.729	S	S	*	*			trans	152.5	136.5	139.2	-84.3	173.7	179.3	177.8	0	114	Q2115	Q2115-K2117 PolarHBondContact O-N 2.89Å
2118	L	28.6	Very low	30.7	Very low	147.2 Å²	147.2	138.6 Å²	138.6	77%	0.771	72%	0.724	S	S	*	*			trans	113.1	131.1	144.7	-67.4	162.8	0	0	0	111.2
2119	Q	30.7	Very low	30.9	Very low	162.8 Å²	162.8	135.2 Å²	135.2	76%	0.761	72%	0.715	S	S	*	*			cis	174.1	161.2	23.6	-160.5	160.7	-14.2	0	0	112.4
2120	C	26.2	Very low	31	Very low	119 Å²	119	133.9 Å²	133.9	80%	0.804	71%	0.714	S	S	*	*			trans	-153.7	133.7	-166.3	-104.5	0	0	0	0	115.1
2121	G	30.9	Very low	31	Very low	69.2 Å²	69.2	133.3 Å²	133.3	71%	0.713	71%	0.714	S	S	*	*			trans	100.9	144.9	145	0	0	0	0	0	115.9
2122	P	35.7	Very low	31	Very low	114 Å²	114	132.7 Å²	132.7	74%	0.74	71%	0.713	S	S	*	*			cis	-121.5	164.9	27.5	33.1	-18.7	0	0	0	115.2	F2124	P2122-F2124 HydrophobicContact CB-CE2 4.48Å
2123	S	29.1	Very low	31.1	Very low	96.4 Å²	96.4	134.1 Å²	134.1	67%	0.674	72%	0.719	S	S	*	*			trans	70.7	145.9	135.3	-42.3	0	0	0	0	118.8
2124	F	30.8	Very low	31	Very low	183.2 Å²	183.2	132.6 Å²	132.6	80%	0.804	72%	0.72	S	S	*	*				121.6	140.1	111.3	-72.7	-74.2	0	0	0	117.9	S1293 P2122	S1293-F2124 WeakPolarHBondContact CB-O 3.07Å; P2122-F2124 HydrophobicContact CB-CE2 4.48Å
2125	S	31.2	Very low	31.2	Very low	89 Å²	89	129.5 Å²	129.5	62%	0.622	72%	0.715	S	S	*	*				56.1	141.3	125.6	67.2	0	0	0	0	118.1	S1293 V1294	S1293-S2125 VanDerWaalsContact CA-O 3.3Å; S1293-S2125 WeakPolarHBondContact CA-O 3.32Å; S1293-S2125 WeakPolarHBondContact CB-O 3.02Å; V1294-S2125 PolarHBondContact N-O 3.45Å; V1294-S2125 PolarHBondContact O-OG 3.33Å
2126	T	31.1	Very low	31.2	Very low	108.4 Å²	108.4	128.9 Å²	128.9	67%	0.665	71%	0.712	S	S	*	*				155.1	143.4	50.5	15.8	0	0	0	0	115	V1294	V1294-T2126 PolarHBondContact N-O 3.21Å; V1294-T2126 PolarHBondContact O-OG1 3.37Å
2127	L	30.2	Very low	31.2	Very low	121.2 Å²	121.2	125.9 Å²	125.9	64%	0.635	70%	0.704	S	S	*	*			trans	57	135.9	139.3	-64.9	139.1	0	0	0	118	S1369 V1370 E1371	S1369-L2127 VanDerWaalsContact O-CD2 3.22Å; S1369-L2127 WeakPolarHBondContact O-CD2 3.29Å; S1369-L2127 WeakPolarHBondContact O-CG 3.26Å; S1369-L2127 WeakPolarHBondContact OG-CD1 3.33Å; S1369-L2127 VanDerWaalsContact OG-CG 3.31Å; S1369-L2127 WeakPolarHBondContact OG-CG 3.15Å; V1370-L2127 VanDerWaalsContact O-CD2 3.29Å; V1370-L2127 WeakPolarHBondContact O-CD2 3.39Å; E1371-L2127 HydrophobicContact CB-CB 4.24Å; E1371-L2127 HydrophobicContact CB-CD2 3.33Å; E1371-L2127 HydrophobicContact CB-CG 4.4Å; E1371-L2127 HydrophobicContact CG-CB 4.26Å; E1371-L2127 HydrophobicContact CG-CD2 3.85Å; E1371-L2127 VanDerWaalsContact N-CD2 3.31Å
2128	K	31.2	Very low	31.4	Very low	159 Å²	159	122.2 Å²	122.2	69%	0.691	70%	0.701	S	S	*	*				150.1	139.9	96.7	-87.5	171.3	177.5	171	0	113.1	E1371	E1371-K2128 HydrophobicContact CB-CD 4.28Å; E1371-K2128 VanDerWaalsContact CB-CE 3.45Å; E1371-K2128 HydrophobicContact CB-CG 4.3Å; E1371-K2128 VanDerWaalsContact O-CE 3.31Å; E1371-K2128 WeakPolarHBondContact O-CE 3.3Å; E1371-K2128 PolarHBondContact O-NZ 2.83Å; E1371-K2128 WeakPolarHBondContact OE2-CD 3.31Å; E1371-K2128 WeakPolarHBondContact OE2-CE 3.27Å; E1371-K2128 IonicContact OE2-NZ 2.77Å; E1371-K2128 PolarHBondContact OE2-NZ 3.36Å
2129	N	32.1	Very low	31.5	Very low	119.2 Å²	119.2	120.1 Å²	120.1	64%	0.637	70%	0.697	S	S	*	*			cis	123.6	133.2	48.9	-115.4	24.4	0	0	0	114	Q1368	Q1368-N2129 HydrophobicContact CG-CB 4.48Å; Q1368-N2129 PolarHBondContact NE2-OD1 3.33Å; Q1368-N2129 PolarHBondContact OE1-OD1 2.94Å
2130	T	32.5	Very low	31.5	Very low	119.8 Å²	119.8	118.7 Å²	118.7	74%	0.735	69%	0.694	S	S	*	*			trans	65.2	134.7	148	5.1	0	0	0	0	114.9
2131	S	31.7	Very low	31.7	Very low	102.6 Å²	102.6	122.1 Å²	122.1	72%	0.717	69%	0.69	S	S	*	*				122.5	144.4	80	174.2	0	0	0	0	115.1
2132	S	31.1	Very low	31.7	Very low	96.8 Å²	96.8	123.7 Å²	123.7	68%	0.677	68%	0.682	S	S	*	*				1.7	151.1	100	-45.7	0	0	0	0	114.9
2133	Q	34	Very low	31.6	Very low	176.4 Å²	176.4	124.6 Å²	124.6	82%	0.824	68%	0.676	S	S	*	*				157.8	143.2	97.8	-99.9	162.4	-4.3	0	0	113.2
2134	T	30.2	Very low	31.6	Very low	114.6 Å²	114.6	127 Å²	127	70%	0.703	68%	0.677	S	S	*	*				92.5	144	75.9	-47.5	0	0	0	0	114.4
2135	I	33.7	Very low	31.5	Very low	118.4 Å²	118.4	128.5 Å²	128.5	61%	0.607	68%	0.677	S	S	*	*				117.3	134.1	124	-80	170.8	0	0	0	113.4
2136	Q	31.8	Very low	31.4	Very low	141.6 Å²	141.6	129.8 Å²	129.8	66%	0.662	68%	0.682	S	S	*	*				46.7	145.7	125.8	-68.7	178.6	-71.9	0	0	118.4
2137	D	32.5	Very low	31.2	Very low	108.4 Å²	108.4	129.1 Å²	129.1	58%	0.58	68%	0.682	S	S	*	*			cis	-175.5	162.6	11.9	-117.5	-38.7	0	0	0	113.2	C2139	D2137-C2139 PolarHBondContact OD1-SG 3.33Å
2138	S	33.5	Very low	31.2	Very low	98.4 Å²	98.4	131.1 Å²	131.1	69%	0.688	69%	0.692	S	S	*	*			trans	61.6	135.5	141	70.8	0	0	0	0	119.3
2139	C	30.5	Very low	31.2	Very low	102.8 Å²	102.8	128.4 Å²	128.4	70%	0.695	69%	0.693	S	S	*	*				65.2	145.1	101.5	-69.1	0	0	0	0	115.8	D2137	D2137-C2139 PolarHBondContact OD1-SG 3.33Å
2140	L	30.9	Very low	31.1	Very low	135 Å²	135	127.7 Å²	127.7	71%	0.707	70%	0.697	S	S	*	*			cis	-178	157.2	40.3	-111.3	171.3	0	0	0	113.8
2141	R	31.9	Very low	31.1	Very low	189.8 Å²	189.8	126.7 Å²	126.7	72%	0.716	70%	0.695	S	S	*	*			trans	64.8	145	159.5	-93.3	-174.2	-121.7	-135.5	1.6	117.1
2142	D	30.8	Very low	31	Very low	101.8 Å²	101.8	129.7 Å²	129.7	54%	0.544	70%	0.701	S	S	.	*				112.6	151	80.4	-88.4	-36	0	0	0	116.7
2143	H	31.9	Very low	31.1	Very low	133.2 Å²	133.2	128.4 Å²	128.4	62%	0.617	70%	0.703	S	S	*	*				107.2	122	100.5	-94.4	44.2	0	0	0	115.9
2144	Q	29.5	Very low	31	Very low	148.2 Å²	148.2	126 Å²	126	69%	0.693	70%	0.7	S	S	*	*			trans	62.1	131.6	130.4	-61.2	-176.9	32	0	0	118.4
2145	R	28.5	Very low	30.9	Very low	213 Å²	213	128.6 Å²	128.6	80%	0.804	71%	0.705	S	S	*	*				162.6	134	61.2	-139.1	-177.7	-158.7	-158.3	3.9	112.6
2146	T	29.2	Very low	30.7	Very low	117.4 Å²	117.4	128.6 Å²	128.6	72%	0.72	71%	0.71	S	S	*	*			trans	48.7	141.8	141.6	18.2	0	0	0	0	116.2
2147	S	28.5	Very low	30.6	Very low	94.4 Å²	94.4	126.1 Å²	126.1	66%	0.66	71%	0.708	S	S	*	*				148.1	154.9	76.9	8.3	0	0	0	0	113.7
2148	L	29.7	Very low	30.5	Very low	162.8 Å²	162.8	127.8 Å²	127.8	85%	0.852	72%	0.717	S	S	*	*			trans	57.5	139	153.5	-58.1	155.7	0	0	0	115.5
2149	S	30	Very low	30.4	Very low	102 Å²	102	129.5 Å²	129.5	71%	0.713	72%	0.723	S	S	*	*			cis	-171.2	169.1	36.8	122.5	0	0	0	0	112
2150	S	30.2	Very low	30.4	Very low	103.8 Å²	103.8	134.9 Å²	134.9	73%	0.726	73%	0.729	S	S	*	*			trans	71.2	136.9	168.6	62.4	0	0	0	0	115.4
2151	S	32.1	Very low	30.7	Very low	98.4 Å²	98.4	134.1 Å²	134.1	69%	0.688	73%	0.732	S	S	*	*				116.6	143.5	52.1	69.9	0	0	0	0	114.1
2152	I	31.3	Very low	30.6	Very low	166.6 Å²	166.6	130.2 Å²	130.2	85%	0.854	73%	0.729	S	S	*	*			trans	62.2	119.9	130.9	-58.1	152.7	0	0	0	115	V2154	I2152-V2154 HydrophobicContact CG2-CG2 3.94Å
2153	G	32.1	Very low	30.7	Very low	68.6 Å²	68.6	131.5 Å²	131.5	71%	0.707	74%	0.74	S	S	*	*			trans	-179.4	129.4	147.3	0	0	0	0	0	112.1
2154	V	31.7	Very low	30.6	Very low	127.4 Å²	127.4	130.6 Å²	130.6	77%	0.772	74%	0.744	S	S	*	*				91.9	118.3	97.8	178.9	0	0	0	0	111.5	I2152	I2152-V2154 HydrophobicContact CG2-CG2 3.94Å
2155	Q	29.5	Very low	30.8	Very low	169.6 Å²	169.6	129 Å²	129	79%	0.793	74%	0.744	S	S	*	*				115.6	150.8	126.4	-87.4	-175.9	31.7	0	0	114.1
2156	V	29.7	Very low	31	Very low	117 Å²	117	125.2 Å²	125.2	71%	0.709	74%	0.74	S	S	*	*				111.7	125.7	64	163.3	0	0	0	0	113.3
2157	S	29.1	Very low	31.1	Very low	90 Å²	90	125.7 Å²	125.7	63%	0.629	74%	0.743	S	S	*	*				73.4	149.9	109.1	-75.6	0	0	0	0	120.4
2158	N	29.6	Very low	31.3	Very low	144 Å²	144	124.6 Å²	124.6	77%	0.77	75%	0.746	S	S	*	*			trans	72.7	131.3	146.9	-57.5	-15.7	0	0	0	119.3
2159	V	32	Very low	31.3	Very low	134.2 Å²	134.2	122.6 Å²	122.6	81%	0.813	74%	0.741	S	S	*	*				165.7	138.6	80.7	156	0	0	0	0	113.9
2160	R	30.2	Very low	31.4	Very low	215.6 Å²	215.6	125.2 Å²	125.2	81%	0.814	74%	0.742	S	S	*	*			trans	-38.3	145.7	159	-110.4	-174.7	178.9	-176	0.8	114.1	V2162	R2160-V2162 HydrophobicContact CB-CG2 4.38Å; R2160-V2162 HydrophobicContact CG-CG2 4.12Å; R2160-V2162 VanDerWaalsContact NE-CG2 3.34Å
2161	P	36.4	Very low	31.5	Very low	119.2 Å²	119.2	127.5 Å²	127.5	77%	0.774	74%	0.741	S	S	*	*				-116.3	164.5	106	35.6	-29	0	0	0	112.3	V2163	P2161-V2163 HydrophobicContact CB-CG2 4.32Å
2162	V	30.2	Very low	31.6	Very low	107.8 Å²	107.8	128.3 Å²	128.3	65%	0.653	74%	0.742	S	S	*	*			trans	-124.1	114.9	156.6	177.6	0	0	0	0	110.7	R2160 T2164	R2160-V2162 HydrophobicContact CB-CG2 4.38Å; R2160-V2162 HydrophobicContact CG-CG2 4.12Å; R2160-V2162 VanDerWaalsContact NE-CG2 3.34Å; V2162-T2164 WeakPolarHBondContact CG1-OG1 3.36Å
2163	V	33.2	Very low	31.7	Very low	128.4 Å²	128.4	131 Å²	131	78%	0.778	74%	0.741	S	S	*	*			trans	-104.6	130.3	158.5	177.6	0	0	0	0	108.4	P2161 V2165	P2161-V2163 HydrophobicContact CB-CG2 4.32Å; V2163-V2165 HydrophobicContact CG1-CG2 4.19Å
2164	T	31	Very low	31.9	Very low	114.2 Å²	114.2	133 Å²	133	70%	0.701	74%	0.741	S	S	*	*			trans	-150.6	133.6	150.7	-52.6	0	0	0	0	108.3	V2162 D2166	V2162-T2164 WeakPolarHBondContact CG1-OG1 3.36Å; T2164-D2166 WeakPolarHBondContact CG2-OD2 3.25Å
2165	V	33.1	Very low	31.7	Very low	115 Å²	115	131 Å²	131	70%	0.697	73%	0.733	S	S	*	*			trans	-178.9	137.6	131.3	-179.7	0	0	0	0	109	V2163 T2169	V2163-V2165 HydrophobicContact CG1-CG2 4.19Å; V2165-T2169 HydrophobicContact CG1-CG2 3.55Å
2166	D	31.4	Very low	31.9	Very low	132.8 Å²	132.8	129.9 Å²	129.9	71%	0.71	73%	0.728	S	S	*	*			cis	173.9	163.3	20.3	-131.6	-30.9	0	0	0	112.2	T2164	T2164-D2166 WeakPolarHBondContact CG2-OD2 3.25Å
2167	T	31.5	Very low	31.9	Very low	128.4 Å²	128.4	130 Å²	130	79%	0.788	73%	0.729	S	S	*	*			trans	19.6	124.8	163.6	37.1	0	0	0	0	117.9
2168	G	32.9	Very low	32	Very low	70.2 Å²	70.2	130.3 Å²	130.3	72%	0.724	73%	0.731	S	S	*	*				118.9	153.4	101.3	0	0	0	0	0	114.1
2169	T	30.7	Very low	32.3	Very low	120.4 Å²	120.4	128.8 Å²	128.8	74%	0.739	73%	0.729	S	S	*	*			cis	-166.2	153.9	-31.2	-27.1	0	0	0	0	111.1	V2165	V2165-T2169 HydrophobicContact CG1-CG2 3.55Å
2170	Q	31.5	Very low	32.3	Very low	157.4 Å²	157.4	127.6 Å²	127.6	74%	0.736	73%	0.727	S	S	*	*			trans	115.6	150.6	145.8	-94.2	178	-32.7	0	0	113.1
2171	E	32.8	Very low	32.5	Very low	152.2 Å²	152.2	122.7 Å²	122.7	71%	0.711	72%	0.723	S	S	*	*			cis	156.1	157.1	9.7	-108.4	-173.9	-155.7	0	0	111.3
2172	T	33.4	Very low	32.2	Very low	114.4 Å²	114.4	124.1 Å²	124.1	70%	0.702	72%	0.723	S	S	*	*			cis	-173.8	161.9	12.1	-70.5	0	0	0	0	112.3
2173	R	34	Very low	32.2	Very low	225.2 Å²	225.2	126.9 Å²	126.9	85%	0.85	73%	0.729	S	S	*	*			trans	-128.1	158.1	174.4	-118.1	-174.8	-173.1	-161.5	3.9	111
2174	P	35.3	Very low	32.1	Very low	109.2 Å²	109.2	126.8 Å²	126.8	71%	0.709	73%	0.729	S	S	*	*				-134.2	-176.1	104.9	39.4	-24.4	0	0	0	114.3
2175	S	29.4	Very low	32.1	Very low	86.4 Å²	86.4	129.1 Å²	129.1	60%	0.604	73%	0.729	S	S	*	*			trans	81.7	151.2	162.4	-95.3	0	0	0	0	115.9	L1578 T2177	L1578-S2175 PolarHBondContact N-O 2.97Å; L1578-S2175 CarbonylContact O-C 3.58Å; L1578-S2175 VanDerWaalsContact O-O 3.12Å; S2175-T2177 PolarHBondContact O-N 3.28Å
2176	E	32	Very low	32	Very low	146 Å²	146	130.5 Å²	130.5	68%	0.682	73%	0.733	S	S	*	*			cis	-162.5	130.6	11.6	-120.9	161.1	-116.6	0	0	112.3	L1578 T1579	L1578-E2176 WeakPolarHBondContact O-CA 3.46Å; L1578-E2176 WeakPolarHBondContact O-CB 3.43Å; L1578-E2176 PolarHBondContact O-N 3.26Å; T1579-E2176 HydrophobicContact CG2-CB 3.8Å; T1579-E2176 HydrophobicContact CG2-CG 4.49Å
2177	T	31	Very low	32.1	Very low	119.8 Å²	119.8	132.5 Å²	132.5	74%	0.735	74%	0.735	S	S	*	*				122.1	134.6	117.7	-72.4	0	0	0	0	116.1	S2175	S2175-T2177 PolarHBondContact O-N 3.28Å
2178	S	30.1	Very low	32	Very low	95.4 Å²	95.4	133 Å²	133	67%	0.667	73%	0.726	S	S	*	*			trans	-40.6	173.3	158.8	74.9	0	0	0	0	115.8
2179	P	36	Very low	31.9	Very low	111.6 Å²	111.6	137.6 Å²	137.6	73%	0.725	73%	0.733	S	S	*	*			cis	-129.5	157.3	16.9	32.9	-16.5	0	0	0	115.6
2180	S	32.5	Very low	31.9	Very low	109.6 Å²	109.6	137.2 Å²	137.2	77%	0.766	72%	0.723	S	S	*	*			trans	4.7	156	157.8	-30.9	0	0	0	0	116.9
2181	P	34.6	Very low	31.9	Very low	114 Å²	114	135 Å²	135	74%	0.74	72%	0.72	S	S	*	*				-118.6	161.2	92.6	33.9	-22.5	0	0	0	114.7
2182	L	28.9	Very low	31.8	Very low	148.2 Å²	148.2	136.7 Å²	136.7	78%	0.776	72%	0.721	S	S	*	*			trans	-164.5	122.6	155.6	-79.2	172.1	0	0	0	115.9
2183	Q	30.1	Very low	32	Very low	165.2 Å²	165.2	136.3 Å²	136.3	77%	0.772	72%	0.721	S	S	*	*			trans	-64.4	148.7	142.8	-72.4	177.7	27.5	0	0	114.1	K2185	Q2183-K2185 PolarHBondContact O-N 2.85Å
2184	V	32.2	Very low	31.9	Very low	128.2 Å²	128.2	130.5 Å²	130.5	78%	0.777	72%	0.715	S	S	*	*			trans	-114.2	113.1	159.1	178.8	0	0	0	0	111.5
2185	K	30.8	Very low	31.8	Very low	160.6 Å²	160.6	134.7 Å²	134.7	70%	0.698	72%	0.722	S	S	*	*			trans	-176.8	121.5	156.1	-110.8	170.3	-176.1	168.5	0	115.2	L1586 Q2183 K2187	L1586-K2185 HydrophobicContact CD2-CD 4.36Å; L1586-K2185 HydrophobicContact CG-CD 3.88Å; Q2183-K2185 PolarHBondContact O-N 2.85Å; K2185-K2187 HydrophobicContact CB-CG 4.14Å; K2185-K2187 HydrophobicContact CD-CD 4.44Å; K2185-K2187 HydrophobicContact CD-CG 4.46Å; K2185-K2187 HydrophobicContact CG-CD 4.28Å; K2185-K2187 HydrophobicContact CG-CG 3.78Å; K2185-K2187 VanDerWaalsContact O-CB 3.31Å; K2185-K2187 WeakPolarHBondContact O-CB 3.39Å; K2185-K2187 VanDerWaalsContact O-CG 3.24Å; K2185-K2187 WeakPolarHBondContact O-CG 3.11Å; K2185-K2187 PolarHBondContact O-N 3.47Å
2186	N	31.1	Very low	31.9	Very low	146 Å²	146	138.5 Å²	138.5	78%	0.781	74%	0.735	S	S	*	*			trans	-33.5	121.4	160.1	-58.6	-23.8	0	0	0	115.1
2187	K	32.9	Very low	31.8	Very low	174.2 Å²	174.2	134.4 Å²	134.4	76%	0.757	73%	0.732	S	S	*	*				-166.8	116.9	118.2	-91.4	179.7	-163.5	177.2	0	112.3	Y1587 E1588 K2185 L2189	Y1587-K2187 VanDerWaalsContact C-CB 3.47Å; Y1587-K2187 VanDerWaalsContact CA-CE 3.42Å; Y1587-K2187 VanDerWaalsContact CD1-NZ 3.26Å; E1588-K2187 HydrophobicContact CB-CD 3.74Å; E1588-K2187 HydrophobicContact CG-CD 3.84Å; E1588-K2187 WeakPolarHBondContact OE1-CD 3.43Å; E1588-K2187 VanDerWaalsContact OE1-CE 3.32Å; E1588-K2187 WeakPolarHBondContact OE1-CE 3.2Å; E1588-K2187 IonicContact OE1-NZ 3.22Å; E1588-K2187 PolarHBondContact OE1-NZ 3.42Å; E1588-K2187 IonicContact OE2-NZ 3.92Å; E1588-K2187 PolarHBondContact OE2-NZ 3.33Å; K2185-K2187 HydrophobicContact CB-CG 4.14Å; K2185-K2187 HydrophobicContact CD-CD 4.44Å; K2185-K2187 HydrophobicContact CD-CG 4.46Å; K2185-K2187 HydrophobicContact CG-CD 4.28Å; K2185-K2187 HydrophobicContact CG-CG 3.78Å; K2185-K2187 VanDerWaalsContact O-CB 3.31Å; K2185-K2187 WeakPolarHBondContact O-CB 3.39Å; K2185-K2187 VanDerWaalsContact O-CG 3.24Å; K2185-K2187 WeakPolarHBondContact O-CG 3.11Å; K2185-K2187 PolarHBondContact O-N 3.47Å; K2187-L2189 PolarHBondContact O-N 3.24Å
2188	K	30.4	Very low	31.9	Very low	139.2 Å²	139.2	136.7 Å²	136.7	61%	0.605	73%	0.734	S	S	*	*			trans	4.5	122.3	163.6	-166.4	-179.4	-174.3	174.6	0	113.4	E1588 N1589 V1590 Q2190 M2215 S2216	E1588-K2188 WeakPolarHBondContact O-CD 3.24Å; E1588-K2188 WeakPolarHBondContact O-CE 3.07Å; E1588-K2188 WeakPolarHBondContact O-CG 3.06Å; E1588-K2188 PolarHBondContact O-NZ 3.35Å; N1589-K2188 VanDerWaalsContact C-CG 3.45Å; N1589-K2188 WeakPolarHBondContact O-CA 3.11Å; N1589-K2188 WeakPolarHBondContact O-CG 3.36Å; V1590-K2188 WeakPolarHBondContact O-CG 3.36Å; K2188-Q2190 HydrophobicContact CG-CB 4.06Å; K2188-Q2190 HydrophobicContact CG-CG 4.38Å; K2188-Q2190 PolarHBondContact O-N 3.33Å; K2188-M2215 HydrophobicContact CB-CE 4.41Å; K2188-M2215 HydrophobicContact CD-CE 4.08Å; K2188-M2215 HydrophobicContact CD-CG 4.15Å; K2188-M2215 HydrophobicContact CG-CE 4.27Å; K2188-S2216 PolarHBondContact NZ-OG 3.26Å
2189	L	30.7	Very low	32	Very low	165.6 Å²	165.6	140.1 Å²	140.1	87%	0.867	74%	0.74	S	S	*	*			trans	-120.9	144.1	148.7	-92	153	0	0	0	110.7	N1589 V1590 Q1591 K2187	N1589-L2189 CarbonylContact O-C 3.57Å; N1589-L2189 WeakPolarHBondContact O-CA 3.45Å; V1590-L2189 WeakPolarHBondContact O-CA 3.07Å; V1590-L2189 WeakPolarHBondContact O-CG 3.48Å; Q1591-L2189 HydrophobicContact CB-CD2 4.35Å; K2187-L2189 PolarHBondContact O-N 3.24Å
2190	Q	30.7	Very low	31.8	Very low	113.8 Å²	113.8	140.2 Å²	140.2	53%	0.532	74%	0.738	S	S	.	*			trans	-146.6	160.9	179	-137.9	-166.4	-14.6	0	0	111.5	N1589 Q1591 A1592 K2188 Y2192	N1589-Q2190 VanDerWaalsContact C-CB 3.44Å; N1589-Q2190 WeakPolarHBondContact O-CB 3.4Å; N1589-Q2190 PolarHBondContact O-N 3.49Å; N1589-Q2190 PolarHBondContact OD1-NE2 3.17Å; Q1591-Q2190 CarbonylContact C-O 3.52Å; Q1591-Q2190 WeakPolarHBondContact CA-O 3.46Å; Q1591-Q2190 VanDerWaalsContact O-O 3.12Å; A1592-Q2190 WeakPolarHBondContact CB-O 3.41Å; A1592-Q2190 PolarHBondContact N-O 3.07Å; K2188-Q2190 HydrophobicContact CG-CB 4.06Å; K2188-Q2190 HydrophobicContact CG-CG 4.38Å; K2188-Q2190 PolarHBondContact O-N 3.33Å; Q2190-Y2192 HydrophobicContact CG-CD2 4.24Å; Q2190-Y2192 HydrophobicContact CG-CE2 4.11Å; Q2190-Y2192 PolarHBondContact O-N 3Å
2191	V	31.3	Very low	31.9	Very low	110 Å²	110	143.6 Å²	143.6	67%	0.667	74%	0.742	S	S	*	*			trans	55.3	136.2	177.8	-159.4	0	0	0	0	111.8	V1590 A1592	V1590-V2191 HydrophobicContact CB-CG2 4.36Å; V1590-V2191 HydrophobicContact CG1-CG2 3.65Å; A1592-V2191 HydrophobicContact CB-CB 3.87Å; A1592-V2191 VanDerWaalsContact CB-O 3.27Å; A1592-V2191 WeakPolarHBondContact CB-O 3.43Å
2192	Y	30.1	Very low	31.7	Very low	188.2 Å²	188.2	145.9 Å²	145.9	74%	0.738	74%	0.742	S	S	*	*			cis	-131.6	142.5	9.3	-86.3	-93.8	0	0	0	112.2	T1593 Q2190	T1593-Y2192 PolarHBondContact N-O 3.17Å; Q2190-Y2192 HydrophobicContact CG-CD2 4.24Å; Q2190-Y2192 HydrophobicContact CG-CE2 4.11Å; Q2190-Y2192 PolarHBondContact O-N 3Å
2193	P	37.9	Very low	31.9	Very low	106 Å²	106	147.3 Å²	147.3	69%	0.688	75%	0.745	S	S	*	*			trans	-100.9	163	176.1	37.1	-28.4	0	0	0	112.4	M1594	M1594-P2193 VanDerWaalsContact CB-O 3.31Å; M1594-P2193 WeakPolarHBondContact CB-O 3.27Å; M1594-P2193 WeakPolarHBondContact CG-O 3.38Å; M1594-P2193 VanDerWaalsContact SD-O 3.39Å
2194	S	31.6	Very low	31.8	Very low	103.8 Å²	103.8	147.2 Å²	147.2	73%	0.726	74%	0.742	S	S	*	*			trans	-151.3	136.5	163.6	-75.2	0	0	0	0	112.7
2195	K	32.9	Very low	31.9	Very low	197 Å²	197	148 Å²	148	86%	0.857	74%	0.741	S	S	*	*			trans	-132.7	145.9	147.2	-61.3	-166.8	177.5	-173.9	0	113.9
2196	L	31.1	Very low	31.9	Very low	166.2 Å²	166.2	148.7 Å²	148.7	87%	0.87	75%	0.746	S	S	*	*				-161.7	147.8	110	-159.9	68.9	0	0	0	111.8	E2198	L2196-E2198 HydrophobicContact CD1-CG 4.28Å; L2196-E2198 HydrophobicContact CG-CG 4.21Å
2197	G	31.6	Very low	32.2	Very low	60.6 Å²	60.6	146.5 Å²	146.5	63%	0.625	74%	0.74	S	S	*	*			trans	110.1	136.1	170.6	0	0	0	0	0	113.8
2198	E	33.2	Very low	32	Very low	167.8 Å²	167.8	146.1 Å²	146.1	78%	0.784	74%	0.741	S	S	*	*			cis	118.5	161.3	25.9	-90.6	171.7	139.9	0	0	113.6	L2196	L2196-E2198 HydrophobicContact CD1-CG 4.28Å; L2196-E2198 HydrophobicContact CG-CG 4.21Å
2199	Q	32.3	Very low	32	Very low	166.6 Å²	166.6	147.1 Å²	147.1	78%	0.779	75%	0.748	S	S	*	*			trans	163.8	137	-150	-103.3	-175.8	24.1	0	0	112.7
2200	V	30.8	Very low	32.1	Very low	113.8 Å²	113.8	145.2 Å²	145.2	69%	0.69	74%	0.743	S	S	*	*				73.3	121.9	96	176.3	0	0	0	0	115.1
2201	E	34	Very low	32.1	Very low	181.5 Å²	181.5	146.5 Å²	146.5	85%	0.848	75%	0.752	S	S	*	*				-129.7	174.7	113.5	-132.6	140.9	-136.1	0	0	113.6
2202	E	30.4	Very low	32	Very low	160.75 Å²	160.75	145.4 Å²	145.4	75%	0.751	75%	0.748	S	S	*	*				-137.8	154	-94.3	-115.2	166.5	162.7	0	0	110.7	F2204	E2202-F2204 HydrophobicContact CB-CD2 4.41Å
2203	E	33.3	Very low	32.1	Very low	177.25 Å²	177.25	144.4 Å²	144.4	83%	0.828	75%	0.748	S	S	*	*			trans	-159	127.9	154.4	-144	177.4	-176.6	0	0	113.5
2204	F	28.6	Very low	31.7	Very low	163.25 Å²	163.25	142.3 Å²	142.3	72%	0.716	75%	0.746	S	S	*	*				-175.1	143.7	104	-103.3	-93.1	0	0	0	112.9	E2202	E2202-F2204 HydrophobicContact CB-CD2 4.41Å
2205	I	33.6	Very low	31.6	Very low	145.75 Å²	145.75	145.5 Å²	145.5	75%	0.747	75%	0.751	S	S	*	*			trans	97.9	122.3	143.9	-74.4	161.1	0	0	0	117.3
2206	H	31.8	Very low	31.5	Very low	174.5 Å²	174.5	140.5 Å²	140.5	81%	0.808	74%	0.741	S	S	*	*			trans	147.4	167	143.9	-107.8	38.1	0	0	0	113.9
2207	P	36.2	Very low	31.4	Very low	101 Å²	101	138.5 Å²	138.5	66%	0.656	74%	0.736	S	S	*	*			cis	-132	175.1	-33.4	38.5	-21.5	0	0	0	114.9
2208	Q	29.9	Very low	31.4	Very low	165.75 Å²	165.75	141.1 Å²	141.1	78%	0.775	74%	0.744	S	S	*	*			trans	110.5	118.9	142.5	-114.4	173.7	-9.4	0	0	119.6
2209	E	30.7	Very low	31.1	Very low	160.25 Å²	160.25	140.9 Å²	140.9	75%	0.749	75%	0.748	S	S	*	*			trans	0.2	147.6	141.2	-61.5	174.3	117.5	0	0	118.8
2210	T	32	Very low	31	Very low	125 Å²	125	139.2 Å²	139.2	77%	0.767	75%	0.749	S	S	*	*				176.9	121	124.5	-46.5	0	0	0	0	115.9
2211	I	31.2	Very low	30.8	Very low	141.5 Å²	141.5	141.9 Å²	141.9	73%	0.726	75%	0.754	S	S	*	*			trans	22.9	133.5	156.2	-48	171.6	0	0	0	117.2
2212	C	29.4	Very low	30.6	Very low	86.75 Å²	86.75	140.4 Å²	140.4	59%	0.586	75%	0.75	S	S	*	*				138.7	131.7	129.8	-104	0	0	0	0	120.3	E2104 C2105 Q2106 G2214	E2104-C2212 PolarHBondContact O-SG 3.17Å; C2105-C2212 VanDerWaalsContact C-CB 3.43Å; C2105-C2212 PolarHBondContact N-SG 3.31Å; C2105-C2212 VanDerWaalsContact N-SG 3.35Å; Q2106-C2212 CarbonylContact C-O 3.55Å; Q2106-C2212 PolarHBondContact O-N 2.79Å; C2212-G2214 PolarHBondContact O-N 2.98Å
2213	K	32.2	Very low	30.6	Very low	167.75 Å²	167.75	138.8 Å²	138.8	73%	0.729	75%	0.752	S	S	*	*			trans	34.1	138.4	155	-58.7	171.4	-177.3	173.6	0	117.9	Q2103 E2104 C2105	Q2103-K2213 PolarHBondContact O-NZ 3.23Å; E2104-K2213 HydrophobicContact CG-CB 4.18Å; E2104-K2213 HydrophobicContact CG-CD 3.84Å; C2105-K2213 WeakPolarHBondContact CA-O 3.42Å; C2105-K2213 PolarHBondContact SG-O 3.28Å
2214	G	29.2	Very low	30.4	Very low	62.25 Å²	62.25	138.1 Å²	138.1	64%	0.642	75%	0.748	S	S	*	*			cis	151.5	177.3	21.9	0	0	0	0	0	116.6	C2212	C2212-G2214 PolarHBondContact O-N 2.98Å
2215	M	29.8	Very low	30.4	Very low	170 Å²	170	136 Å²	136	84%	0.837	75%	0.749	S	S	*	*			trans	85.4	121.8	169	-68	178.8	77	0	0	114.8	K2188	K2188-M2215 HydrophobicContact CB-CE 4.41Å; K2188-M2215 HydrophobicContact CD-CE 4.08Å; K2188-M2215 HydrophobicContact CD-CG 4.15Å; K2188-M2215 HydrophobicContact CG-CE 4.27Å
2216	S	29.5	Very low	30.2	Very low	93.25 Å²	93.25	136.1 Å²	136.1	65%	0.652	75%	0.751	S	S	*	*				-144.5	146.4	84.9	-71.4	0	0	0	0	112.5	K2188	K2188-S2216 PolarHBondContact NZ-OG 3.26Å
2217	T	29.7	Very low	30.2	Very low	123.25 Å²	123.25	136.4 Å²	136.4	76%	0.756	75%	0.753	S	S	*	*				120.3	143.8	89.7	38.9	0	0	0	0	117.7
2218	S	31	Very low	29.8	Very low	114.5 Å²	114.5	136.5 Å²	136.5	80%	0.801	76%	0.755	S	S	*	*			trans	163.6	128.7	142.4	63.7	0	0	0	0	116.2
2219	L	27.5	Very low	29.7	Very low	165 Å²	165	136.1 Å²	136.1	86%	0.864	76%	0.757	S	S	*	*			trans	-140.7	129	147.5	-171.5	83.9	0	0	0	110.4
2220	T	30.2	Very low	29.8	Very low	129.5 Å²	129.5	134.6 Å²	134.6	79%	0.794	75%	0.754	S	S	*	*			trans	-172.1	137.8	160.7	2.6	0	0	0	0	114.4
2221	E	27.2	Very low	29.6	Very low	172 Å²	172	136.3 Å²	136.3	80%	0.804	75%	0.75	S	S	*	*			trans	-98.6	150.2	176.4	-68.2	160.4	124.9	0	0	112.8
2222	I	29.6	Very low	29.5	Very low	148.5 Å²	148.5	136.4 Å²	136.4	76%	0.762	75%	0.753	S	S	*	*			trans	118.3	127.5	142.8	-65.9	163.1	0	0	0	113.6
2223	T	29.5	Very low	29.6	Very low	128.5 Å²	128.5	138 Å²	138	79%	0.788	76%	0.76	S	S	*	*			trans	-119.2	144.2	135.9	26.2	0	0	0	0	112.4
2224	Q	29.2	Very low	29.7	Very low	161 Å²	161	138 Å²	138	75%	0.752	76%	0.762	S	S	*	*			trans	-126.4	132	158.3	-82.9	172.4	-40.4	0	0	113.7
2225	T	29.1	Very low	29.8	Very low	119.25 Å²	119.25	140.3 Å²	140.3	73%	0.732	77%	0.767	S	S	*	*			trans	-151.9	125.7	156.4	42.6	0	0	0	0	111.6
2226	D	29.9	Very low	29.8	Very low	149 Å²	149	141.3 Å²	141.3	80%	0.797	77%	0.767	S	S	*	*				-123.7	117.7	119.5	-76.5	-47.5	0	0	0	113.8	C2228	D2226-C2228 PolarHBondContact O-N 2.85Å
2227	E	30.6	Very low	30	Very low	180.75 Å²	180.75	145 Å²	145	85%	0.845	77%	0.772	S	S	*	*			trans	-3.9	116	143.3	-74.4	-134.4	139.9	0	0	114.6
2228	C	27.7	Very low	30.1	Very low	103 Å²	103	144.5 Å²	144.5	70%	0.696	77%	0.772	S	S	*	*			trans	164.4	115.1	148.5	-108.2	0	0	0	0	116.6	D2226	D2226-C2228 PolarHBondContact O-N 2.85Å
2229	L	29.3	Very low	30.2	Very low	156.5 Å²	156.5	146.4 Å²	146.4	82%	0.819	77%	0.771	S	S	*	*				137.4	120.2	127.4	-71.7	172	0	0	0	117
2230	L	30.9	Very low	30.4	Very low	129.75 Å²	129.75	143.8 Å²	143.8	68%	0.679	77%	0.767	S	S	*	*			trans	140.7	106.1	148.4	-144.4	68.2	0	0	0	116.9	N2088	N2088-L2230 VanDerWaalsContact OD1-CD2 3.31Å; N2088-L2230 WeakPolarHBondContact OD1-CD2 3.33Å
2231	K	29.4	Very low	30.5	Very low	160 Å²	160	149.5 Å²	149.5	70%	0.696	77%	0.774	S	S	*	*			trans	81.5	118.2	155.9	-67.1	171.1	-172.9	169.1	0	116.2	N2088 T2090	N2088-K2231 HydrophobicContact CB-CD 4.45Å; N2088-K2231 HydrophobicContact CB-CG 3.98Å; N2088-K2231 WeakPolarHBondContact OD1-CE 3.48Å; T2090-K2231 PolarHBondContact OG1-NZ 3.24Å
2232	N	28.1	Very low	30.7	Very low	144.25 Å²	144.25	145.3 Å²	145.3	77%	0.771	78%	0.777	S	S	*	*			trans	-176.3	97.8	137.3	-93.8	-9.2	0	0	0	112.9
2233	T	32.3	Very low	30.8	Very low	120 Å²	120	141.8 Å²	141.8	74%	0.736	78%	0.777	S	S	*	*			trans	-146.3	115.5	134.6	43.2	0	0	0	0	111.8	C2235	T2233-C2235 PolarHBondContact O-N 3.31Å
2234	E	34.5	Very low	31.1	Very low	168.75 Å²	168.75	142.4 Å²	142.4	79%	0.789	78%	0.775	S	S	*	*				-112.1	141.8	118.8	-75.4	-162.9	147.7	0	0	110.1	F2236	E2234-F2236 PolarHBondContact O-N 2.81Å
2235	C	30	Very low	31.4	Very low	110.25 Å²	110.25	142.9 Å²	142.9	75%	0.745	78%	0.775	S	S	*	*			trans	-112.3	134.6	-175.5	-156.4	0	0	0	0	110	T2233 K2237	T2233-C2235 PolarHBondContact O-N 3.31Å; C2235-K2237 PolarHBondContact O-N 3.15Å; C2235-K2237 VanDerWaalsContact O-N 3.14Å
2236	F	31.3	Very low	31.7	Very low	190.75 Å²	190.75	145.5 Å²	145.5	84%	0.837	78%	0.776	S	S	*	*			trans	-52.5	107.9	170.9	-90.8	-93.6	0	0	0	113.3	E2234	E2234-F2236 PolarHBondContact O-N 2.81Å
2237	K	32.5	Very low	31.8	Very low	170.5 Å²	170.5	143.8 Å²	143.8	74%	0.741	77%	0.771	S	S	*	*			trans	-148.5	127.5	178.9	-126.6	176.8	-178.1	175.7	0	112.7	C2235 I2239 M2280	C2235-K2237 PolarHBondContact O-N 3.15Å; C2235-K2237 VanDerWaalsContact O-N 3.14Å; K2237-I2239 HydrophobicContact CG-CD1 4.36Å; K2237-M2280 PolarHBondContact NZ-SD 2.98Å
2238	C	31.3	Very low	32.1	Very low	112.75 Å²	112.75	142.7 Å²	142.7	76%	0.762	77%	0.769	S	S	*	*			trans	-159.1	135.6	158.4	-75.5	0	0	0	0	113.6
2239	I	33.4	Very low	32.4	Very low	154.5 Å²	154.5	144 Å²	144	79%	0.792	77%	0.769	S	S	*	*				90.8	108.1	129.2	-56.3	167.6	0	0	0	114.4	K2237	K2237-I2239 HydrophobicContact CG-CD1 4.36Å
2240	S	32.3	Very low	32.8	Very low	110.25 Å²	110.25	145 Å²	145	77%	0.771	77%	0.767	S	S	*	*			trans	-44.3	154	133.6	-48.5	0	0	0	0	117.9
2241	R	31.4	Very low	32.8	Very low	250.25 Å²	250.25	145.4 Å²	145.4	94%	0.944	77%	0.77	S	S	*	*				-134.4	142.5	123.3	-101.2	178.8	170.1	-159.1	-2.6	116.6
2242	G	32.2	Very low	33	Very low	82.75 Å²	82.75	144 Å²	144	85%	0.853	77%	0.774	S	S	*	*			trans	114.1	154.4	156.9	0	0	0	0	0	116.4
2243	G	32	Very low	33.2	Very low	74 Å²	74	145.6 Å²	145.6	76%	0.763	78%	0.777	S	S	*	*			cis	170.9	136.5	-12.8	0	0	0	0	0	113.6
2244	D	35.4	Very low	33.2	Very low	143 Å²	143	145.4 Å²	145.4	77%	0.765	78%	0.781	S	S	*	*			trans	-51.6	150.1	167.1	-75.8	-35	0	0	0	117.9	S2085	S2085-D2244 PolarHBondContact OG-OD1 3.48Å
2245	K	35.8	Very low	33	Very low	170 Å²	170	145.6 Å²	145.6	74%	0.739	78%	0.782	S	S	*	*				-157.9	135.8	122	-81.6	167.8	-178.1	148.6	0	116	S2085 V2086	S2085-K2245 CarbonylContact O-C 3.54Å; S2085-K2245 WeakPolarHBondContact O-CA 3.42Å; S2085-K2245 WeakPolarHBondContact O-CB 3.43Å; S2085-K2245 WeakPolarHBondContact O-CG 3.38Å; V2086-K2245 HydrophobicContact CG2-CB 3.8Å; V2086-K2245 HydrophobicContact CG2-CD 4.22Å; V2086-K2245 HydrophobicContact CG2-CG 3.7Å
2246	K	36.2	Very low	33	Very low	175.5 Å²	175.5	149 Å²	149	76%	0.763	79%	0.787	S	S	*	*			trans	-147.5	150.8	141.1	-97.6	176.2	-171.7	172.3	0	115.6	D2084 S2085 V2086	D2084-K2246 VanDerWaalsContact C-CG 3.5Å; D2084-K2246 HydrophobicContact CB-CB 4.48Å; D2084-K2246 HydrophobicContact CB-CG 4.26Å; D2084-K2246 VanDerWaalsContact O-CG 3.31Å; D2084-K2246 WeakPolarHBondContact O-CG 3.18Å; D2084-K2246 VanDerWaalsContact OD1-CA 3.3Å; D2084-K2246 WeakPolarHBondContact OD1-CA 3.03Å; D2084-K2246 PolarHBondContact OD1-N 3Å; D2084-K2246 VanDerWaalsContact OD2-CA 3.24Å; D2084-K2246 WeakPolarHBondContact OD2-CA 3.01Å; S2085-K2246 WeakPolarHBondContact O-CB 3.27Å; S2085-K2246 PolarHBondContact O-N 3.5Å; V2086-K2246 HydrophobicContact CB-CB 3.36Å; V2086-K2246 HydrophobicContact CB-CD 3.78Å; V2086-K2246 HydrophobicContact CB-CG 3.99Å; V2086-K2246 HydrophobicContact CG2-CB 3.57Å; V2086-K2246 VanDerWaalsContact N-CE 3.35Å; V2086-K2246 PolarHBondContact O-NZ 2.75Å
2247	T	32.3	Very low	33.2	Very low	112.75 Å²	112.75	148.7 Å²	148.7	69%	0.692	79%	0.785	S	S	*	*			trans	-123.7	153.9	150.7	-26.8	0	0	0	0	110.6	D2084	D2084-T2247 PolarHBondContact OD2-N 3.24Å
2248	I	36.1	Very low	33	Very low	156.5 Å²	156.5	145.3 Å²	145.3	80%	0.803	78%	0.783	S	S	*	*				-167.1	135.9	122.8	-73.8	164.9	0	0	0	108.8
2249	D	33.1	Very low	33.2	Very low	130 Å²	130	147.6 Å²	147.6	70%	0.695	79%	0.786	S	S	*	*				-138.7	148.1	126.6	-146.3	-3.8	0	0	0	113.5
2250	K	37.7	Very low	33.1	Very low	179.5 Å²	179.5	151.1 Å²	151.1	78%	0.78	79%	0.789	S	S	*	*			trans	158.9	112.1	146.3	-79.6	-164.2	174.1	-151.3	0	117.1
2251	D	31.6	Very low	33	Very low	136.5 Å²	136.5	151.6 Å²	151.6	73%	0.73	79%	0.788	S	S	*	*			trans	29.2	146.3	131.7	-66.7	-42.3	0	0	0	120.9
2252	V	33.7	Very low	33	Very low	130.25 Å²	130.25	148.4 Å²	148.4	79%	0.789	78%	0.781	S	S	*	*			trans	141.7	121.9	139.3	178.6	0	0	0	0	114
2253	Q	31.5	Very low	32.9	Very low	178.5 Å²	178.5	153.6 Å²	153.6	83%	0.834	78%	0.783	S	S	*	*			trans	-9.1	142.6	148.9	-63	172.9	-9.1	0	0	116.4
2254	S	32.1	Very low	32.7	Very low	115.25 Å²	115.25	156.4 Å²	156.4	81%	0.806	79%	0.785	S	S	*	*				-179.6	145.8	125.1	46.5	0	0	0	0	113.6
2255	E	31.4	Very low	32.4	Very low	174.5 Å²	174.5	154 Å²	154	82%	0.815	79%	0.785	S	S	*	*			trans	-114.9	135.2	159.7	-84	-165.4	147.4	0	0	114.2	K2257	E2255-K2257 IonicContact OE2-NZ 3.44Å; E2255-K2257 PolarHBondContact OE2-NZ 2.96Å
2256	E	30.8	Very low	32	Very low	180.75 Å²	180.75	151.8 Å²	151.8	85%	0.845	79%	0.792	S	S	*	*			trans	-111.7	143.5	163.8	-165.6	-165.9	144.7	0	0	110.9
2257	K	33.6	Very low	31.7	Very low	184.5 Å²	184.5	148.4 Å²	148.4	80%	0.802	79%	0.79	S	S	*	*			trans	-137.9	96.2	177.6	-119.1	160.7	-168	153.8	0	114.9	E2255	E2255-K2257 IonicContact OE2-NZ 3.44Å; E2255-K2257 PolarHBondContact OE2-NZ 2.96Å
2258	S	29.9	Very low	31.4	Very low	99.25 Å²	99.25	149.1 Å²	149.1	69%	0.694	79%	0.794	S	S	*	*			trans	-59.8	127.2	162.8	170.2	0	0	0	0	115.6
2259	I	35	Very low	31.2	Very low	161.25 Å²	161.25	147.9 Å²	147.9	83%	0.827	79%	0.793	S	S	*	*			trans	-107.4	118.2	144.1	-60	-178.1	0	0	0	111.3	T2261	I2259-T2261 PolarHBondContact O-N 2.94Å
2260	R	30.1	Very low	31	Very low	227 Å²	227	149.9 Å²	149.9	86%	0.857	80%	0.796	S	S	*	*			trans	-80.7	114	-179.4	179.2	-164.2	-145.4	-169.2	5.7	112.2
2261	T	31.8	Very low	30.6	Very low	122.5 Å²	122.5	146.5 Å²	146.5	75%	0.752	80%	0.795	S	S	*	*			trans	-138.6	113.7	159.4	-63.4	0	0	0	0	112.7	I2259	I2259-T2261 PolarHBondContact O-N 2.94Å
2262	K	31.1	Very low	30.5	Very low	182.25 Å²	182.25	145.8 Å²	145.8	79%	0.792	79%	0.791	S	S	*	*			trans	9.6	121.2	156.7	-60.9	177.7	-179.3	178.2	0	117.8
2263	Q	29.5	Very low	30.3	Very low	191.75 Å²	191.75	150.4 Å²	150.4	90%	0.896	80%	0.796	S	S	*	*			trans	-95.5	137.8	147.4	-77	170.1	-26.3	0	0	109.5
2264	T	28.8	Very low	30.1	Very low	133.5 Å²	133.5	150.5 Å²	150.5	82%	0.819	79%	0.794	S	S	*	*			trans	-163.3	118.5	138.9	-61.5	0	0	0	0	109.5
2265	A	29	Very low	30	Very low	92.25 Å²	92.25	151.3 Å²	151.3	76%	0.762	79%	0.794	S	S	*	*			trans	-152.6	128.3	162.9	0	0	0	0	0	112	S2267	A2265-S2267 VanDerWaalsContact C-N 3.33Å; A2265-S2267 PolarHBondContact O-N 2.95Å
2266	S	27	Very low	29.8	Very low	124.5 Å²	124.5	153 Å²	153	87%	0.871	79%	0.793	S	S	*	*			trans	-104.4	140.1	156.2	-85	0	0	0	0	111.1
2267	S	29.3	Very low	29.8	Very low	103.25 Å²	103.25	150.9 Å²	150.9	72%	0.722	79%	0.786	S	S	*	*			trans	-146.9	109.3	163.7	173.6	0	0	0	0	112.4	A2265 V2269	A2265-S2267 VanDerWaalsContact C-N 3.33Å; A2265-S2267 PolarHBondContact O-N 2.95Å; S2267-V2269 PolarHBondContact O-N 2.93Å; S2267-V2269 VanDerWaalsContact O-N 3.17Å
2268	T	27.2	Very low	29.6	Very low	126.75 Å²	126.75	149.6 Å²	149.6	78%	0.778	79%	0.787	S	S	*	*			trans	-70.6	111.8	169.6	41	0	0	0	0	110.8	K2270	T2268-K2270 PolarHBondContact O-N 2.95Å
2269	V	30.5	Very low	29.5	Very low	131.5 Å²	131.5	152.5 Å²	152.5	80%	0.797	79%	0.79	S	S	*	*			trans	-89.1	109.6	166.7	-178.9	0	0	0	0	108.9	S2267 S2271	S2267-V2269 PolarHBondContact O-N 2.93Å; S2267-V2269 VanDerWaalsContact O-N 3.17Å; V2269-S2271 PolarHBondContact O-N 3Å; V2269-S2271 VanDerWaalsContact O-N 3.08Å
2270	K	28.4	Very low	29.2	Very low	172.25 Å²	172.25	152.5 Å²	152.5	75%	0.749	79%	0.788	S	S	*	*			trans	-79	120.3	170.9	-68.6	-177.2	177.8	-178.3	0	109.7	T2268 N2272	T2268-K2270 PolarHBondContact O-N 2.95Å; K2270-N2272 PolarHBondContact O-N 3.2Å; K2270-N2272 VanDerWaalsContact O-N 3.09Å; K2270-N2272 PolarHBondContact O-ND2 3.24Å; K2270-N2272 VanDerWaalsContact O-ND2 3.14Å
2271	S	30.7	Very low	29.1	Very low	108.5 Å²	108.5	149.9 Å²	149.9	76%	0.759	79%	0.786	S	S	*	*			trans	-89.1	87.4	164.5	48.1	0	0	0	0	110.8	V2269 Y2273	V2269-S2271 PolarHBondContact O-N 3Å; V2269-S2271 VanDerWaalsContact O-N 3.08Å; S2271-Y2273 VanDerWaalsContact C-N 3.26Å; S2271-Y2273 PolarHBondContact O-N 3.21Å; S2271-Y2273 VanDerWaalsContact O-N 3.13Å
2272	N	28.8	Very low	29	Very low	121.25 Å²	121.25	149.7 Å²	149.7	65%	0.648	78%	0.784	S	S	*	*			trans	-84.6	101.9	172.4	-73.3	-23.9	0	0	0	109.6	K2270 F2274	K2270-N2272 PolarHBondContact O-N 3.2Å; K2270-N2272 VanDerWaalsContact O-N 3.09Å; K2270-N2272 PolarHBondContact O-ND2 3.24Å; K2270-N2272 VanDerWaalsContact O-ND2 3.14Å; N2272-F2274 PolarHBondContact O-N 3.08Å; N2272-F2274 VanDerWaalsContact O-N 3.12Å
2273	Y	29.7	Very low	29.1	Very low	226.5 Å²	226.5	148.4 Å²	148.4	89%	0.888	78%	0.784	S	S	*	*			trans	-103.9	107.4	161.8	-77.4	-74.9	0	0	0	110.7	S2271 T2275	S2271-Y2273 VanDerWaalsContact C-N 3.26Å; S2271-Y2273 PolarHBondContact O-N 3.21Å; S2271-Y2273 VanDerWaalsContact O-N 3.13Å; Y2273-T2275 PolarHBondContact O-N 2.71Å; Y2273-T2275 VanDerWaalsContact O-N 3.09Å
2274	F	27.1	Very low	29.2	Very low	181.75 Å²	181.75	144.7 Å²	144.7	80%	0.797	78%	0.777	S	S	*	*			trans	-89.3	104.6	173	-104.1	-96.9	0	0	0	109.5	N2272 R2276	N2272-F2274 PolarHBondContact O-N 3.08Å; N2272-F2274 VanDerWaalsContact O-N 3.12Å; F2274-R2276 HydrophobicContact CD1-CG 4.3Å; F2274-R2276 PolarHBondContact O-N 3.23Å
2275	T	29.5	Very low	29.4	Very low	130.5 Å²	130.5	145.1 Å²	145.1	80%	0.801	77%	0.774	S	S	*	*			trans	-88.7	102.8	154.9	1.9	0	0	0	0	109.1	Y2273 I2277	Y2273-T2275 PolarHBondContact O-N 2.71Å; Y2273-T2275 VanDerWaalsContact O-N 3.09Å; T2275-I2277 HydrophobicContact CG2-CG1 4.3Å; T2275-I2277 PolarHBondContact O-N 2.99Å
2276	R	28	Very low	29.4	Very low	211.25 Å²	211.25	149.8 Å²	149.8	80%	0.797	78%	0.777	S	S	*	*			trans	-78.4	104.9	168.7	-75.4	-176.1	176.1	-176.9	-1	108.9	F2274 L2278	F2274-R2276 HydrophobicContact CD1-CG 4.3Å; F2274-R2276 PolarHBondContact O-N 3.23Å; R2276-L2278 HydrophobicContact CB-CG 4.35Å; R2276-L2278 PolarHBondContact O-N 3.27Å
2277	I	30.2	Very low	29.8	Very low	137 Å²	137	149.5 Å²	149.5	70%	0.703	77%	0.773	S	S	*	*			trans	-89.3	101.6	153.8	-56	179.9	0	0	0	107.1	T2275 Q2279	T2275-I2277 HydrophobicContact CG2-CG1 4.3Å; T2275-I2277 PolarHBondContact O-N 2.99Å; I2277-Q2279 VanDerWaalsContact C-N 3.3Å; I2277-Q2279 HydrophobicContact CG2-CB 4.41Å; I2277-Q2279 HydrophobicContact CG2-CG 4.09Å; I2277-Q2279 PolarHBondContact O-N 2.97Å
2278	L	28.9	Very low	29.9	Very low	156.25 Å²	156.25	154.3 Å²	154.3	82%	0.818	78%	0.78	S	S	*	*			trans	-92.5	82.6	163.7	-78.2	174.6	0	0	0	108	R2276 M2280	R2276-L2278 HydrophobicContact CB-CG 4.35Å; R2276-L2278 PolarHBondContact O-N 3.27Å; L2278-M2280 PolarHBondContact O-N 2.84Å; L2278-M2280 VanDerWaalsContact O-N 3.13Å
2279	Q	29.4	Very low	30.1	Very low	160.5 Å²	160.5	152.8 Å²	152.8	75%	0.75	78%	0.781	S	S	*	*			trans	-89.4	116.8	168.4	-96	-177.5	-47.4	0	0	107.9	I2277 E2281	I2277-Q2279 VanDerWaalsContact C-N 3.3Å; I2277-Q2279 HydrophobicContact CG2-CB 4.41Å; I2277-Q2279 HydrophobicContact CG2-CG 4.09Å; I2277-Q2279 PolarHBondContact O-N 2.97Å; Q2279-E2281 PolarHBondContact NE2-OE2 2.7Å; Q2279-E2281 PolarHBondContact O-N 3.13Å
2280	M	27.2	Very low	30.4	Very low	161.75 Å²	161.75	152.2 Å²	152.2	80%	0.797	78%	0.78	S	S	*	*			trans	-107.4	88.2	-178.7	-160.7	140.4	146.7	0	0	110.1	K2237 L2278 T2282	K2237-M2280 PolarHBondContact NZ-SD 2.98Å; L2278-M2280 PolarHBondContact O-N 2.84Å; L2278-M2280 VanDerWaalsContact O-N 3.13Å; M2280-T2282 PolarHBondContact O-N 2.92Å
2281	E	29	Very low	30.4	Very low	172.75 Å²	172.75	151.4 Å²	151.4	81%	0.807	78%	0.784	S	S	*	*			trans	-92.3	99.3	174.1	-92	-177.2	138.2	0	0	110	Q2279 I2283	Q2279-E2281 PolarHBondContact NE2-OE2 2.7Å; Q2279-E2281 PolarHBondContact O-N 3.13Å; E2281-I2283 PolarHBondContact O-N 3.41Å; E2281-I2283 VanDerWaalsContact O-N 3.15Å
2282	T	30.2	Very low	30.7	Very low	117.5 Å²	117.5	152.4 Å²	152.4	72%	0.721	79%	0.785	S	S	*	*			trans	47.2	116.9	141.7	46	0	0	0	0	113.6	M2280 P2284	M2280-T2282 PolarHBondContact O-N 2.92Å; T2282-P2284 WeakPolarHBondContact O-CD 3.39Å
2283	I	32.1	Very low	30.8	Very low	154.25 Å²	154.25	150.5 Å²	150.5	79%	0.791	78%	0.782	S	S	*	*			trans	-91.5	125.8	155.7	-67.6	167.6	0	0	0	109.1	E2281 D2285	E2281-I2283 PolarHBondContact O-N 3.41Å; E2281-I2283 VanDerWaalsContact O-N 3.15Å; I2283-D2285 PolarHBondContact O-N 2.78Å; I2283-D2285 VanDerWaalsContact O-N 3.08Å
2284	P	31.8	Very low	30.9	Very low	114.5 Å²	114.5	146 Å²	146	74%	0.744	77%	0.773	S	S	*	*			trans	-99.4	129.9	161.8	35.1	-30.7	0	0	0	113.4	T2282 K2286	T2282-P2284 WeakPolarHBondContact O-CD 3.39Å; P2284-K2286 PolarHBondContact O-N 2.72Å
2285	D	33.2	Very low	31.3	Very low	142 Å²	142	142.7 Å²	142.7	76%	0.759	77%	0.768	S	S	*	*			trans	-96.9	111.4	166.9	-102	-27.8	0	0	0	114.5	I2283 P2287	I2283-D2285 PolarHBondContact O-N 2.78Å; I2283-D2285 VanDerWaalsContact O-N 3.08Å; D2285-P2287 WeakPolarHBondContact O-CD 3.31Å
2286	K	29.6	Very low	31.5	Very low	190.25 Å²	190.25	143.7 Å²	143.7	83%	0.827	77%	0.767	S	S	*	*			trans	-64.8	129.3	162.2	-69.1	172.2	-178	162.5	0	113.9	P2284 K2288	P2284-K2286 PolarHBondContact O-N 2.72Å; K2286-K2288 PolarHBondContact O-N 2.82Å; K2286-K2288 VanDerWaalsContact O-N 3.08Å
2287	P	35.5	Very low	31.8	Very low	119.25 Å²	119.25	142.3 Å²	142.3	77%	0.774	77%	0.767	S	S	*	*			trans	-106.2	134.8	163.6	23.8	-13.4	0	0	0	112	D2285	D2285-P2287 WeakPolarHBondContact O-CD 3.31Å
2288	K	30.5	Very low	31.9	Very low	203 Å²	203	142.2 Å²	142.2	88%	0.883	77%	0.767	S	S	*	*			trans	-97.5	123.1	153	-77.4	171.5	-178.7	174.9	0	112	K2286	K2286-K2288 PolarHBondContact O-N 2.82Å; K2286-K2288 VanDerWaalsContact O-N 3.08Å
2289	A	32.8	Very low	32.1	Very low	96.5 Å²	96.5	143.9 Å²	143.9	80%	0.798	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-84.4	154.2	165.4	0	0	0	0	0	110.6
2290	P	35	Very low	32.2	Very low	118 Å²	118	145.6 Å²	145.6	77%	0.766	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-110	146.9	145	24	-11	0	0	0	113.3
2291	D	30	Very low	32.5	Very low	156.5 Å²	156.5	144.9 Å²	144.9	84%	0.837	76%	0.758	S	S	*	*			trans	-52.4	144.8	161.9	-61.8	-58.7	0	0	0	114.2
2292	T	35.5	Very low	32.6	Very low	128.25 Å²	128.25	142.3 Å²	142.3	79%	0.787	76%	0.76	S	S	*	*				-154	149.3	119.4	-18.1	0	0	0	0	110.5
2293	S	31	Very low	32.7	Very low	82.5 Å²	82.5	139.8 Å²	139.8	58%	0.577	76%	0.756	S	S	*	*			trans	-93.8	167.7	-175.4	55.8	0	0	0	0	113.2
2294	D	32.4	Very low	32.7	Very low	131.75 Å²	131.75	143.1 Å²	143.1	71%	0.705	76%	0.761	S	S	*	*				132.9	165	115.6	-88.4	-62.4	0	0	0	116.2
2295	V	36.3	Very low	32.6	Very low	113 Å²	113	148.5 Å²	148.5	69%	0.685	77%	0.766	S	S	*	*			trans	95.5	103.8	144.9	-169.7	0	0	0	0	116.9	K2297	V2295-K2297 HydrophobicContact CG1-CB 4.23Å
2296	L	33.7	Very low	32.5	Very low	150.5 Å²	150.5	146 Å²	146	79%	0.788	77%	0.765	S	S	*	*				59.5	95.1	120.4	-83.6	169.6	0	0	0	120.6
2297	K	32.6	Very low	32.5	Very low	183 Å²	183	146.8 Å²	146.8	80%	0.796	77%	0.769	S	S	*	*				44.9	140.6	125.7	-75.3	168.8	-177.9	171	0	115.3	V2295	V2295-K2297 HydrophobicContact CG1-CB 4.23Å
2298	L	33.2	Very low	32.3	Very low	133.5 Å²	133.5	144.6 Å²	144.6	70%	0.699	77%	0.768	S	S	*	*				173.4	156.1	103	-95.9	170.1	0	0	0	114.5
2299	Y	33.7	Very low	32.4	Very low	193.25 Å²	193.25	143.4 Å²	143.4	76%	0.758	77%	0.765	S	S	*	*			trans	73.9	108	146.9	-77.1	-63.7	0	0	0	119.9
2300	R	31.9	Very low	32.2	Very low	195 Å²	195	143.4 Å²	143.4	74%	0.736	76%	0.759	S	S	*	*				-33.2	142.1	108	-170	-170.5	-81.3	-174.4	-1.8	115.4
2301	E	31.7	Very low	32.2	Very low	147.5 Å²	147.5	147.8 Å²	147.8	69%	0.689	76%	0.761	S	S	*	*				100.9	146.6	117.2	-108.1	157.6	179.1	0	0	117.8
2302	S	32.7	Very low	32.1	Very low	119 Å²	119	147.3 Å²	147.3	83%	0.832	76%	0.758	S	S	*	*				123.5	166.8	116.3	63.9	0	0	0	0	114.8
2303	G	31.1	Very low	32	Very low	63.25 Å²	63.25	147.5 Å²	147.5	65%	0.652	76%	0.759	S	S	*	*				145	94.7	65.4	0	0	0	0	0	119.3
2304	Y	32.5	Very low	32	Very low	225.5 Å²	225.5	151.4 Å²	151.4	88%	0.884	77%	0.768	S	S	*	*			trans	56.5	142.9	160	-64.7	-81.5	0	0	0	120.6
2305	R	30.2	Very low	31.8	Very low	227 Å²	227	151.1 Å²	151.1	86%	0.857	77%	0.771	S	S	*	*			trans	35.5	146.8	130.6	-115	-178.5	-146.5	-101.1	5.5	116.7
2306	A	30.3	Very low	31.5	Very low	89.5 Å²	89.5	152.3 Å²	152.3	74%	0.74	77%	0.773	S	S	*	*			trans	-163.7	153.4	135.9	0	0	0	0	0	113.4
2307	K	30.4	Very low	31.4	Very low	207.5 Å²	207.5	149.1 Å²	149.1	90%	0.902	77%	0.769	S	S	*	*			trans	137.6	136.3	162	-77	-172.8	174.1	-171.6	0	113.4
2308	G	30.8	Very low	31.4	Very low	73.25 Å²	73.25	149.3 Å²	149.3	76%	0.755	77%	0.77	S	S	*	*			trans	-175.5	135.4	164.5	0	0	0	0	0	110.2
2309	E	32.4	Very low	31.4	Very low	176.25 Å²	176.25	150.2 Å²	150.2	82%	0.824	78%	0.775	S	S	*	*			trans	-136.1	136.6	154.8	-84.7	-175.5	175.4	0	0	111.5	R2311	E2309-R2311 IonicContact OE1-NH2 3.26Å; E2309-R2311 IonicContact OE2-CZ 2.69Å; E2309-R2311 IonicContact OE2-NE 3.47Å; E2309-R2311 PolarHBondContact OE2-NE 3.35Å; E2309-R2311 IonicContact OE2-NH2 3.08Å; E2309-R2311 PolarHBondContact OE2-NH2 2.89Å
2310	S	29	Very low	31.3	Very low	97 Å²	97	148.4 Å²	148.4	68%	0.678	78%	0.778	S	S	*	*			trans	-116.1	138.4	158.1	73.4	0	0	0	0	112.3
2311	R	33.6	Very low	31.3	Very low	211.5 Å²	211.5	142.5 Å²	142.5	80%	0.798	78%	0.777	S	S	*	*			trans	-169.6	142.2	146.5	-76.6	179.1	-149.9	-160.4	2.6	112.3	E2309	E2309-R2311 IonicContact OE1-NH2 3.26Å; E2309-R2311 IonicContact OE2-CZ 2.69Å; E2309-R2311 IonicContact OE2-NE 3.47Å; E2309-R2311 PolarHBondContact OE2-NE 3.35Å; E2309-R2311 IonicContact OE2-NH2 3.08Å; E2309-R2311 PolarHBondContact OE2-NH2 2.89Å
2312	D	29.8	Very low	31.2	Very low	145.75 Å²	145.75	140.3 Å²	140.3	78%	0.779	78%	0.778	S	S	*	*			trans	-92.6	154.4	170.3	-65.6	-74.8	0	0	0	111.8
2313	V	31.9	Very low	31.1	Very low	132.75 Å²	132.75	142.1 Å²	142.1	81%	0.805	78%	0.777	S	S	*	*			trans	147.1	127	154.3	-176.9	0	0	0	0	111.8
2314	Q	31.1	Very low	31.1	Very low	163 Å²	163	147.3 Å²	147.3	76%	0.762	78%	0.784	S	S	*	*				-119.2	143.4	87.7	-169.7	164.9	-25	0	0	114.6	D2316	Q2314-D2316 PolarHBondContact NE2-OD2 2.95Å
2315	T	27.7	Very low	30.9	Very low	127 Å²	127	143.6 Å²	143.6	78%	0.779	78%	0.779	S	S	*	*			trans	-91.4	149.8	165	40.8	0	0	0	0	112
2316	D	31.8	Very low	31.1	Very low	136.25 Å²	136.25	138.1 Å²	138.1	73%	0.729	77%	0.773	S	S	*	*			trans	-120.6	145.7	142.6	-84.5	-49.5	0	0	0	111.4	Q2314	Q2314-D2316 PolarHBondContact NE2-OD2 2.95Å
2317	A	31.4	Very low	31.1	Very low	84.25 Å²	84.25	142.3 Å²	142.3	70%	0.696	78%	0.777	S	S	*	*			trans	156.1	139.1	159	0	0	0	0	0	113.3
2318	F	31.7	Very low	31.1	Very low	186.75 Å²	186.75	137.1 Å²	137.1	82%	0.819	77%	0.767	S	S	*	*			trans	-147.8	128.9	158.2	-78.2	-91.1	0	0	0	113.8
2319	L	33.3	Very low	31.2	Very low	152.75 Å²	152.75	142.6 Å²	142.6	80%	0.8	77%	0.77	S	S	*	*			trans	-135.1	145.5	142.6	-89	-179.1	0	0	0	113.2	G2321	L2319-G2321 PolarHBondContact O-N 2.91Å
2320	L	31.5	Very low	31.1	Very low	156.5 Å²	156.5	143 Å²	143	82%	0.819	77%	0.772	S	S	*	*			trans	-91	132.7	169.7	-125.2	64.7	0	0	0	112.7	S2322	L2320-S2322 PolarHBondContact O-N 2.92Å; L2320-S2322 VanDerWaalsContact O-N 3.09Å
2321	G	31.4	Very low	31.4	Very low	70 Å²	70	144.7 Å²	144.7	72%	0.722	78%	0.778	S	S	*	*			trans	-166.4	100.3	165.6	0	0	0	0	0	112.8	L2319 I2323	L2319-G2321 PolarHBondContact O-N 2.91Å; G2321-I2323 PolarHBondContact O-N 2.9Å
2322	S	29.8	Very low	31.3	Very low	102.5 Å²	102.5	142.4 Å²	142.4	72%	0.717	78%	0.781	S	S	*	*			trans	-70.5	133.5	151.1	-64.2	0	0	0	0	110.7	L2320 Q2324	L2320-S2322 PolarHBondContact O-N 2.92Å; L2320-S2322 VanDerWaalsContact O-N 3.09Å; S2322-Q2324 PolarHBondContact O-N 2.83Å
2323	I	31.4	Very low	31.5	Very low	156.25 Å²	156.25	138.9 Å²	138.9	80%	0.801	78%	0.78	S	S	*	*			trans	-101.1	127.8	150.5	-59.9	165.4	0	0	0	110.4	G2321 L2325	G2321-I2323 PolarHBondContact O-N 2.9Å; I2323-L2325 HydrophobicContact CG2-CB 4.47Å; I2323-L2325 HydrophobicContact CG2-CD1 3.92Å; I2323-L2325 PolarHBondContact O-N 3.06Å
2324	Q	30.7	Very low	31.4	Very low	171.5 Å²	171.5	139.9 Å²	139.9	80%	0.801	79%	0.786	S	S	*	*			trans	-141.1	124.5	-178.8	-161.3	121.8	22.9	0	0	112	S2322	S2322-Q2324 PolarHBondContact O-N 2.83Å
2325	L	29.4	Very low	31.5	Very low	148.25 Å²	148.25	135.4 Å²	135.4	78%	0.776	78%	0.783	S	S	*	*			trans	-104.1	152.1	170	-111.3	89	0	0	0	111.2	I2323	I2323-L2325 HydrophobicContact CG2-CB 4.47Å; I2323-L2325 HydrophobicContact CG2-CD1 3.92Å; I2323-L2325 PolarHBondContact O-N 3.06Å
2326	P	33.8	Very low	31.7	Very low	111.5 Å²	111.5	138.8 Å²	138.8	72%	0.724	79%	0.787	S	S	*	*				-114.3	157	-107.1	30.7	-18	0	0	0	113.1	S2328	P2326-S2328 VanDerWaalsContact C-N 3.32Å; P2326-S2328 PolarHBondContact O-N 2.96Å
2327	E	29.6	Very low	31.7	Very low	177.25 Å²	177.25	140 Å²	140	83%	0.828	79%	0.792	S	S	*	*			trans	-75.1	128.4	161.2	-67.9	-178	137.9	0	0	113.4	K2329 M2358	E2327-K2329 PolarHBondContact O-N 2.94Å; E2327-M2358 WeakPolarHBondContact O-CE 3.31Å
2328	S	31.3	Very low	31.7	Very low	98.5 Å²	98.5	141.3 Å²	141.3	69%	0.689	80%	0.796	S	S	*	*			trans	-112.6	127.5	150.1	60.8	0	0	0	0	114.8	P2326 M2358	P2326-S2328 VanDerWaalsContact C-N 3.32Å; P2326-S2328 PolarHBondContact O-N 2.96Å; S2328-M2358 WeakPolarHBondContact OG-CE 3.36Å
2329	K	33.6	Very low	31.6	Very low	189 Å²	189	140.2 Å²	140.2	82%	0.822	79%	0.791	S	S	*	*			trans	-98.4	155.3	155.5	-75.5	175.3	-179.5	-179.5	0	115.1	E2327 V2331	E2327-K2329 PolarHBondContact O-N 2.94Å; K2329-V2331 PolarHBondContact O-N 3.14Å
2330	E	29	Very low	31.5	Very low	185.25 Å²	185.25	142.2 Å²	142.2	87%	0.866	79%	0.793	S	S	*	*			trans	-68.3	151.6	178.5	-57.8	152.9	116	0	0	112.6
2331	V	34.8	Very low	31.3	Very low	132 Å²	132	140 Å²	140	80%	0.8	79%	0.786	S	S	*	*			trans	-168.1	127.7	139.2	168.6	0	0	0	0	109.5	K2329 G2333	K2329-V2331 PolarHBondContact O-N 3.14Å; V2331-G2333 PolarHBondContact O-N 2.62Å; V2331-G2333 VanDerWaalsContact O-N 3.14Å
2332	D	31.6	Very low	31.2	Very low	164 Å²	164	142 Å²	142	88%	0.877	79%	0.785	S	S	*	*			trans	-18.1	141.2	169.5	-69.1	-46.6	0	0	0	118.4
2333	G	34.3	Very low	31.1	Very low	72.25 Å²	72.25	143.9 Å²	143.9	75%	0.745	79%	0.785	S	S	*	*			trans	-171.4	55.4	175.7	0	0	0	0	0	117	V2331 G2335	V2331-G2333 PolarHBondContact O-N 2.62Å; V2331-G2333 VanDerWaalsContact O-N 3.14Å; G2333-G2335 PolarHBondContact O-N 2.98Å
2334	V	31.1	Very low	31	Very low	152.5 Å²	152.5	141.7 Å²	141.7	92%	0.924	78%	0.779	S	S	*	*			trans	-19.6	108.9	174	-176.8	0	0	0	0	115.5
2335	G	32.4	Very low	30.9	Very low	69.5 Å²	69.5	141.8 Å²	141.8	72%	0.716	78%	0.78	S	S	*	*			trans	-154.1	90.4	167.9	0	0	0	0	0	116.1	G2333 I2337	G2333-G2335 PolarHBondContact O-N 2.98Å; G2335-I2337 PolarHBondContact O-N 3.33Å
2336	K	32.4	Very low	30.9	Very low	197.75 Å²	197.75	142.6 Å²	142.6	86%	0.86	78%	0.783	S	S	*	*			trans	-69.7	130.2	165.1	-73.7	172	-179.4	-179.3	0	113.5	S2338	K2336-S2338 PolarHBondContact O-N 3.01Å; K2336-S2338 VanDerWaalsContact O-N 3.1Å
2337	I	30.3	Very low	30.8	Very low	162.75 Å²	162.75	145.8 Å²	145.8	84%	0.835	79%	0.789	S	S	*	*			trans	-94	123	162.2	-66.6	166.6	0	0	0	110.2	G2335 K2339	G2335-I2337 PolarHBondContact O-N 3.33Å; I2337-K2339 HydrophobicContact CG2-CG 4.45Å; I2337-K2339 PolarHBondContact O-N 3.35Å; I2337-K2339 VanDerWaalsContact O-N 3.11Å
2338	S	32.8	Very low	30.8	Very low	110 Å²	110	146 Å²	146	77%	0.769	79%	0.787	S	S	*	*			trans	-83.1	112.8	169.7	-173.1	0	0	0	0	112.4	K2336 K2340	K2336-S2338 PolarHBondContact O-N 3.01Å; K2336-S2338 VanDerWaalsContact O-N 3.1Å; S2338-K2340 PolarHBondContact O-N 3.04Å
2339	K	30.1	Very low	30.7	Very low	164.5 Å²	164.5	148 Å²	148	72%	0.715	79%	0.789	S	S	*	*			trans	-69.8	119.7	173.2	-71	-176.1	179.3	177.5	0	110.4	I2337 T2341 E2788	I2337-K2339 HydrophobicContact CG2-CG 4.45Å; I2337-K2339 PolarHBondContact O-N 3.35Å; I2337-K2339 VanDerWaalsContact O-N 3.11Å; K2339-T2341 VanDerWaalsContact C-N 3.34Å; K2339-T2341 PolarHBondContact O-N 2.92Å; K2339-E2788 IonicContact NZ-OE2 2.66Å; K2339-E2788 PolarHBondContact NZ-OE2 2.97Å
2340	K	30.2	Very low	30.5	Very low	193.5 Å²	193.5	144.4 Å²	144.4	84%	0.841	78%	0.783	S	S	*	*			trans	-112.1	105.5	166.5	-164.5	179.9	-176.1	-176.4	0	108.8	S2338 T2342	S2338-K2340 PolarHBondContact O-N 3.04Å; K2340-T2342 PolarHBondContact O-N 3.26Å; K2340-T2342 VanDerWaalsContact O-N 3.14Å
2341	T	27.5	Very low	30.7	Very low	110.5 Å²	110.5	141.1 Å²	141.1	68%	0.678	78%	0.776	S	S	*	*			trans	-73.1	116.9	178.2	-55.4	0	0	0	0	110	K2339 I2343	K2339-T2341 VanDerWaalsContact C-N 3.34Å; K2339-T2341 PolarHBondContact O-N 2.92Å; T2341-I2343 VanDerWaalsContact C-N 3.3Å; T2341-I2343 HydrophobicContact CG2-CG1 4.21Å; T2341-I2343 PolarHBondContact O-N 3.05Å
2342	T	29.8	Very low	30.5	Very low	113 Å²	113	141.3 Å²	141.3	69%	0.693	77%	0.772	S	S	*	*			trans	-92.2	118.6	166.9	-57	0	0	0	0	108.8	K2340 V2344	K2340-T2342 PolarHBondContact O-N 3.26Å; K2340-T2342 VanDerWaalsContact O-N 3.14Å; T2342-V2344 VanDerWaalsContact C-N 3.33Å; T2342-V2344 HydrophobicContact CG2-CG2 4.05Å; T2342-V2344 PolarHBondContact O-N 3.31Å
2343	I	27.5	Very low	30.6	Very low	141.25 Å²	141.25	142.1 Å²	142.1	72%	0.724	77%	0.768	S	S	*	*			trans	-86.2	121.4	164.3	-62.1	175.2	0	0	0	107	T2341 Q2345	T2341-I2343 VanDerWaalsContact C-N 3.3Å; T2341-I2343 HydrophobicContact CG2-CG1 4.21Å; T2341-I2343 PolarHBondContact O-N 3.05Å; I2343-Q2345 VanDerWaalsContact C-N 3.26Å; I2343-Q2345 HydrophobicContact CG2-CG 4.28Å; I2343-Q2345 PolarHBondContact O-N 2.85Å
2344	V	29.5	Very low	30.2	Very low	110.5 Å²	110.5	144.3 Å²	144.3	67%	0.67	77%	0.771	S	S	*	*			trans	-95.4	107.2	173.5	-178.1	0	0	0	0	107.2	T2342 L2346	T2342-V2344 VanDerWaalsContact C-N 3.33Å; T2342-V2344 HydrophobicContact CG2-CG2 4.05Å; T2342-V2344 PolarHBondContact O-N 3.31Å; V2344-L2346 HydrophobicContact CG1-CD1 3.96Å; V2344-L2346 HydrophobicContact CG1-CG 4.38Å; V2344-L2346 PolarHBondContact O-N 3.22Å; V2344-L2346 VanDerWaalsContact O-N 3.08Å
2345	Q	28.4	Very low	30.3	Very low	175 Å²	175	143.1 Å²	143.1	82%	0.818	76%	0.764	S	S	*	*			trans	-58	115.8	143.3	-74.2	-177.2	-67.8	0	0	108.7	I2343 E2347	I2343-Q2345 VanDerWaalsContact C-N 3.26Å; I2343-Q2345 HydrophobicContact CG2-CG 4.28Å; I2343-Q2345 PolarHBondContact O-N 2.85Å; Q2345-E2347 PolarHBondContact O-N 3.04Å
2346	L	28.3	Very low	30.1	Very low	163.75 Å²	163.75	146.6 Å²	146.6	86%	0.857	77%	0.766	S	S	*	*			trans	-69.9	118	163.4	-82.3	84.9	0	0	0	108.1	V2344 K2348	V2344-L2346 HydrophobicContact CG1-CD1 3.96Å; V2344-L2346 HydrophobicContact CG1-CG 4.38Å; V2344-L2346 PolarHBondContact O-N 3.22Å; V2344-L2346 VanDerWaalsContact O-N 3.08Å; L2346-K2348 VanDerWaalsContact C-N 3.34Å; L2346-K2348 PolarHBondContact O-N 2.89Å
2347	E	32.1	Very low	30.2	Very low	178 Å²	178	143.2 Å²	143.2	83%	0.832	76%	0.762	S	S	*	*			trans	-83.5	123.8	167.7	-170	164.3	-145.9	0	0	109.5	Q2345 L2349	Q2345-E2347 PolarHBondContact O-N 3.04Å; E2347-L2349 HydrophobicContact CG-CB 4.4Å; E2347-L2349 HydrophobicContact CG-CD1 4.15Å; E2347-L2349 PolarHBondContact O-N 3.19Å
2348	K	29	Very low	30.1	Very low	182.75 Å²	182.75	141.9 Å²	141.9	80%	0.795	75%	0.754	S	S	*	*			trans	-82	117	-173.6	-171.7	-173.8	179.2	-176.1	0	109.6	L2346 T2350	L2346-K2348 VanDerWaalsContact C-N 3.34Å; L2346-K2348 PolarHBondContact O-N 2.89Å; K2348-T2350 HydrophobicContact CD-CG2 4.17Å; K2348-T2350 HydrophobicContact CG-CG2 4.15Å; K2348-T2350 WeakPolarHBondContact O-CG2 3.35Å; K2348-T2350 PolarHBondContact O-N 2.96Å
2349	L	29.2	Very low	30.2	Very low	140.25 Å²	140.25	142 Å²	142	73%	0.734	75%	0.751	S	S	*	*			trans	-49.8	115.5	174.4	-137.2	90.8	0	0	0	112.3	E2347 T2351	E2347-L2349 HydrophobicContact CG-CB 4.4Å; E2347-L2349 HydrophobicContact CG-CD1 4.15Å; E2347-L2349 PolarHBondContact O-N 3.19Å; L2349-T2351 VanDerWaalsContact C-N 3.33Å; L2349-T2351 HydrophobicContact CD1-CG2 3.82Å; L2349-T2351 HydrophobicContact CD2-CG2 3.99Å; L2349-T2351 HydrophobicContact CG-CG2 3.73Å; L2349-T2351 PolarHBondContact O-N 3.26Å
2350	T	30.6	Very low	30.3	Very low	112.5 Å²	112.5	142.9 Å²	142.9	69%	0.69	76%	0.756	S	S	*	*			trans	-114.4	109	-174.8	43.1	0	0	0	0	109.6	K2348 D2352	K2348-T2350 HydrophobicContact CD-CG2 4.17Å; K2348-T2350 HydrophobicContact CG-CG2 4.15Å; K2348-T2350 WeakPolarHBondContact O-CG2 3.35Å; K2348-T2350 PolarHBondContact O-N 2.96Å; T2350-D2352 VanDerWaalsContact C-N 3.35Å; T2350-D2352 PolarHBondContact O-N 3.37Å
2351	T	32.9	Very low	30.4	Very low	116 Å²	116	141.4 Å²	141.4	71%	0.712	75%	0.752	S	S	*	*			trans	-83	118.2	160.2	36.9	0	0	0	0	112.1	L2349 K2353	L2349-T2351 VanDerWaalsContact C-N 3.33Å; L2349-T2351 HydrophobicContact CD1-CG2 3.82Å; L2349-T2351 HydrophobicContact CD2-CG2 3.99Å; L2349-T2351 HydrophobicContact CG-CG2 3.73Å; L2349-T2351 PolarHBondContact O-N 3.26Å; T2351-K2353 PolarHBondContact O-N 3Å; T2351-K2353 VanDerWaalsContact O-N 3.07Å
2352	D	31	Very low	30.6	Very low	136.5 Å²	136.5	145.1 Å²	145.1	73%	0.73	76%	0.758	S	S	*	*			trans	-119.8	146.4	174.5	-114.2	-28.6	0	0	0	110.8	T2350	T2350-D2352 VanDerWaalsContact C-N 3.35Å; T2350-D2352 PolarHBondContact O-N 3.37Å
2353	K	33	Very low	30.6	Very low	180.75 Å²	180.75	142.9 Å²	142.9	79%	0.786	76%	0.758	S	S	*	*			trans	83.6	104.8	151.1	-62.2	-158.2	179.5	-167.3	0	116.3	T2351	T2351-K2353 PolarHBondContact O-N 3Å; T2351-K2353 VanDerWaalsContact O-N 3.07Å
2354	C	26.7	Very low	30.7	Very low	119.75 Å²	119.75	143.8 Å²	143.8	81%	0.809	76%	0.764	S	S	*	*				-24.5	132.6	127.4	-50.5	0	0	0	0	113.8
2355	V	32.2	Very low	30.9	Very low	127.5 Å²	127.5	145 Å²	145	77%	0.773	77%	0.765	S	S	*	*			trans	-145.2	120.8	142.8	171	0	0	0	0	108.5	T2357	V2355-T2357 PolarHBondContact O-N 2.77Å
2356	D	29.7	Very low	31	Very low	141.5 Å²	141.5	144.3 Å²	144.3	76%	0.757	76%	0.762	S	S	*	*			trans	-18.1	140.1	159.9	-57.4	-59.8	0	0	0	116
2357	T	33.6	Very low	31.2	Very low	126.75 Å²	126.75	141.3 Å²	141.3	78%	0.778	76%	0.755	S	S	*	*				-158	124.9	88	-71.3	0	0	0	0	111	V2355	V2355-T2357 PolarHBondContact O-N 2.77Å
2358	M	29.1	Very low	31	Very low	136 Å²	136	141 Å²	141	67%	0.67	75%	0.753	S	S	*	*			trans	-59	140.1	168.8	-74.5	-83.1	-72.8	0	0	114.7	E2327 S2328 F2360	E2327-M2358 WeakPolarHBondContact O-CE 3.31Å; S2328-M2358 WeakPolarHBondContact OG-CE 3.36Å; M2358-F2360 PolarHBondContact O-N 3.4Å
2359	P	33.3	Very low	31.2	Very low	110.75 Å²	110.75	138.6 Å²	138.6	72%	0.719	75%	0.754	S	S	*	*			trans	-105.2	148.3	156	36.8	-30	0	0	0	114.7	E2361	P2359-E2361 PolarHBondContact O-N 2.96Å
2360	F	31.9	Very low	31.2	Very low	184 Å²	184	136.5 Å²	136.5	81%	0.807	75%	0.752	S	S	*	*			trans	-130.7	133.3	161.2	-98.3	-73.6	0	0	0	115.4	M2358 K2362	M2358-F2360 PolarHBondContact O-N 3.4Å; F2360-K2362 PolarHBondContact O-N 2.85Å
2361	E	32.4	Very low	31.1	Very low	162.75 Å²	162.75	140.8 Å²	140.8	76%	0.761	76%	0.756	S	S	*	*			trans	-94.1	158.4	173.3	-145.6	-142.5	162.9	0	0	113.6	P2359	P2359-E2361 PolarHBondContact O-N 2.96Å
2362	K	32.5	Very low	31.1	Very low	187.25 Å²	187.25	142.1 Å²	142.1	81%	0.814	75%	0.754	S	S	*	*			trans	-173.3	141.7	-178.2	-96.4	164.5	-173.3	156.8	0	109.4	F2360	F2360-K2362 PolarHBondContact O-N 2.85Å
2363	G	30.6	Very low	31.1	Very low	67.25 Å²	67.25	141.7 Å²	141.7	69%	0.693	75%	0.752	S	S	*	*				119.2	114.4	105.6	0	0	0	0	0	110.9
2364	L	29.5	Very low	31	Very low	159.75 Å²	159.75	139.6 Å²	139.6	84%	0.836	75%	0.748	S	S	*	*				93.2	139.6	79.6	-126.9	73.1	0	0	0	112.2
2365	I	33	Very low	31.3	Very low	135.25 Å²	135.25	142.1 Å²	142.1	69%	0.694	75%	0.748	S	S	*	*				141.4	130.7	86.2	-74	167.8	0	0	0	112.5
2366	E	30.1	Very low	31.3	Very low	160.5 Å²	160.5	142.1 Å²	142.1	75%	0.75	75%	0.748	S	S	*	*				31.8	138.2	97.4	-76.9	173.3	143.6	0	0	116.8
2367	S	31.9	Very low	31.4	Very low	101 Å²	101	140.6 Å²	140.6	71%	0.706	75%	0.749	S	S	*	*				170.5	138.6	82.8	51.9	0	0	0	0	115.5
2368	Q	29.4	Very low	31.4	Very low	171.25 Å²	171.25	141.1 Å²	141.1	80%	0.8	74%	0.742	S	S	*	*				64.7	120.2	121.6	-68.2	-172.6	39.4	0	0	123.1
2369	T	31.7	Very low	31.6	Very low	132.75 Å²	132.75	143.4 Å²	143.4	81%	0.814	74%	0.744	S	S	*	*			trans	94.6	144.7	149.4	57.9	0	0	0	0	116.4
2370	S	29.9	Very low	31.5	Very low	97.75 Å²	97.75	147.9 Å²	147.9	68%	0.684	75%	0.746	S	S	*	*			cis	135.6	131.4	-12.1	172.6	0	0	0	0	112.9
2371	Y	29.3	Very low	31.5	Very low	201.5 Å²	201.5	146 Å²	146	79%	0.79	74%	0.744	S	S	*	*				70.2	137.2	117.3	-83.8	-74	0	0	0	117.6
2372	H	32.8	Very low	31.6	Very low	143 Å²	143	144.1 Å²	144.1	66%	0.662	74%	0.744	S	S	*	*				94.2	131.1	100.2	-86	-70.9	0	0	0	116.3
2373	D	29.8	Very low	31.6	Very low	129 Å²	129	146.2 Å²	146.2	69%	0.69	75%	0.747	S	S	*	*				87.9	141.3	70.2	-109.1	-25.5	0	0	0	117.2
2374	I	32.3	Very low	31.7	Very low	137.25 Å²	137.25	150.5 Å²	150.5	70%	0.704	75%	0.753	S	S	*	*				144.1	132.4	104.4	-83.2	169.9	0	0	0	114
2375	Q	31.3	Very low	32.1	Very low	170.75 Å²	170.75	148.5 Å²	148.5	80%	0.798	75%	0.749	S	S	*	*			trans	-145.3	149.3	152.4	-126.9	-180	41.2	0	0	115.1
2376	T	32.2	Very low	32	Very low	128 Å²	128	150.3 Å²	150.3	79%	0.785	75%	0.752	S	S	*	*			trans	-124.9	138	165.2	48.2	0	0	0	0	114.5
2377	S	32.5	Very low	32.2	Very low	110.5 Å²	110.5	150.4 Å²	150.4	77%	0.773	75%	0.753	S	S	*	*				-159.7	148.7	119.6	-169.5	0	0	0	0	112.5
2378	E	33.5	Very low	32.3	Very low	137 Å²	137	151.2 Å²	151.2	64%	0.64	75%	0.753	S	S	*	*			trans	-143.2	165.7	167.2	-119.2	-163.5	116.1	0	0	113.5
2379	R	33.3	Very low	32.6	Very low	185 Å²	185	148 Å²	148	70%	0.698	75%	0.747	S	S	*	*				142.6	131.9	84.2	-100.9	166.6	-155.2	173.9	2	115.4
2380	R	32.2	Very low	32.4	Very low	204.75 Å²	204.75	152.7 Å²	152.7	77%	0.773	75%	0.75	S	S	*	*			trans	79.4	132.6	139.8	-76	175.7	-156.1	151.6	-1.8	116
2381	N	31.3	Very low	32.7	Very low	143.5 Å²	143.5	152.9 Å²	152.9	77%	0.767	75%	0.749	S	S	*	*				96.3	137.6	97.5	-75.2	-4.6	0	0	0	115.3
2382	V	34.6	Very low	32.7	Very low	123.25 Å²	123.25	152.1 Å²	152.1	75%	0.747	75%	0.753	S	S	*	*			cis	-157.3	135.5	37.6	156.7	0	0	0	0	114.4
2383	R	33	Very low	32.6	Very low	231.75 Å²	231.75	149.7 Å²	149.7	88%	0.875	76%	0.758	S	S	*	*			trans	47	141.1	147.2	-79.8	175.2	170.8	149.6	-2	119.1
2384	L	32.7	Very low	32.6	Very low	157.75 Å²	157.75	152.7 Å²	152.7	83%	0.826	77%	0.768	S	S	*	*				-109.5	159.1	126.3	-86.3	164.5	0	0	0	110.4
2385	P	37.1	Very low	32.6	Very low	116 Å²	116	150.5 Å²	150.5	75%	0.753	77%	0.77	S	S	*	*				-124.1	168.2	124.3	39.8	-27.9	0	0	0	116.3
2386	K	30.7	Very low	32.6	Very low	173.25 Å²	173.25	148.5 Å²	148.5	75%	0.753	77%	0.77	S	S	*	*			trans	115.6	133.4	135.4	-132.8	-176.6	169.4	-151	0	114.3
2387	E	34.8	Very low	32.6	Very low	163.75 Å²	163.75	149.6 Å²	149.6	77%	0.765	77%	0.77	S	S	*	*			trans	-170.6	142.3	140.3	-90.7	172.6	-179	0	0	113.3
2388	T	33.1	Very low	32.6	Very low	117.5 Å²	117.5	149.9 Å²	149.9	72%	0.721	77%	0.767	S	S	*	*			trans	-153.4	168.6	171.5	16.7	0	0	0	0	111.9
2389	P	35.5	Very low	32.6	Very low	104.5 Å²	104.5	149.9 Å²	149.9	68%	0.679	77%	0.771	S	S	*	*				-123.9	177	-91.4	35	-18.6	0	0	0	116.2
2390	W	29.5	Very low	32.6	Very low	230.75 Å²	230.75	147.1 Å²	147.1	87%	0.874	77%	0.766	S	S	*	*			trans	20.3	153.4	153.4	-68.1	83.5	0	0	0	117
2391	P	35.4	Very low	32.7	Very low	101.5 Å²	101.5	143.8 Å²	143.8	66%	0.659	76%	0.764	S	S	*	*			cis	-138.4	171.1	2.4	37.4	-18.9	0	0	0	116.7
2392	E	29.8	Very low	32.8	Very low	185.25 Å²	185.25	143.7 Å²	143.7	87%	0.866	76%	0.762	S	S	*	*			trans	61.7	141.2	151.6	-74.2	179.7	121	0	0	119.7
2393	A	30.7	Very low	32.6	Very low	92.75 Å²	92.75	145.9 Å²	145.9	77%	0.767	76%	0.764	S	S	*	*			trans	177.6	135.2	132.7	0	0	0	0	0	113.4
2394	Q	30	Very low	32.5	Very low	192.75 Å²	192.75	143.8 Å²	143.8	90%	0.901	76%	0.761	S	S	*	*			trans	-17.4	145.8	167.7	-61.6	174.3	6.6	0	0	119
2395	A	31.8	Very low	32.3	Very low	90.25 Å²	90.25	142.1 Å²	142.1	75%	0.746	75%	0.749	S	S	*	*			trans	98.5	115.7	143.8	0	0	0	0	0	119.7
2396	T	31.4	Very low	32.2	Very low	129.75 Å²	129.75	144 Å²	144	80%	0.796	75%	0.751	S	S	*	*			trans	128.8	144.1	145.9	41.2	0	0	0	0	117.3
2397	N	32.3	Very low	32.2	Very low	149.75 Å²	149.75	144.9 Å²	144.9	80%	0.801	75%	0.75	S	S	*	*			trans	136.8	136	154.4	-82.9	-32.8	0	0	0	115.1
2398	V	32.4	Very low	32	Very low	117 Å²	117	144.7 Å²	144.7	71%	0.709	75%	0.749	S	S	*	*				1.1	130.9	123.2	174.4	0	0	0	0	115.1
2399	L	32.2	Very low	31.8	Very low	137.25 Å²	137.25	144.8 Å²	144.8	72%	0.719	75%	0.752	S	S	*	*				144.2	128.8	124.1	-142.8	90.6	0	0	0	115.8	I2402	L2399-I2402 HydrophobicContact CD2-CD1 4.19Å
2400	Q	35.1	Very low	31.4	Very low	125.5 Å²	125.5	147.7 Å²	147.7	59%	0.586	76%	0.756	S	S	*	*			trans	42.4	129.6	157.7	-66.8	152.7	-23.2	0	0	118.9
2401	D	33.1	Very low	31.4	Very low	137 Å²	137	145 Å²	145	73%	0.733	76%	0.755	S	S	*	*			trans	45.1	123.3	134.5	-78.6	-33.1	0	0	0	115.9
2402	I	33.9	Very low	31.1	Very low	140.333 Å²	140.333	146.4 Å²	146.4	72%	0.72	76%	0.756	S	S	*	*				-168.2	114	112	-72.9	171.3	0	0	0	110.3	L2399 F2404	L2399-I2402 HydrophobicContact CD2-CD1 4.19Å; I2402-F2404 HydrophobicContact CG2-CD2 4.2Å; I2402-F2404 HydrophobicContact CG2-CE2 4.31Å; I2402-F2404 PolarHBondContact O-N 3.36Å
2403	Q	30.2	Very low	31.1	Very low	169.667 Å²	169.667	144.4 Å²	144.4	79%	0.793	75%	0.751	S	S	*	*			trans	-39	133.9	170	-64.4	178.2	-45.3	0	0	111.5	E2405	Q2403-E2405 PolarHBondContact O-N 3.42Å
2404	F	31	Very low	31	Very low	188 Å²	188	144.5 Å²	144.5	83%	0.825	75%	0.746	S	S	*	*				-121.3	119.2	128.4	-92.9	-84.6	0	0	0	112.4	I2402 I2406	I2402-F2404 HydrophobicContact CG2-CD2 4.2Å; I2402-F2404 HydrophobicContact CG2-CE2 4.31Å; I2402-F2404 PolarHBondContact O-N 3.36Å; F2404-I2406 PolarHBondContact O-N 2.9Å
2405	E	28.3	Very low	30.9	Very low	122 Å²	122	140.8 Å²	140.8	57%	0.57	74%	0.742	S	S	*	*			trans	-63	127.6	165.7	-171.8	174.2	-155.9	0	0	109	Q2403 R2407	Q2403-E2405 PolarHBondContact O-N 3.42Å; E2405-R2407 HydrophobicContact CG-CG 3.99Å; E2405-R2407 PolarHBondContact O-N 3.09Å; E2405-R2407 IonicContact OE1-CZ 3.15Å; E2405-R2407 VanDerWaalsContact OE1-CZ 3.26Å; E2405-R2407 IonicContact OE1-NE 3.24Å; E2405-R2407 PolarHBondContact OE1-NE 3.22Å; E2405-R2407 IonicContact OE1-NH2 2.94Å; E2405-R2407 PolarHBondContact OE1-NH2 2.82Å; E2405-R2407 VanDerWaalsContact OE2-CG 3.28Å; E2405-R2407 WeakPolarHBondContact OE2-CG 3.3Å; E2405-R2407 IonicContact OE2-CZ 3.28Å; E2405-R2407 IonicContact OE2-NE 3.42Å; E2405-R2407 PolarHBondContact OE2-NE 2.9Å; E2405-R2407 IonicContact OE2-NH2 3.47Å; E2405-R2407 PolarHBondContact OE2-NH2 2.77Å
2406	I	35.2	Very low	30.9	Very low	156 Å²	156	140.1 Å²	140.1	80%	0.8	74%	0.743	S	S	*	*			trans	-113	88.9	137.9	-51.4	-179.4	0	0	0	109.5	F2404 H2408	F2404-I2406 PolarHBondContact O-N 2.9Å; I2406-H2408 VanDerWaalsContact C-N 3.35Å; I2406-H2408 PolarHBondContact O-N 2.85Å; I2406-H2408 PolarHBondContact O-ND1 2.85Å
2407	R	30.6	Very low	30.7	Very low	191 Å²	191	139.1 Å²	139.1	72%	0.721	74%	0.741	S	S	*	*			trans	-92.5	123.9	175	-70.5	-177.5	180	176.7	3.7	108.3	E2405	E2405-R2407 HydrophobicContact CG-CG 3.99Å; E2405-R2407 PolarHBondContact O-N 3.09Å; E2405-R2407 IonicContact OE1-CZ 3.15Å; E2405-R2407 VanDerWaalsContact OE1-CZ 3.26Å; E2405-R2407 IonicContact OE1-NE 3.24Å; E2405-R2407 PolarHBondContact OE1-NE 3.22Å; E2405-R2407 IonicContact OE1-NH2 2.94Å; E2405-R2407 PolarHBondContact OE1-NH2 2.82Å; E2405-R2407 VanDerWaalsContact OE2-CG 3.28Å; E2405-R2407 WeakPolarHBondContact OE2-CG 3.3Å; E2405-R2407 IonicContact OE2-CZ 3.28Å; E2405-R2407 IonicContact OE2-NE 3.42Å; E2405-R2407 PolarHBondContact OE2-NE 2.9Å; E2405-R2407 IonicContact OE2-NH2 3.47Å; E2405-R2407 PolarHBondContact OE2-NH2 2.77Å
2408	H	30.2	Very low	30.5	Very low	159.333 Å²	159.333	143 Å²	143	74%	0.738	75%	0.746	S	S	*	*			trans	-39	152.1	165.6	-69.8	-32.5	0	0	0	111.9	I2406 Q2410	I2406-H2408 VanDerWaalsContact C-N 3.35Å; I2406-H2408 PolarHBondContact O-N 2.85Å; I2406-H2408 PolarHBondContact O-ND1 2.85Å; H2408-Q2410 VanDerWaalsContact C-N 3.33Å; H2408-Q2410 PolarHBondContact O-N 3.17Å
2409	P	29.1	Very low	30.3	Very low	121 Å²	121	142 Å²	142	79%	0.786	75%	0.745	S	S	*	*				-91.2	143.5	105.7	3.8	10.2	0	0	0	111	M2411	P2409-M2411 VanDerWaalsContact C-N 3.33Å; P2409-M2411 PolarHBondContact O-N 3.34Å
2410	Q	27.7	Very low	30.4	Very low	164 Å²	164	141.1 Å²	141.1	77%	0.766	75%	0.747	S	S	*	*			trans	-84.2	124.1	179.5	179.6	179.3	1.1	0	0	108.5	H2408 I2412	H2408-Q2410 VanDerWaalsContact C-N 3.33Å; H2408-Q2410 PolarHBondContact O-N 3.17Å; Q2410-I2412 HydrophobicContact CG-CD1 4.43Å; Q2410-I2412 HydrophobicContact CG-CG1 4.24Å; Q2410-I2412 PolarHBondContact O-N 3.1Å
2411	M	29	Very low	30.2	Very low	175.667 Å²	175.667	143.1 Å²	143.1	87%	0.865	76%	0.756	S	S	*	*			trans	-70.4	106.5	169.3	-66	-150.5	-53.7	0	0	108.5	P2409 D2413	P2409-M2411 VanDerWaalsContact C-N 3.33Å; P2409-M2411 PolarHBondContact O-N 3.34Å; M2411-D2413 PolarHBondContact O-N 2.84Å
2412	I	30.1	Very low	30.2	Very low	129.333 Å²	129.333	144.4 Å²	144.4	66%	0.663	76%	0.758	S	S	*	*			trans	-94.1	107.3	158.6	-63.5	173.9	0	0	0	105.7	Q2410 S2414	Q2410-I2412 HydrophobicContact CG-CD1 4.43Å; Q2410-I2412 HydrophobicContact CG-CG1 4.24Å; Q2410-I2412 PolarHBondContact O-N 3.1Å; I2412-S2414 PolarHBondContact O-N 3.49Å; I2412-S2414 PolarHBondContact O-OG 2.89Å
2413	D	28.9	Very low	30.1	Very low	143.333 Å²	143.333	145.2 Å²	145.2	77%	0.766	76%	0.764	S	S	*	*			trans	-93.6	113.9	150	-128.9	-10.1	0	0	0	110.3	M2411 S2415	M2411-D2413 PolarHBondContact O-N 2.84Å; D2413-S2415 PolarHBondContact O-N 3.02Å; D2413-S2415 PolarHBondContact O-OG 3.19Å
2414	S	28.2	Very low	30.1	Very low	95 Å²	95	142.2 Å²	142.2	66%	0.664	76%	0.762	S	S	*	*			trans	-125.7	102.2	160.3	-72.3	0	0	0	0	114.5	I2412 G2416	I2412-S2414 PolarHBondContact O-N 3.49Å; I2412-S2414 PolarHBondContact O-OG 2.89Å; S2414-G2416 PolarHBondContact O-N 3.23Å
2415	S	28.5	Very low	30.1	Very low	116.667 Å²	116.667	139.8 Å²	139.8	82%	0.816	76%	0.762	S	S	*	*			trans	-37.7	108.3	150.8	57.6	0	0	0	0	113.3	D2413 S2417	D2413-S2415 PolarHBondContact O-N 3.02Å; D2413-S2415 PolarHBondContact O-OG 3.19Å; S2415-S2417 PolarHBondContact O-N 3Å; S2415-S2417 PolarHBondContact O-OG 2.93Å
2416	G	30.7	Very low	30.1	Very low	74.3333 Å²	74.3333	139 Å²	139	77%	0.766	77%	0.77	S	S	*	*			trans	-143.3	67.9	-179	0	0	0	0	0	112.4	S2414 Y2418	S2414-G2416 PolarHBondContact O-N 3.23Å; G2416-Y2418 VanDerWaalsContact C-N 3.34Å; G2416-Y2418 PolarHBondContact O-N 3.49Å
2417	S	27.2	Very low	30	Very low	108 Å²	108	138 Å²	138	76%	0.755	77%	0.771	S	S	*	*			trans	-76.2	114.2	-177.5	50	0	0	0	0	111.9	S2415 S2419	S2415-S2417 PolarHBondContact O-N 3Å; S2415-S2417 PolarHBondContact O-OG 2.93Å; S2417-S2419 PolarHBondContact O-N 3.34Å
2418	Y	29.2	Very low	29.9	Very low	233 Å²	233	134.5 Å²	134.5	91%	0.914	78%	0.775	S	S	*	*			trans	-118.1	122.2	158.6	-104.2	-81.1	0	0	0	110.9	G2416	G2416-Y2418 VanDerWaalsContact C-N 3.34Å; G2416-Y2418 PolarHBondContact O-N 3.49Å
2419	S	27.2	Very low	30.1	Very low	96.3333 Å²	96.3333	131.2 Å²	131.2	67%	0.674	78%	0.776	S	S	*	*			trans	-130.7	133.9	173	59.9	0	0	0	0	110.5	S2417	S2417-S2419 PolarHBondContact O-N 3.34Å
2420	P	35	Very low	30.1	Very low	117.333 Å²	117.333	136.5 Å²	136.5	76%	0.762	78%	0.78	S	S	*	*			trans	-104.9	109.9	150.7	5.9	14.2	0	0	0	108.4
2421	Q	31.9	Very low	30.5	Very low	168.667 Å²	168.667	133.8 Å²	133.8	79%	0.788	78%	0.777	S	S	*	*				52.2	113.9	96.8	-65.9	-176.2	-30.4	0	0	114.9
2422	Q	31.6	Very low	30.6	Very low	162.667 Å²	162.667	130.4 Å²	130.4	76%	0.76	77%	0.766	S	S	*	*				-52.9	138.1	106.8	-61.9	168.6	-23.5	0	0	114.2
2423	N	32.3	Very low	30.7	Very low	158.667 Å²	158.667	129.6 Å²	129.6	85%	0.848	77%	0.767	S	S	*	*				179.5	137.7	125.8	-85.4	-36.4	0	0	0	113.9
2424	S	29.9	Very low	31	Very low	106.333 Å²	106.333	130.7 Å²	130.7	74%	0.744	77%	0.767	S	S	*	*			trans	-119.4	147.5	165.4	49.6	0	0	0	0	111.6
2425	V	31.2	Very low	31.1	Very low	137.667 Å²	137.667	133.1 Å²	133.1	83%	0.834	77%	0.77	S	S	*	*			trans	169.1	133	146.1	166.8	0	0	0	0	112	V2427	V2425-V2427 HydrophobicContact CG1-CG2 3.77Å
2426	S	29.1	Very low	31.4	Very low	105.333 Å²	105.333	134.3 Å²	134.3	74%	0.737	77%	0.766	S	S	*	*			trans	-129.7	136.8	-172.1	54.2	0	0	0	0	111.8
2427	V	31.8	Very low	31.6	Very low	135 Å²	135	135.2 Å²	135.2	82%	0.818	76%	0.758	S	S	*	*			trans	-159	123.7	157.6	175.4	0	0	0	0	111.5	V2425	V2425-V2427 HydrophobicContact CG1-CG2 3.77Å
2428	S	30.1	Very low	32	Very low	116.333 Å²	116.333	138.5 Å²	138.5	81%	0.814	76%	0.761	S	S	*	*				-166.7	141.7	66.3	-174.7	0	0	0	0	110.9
2429	A	32.7	Very low	32.2	Very low	91 Å²	91	130.9 Å²	130.9	75%	0.752	75%	0.746	S	S	*	*			trans	-142.7	123.1	173.5	0	0	0	0	0	115.7
2430	R	29.5	Very low	32.5	Very low	231 Å²	231	135.2 Å²	135.2	87%	0.872	76%	0.755	S	S	*	*			trans	-109.9	144.7	145.4	-153.8	-178.4	176.4	170.3	0.4	109.5
2431	P	35.6	Very low	32.4	Very low	109 Å²	109	134.5 Å²	134.5	71%	0.708	75%	0.753	S	S	*	*				-124.6	159.7	114.8	33.4	-19.2	0	0	0	114
2432	T	32.8	Very low	32.5	Very low	104 Å²	104	132.2 Å²	132.2	64%	0.638	75%	0.751	S	S	*	*			trans	-136.2	130.1	151.5	-8.8	0	0	0	0	114.9
2433	T	31.9	Very low	32.5	Very low	111.333 Å²	111.333	129.6 Å²	129.6	68%	0.683	75%	0.75	S	S	*	*				-167.1	154.8	124.3	-9.6	0	0	0	0	112.8
2434	H	33.7	Very low	32.7	Very low	166.333 Å²	166.333	132.2 Å²	132.2	77%	0.77	75%	0.748	S	S	*	*				176.3	144.4	122.9	-101	-44.7	0	0	0	114.3
2435	M	31.1	Very low	32.9	Very low	146 Å²	146	134.5 Å²	134.5	72%	0.719	75%	0.752	S	S	*	*			trans	-174.3	157.3	159.8	-87.9	-67.7	-135.2	0	0	115.1
2436	L	35.3	Very low	33.1	Very low	141 Å²	141	131.5 Å²	131.5	74%	0.738	75%	0.749	S	S	*	*			trans	92.3	139	146.9	-66.6	167.1	0	0	0	118.5
2437	T	33.4	Very low	33.3	Very low	95 Å²	95	134.6 Å²	134.6	58%	0.583	76%	0.758	S	S	*	*			cis	161	149.4	-23.9	24.1	0	0	0	0	114.3
2438	H	35.5	Very low	33.4	Very low	176.667 Å²	176.667	131.7 Å²	131.7	82%	0.818	76%	0.755	S	S	*	*			trans	65.4	147.9	150.6	-59.7	-57.4	0	0	0	119
2439	A	34.5	Very low	33.5	Very low	73 Å²	73	136.2 Å²	136.2	60%	0.603	76%	0.76	S	S	*	*			cis	-162.6	162.2	-16.4	0	0	0	0	0	110.3
2440	E	32.5	Very low	33.7	Very low	186.333 Å²	186.333	138.4 Å²	138.4	87%	0.871	76%	0.764	S	S	*	*			trans	51.1	141.1	152	-67.9	171.6	163	0	0	120.3
2441	S	33.6	Very low	33.9	Very low	103.667 Å²	103.667	136.7 Å²	136.7	73%	0.725	76%	0.763	S	S	*	*			cis	-167.5	160.7	-2.8	82.6	0	0	0	0	113.1
2442	T	33.2	Very low	33.8	Very low	120.333 Å²	120.333	137.2 Å²	137.2	74%	0.738	76%	0.764	S	S	*	*			trans	30.5	105.8	152	-48.4	0	0	0	0	119.5
2443	S	32.8	Very low	33.9	Very low	106.667 Å²	106.667	136.9 Å²	136.9	75%	0.746	76%	0.764	S	S	*	*				88.9	158.7	113.3	77.3	0	0	0	0	115.5
2444	R	36	Very low	33.8	Very low	213.333 Å²	213.333	140.8 Å²	140.8	81%	0.805	77%	0.767	S	S	*	*			cis	-169.6	136.7	7.7	-162.8	177.1	-171.9	-174.4	3.7	110.6
2445	N	33.7	Very low	33.8	Very low	155.333 Å²	155.333	141.8 Å²	141.8	83%	0.831	77%	0.772	S	S	*	*			trans	20.5	140.6	165.8	-51.2	1.7	0	0	0	119.7
2446	G	35	Very low	33.8	Very low	74.3333 Å²	74.3333	145.4 Å²	145.4	77%	0.766	78%	0.779	S	S	*	*			trans	-174.1	88.1	160.1	0	0	0	0	0	115.1
2447	N	33.7	Very low	33.8	Very low	171.667 Å²	171.667	146.2 Å²	146.2	92%	0.918	78%	0.784	S	S	*	*			trans	-54.3	112.2	-177.2	-70.8	-24.3	0	0	0	113.6
2448	G	35.2	Very low	33.7	Very low	74 Å²	74	149.9 Å²	149.9	76%	0.763	79%	0.792	S	S	*	*			trans	-132.5	133.1	172	0	0	0	0	0	113.2	V2450	G2448-V2450 PolarHBondContact O-N 2.8Å
2449	K	32.5	Very low	33.6	Very low	210.333 Å²	210.333	146.7 Å²	146.7	91%	0.914	79%	0.787	S	S	*	*			trans	-78.2	118.5	177.6	-67.4	175.6	179	176.1	0	110.8	K2451	K2449-K2451 PolarHBondContact O-N 3.3Å
2450	V	35.6	Very low	33.4	Very low	136.667 Å²	136.667	150.7 Å²	150.7	83%	0.828	80%	0.798	S	S	*	*			trans	-117.9	123.3	162.1	-178.1	0	0	0	0	108.8	G2448	G2448-V2450 PolarHBondContact O-N 2.8Å
2451	K	34.2	Very low	33.5	Very low	195 Å²	195	147.4 Å²	147.4	85%	0.848	79%	0.79	S	S	*	*			trans	-90.5	130.2	167.9	-71.3	-177.6	175.6	-176.4	0	109.3	K2449	K2449-K2451 PolarHBondContact O-N 3.3Å
2452	T	33.5	Very low	33.4	Very low	120.667 Å²	120.667	147 Å²	147	74%	0.74	78%	0.783	S	S	*	*			trans	-123.1	139	149.1	39	0	0	0	0	112.2	Y2454	T2452-Y2454 PolarHBondContact O-N 3.42Å
2453	P	35.1	Very low	33.2	Very low	96.6667 Å²	96.6667	146.2 Å²	146.2	63%	0.628	78%	0.783	S	S	*	*			trans	-96.6	141.7	177.5	35.1	-30.1	0	0	0	111.9	Q2455	P2453-Q2455 PolarHBondContact O-N 3.34Å
2454	Y	30.4	Very low	33	Very low	194.667 Å²	194.667	151.8 Å²	151.8	76%	0.763	79%	0.787	S	S	*	*			trans	35.1	97.7	168.1	-70.7	-81.1	0	0	0	115.2	S1782 T2452 Y2456	S1782-Y2454 WeakPolarHBondContact CB-OH 3.17Å; T2452-Y2454 PolarHBondContact O-N 3.42Å; Y2454-Y2456 PolarHBondContact O-N 2.9Å
2455	Q	32.8	Very low	32.6	Very low	186.333 Å²	186.333	144.8 Å²	144.8	87%	0.871	78%	0.782	S	S	*	*			trans	-87.9	113.3	156.8	-140.8	177.7	0.4	0	0	108.4	P2453 L2457	P2453-Q2455 PolarHBondContact O-N 3.34Å; Q2455-L2457 PolarHBondContact O-N 3.24Å; Q2455-L2457 VanDerWaalsContact O-N 3.07Å
2456	Y	31.7	Very low	32.5	Very low	222 Å²	222	142 Å²	142	87%	0.871	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-64.7	120.1	175.1	-93.7	-101.8	0	0	0	109.5	Y2454 K2458	Y2454-Y2456 PolarHBondContact O-N 2.9Å; Y2456-K2458 PolarHBondContact O-N 3.21Å
2457	L	34.3	Very low	32.2	Very low	157.667 Å²	157.667	147.2 Å²	147.2	83%	0.825	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-68.5	124.3	165.4	-81.6	135.4	0	0	0	108.3	Q2455	Q2455-L2457 PolarHBondContact O-N 3.24Å; Q2455-L2457 VanDerWaalsContact O-N 3.07Å
2458	K	31.6	Very low	32	Very low	173.333 Å²	173.333	147.4 Å²	147.4	75%	0.754	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-61.7	135	170.2	-159.8	179.2	-174.7	-174.8	0	107.4	Y2456 D2460	Y2456-K2458 PolarHBondContact O-N 3.21Å; K2458-D2460 PolarHBondContact O-N 3.28Å
2459	P	33.4	Very low	31.7	Very low	109.333 Å²	109.333	147.2 Å²	147.2	71%	0.71	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-60.4	137.8	171.7	26.7	-33.7	0	0	0	109	V2461	P2459-V2461 PolarHBondContact O-N 3.06Å
2460	D	31.5	Very low	31.7	Very low	155.667 Å²	155.667	142.5 Å²	142.5	83%	0.832	75%	0.749	S	S	*	*			trans	-63.1	113.2	179	-77.9	-52.3	0	0	0	110	K2458 V2462	K2458-D2460 PolarHBondContact O-N 3.28Å; D2460-V2462 VanDerWaalsContact C-N 3.29Å; D2460-V2462 PolarHBondContact O-N 2.99Å
2461	V	33.1	Very low	31.7	Very low	117.333 Å²	117.333	141.9 Å²	141.9	71%	0.711	75%	0.746	S	S	*	*			trans	-73.6	92.7	170.8	178.9	0	0	0	0	106.7	P2459 S2463	P2459-V2461 PolarHBondContact O-N 3.06Å; V2461-S2463 VanDerWaalsContact C-N 3.32Å; V2461-S2463 PolarHBondContact O-N 3.02Å
2462	V	31.6	Very low	31.7	Very low	95.6667 Å²	95.6667	137.9 Å²	137.9	58%	0.58	74%	0.738	S	S	*	*			trans	-64.7	98.5	173.5	-178	0	0	0	0	108.1	D2460 W2464	D2460-V2462 VanDerWaalsContact C-N 3.29Å; D2460-V2462 PolarHBondContact O-N 2.99Å; V2462-W2464 HydrophobicContact CG1-CD2 4.23Å; V2462-W2464 HydrophobicContact CG1-CG 4.39Å; V2462-W2464 HydrophobicContact CG1-CZ2 4.06Å; V2462-W2464 PolarHBondContact O-N 2.85Å; V2462-W2464 VanDerWaalsContact O-N 3.09Å
2463	S	29	Very low	31.6	Very low	104.333 Å²	104.333	139.7 Å²	139.7	73%	0.73	74%	0.742	S	S	*	*			trans	-70.7	98.1	174.6	55.8	0	0	0	0	109.2	V2461 G2465	V2461-S2463 VanDerWaalsContact C-N 3.32Å; V2461-S2463 PolarHBondContact O-N 3.02Å; S2463-G2465 PolarHBondContact O-N 2.99Å
2464	W	29	Very low	31.6	Very low	223.333 Å²	223.333	141 Å²	141	85%	0.846	75%	0.749	S	S	*	*			trans	-71.9	55.9	169.8	-68.2	103.2	0	0	0	111.6	V2462 V2466	V2462-W2464 HydrophobicContact CG1-CD2 4.23Å; V2462-W2464 HydrophobicContact CG1-CG 4.39Å; V2462-W2464 HydrophobicContact CG1-CZ2 4.06Å; V2462-W2464 PolarHBondContact O-N 2.85Å; V2462-W2464 VanDerWaalsContact O-N 3.09Å; W2464-V2466 VanDerWaalsContact C-N 3.31Å; W2464-V2466 PolarHBondContact O-N 2.94Å
2465	G	27.5	Very low	31.6	Very low	66.3333 Å²	66.3333	134.7 Å²	134.7	68%	0.684	74%	0.742	S	S	*	*			trans	-82.8	65.9	173.6	0	0	0	0	0	111.3	S2463 Q2467	S2463-G2465 PolarHBondContact O-N 2.99Å; G2465-Q2467 VanDerWaalsContact C-N 3.31Å; G2465-Q2467 PolarHBondContact O-N 2.96Å
2466	V	31.6	Very low	31.6	Very low	96.3333 Å²	96.3333	131.6 Å²	131.6	58%	0.584	74%	0.736	S	S	*	*			trans	-75	92.5	167.6	-175.2	0	0	0	0	107.8	W2464 F2468	W2464-V2466 VanDerWaalsContact C-N 3.31Å; W2464-V2466 PolarHBondContact O-N 2.94Å; V2466-F2468 VanDerWaalsContact C-N 3.31Å; V2466-F2468 HydrophobicContact CB-CD2 4.46Å; V2466-F2468 HydrophobicContact CB-CE2 4.32Å; V2466-F2468 HydrophobicContact CG1-CD2 3.81Å; V2466-F2468 HydrophobicContact CG1-CE1 4.5Å; V2466-F2468 HydrophobicContact CG1-CE2 3.52Å; V2466-F2468 VanDerWaalsContact CG1-CE2 3.45Å; V2466-F2468 HydrophobicContact CG1-CG 4.49Å; V2466-F2468 HydrophobicContact CG1-CZ 3.97Å; V2466-F2468 PolarHBondContact O-N 2.98Å
2467	Q	28.3	Very low	31.7	Very low	183.333 Å²	183.333	127 Å²	127	86%	0.857	73%	0.731	S	S	*	*			trans	-70.6	85.7	174.1	-143.6	-179.3	-24.8	0	0	109.6	G2465 A2469	G2465-Q2467 VanDerWaalsContact C-N 3.31Å; G2465-Q2467 PolarHBondContact O-N 2.96Å; Q2467-A2469 PolarHBondContact O-N 3.02Å; Q2467-A2469 VanDerWaalsContact O-N 3.14Å
2468	F	30.3	Very low	31.6	Very low	176 Å²	176	127.4 Å²	127.4	77%	0.772	73%	0.729	S	S	*	*			trans	-65.9	91.6	159.5	-74.7	-75.4	0	0	0	108.7	V2466	V2466-F2468 VanDerWaalsContact C-N 3.31Å; V2466-F2468 HydrophobicContact CB-CD2 4.46Å; V2466-F2468 HydrophobicContact CB-CE2 4.32Å; V2466-F2468 HydrophobicContact CG1-CD2 3.81Å; V2466-F2468 HydrophobicContact CG1-CE1 4.5Å; V2466-F2468 HydrophobicContact CG1-CE2 3.52Å; V2466-F2468 VanDerWaalsContact CG1-CE2 3.45Å; V2466-F2468 HydrophobicContact CG1-CG 4.49Å; V2466-F2468 HydrophobicContact CG1-CZ 3.97Å; V2466-F2468 PolarHBondContact O-N 2.98Å
2469	A	29.8	Very low	31.7	Very low	70.3333 Å²	70.3333	125.6 Å²	125.6	58%	0.581	73%	0.732	S	S	*	*			trans	-59.5	130.9	161.1	0	0	0	0	0	107.7	Q2467 V2471	Q2467-A2469 PolarHBondContact O-N 3.02Å; Q2467-A2469 VanDerWaalsContact O-N 3.14Å; A2469-V2471 PolarHBondContact O-N 2.98Å
2470	P	31.8	Very low	31.7	Very low	111 Å²	111	125.7 Å²	125.7	72%	0.721	73%	0.732	S	S	*	*			trans	-64.7	108.8	179.9	25.8	-33.1	0	0	0	109	T2472	P2470-T2472 VanDerWaalsContact C-N 3.25Å; P2470-T2472 PolarHBondContact O-N 3.01Å
2471	V	34.7	Very low	31.6	Very low	125.333 Å²	125.333	127.7 Å²	127.7	76%	0.76	74%	0.736	S	S	*	*			trans	-69.5	98.3	171.5	178.2	0	0	0	0	107	A2469 L2473	A2469-V2471 PolarHBondContact O-N 2.98Å; V2471-L2473 HydrophobicContact CG1-CG 4.47Å; V2471-L2473 PolarHBondContact O-N 2.77Å
2472	T	34.3	Very low	31.7	Very low	109.667 Å²	109.667	127.1 Å²	127.1	67%	0.673	74%	0.737	S	S	*	*			trans	-67.6	92.3	173.5	45	0	0	0	0	109	P2470 T2474	P2470-T2472 VanDerWaalsContact C-N 3.25Å; P2470-T2472 PolarHBondContact O-N 3.01Å; T2472-T2474 VanDerWaalsContact C-N 3.32Å; T2472-T2474 PolarHBondContact O-N 3.05Å; T2472-T2474 PolarHBondContact O-OG1 3.48Å
2473	L	33.1	Very low	31.9	Very low	158 Å²	158	127.1 Å²	127.1	83%	0.827	74%	0.741	S	S	*	*			trans	-67.2	82.9	166.6	-76.9	173.6	0	0	0	109.1	V2471 G2475	V2471-L2473 HydrophobicContact CG1-CG 4.47Å; V2471-L2473 PolarHBondContact O-N 2.77Å; L2473-G2475 PolarHBondContact O-N 2.85Å
2474	T	33.5	Very low	32	Very low	125.333 Å²	125.333	131.9 Å²	131.9	77%	0.769	75%	0.749	S	S	*	*			trans	-70.6	67.6	168.3	46.9	0	0	0	0	109.6	T2472 V2476	T2472-T2474 VanDerWaalsContact C-N 3.32Å; T2472-T2474 PolarHBondContact O-N 3.05Å; T2472-T2474 PolarHBondContact O-OG1 3.48Å; T2474-V2476 PolarHBondContact O-N 2.97Å
2475	G	31.5	Very low	32.3	Very low	61.3333 Å²	61.3333	129.7 Å²	129.7	63%	0.632	75%	0.747	S	S	*	*			trans	-107.9	71.9	-179.6	0	0	0	0	0	112.1	L2473 T2477	L2473-G2475 PolarHBondContact O-N 2.85Å; G2475-T2477 VanDerWaalsContact C-N 3.32Å; G2475-T2477 PolarHBondContact O-N 3.04Å
2476	V	32.8	Very low	32.4	Very low	121.333 Å²	121.333	135.9 Å²	135.9	74%	0.735	76%	0.756	S	S	*	*			trans	-73.7	97.9	176.7	-175	0	0	0	0	109.5	T2474 Q2478	T2474-V2476 PolarHBondContact O-N 2.97Å; V2476-Q2478 VanDerWaalsContact C-N 3.3Å; V2476-Q2478 HydrophobicContact CG1-CG 4.47Å; V2476-Q2478 PolarHBondContact O-N 3.32Å; V2476-Q2478 VanDerWaalsContact O-N 3.08Å
2477	T	33.2	Very low	32.5	Very low	126.333 Å²	126.333	139.2 Å²	139.2	78%	0.775	77%	0.769	S	S	*	*			trans	-75.4	95.5	170.2	38.7	0	0	0	0	109.7	G2475 T2479	G2475-T2477 VanDerWaalsContact C-N 3.32Å; G2475-T2477 PolarHBondContact O-N 3.04Å; T2477-T2479 PolarHBondContact O-N 3Å; T2477-T2479 VanDerWaalsContact O-N 3.08Å
2478	Q	32.5	Very low	32.6	Very low	166.333 Å²	166.333	134.4 Å²	134.4	78%	0.777	76%	0.761	S	S	*	*			trans	-64.6	105.6	165.2	-71.3	-175.3	-9.7	0	0	109.2	V2476 T2480	V2476-Q2478 VanDerWaalsContact C-N 3.3Å; V2476-Q2478 HydrophobicContact CG1-CG 4.47Å; V2476-Q2478 PolarHBondContact O-N 3.32Å; V2476-Q2478 VanDerWaalsContact O-N 3.08Å; Q2478-T2480 PolarHBondContact O-N 3.27Å
2479	T	32.5	Very low	32.9	Very low	134 Å²	134	133.9 Å²	133.9	82%	0.822	76%	0.764	S	S	*	*			trans	-73	94.6	165.1	41.6	0	0	0	0	108.7	T2477 E2481	T2477-T2479 PolarHBondContact O-N 3Å; T2477-T2479 VanDerWaalsContact O-N 3.08Å; T2479-E2481 VanDerWaalsContact C-N 3.27Å; T2479-E2481 PolarHBondContact O-N 3.37Å
2480	T	34.4	Very low	33	Very low	113.333 Å²	113.333	138.1 Å²	138.1	70%	0.695	78%	0.777	S	S	*	*			trans	-68.6	111.4	175.5	44.6	0	0	0	0	110.4	Q2478 S2482	Q2478-T2480 PolarHBondContact O-N 3.27Å; T2480-S2482 VanDerWaalsContact C-N 3.33Å; T2480-S2482 PolarHBondContact O-N 3.14Å; T2480-S2482 VanDerWaalsContact O-N 3.12Å; T2480-S2482 PolarHBondContact O-OG 2.88Å; T2480-S2482 VanDerWaalsContact O-OG 3.07Å
2481	E	28.3	Very low	33.1	Very low	196 Å²	196	138.5 Å²	138.5	92%	0.916	78%	0.782	S	S	*	*			trans	-62	97.8	172.8	-147.2	-173.7	179.9	0	0	110.5	T2479 S2483	T2479-E2481 VanDerWaalsContact C-N 3.27Å; T2479-E2481 PolarHBondContact O-N 3.37Å; E2481-S2483 PolarHBondContact O-N 3.37Å; E2481-S2483 VanDerWaalsContact O-N 3.14Å
2482	S	36.5	Very low	32.9	Very low	105.333 Å²	105.333	137.4 Å²	137.4	74%	0.737	78%	0.781	S	S	*	*			trans	-104.9	108.7	179.5	58.6	0	0	0	0	111.1	T2480 K2484	T2480-S2482 VanDerWaalsContact C-N 3.33Å; T2480-S2482 PolarHBondContact O-N 3.14Å; T2480-S2482 VanDerWaalsContact O-N 3.12Å; T2480-S2482 PolarHBondContact O-OG 2.88Å; T2480-S2482 VanDerWaalsContact O-OG 3.07Å; S2482-K2484 PolarHBondContact O-N 3.2Å
2483	S	35.2	Very low	32.9	Very low	95.6667 Å²	95.6667	138.4 Å²	138.4	67%	0.669	79%	0.786	S	S	*	*			trans	-32.9	128.7	177.5	63.7	0	0	0	0	115.3	E2481 H2485	E2481-S2483 PolarHBondContact O-N 3.37Å; E2481-S2483 VanDerWaalsContact O-N 3.14Å; S2483-H2485 PolarHBondContact O-N 3.09Å
2484	K	31.3	Very low	32.7	Very low	204.667 Å²	204.667	138.3 Å²	138.3	89%	0.89	79%	0.787	S	S	*	*			trans	-21.8	104	156	-62.4	167	-177.8	167.3	0	112.6	S2482 K2486	S2482-K2484 PolarHBondContact O-N 3.2Å; K2484-K2486 PolarHBondContact O-N 2.83Å
2485	H	36	Very low	32.6	Very low	177 Å²	177	139.7 Å²	139.7	82%	0.819	79%	0.787	S	S	*	*			trans	-117.4	111.5	159.6	-113.3	-82	0	0	0	112.5	S2483 L2487	S2483-H2485 PolarHBondContact O-N 3.09Å; H2485-L2487 PolarHBondContact O-N 2.86Å
2486	K	29.3	Very low	32.4	Very low	196.667 Å²	196.667	141.9 Å²	141.9	86%	0.855	79%	0.794	S	S	*	*			trans	-79	113.1	177.7	174.7	-173.3	177.4	-178.2	0	109.8	K2484	K2484-K2486 PolarHBondContact O-N 2.83Å
2487	L	33.9	Very low	32.3	Very low	167 Å²	167	142.3 Å²	142.3	87%	0.874	80%	0.796	S	S	*	*			trans	-124.2	121.7	162.8	-85.7	169.9	0	0	0	108.9	H2485	H2485-L2487 PolarHBondContact O-N 2.86Å
2488	A	29.1	Very low	32.2	Very low	81.6667 Å²	81.6667	143.7 Å²	143.7	68%	0.675	79%	0.794	S	S	*	*			trans	-116.9	134	173	0	0	0	0	0	108.4
2489	I	36.6	Very low	32	Very low	166 Å²	166	142.1 Å²	142.1	85%	0.851	80%	0.795	S	S	*	*			trans	-134.3	123.8	162.7	-62.2	-176.4	0	0	0	106.3
2490	D	32.1	Very low	32.1	Very low	157.333 Å²	157.333	142.4 Å²	142.4	84%	0.841	79%	0.792	S	S	*	*			trans	-77	140.9	-176.5	-62.1	-75.7	0	0	0	112.5
2491	S	33.9	Very low	32.1	Very low	119.333 Å²	119.333	141.6 Å²	141.6	83%	0.834	80%	0.797	S	S	*	*			trans	-155	119.4	141.3	-171.8	0	0	0	0	109.6
2492	S	31.9	Very low	32.6	Very low	104 Å²	104	138.7 Å²	138.7	73%	0.727	79%	0.792	S	S	*	*			trans	-94.9	125.8	-170.8	58.3	0	0	0	0	112.9
2493	V	33	Very low	32.7	Very low	129.333 Å²	129.333	141.1 Å²	141.1	78%	0.784	79%	0.792	S	S	*	*			trans	-126.8	105.4	156.7	-179.4	0	0	0	0	108	I2495	V2493-I2495 PolarHBondContact O-N 2.7Å
2494	N	29.3	Very low	32.9	Very low	157 Å²	157	144.2 Å²	144.2	84%	0.84	80%	0.801	S	S	*	*			trans	-82.3	115.2	175.8	-90.8	-36.5	0	0	0	109.9
2495	I	31.9	Very low	33.3	Very low	153 Å²	153	140.7 Å²	140.7	79%	0.785	79%	0.792	S	S	*	*			trans	-128.2	105.7	154.7	-60.1	-178.1	0	0	0	107.1	V2493 V2497	V2493-I2495 PolarHBondContact O-N 2.7Å; I2495-V2497 PolarHBondContact O-N 3.24Å
2496	S	26.8	Very low	33.3	Very low	109.333 Å²	109.333	141.3 Å²	141.3	77%	0.765	79%	0.788	S	S	*	*			trans	-81.7	130.5	174.6	52.5	0	0	0	0	110.6
2497	V	30.2	Very low	33.6	Very low	130 Å²	130	141.5 Å²	141.5	79%	0.788	79%	0.785	S	S	*	*			trans	-132.9	124.7	146.1	168.8	0	0	0	0	108.3	I2495	I2495-V2497 PolarHBondContact O-N 3.24Å
2498	Q	31	Very low	33.6	Very low	155 Å²	155	140.3 Å²	140.3	72%	0.724	78%	0.778	S	S	*	*			trans	-51.2	115.8	175.1	-149.6	175.3	-61.1	0	0	113.5	D2500	Q2498-D2500 VanDerWaalsContact C-N 3.31Å; Q2498-D2500 PolarHBondContact NE2-OD1 2.87Å; Q2498-D2500 PolarHBondContact O-N 2.89Å
2499	T	29.7	Very low	33.9	Very low	132 Å²	132	145 Å²	145	81%	0.81	78%	0.783	S	S	*	*			trans	-52.5	99.6	152.8	53.3	0	0	0	0	113
2500	D	33.9	Very low	33.7	Very low	141.333 Å²	141.333	146.8 Å²	146.8	76%	0.756	78%	0.779	S	S	*	*			trans	-92.2	139.6	149	-80.6	-25.4	0	0	0	108.5	Q2498 V2502	Q2498-D2500 VanDerWaalsContact C-N 3.31Å; Q2498-D2500 PolarHBondContact NE2-OD1 2.87Å; Q2498-D2500 PolarHBondContact O-N 2.89Å; D2500-V2502 PolarHBondContact O-N 2.95Å
2501	A	34.3	Very low	33.7	Very low	96.3333 Å²	96.3333	145.4 Å²	145.4	80%	0.796	78%	0.776	S	S	*	*			trans	-95.5	135.2	-175.8	0	0	0	0	0	111.8
2502	V	38.7	Very low	33.7	Very low	134 Å²	134	144.9 Å²	144.9	81%	0.812	77%	0.768	S	S	*	*			trans	-135	136.6	162.6	-177.6	0	0	0	0	106.9	D2500	D2500-V2502 PolarHBondContact O-N 2.95Å
2503	E	39.2	Very low	33.8	Very low	156 Å²	156	145.3 Å²	145.3	73%	0.729	77%	0.766	S	S	*	*			trans	-76.6	145.6	-169.5	-65.2	130.5	150.9	0	0	113	D2505 R2604	E2503-D2505 VanDerWaalsContact C-N 3.3Å; E2503-D2505 PolarHBondContact O-N 3.03Å; E2503-R2604 IonicContact OE2-NH2 2.95Å
2504	D	38.3	Very low	33.8	Very low	162 Å²	162	144.9 Å²	144.9	87%	0.866	76%	0.764	S	S	*	*			trans	-100.7	86.7	168.2	-87.1	-49.8	0	0	0	111.8	Y2506	D2504-Y2506 VanDerWaalsContact C-N 3.33Å; D2504-Y2506 PolarHBondContact O-N 3.3Å
2505	D	40.1	Very low	33.9	Very low	130.333 Å²	130.333	144 Å²	144	70%	0.697	76%	0.758	S	S	*	*			trans	-57.4	117.3	162.5	-128.7	-5.5	0	0	0	115.9	E2503 Y2507	E2503-D2505 VanDerWaalsContact C-N 3.3Å; E2503-D2505 PolarHBondContact O-N 3.03Å; D2505-Y2507 VanDerWaalsContact C-N 3.32Å; D2505-Y2507 HydrophobicContact CB-CD2 4.37Å; D2505-Y2507 HydrophobicContact CB-CE2 4.27Å; D2505-Y2507 WeakPolarHBondContact O-CD2 3.46Å; D2505-Y2507 PolarHBondContact O-N 3.02Å; D2505-Y2507 WeakPolarHBondContact OD2-CE2 3.32Å
2506	Y	36.8	Very low	33.8	Very low	189 Å²	189	141.3 Å²	141.3	74%	0.741	76%	0.758	S	S	*	*			trans	-54.4	109.2	-178.8	-114.9	-81.7	0	0	0	116.1	D2504 I2508	D2504-Y2506 VanDerWaalsContact C-N 3.33Å; D2504-Y2506 PolarHBondContact O-N 3.3Å; Y2506-I2508 HydrophobicContact CD1-CG1 4.33Å; Y2506-I2508 PolarHBondContact O-N 3.03Å
2507	Y	35.7	Very low	34.1	Very low	201.667 Å²	201.667	145.8 Å²	145.8	79%	0.791	76%	0.758	S	S	*	*			trans	-89.4	97.7	-173.5	-90.5	-73.5	0	0	0	113.6	D2505 K2509	D2505-Y2507 VanDerWaalsContact C-N 3.32Å; D2505-Y2507 HydrophobicContact CB-CD2 4.37Å; D2505-Y2507 HydrophobicContact CB-CE2 4.27Å; D2505-Y2507 WeakPolarHBondContact O-CD2 3.46Å; D2505-Y2507 PolarHBondContact O-N 3.02Å; D2505-Y2507 WeakPolarHBondContact OD2-CE2 3.32Å; Y2507-K2509 PolarHBondContact O-N 3Å; Y2507-K2509 VanDerWaalsContact O-N 3.15Å
2508	I	34.1	Very low	34.3	Very low	141 Å²	141	148.6 Å²	148.6	72%	0.723	76%	0.76	S	S	*	*			trans	-77.9	99	168.9	-57.7	178.7	0	0	0	110.1	Y2506 R2510	Y2506-I2508 HydrophobicContact CD1-CG1 4.33Å; Y2506-I2508 PolarHBondContact O-N 3.03Å; I2508-R2510 VanDerWaalsContact C-N 3.33Å; I2508-R2510 HydrophobicContact CG2-CG 4.25Å; I2508-R2510 PolarHBondContact O-N 3.11Å
2509	K	33.9	Very low	34.3	Very low	182 Å²	182	144.3 Å²	144.3	79%	0.791	76%	0.757	S	S	*	*			trans	-77.2	94.3	171.3	-94.8	-178.4	178.5	176.6	0	111.5	Y2507 V2511 M2833	Y2507-K2509 PolarHBondContact O-N 3Å; Y2507-K2509 VanDerWaalsContact O-N 3.15Å; K2509-V2511 VanDerWaalsContact C-N 3.33Å; K2509-V2511 PolarHBondContact O-N 2.85Å; K2509-M2833 PolarHBondContact NZ-SD 3.34Å; K2509-M2833 VanDerWaalsContact NZ-SD 3.36Å
2510	R	32.8	Very low	34.5	Very low	202.667 Å²	202.667	145.9 Å²	145.9	77%	0.765	76%	0.76	S	S	*	*			trans	-69.1	110.8	166.3	-69.2	-176.8	179.7	139.7	-0.1	110.1	I2508 V2512	I2508-R2510 VanDerWaalsContact C-N 3.33Å; I2508-R2510 HydrophobicContact CG2-CG 4.25Å; I2508-R2510 PolarHBondContact O-N 3.11Å; R2510-V2512 HydrophobicContact CB-CG2 4.32Å; R2510-V2512 PolarHBondContact O-N 3.15Å; R2510-V2512 VanDerWaalsContact O-N 3.11Å
2511	V	31.8	Very low	34.5	Very low	128.667 Å²	128.667	144.6 Å²	144.6	78%	0.78	76%	0.762	S	S	*	*			trans	-77.4	96.7	167.2	-179.4	0	0	0	0	108.3	K2509 T2513	K2509-V2511 VanDerWaalsContact C-N 3.33Å; K2509-V2511 PolarHBondContact O-N 2.85Å; V2511-T2513 VanDerWaalsContact C-N 3.31Å; V2511-T2513 HydrophobicContact CG1-CG2 4.07Å; V2511-T2513 PolarHBondContact O-N 3.27Å
2512	V	33.5	Very low	34.4	Very low	107.333 Å²	107.333	145 Å²	145	65%	0.651	76%	0.759	S	S	*	*			trans	-82	97.3	176.8	179	0	0	0	0	109.1	R2510 T2514	R2510-V2512 HydrophobicContact CB-CG2 4.32Å; R2510-V2512 PolarHBondContact O-N 3.15Å; R2510-V2512 VanDerWaalsContact O-N 3.11Å; V2512-T2514 VanDerWaalsContact C-N 3.3Å; V2512-T2514 HydrophobicContact CG1-CG2 3.98Å; V2512-T2514 PolarHBondContact O-N 2.97Å; V2512-T2514 PolarHBondContact O-OG1 3.08Å; V2512-T2514 VanDerWaalsContact O-OG1 3.05Å
2513	T	34.1	Very low	34.1	Very low	113.667 Å²	113.667	148.5 Å²	148.5	70%	0.697	76%	0.759	S	S	*	*			trans	-72.2	81.4	173.3	41.7	0	0	0	0	110.9	V2511 I2515	V2511-T2513 VanDerWaalsContact C-N 3.31Å; V2511-T2513 HydrophobicContact CG1-CG2 4.07Å; V2511-T2513 PolarHBondContact O-N 3.27Å; T2513-I2515 VanDerWaalsContact C-N 3.28Å; T2513-I2515 PolarHBondContact O-N 3.2Å
2514	T	32.8	Very low	33.8	Very low	119.667 Å²	119.667	146.8 Å²	146.8	73%	0.734	76%	0.762	S	S	*	*			trans	-78.3	98.3	174	6.2	0	0	0	0	110.1	V2512 A2516	V2512-T2514 VanDerWaalsContact C-N 3.3Å; V2512-T2514 HydrophobicContact CG1-CG2 3.98Å; V2512-T2514 PolarHBondContact O-N 2.97Å; V2512-T2514 PolarHBondContact O-OG1 3.08Å; V2512-T2514 VanDerWaalsContact O-OG1 3.05Å; T2514-A2516 VanDerWaalsContact C-N 3.26Å; T2514-A2516 PolarHBondContact O-N 3.17Å
2515	I	33	Very low	33.6	Very low	140 Å²	140	150 Å²	150	72%	0.718	76%	0.762	S	S	*	*			trans	-76.1	93.4	176.5	-55.3	174.8	0	0	0	109	T2513 R2517	T2513-I2515 VanDerWaalsContact C-N 3.28Å; T2513-I2515 PolarHBondContact O-N 3.2Å; I2515-R2517 HydrophobicContact CG2-CG 4.16Å; I2515-R2517 PolarHBondContact O-N 3.03Å
2516	A	30.2	Very low	33.3	Very low	94.3333 Å²	94.3333	155.5 Å²	155.5	78%	0.78	77%	0.773	S	S	*	*			trans	-81.3	96.5	174.8	0	0	0	0	0	110.5	T2514 K2518	T2514-A2516 VanDerWaalsContact C-N 3.26Å; T2514-A2516 PolarHBondContact O-N 3.17Å; A2516-K2518 VanDerWaalsContact C-N 3.34Å; A2516-K2518 PolarHBondContact O-N 3.03Å
2517	R	32.6	Very low	33.1	Very low	205 Å²	205	149.6 Å²	149.6	77%	0.774	77%	0.77	S	S	*	*			trans	-74.6	103.2	175.1	-68.4	-175.3	177.9	162.3	1.2	110.1	T1925 I2515 G2519	T1925-R2517 PolarHBondContact OG1-NH1 2.65Å; I2515-R2517 HydrophobicContact CG2-CG 4.16Å; I2515-R2517 PolarHBondContact O-N 3.03Å; R2517-G2519 PolarHBondContact O-N 2.78Å
2518	K	34	Very low	32.9	Very low	188.333 Å²	188.333	146.3 Å²	146.3	82%	0.819	77%	0.773	S	S	*	*			trans	-64.4	116.1	171.1	-163	173.3	-174.7	176.6	0	109.8	A2516 L2520 S3087	A2516-K2518 VanDerWaalsContact C-N 3.34Å; A2516-K2518 PolarHBondContact O-N 3.03Å; K2518-L2520 PolarHBondContact O-N 2.99Å; K2518-S3087 PolarHBondContact NZ-OG 3.16Å
2519	G	31.8	Very low	32.8	Very low	64.6667 Å²	64.6667	145.8 Å²	145.8	67%	0.667	78%	0.776	S	S	*	*			trans	-80.2	142.9	-173.6	0	0	0	0	0	113.1	R2517 S2521	R2517-G2519 PolarHBondContact O-N 2.78Å; G2519-S2521 VanDerWaalsContact C-N 3.3Å; G2519-S2521 PolarHBondContact O-N 2.75Å
2520	L	33.9	Very low	32.6	Very low	166.667 Å²	166.667	141.7 Å²	141.7	87%	0.873	78%	0.776	S	S	*	*			trans	-97.7	110.9	168.6	-79.9	110.7	0	0	0	108.2	K2518 S2522	K2518-L2520 PolarHBondContact O-N 2.99Å; L2520-S2522 PolarHBondContact O-N 3.23Å
2521	S	33.4	Very low	32.6	Very low	113.333 Å²	113.333	141 Å²	141	79%	0.793	78%	0.779	S	S	*	*			trans	-96.6	101.8	139.5	-171.2	0	0	0	0	111	G2519 Y2523	G2519-S2521 VanDerWaalsContact C-N 3.3Å; G2519-S2521 PolarHBondContact O-N 2.75Å; S2521-Y2523 PolarHBondContact O-N 3Å
2522	S	32.4	Very low	32.5	Very low	104.333 Å²	104.333	143.8 Å²	143.8	73%	0.73	78%	0.78	S	S	*	*			trans	-50.7	125.5	175	59.3	0	0	0	0	114.3	L2520	L2520-S2522 PolarHBondContact O-N 3.23Å
2523	Y	32.3	Very low	32.4	Very low	208.667 Å²	208.667	145.8 Å²	145.8	82%	0.818	79%	0.786	S	S	*	*			trans	-53.7	113.2	159.1	-89.8	-98.8	0	0	0	116.2	S2521	S2521-Y2523 PolarHBondContact O-N 3Å
2524	C	32.8	Very low	32.4	Very low	118.667 Å²	118.667	145.1 Å²	145.1	80%	0.802	78%	0.781	S	S	*	*				-173.3	140	127	-81.2	0	0	0	0	116
2525	R	34.2	Very low	32.2	Very low	229.667 Å²	229.667	147.4 Å²	147.4	87%	0.867	78%	0.784	S	S	*	*			trans	-88.4	129.9	166.5	-66.1	178.3	-173.7	-133.3	2.6	114.8
2526	R	34	Very low	32.4	Very low	247 Å²	247	149.5 Å²	149.5	93%	0.932	79%	0.79	S	S	*	*			trans	34.5	132.2	142.4	-76.8	176.8	-175.9	-164	0.8	116.5
2527	G	31.9	Very low	32.4	Very low	64.3333 Å²	64.3333	150.7 Å²	150.7	66%	0.663	79%	0.788	S	S	*	*			trans	-134.9	144.9	160.9	0	0	0	0	0	113.1
2528	P	32.3	Very low	32.5	Very low	131.667 Å²	131.667	147.3 Å²	147.3	86%	0.855	79%	0.785	S	S	*	*			trans	-84.4	127.1	-177.1	32.2	-32.6	0	0	0	112.2
2529	V	31.9	Very low	32.6	Very low	130.333 Å²	130.333	145.4 Å²	145.4	79%	0.79	78%	0.783	S	S	*	*			trans	-126.2	118.5	170.3	-177.5	0	0	0	0	109.1	K2531	V2529-K2531 HydrophobicContact CG1-CG 4.17Å; V2529-K2531 PolarHBondContact O-N 3.44Å; V2529-K2531 VanDerWaalsContact O-N 3.13Å
2530	A	29.1	Very low	32.7	Very low	96.3333 Å²	96.3333	149.1 Å²	149.1	80%	0.796	79%	0.787	S	S	*	*			trans	-88.5	115.4	179.8	0	0	0	0	0	111.4	K2532	A2530-K2532 PolarHBondContact O-N 2.7Å; A2530-K2532 VanDerWaalsContact O-N 3.14Å
2531	K	33.3	Very low	32.5	Very low	188.333 Å²	188.333	146.7 Å²	146.7	82%	0.819	78%	0.78	S	S	*	*			trans	-64.4	114.2	170	-69.5	-179.3	178.7	179.1	0	110.6	V2529 I2533	V2529-K2531 HydrophobicContact CG1-CG 4.17Å; V2529-K2531 PolarHBondContact O-N 3.44Å; V2529-K2531 VanDerWaalsContact O-N 3.13Å; K2531-I2533 PolarHBondContact O-N 3.14Å
2532	K	29.5	Very low	32.3	Very low	186.667 Å²	186.667	146.7 Å²	146.7	81%	0.812	78%	0.779	S	S	*	*			trans	-92	117.3	134.4	-179.6	-172.8	176.8	-173.1	0	109.4	A2530 V2534	A2530-K2532 PolarHBondContact O-N 2.7Å; A2530-K2532 VanDerWaalsContact O-N 3.14Å; K2532-V2534 HydrophobicContact CG-CG2 4.32Å; K2532-V2534 PolarHBondContact O-N 2.92Å
2533	I	31.5	Very low	32.2	Very low	149.667 Å²	149.667	146.8 Å²	146.8	77%	0.768	78%	0.78	S	S	*	*			trans	-86.2	132	167.3	-62.5	175.4	0	0	0	107.7	K2531 E2535	K2531-I2533 PolarHBondContact O-N 3.14Å; I2533-E2535 HydrophobicContact CG2-CG 4.48Å
2534	V	33.1	Very low	32.2	Very low	98.6667 Å²	98.6667	145 Å²	145	60%	0.598	78%	0.783	S	S	*	*			trans	-104.6	131.5	174.2	175.5	0	0	0	0	108.3	K2532 H2536	K2532-V2534 HydrophobicContact CG-CG2 4.32Å; K2532-V2534 PolarHBondContact O-N 2.92Å; V2534-H2536 PolarHBondContact O-N 2.81Å
2535	E	29.4	Very low	32.2	Very low	168.667 Å²	168.667	145.1 Å²	145.1	79%	0.788	78%	0.783	S	S	*	*			trans	-59.5	133.4	169.5	-62.6	160.1	125.7	0	0	111	I2533	I2533-E2535 HydrophobicContact CG2-CG 4.48Å
2536	H	36	Very low	32	Very low	185 Å²	185	139 Å²	139	86%	0.856	78%	0.775	S	S	*	*			trans	-145.5	115.1	143.7	-97.3	-64.9	0	0	0	109	V2534	V2534-H2536 PolarHBondContact O-N 2.81Å
2537	T	31	Very low	31.7	Very low	118.333 Å²	118.333	134.4 Å²	134.4	73%	0.726	77%	0.769	S	S	*	*			trans	-70.2	155.8	170.1	-3.6	0	0	0	0	111
2538	D	34.6	Very low	31.8	Very low	134.667 Å²	134.667	139.1 Å²	139.1	72%	0.72	78%	0.778	S	S	*	*				172.3	138.1	114.3	-105.2	-29.6	0	0	0	116.5
2539	L	36.4	Very low	31.8	Very low	148.333 Å²	148.333	140.4 Å²	140.4	78%	0.777	78%	0.778	S	S	*	*			trans	98.2	111.2	149	-69.9	175.8	0	0	0	117.9
2540	L	33.8	Very low	32	Very low	142 Å²	142	142.5 Å²	142.5	74%	0.743	78%	0.779	S	S	*	*				83.9	136.3	106.4	-70.2	172	0	0	0	118.6
2541	T	29.7	Very low	32.2	Very low	117 Å²	117	146.5 Å²	146.5	72%	0.718	78%	0.781	S	S	*	*				93.5	147.5	123.4	39.8	0	0	0	0	118.5
2542	S	30.4	Very low	32	Very low	111.667 Å²	111.667	145.8 Å²	145.8	78%	0.781	78%	0.779	S	S	*	*			trans	73.5	141.5	158.5	72.7	0	0	0	0	118.2
2543	S	29.1	Very low	32.4	Very low	107 Å²	107	144.1 Å²	144.1	75%	0.748	78%	0.779	S	S	*	*			cis	-172.3	132.5	-24.7	42.3	0	0	0	0	110
2544	L	33.3	Very low	32.6	Very low	170.333 Å²	170.333	145.2 Å²	145.2	89%	0.892	78%	0.781	S	S	*	*			trans	-103.2	149.5	164.5	-71.1	172	0	0	0	109.9
2545	P	32.4	Very low	32.9	Very low	121.667 Å²	121.667	148.7 Å²	148.7	79%	0.79	79%	0.79	S	S	*	*			trans	-91.1	142	163.5	33.6	-30.8	0	0	0	111.3
2546	S	28.8	Very low	33.3	Very low	101.333 Å²	101.333	145.4 Å²	145.4	71%	0.709	78%	0.782	S	S	*	*			trans	-84.2	150.7	171.5	52.5	0	0	0	0	111.8
2547	N	28.9	Very low	33.3	Very low	149.667 Å²	149.667	142.5 Å²	142.5	80%	0.8	78%	0.777	S	S	*	*			trans	144.9	107.2	154.7	-73	-17.6	0	0	0	111.8
2548	L	33.8	Very low	33.6	Very low	164 Å²	164	143.2 Å²	143.2	86%	0.859	78%	0.775	S	S	*	*			trans	175.6	82.5	157.3	-78.8	176	0	0	0	109.9	E2550	L2548-E2550 PolarHBondContact O-N 3.04Å
2549	D	31.7	Very low	33.8	Very low	159 Å²	159	139.2 Å²	139.2	85%	0.85	77%	0.766	S	S	*	*			trans	-78.9	131.1	160.2	-62.1	-71.4	0	0	0	109
2550	E	35.9	Very low	33.9	Very low	173.333 Å²	173.333	137.8 Å²	137.8	81%	0.81	77%	0.765	S	S	*	*			trans	-165.5	113.9	164.7	-85.1	-179.2	172.2	0	0	112.3	L2548 F2552	L2548-E2550 PolarHBondContact O-N 3.04Å; E2550-F2552 WeakPolarHBondContact O-CD2 3.45Å; E2550-F2552 PolarHBondContact O-N 2.82Å
2551	E	33.2	Very low	34.1	Very low	181 Å²	181	140.8 Å²	140.8	85%	0.846	77%	0.767	S	S	*	*			trans	10.6	105	162.2	-156.8	154	-139.6	0	0	116.8	D2553	E2551-D2553 PolarHBondContact O-N 3.12Å; E2551-D2553 VanDerWaalsContact O-N 3.09Å
2552	F	30.1	Very low	34.9	Very low	173 Å²	173	139.7 Å²	139.7	76%	0.759	76%	0.76	S	S	*	*			trans	-73.9	111	165.6	-79.8	-98.9	0	0	0	111.7	E2550 E2554	E2550-F2552 WeakPolarHBondContact O-CD2 3.45Å; E2550-F2552 PolarHBondContact O-N 2.82Å; F2552-E2554 PolarHBondContact O-N 2.9Å
2553	D	37.1	Very low	35.9	Very low	151.667 Å²	151.667	138.2 Å²	138.2	81%	0.811	75%	0.746	S	S	*	*			trans	-105.6	124.6	141.4	-109.6	-14.9	0	0	0	111.4	E2551 E2555	E2551-D2553 PolarHBondContact O-N 3.12Å; E2551-D2553 VanDerWaalsContact O-N 3.09Å; D2553-E2555 PolarHBondContact O-N 3.09Å
2554	E	36.9	Very low	37.3	Very low	173.667 Å²	173.667	139.7 Å²	139.7	81%	0.812	74%	0.739	S	S	*	*			trans	-81.3	103.2	-178.3	-64.3	-169	132.4	0	0	112.7	F2552 T2556	F2552-E2554 PolarHBondContact O-N 2.9Å; E2554-T2556 VanDerWaalsContact C-N 3.26Å; E2554-T2556 PolarHBondContact O-N 3.1Å; E2554-T2556 PolarHBondContact O-OG1 3.38Å
2555	E	38.3	Very low	38.4	Very low	172.333 Å²	172.333	135 Å²	135	81%	0.805	72%	0.717	S	S	*	*			trans	-142.6	119.1	159	-169.1	160.8	-152.3	0	0	112.6	D2553 T2557	D2553-E2555 PolarHBondContact O-N 3.09Å; E2555-T2557 PolarHBondContact O-N 3.42Å
2556	T	38.6	Very low	39.7	Very low	98.3333 Å²	98.3333	133.5 Å²	133.5	60%	0.603	71%	0.706	S	S	*	*			trans	-78.2	130.8	-170.1	-7.2	0	0	0	0	113.7	Q1807 E2554 I2558	Q1807-T2556 PolarHBondContact OE1-O 2.91Å; E2554-T2556 VanDerWaalsContact C-N 3.26Å; E2554-T2556 PolarHBondContact O-N 3.1Å; E2554-T2556 PolarHBondContact O-OG1 3.38Å; T2556-I2558 VanDerWaalsContact C-N 3.32Å; T2556-I2558 HydrophobicContact CG2-CG1 3.93Å; T2556-I2558 PolarHBondContact O-N 3.26Å; T2556-I2558 VanDerWaalsContact O-N 3.16Å
2557	T	35.3	Very low	41.2	Very low	123.667 Å²	123.667	132.3 Å²	132.3	76%	0.759	70%	0.695	S	S	*	*			trans	-94.8	102.2	146.6	-62.7	0	0	0	0	110.3	Q1809 E2555 G2559	Q1809-T2557 PolarHBondContact NE2-OG1 3.45Å; E2555-T2557 PolarHBondContact O-N 3.42Å; T2557-G2559 VanDerWaalsContact C-N 3.29Å; T2557-G2559 PolarHBondContact O-N 3.41Å; T2557-G2559 VanDerWaalsContact O-N 3.09Å
2558	I	38.1	Very low	42.5	Very low	134.333 Å²	134.333	131.6 Å²	131.6	69%	0.689	69%	0.688	S	S	*	*			trans	-51.3	100.9	172.2	-54.7	176.1	0	0	0	112.6	T2556	T2556-I2558 VanDerWaalsContact C-N 3.32Å; T2556-I2558 HydrophobicContact CG2-CG1 3.93Å; T2556-I2558 PolarHBondContact O-N 3.26Å; T2556-I2558 VanDerWaalsContact O-N 3.16Å
2559	G	38.2	Very low	43.5	Very low	50.6667 Å²	50.6667	130.8 Å²	130.8	52%	0.522	68%	0.68	S	S	.	*			trans	-92.4	154.4	159.7	0	0	0	0	0	112.5	T2557 R2561	T2557-G2559 VanDerWaalsContact C-N 3.29Å; T2557-G2559 PolarHBondContact O-N 3.41Å; T2557-G2559 VanDerWaalsContact O-N 3.09Å; G2559-R2561 PolarHBondContact O-N 3.07Å; G2559-R2561 VanDerWaalsContact O-N 3.09Å
2560	P	38	Very low	44.7	Very low	117.333 Å²	117.333	131.1 Å²	131.1	76%	0.762	67%	0.674	S	S	*	*			trans	-60.6	119.2	-173.7	23.7	-33.4	0	0	0	112.1	T2562	P2560-T2562 VanDerWaalsContact C-N 3.25Å; P2560-T2562 PolarHBondContact O-N 3.11Å
2561	R	38.5	Very low	45.5	Very low	206.333 Å²	206.333	133 Å²	133	78%	0.779	67%	0.673	S	S	*	*			trans	-84.5	91.3	-177.2	-142.5	-179.2	175.9	158.4	1.6	111.3	G2559 T2563	G2559-R2561 PolarHBondContact O-N 3.07Å; G2559-R2561 VanDerWaalsContact O-N 3.09Å; R2561-T2563 PolarHBondContact O-N 3.14Å; R2561-T2563 VanDerWaalsContact O-N 3.1Å; R2561-T2563 PolarHBondContact O-OG1 3.27Å
2562	T	46.7	Very low	46.8	Very low	94.3333 Å²	94.3333	127.3 Å²	127.3	58%	0.579	66%	0.664	S	S	*	*			trans	-66.8	116.3	167.3	52.4	0	0	0	0	110.1	P2560 K2564 L2582	P2560-T2562 VanDerWaalsContact C-N 3.25Å; P2560-T2562 PolarHBondContact O-N 3.11Å; T2562-K2564 PolarHBondContact O-N 2.86Å; T2562-L2582 CarbonylContact C-O 3.52Å; T2562-L2582 WeakPolarHBondContact CA-O 3.47Å
2563	T	52.1	Low	48.2	Very low	78.3333 Å²	78.3333	126.8 Å²	126.8	48%	0.481	67%	0.668	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.9	112.7	-175.9	-32.2	0	0	0	0	110.2	R2561 V2565 L2582	R2561-T2563 PolarHBondContact O-N 3.14Å; R2561-T2563 VanDerWaalsContact O-N 3.1Å; R2561-T2563 PolarHBondContact O-OG1 3.27Å; T2563-V2565 HydrophobicContact CG2-CG2 4.27Å; T2563-V2565 PolarHBondContact O-N 3.06Å; T2563-L2582 PolarHBondContact N-O 3.03Å; T2563-L2582 PolarHBondContact O-N 2.68Å
2564	K	57.2	Low	48.4	Very low	140 Å²	140	129.9 Å²	129.9	61%	0.609	67%	0.669	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-72	109.2	175.2	-144.8	-175.5	172.1	-179.2	0	110.9	T2562 T2566 E2579 E2580 L2581	T2562-K2564 PolarHBondContact O-N 2.86Å; K2564-T2566 PolarHBondContact O-N 3.15Å; K2564-E2579 WeakPolarHBondContact CE-OE1 3.11Å; K2564-E2579 VanDerWaalsContact CE-OE2 3.23Å; K2564-E2579 WeakPolarHBondContact CE-OE2 3.34Å; K2564-E2579 IonicContact NZ-OE1 3.65Å; K2564-E2579 PolarHBondContact NZ-OE1 3.3Å; K2564-E2579 IonicContact NZ-OE2 2.85Å; K2564-E2579 PolarHBondContact NZ-OE2 2.94Å; K2564-E2580 CarbonylContact C-O 3.59Å; K2564-E2580 WeakPolarHBondContact CA-O 3.36Å; K2564-L2581 HydrophobicContact CB-CD2 3.85Å; K2564-L2581 HydrophobicContact CD-CD2 4.48Å; K2564-L2581 HydrophobicContact CG-CD2 4.08Å
2565	V	57.3	Low	49.1	Very low	71.6667 Å²	71.6667	131.5 Å²	131.5	43%	0.434	67%	0.668	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.1	108.8	175.5	-178.1	0	0	0	0	109.4	T2563 T2567 E2580 L2582	T2563-V2565 HydrophobicContact CG2-CG2 4.27Å; T2563-V2565 PolarHBondContact O-N 3.06Å; V2565-T2567 HydrophobicContact CG1-CG2 3.96Å; V2565-E2580 PolarHBondContact N-O 3.32Å; V2565-E2580 PolarHBondContact O-N 3.33Å; V2565-L2582 HydrophobicContact CG2-CD1 3.63Å; V2565-L2582 HydrophobicContact CG2-CG 3.97Å
2566	T	59	Low	49.9	Very low	89.3333 Å²	89.3333	127.6 Å²	127.6	55%	0.548	66%	0.655	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.6	97.9	177.6	-55.8	0	0	0	0	109.9	K2564 M2568 V2577 H2578 E2579	K2564-T2566 PolarHBondContact O-N 3.15Å; T2566-M2568 PolarHBondContact O-N 2.7Å; T2566-V2577 HydrophobicContact CG2-CG1 3.46Å; T2566-V2577 VanDerWaalsContact CG2-CG1 3.41Å; T2566-H2578 CarbonylContact C-O 3.57Å; T2566-H2578 WeakPolarHBondContact CA-O 3.37Å; T2566-E2579 HydrophobicContact CG2-CG 4.2Å; T2566-E2579 PolarHBondContact OG1-OE1 2.83Å
2567	T	60.3	Low	50.7	Low	76.6667 Å²	76.6667	127.5 Å²	127.5	47%	0.47	65%	0.654	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-88.4	127.6	177.3	64.2	0	0	0	0	112	V2565 Q2569 H2578	V2565-T2567 HydrophobicContact CG1-CG2 3.96Å; T2567-Q2569 PolarHBondContact O-N 3.04Å; T2567-Q2569 VanDerWaalsContact O-N 3.16Å; T2567-H2578 PolarHBondContact N-O 2.85Å; T2567-H2578 PolarHBondContact O-N 3.04Å; T2567-H2578 PolarHBondContact OG1-O 2.99Å
2568	M	57.3	Low	51.5	Low	133.667 Å²	133.667	127.1 Å²	127.1	66%	0.658	64%	0.644	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-96	94.9	174.4	-81	-106.8	36.4	0	0	111.2	T2566 K2570 R2575 V2576 V2577	T2566-M2568 PolarHBondContact O-N 2.7Å; M2568-K2570 PolarHBondContact O-N 2.78Å; M2568-R2575 HydrophobicContact CE-CB 3.78Å; M2568-R2575 HydrophobicContact CE-CG 4.31Å; M2568-V2576 CarbonylContact C-O 3.55Å; M2568-V2576 WeakPolarHBondContact CA-O 3.31Å; M2568-V2576 WeakPolarHBondContact CE-O 3.2Å; M2568-V2577 HydrophobicContact CE-CB 4.47Å; M2568-V2577 HydrophobicContact CE-CG2 3.73Å; M2568-V2577 VanDerWaalsContact CE-CG2 3.48Å; M2568-V2577 HydrophobicContact CG-CG2 4.32Å; M2568-V2577 HydrophobicContact SD-CG2 4.39Å
2569	Q	54	Low	52.4	Low	148.667 Å²	148.667	126.9 Å²	126.9	70%	0.695	64%	0.64	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-91.4	127.8	173.1	-134	-179.3	33	0	0	111.6	T2567 R2571 V2576	T2567-Q2569 PolarHBondContact O-N 3.04Å; T2567-Q2569 VanDerWaalsContact O-N 3.16Å; Q2569-R2571 PolarHBondContact O-N 2.74Å; Q2569-V2576 PolarHBondContact N-O 3.07Å; Q2569-V2576 WeakPolarHBondContact O-CB 3.16Å; Q2569-V2576 PolarHBondContact O-N 3Å
2570	K	57	Low	53	Low	165.667 Å²	165.667	129.5 Å²	129.5	72%	0.72	64%	0.638	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-92.3	119.2	177.8	-170.9	176.3	-179.5	-179.8	0	109.9	M2568 G2572 D2573	M2568-K2570 PolarHBondContact O-N 2.78Å; K2570-G2572 WeakPolarHBondContact CE-O 3.44Å; K2570-G2572 WeakPolarHBondContact CG-O 3.47Å; K2570-G2572 PolarHBondContact O-N 3.17Å; K2570-D2573 IonicContact NZ-OD1 3.51Å
2571	R	52.6	Low	53.5	Low	212 Å²	212	130.1 Å²	130.1	80%	0.8	64%	0.635	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-110.4	84.4	174.8	-157.9	-178.6	-149.9	-149.1	2.5	111.9	Q2569 R2574 V2576	Q2569-R2571 PolarHBondContact O-N 2.74Å; R2571-R2574 PolarHBondContact N-O 2.87Å; R2571-R2574 PolarHBondContact O-N 2.96Å; R2571-V2576 HydrophobicContact CB-CG2 4.25Å
2572	G	61	Low	53.7	Low	62 Å²	62	125.6 Å²	125.6	64%	0.639	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	62.4	-169	170.9	0	0	0	0	0	113.6	K2570 R2574	K2570-G2572 WeakPolarHBondContact CE-O 3.44Å; K2570-G2572 WeakPolarHBondContact CG-O 3.47Å; K2570-G2572 PolarHBondContact O-N 3.17Å; G2572-R2574 VanDerWaalsContact C-N 3.26Å; G2572-R2574 PolarHBondContact O-N 3.04Å
2573	D	59.7	Low	53.7	Low	161.333 Å²	161.333	125.2 Å²	125.2	86%	0.863	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.8	0.6	159.2	-86.8	-38.6	0	0	0	112.8	K2570 R2575	K2570-D2573 IonicContact NZ-OD1 3.51Å; D2573-R2575 PolarHBondContact O-N 3.26Å
2574	R	40.9	Very low	53.3	Low	218 Å²	218	128.9 Å²	128.9	82%	0.823	63%	0.634	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-83.3	119.4	178.5	-75.8	-175.9	173.6	-177.3	-2.3	110.7	R2571 G2572 V2576	R2571-R2574 PolarHBondContact N-O 2.87Å; R2571-R2574 PolarHBondContact O-N 2.96Å; G2572-R2574 VanDerWaalsContact C-N 3.26Å; G2572-R2574 PolarHBondContact O-N 3.04Å; R2574-V2576 PolarHBondContact O-N 2.9Å
2575	R	52	Low	52.3	Low	207.667 Å²	207.667	128.5 Å²	128.5	78%	0.784	64%	0.639	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-94.5	124.8	160.3	-79.2	-173.4	-82.6	-163.5	-3.2	108.9	M2568 D2573	M2568-R2575 HydrophobicContact CE-CB 3.78Å; M2568-R2575 HydrophobicContact CE-CG 4.31Å; D2573-R2575 PolarHBondContact O-N 3.26Å
2576	V	55.1	Low	51.4	Low	89 Å²	89	134.7 Å²	134.7	54%	0.539	66%	0.656	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-87.1	134.5	174.6	-176.9	0	0	0	0	107.8	M2568 Q2569 R2571 R2574 H2578	M2568-V2576 CarbonylContact C-O 3.55Å; M2568-V2576 WeakPolarHBondContact CA-O 3.31Å; M2568-V2576 WeakPolarHBondContact CE-O 3.2Å; Q2569-V2576 PolarHBondContact N-O 3.07Å; Q2569-V2576 WeakPolarHBondContact O-CB 3.16Å; Q2569-V2576 PolarHBondContact O-N 3Å; R2571-V2576 HydrophobicContact CB-CG2 4.25Å; R2574-V2576 PolarHBondContact O-N 2.9Å; V2576-H2578 PolarHBondContact O-N 2.86Å
2577	V	54.9	Low	50.4	Low	97.6667 Å²	97.6667	140.4 Å²	140.4	59%	0.592	67%	0.668	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-92.3	119.6	168.6	-179.1	0	0	0	0	106.7	T2566 M2568 E2579	T2566-V2577 HydrophobicContact CG2-CG1 3.46Å; T2566-V2577 VanDerWaalsContact CG2-CG1 3.41Å; M2568-V2577 HydrophobicContact CE-CB 4.47Å; M2568-V2577 HydrophobicContact CE-CG2 3.73Å; M2568-V2577 VanDerWaalsContact CE-CG2 3.48Å; M2568-V2577 HydrophobicContact CG-CG2 4.32Å; M2568-V2577 HydrophobicContact SD-CG2 4.39Å; V2577-E2579 HydrophobicContact CG1-CG 4.04Å
2578	H	51.2	Low	49.3	Very low	114.667 Å²	114.667	143.3 Å²	143.3	53%	0.531	68%	0.676	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.6	128.3	169.8	-163.8	-95.6	0	0	0	107.7	T2566 T2567 V2576 E2580	T2566-H2578 CarbonylContact C-O 3.57Å; T2566-H2578 WeakPolarHBondContact CA-O 3.37Å; T2567-H2578 PolarHBondContact N-O 2.85Å; T2567-H2578 PolarHBondContact O-N 3.04Å; T2567-H2578 PolarHBondContact OG1-O 2.99Å; V2576-H2578 PolarHBondContact O-N 2.86Å; H2578-E2580 HydrophobicContact CB-CG 4.47Å; H2578-E2580 IonicContact CE1-OE1 2.79Å; H2578-E2580 PolarHBondContact CE1-OE1 2.91Å; H2578-E2580 VanDerWaalsContact CE1-OE1 3.31Å; H2578-E2580 IonicContact ND1-OE1 3.2Å; H2578-E2580 PolarHBondContact ND1-OE1 3.1Å; H2578-E2580 IonicContact ND1-OE2 3.71Å; H2578-E2580 PolarHBondContact O-N 2.95Å
2579	E	57.3	Low	48.2	Very low	129 Å²	129	148.3 Å²	148.3	60%	0.603	69%	0.688	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-104.6	97.3	-176.3	-84.8	-173.4	155.4	0	0	109.7	K2564 T2566 V2577 L2581	K2564-E2579 WeakPolarHBondContact CE-OE1 3.11Å; K2564-E2579 VanDerWaalsContact CE-OE2 3.23Å; K2564-E2579 WeakPolarHBondContact CE-OE2 3.34Å; K2564-E2579 IonicContact NZ-OE1 3.65Å; K2564-E2579 PolarHBondContact NZ-OE1 3.3Å; K2564-E2579 IonicContact NZ-OE2 2.85Å; K2564-E2579 PolarHBondContact NZ-OE2 2.94Å; T2566-E2579 HydrophobicContact CG2-CG 4.2Å; T2566-E2579 PolarHBondContact OG1-OE1 2.83Å; V2577-E2579 HydrophobicContact CG1-CG 4.04Å; E2579-L2581 PolarHBondContact O-N 3.34Å; E2579-L2581 VanDerWaalsContact O-N 3.16Å
2580	E	50.3	Low	47.4	Very low	105.333 Å²	105.333	144.7 Å²	144.7	49%	0.492	69%	0.69	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95	126.3	174.8	-73.4	169.4	163.1	0	0	109.6	K2564 V2565 H2578 L2582	K2564-E2580 CarbonylContact C-O 3.59Å; K2564-E2580 WeakPolarHBondContact CA-O 3.36Å; V2565-E2580 PolarHBondContact N-O 3.32Å; V2565-E2580 PolarHBondContact O-N 3.33Å; H2578-E2580 HydrophobicContact CB-CG 4.47Å; H2578-E2580 IonicContact CE1-OE1 2.79Å; H2578-E2580 PolarHBondContact CE1-OE1 2.91Å; H2578-E2580 VanDerWaalsContact CE1-OE1 3.31Å; H2578-E2580 IonicContact ND1-OE1 3.2Å; H2578-E2580 PolarHBondContact ND1-OE1 3.1Å; H2578-E2580 IonicContact ND1-OE2 3.71Å; H2578-E2580 PolarHBondContact O-N 2.95Å; E2580-L2582 PolarHBondContact O-N 2.7Å
2581	L	48.3	Very low	46.3	Very low	131.667 Å²	131.667	139 Å²	139	69%	0.689	67%	0.671	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-89.6	89.6	170.1	-69.1	172.3	0	0	0	108.7	K2564 E2579 T2583	K2564-L2581 HydrophobicContact CB-CD2 3.85Å; K2564-L2581 HydrophobicContact CD-CD2 4.48Å; K2564-L2581 HydrophobicContact CG-CD2 4.08Å; E2579-L2581 PolarHBondContact O-N 3.34Å; E2579-L2581 VanDerWaalsContact O-N 3.16Å; L2581-T2583 PolarHBondContact O-N 2.88Å
2582	L	42.7	Very low	45.8	Very low	110.667 Å²	110.667	132 Å²	132	58%	0.579	65%	0.654	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-79.8	115.2	167.6	-65	-179.7	0	0	0	108.5	T2562 T2563 V2565 E2580	T2562-L2582 CarbonylContact C-O 3.52Å; T2562-L2582 WeakPolarHBondContact CA-O 3.47Å; T2563-L2582 PolarHBondContact N-O 3.03Å; T2563-L2582 PolarHBondContact O-N 2.68Å; V2565-L2582 HydrophobicContact CG2-CD1 3.63Å; V2565-L2582 HydrophobicContact CG2-CG 3.97Å; E2580-L2582 PolarHBondContact O-N 2.7Å
2583	T	47.8	Very low	44.7	Very low	87 Å²	87	134.8 Å²	134.8	53%	0.534	65%	0.654	S	S	.	*			trans	-110.8	123.7	165	-53.8	0	0	0	0	107.7	L2581 D2585	L2581-T2583 PolarHBondContact O-N 2.88Å; T2583-D2585 PolarHBondContact O-N 3.26Å
2584	E	42.6	Very low	43.9	Very low	154.333 Å²	154.333	133 Å²	133	72%	0.721	65%	0.645	S	S	*	*			trans	-77.1	116.9	-179.2	-143.4	105.7	-145.2	0	0	112	Y2586	E2584-Y2586 PolarHBondContact O-N 3.11Å; E2584-Y2586 VanDerWaalsContact O-N 3.13Å
2585	D	37.9	Very low	44	Very low	132.667 Å²	132.667	124.6 Å²	124.6	71%	0.709	62%	0.619	S	S	*	*			trans	-40.8	93.8	174.6	-65.8	-26.2	0	0	0	113.4	T2583 R2587	T2583-D2585 PolarHBondContact O-N 3.26Å; D2585-R2587 PolarHBondContact O-N 3.26Å
2586	Y	36.6	Very low	43.4	Very low	201.667 Å²	201.667	121.3 Å²	121.3	79%	0.791	61%	0.607	S	S	*	*			trans	-88.7	92.8	165.1	-103	-90.1	0	0	0	110.9	E2584 E2588	E2584-Y2586 PolarHBondContact O-N 3.11Å; E2584-Y2586 VanDerWaalsContact O-N 3.13Å; Y2586-E2588 PolarHBondContact O-N 3.2Å; Y2586-E2588 VanDerWaalsContact O-N 3.13Å
2587	R	39.2	Very low	42.9	Very low	209.333 Å²	209.333	122 Å²	122	79%	0.79	61%	0.611	S	S	*	*			trans	-63.4	126.7	167.7	-116.6	-171.6	-172	-123.2	4.4	110.3	D2585 R2589	D2585-R2587 PolarHBondContact O-N 3.26Å; R2587-R2589 PolarHBondContact O-N 3.15Å; R2587-R2589 VanDerWaalsContact O-N 3.1Å
2588	E	37.7	Very low	42.4	Very low	137.667 Å²	137.667	120.4 Å²	120.4	64%	0.643	61%	0.608	S	S	*	*			trans	-22.1	89.1	170	-68.2	-179	179.8	0	0	114.1	Y2586 G2590 S2591 R2596	Y2586-E2588 PolarHBondContact O-N 3.2Å; Y2586-E2588 VanDerWaalsContact O-N 3.13Å; E2588-G2590 PolarHBondContact O-N 2.86Å; E2588-S2591 VanDerWaalsContact OE2-CB 3.32Å; E2588-S2591 WeakPolarHBondContact OE2-CB 3.48Å; E2588-S2591 PolarHBondContact OE2-OG 3.44Å; E2588-R2596 PolarHBondContact O-NH2 2.85Å
2589	R	34.2	Very low	41.9	Very low	238.667 Å²	238.667	122.1 Å²	122.1	90%	0.901	62%	0.616	S	S	*	*	S	Bend	trans	-110	85.2	162	-72.9	-171.1	-178.2	172.2	3.8	110.1	R2587	R2587-R2589 PolarHBondContact O-N 3.15Å; R2587-R2589 VanDerWaalsContact O-N 3.1Å
2590	G	35.4	Very low	40.8	Very low	72.3333 Å²	72.3333	118.4 Å²	118.4	75%	0.746	61%	0.612	S	S	*	*			trans	138.4	16.1	176.5	0	0	0	0	0	114.8	E2588 S2592	E2588-G2590 PolarHBondContact O-N 2.86Å; G2590-S2592 PolarHBondContact O-N 2.95Å; G2590-S2592 VanDerWaalsContact O-N 3.11Å
2591	S	35.4	Very low	40.2	Very low	46 Å²	46	122.4 Å²	122.4	32%	0.322	63%	0.631	S	S	.	*			trans	-57.5	110.4	166.9	18.1	0	0	0	0	110	E2588 S2595 R2596	E2588-S2591 VanDerWaalsContact OE2-CB 3.32Å; E2588-S2591 WeakPolarHBondContact OE2-CB 3.48Å; E2588-S2591 PolarHBondContact OE2-OG 3.44Å; S2591-S2595 VanDerWaalsContact C-OG 3.31Å; S2591-S2595 VanDerWaalsContact CA-OG 3.24Å; S2591-S2595 WeakPolarHBondContact CA-OG 3.35Å; S2591-S2595 WeakPolarHBondContact CB-OG 3.22Å; S2591-R2596 WeakPolarHBondContact OG-CG 3.31Å; S2591-R2596 PolarHBondContact OG-NE 3.1Å; S2591-R2596 PolarHBondContact OG-NH2 3.18Å
2592	S	41.6	Very low	39.4	Very low	64.3333 Å²	64.3333	125.5 Å²	125.5	45%	0.45	64%	0.639	S	S	.	*			trans	-63.4	163.6	173.7	65.6	0	0	0	0	111.5	G2590 D2594 S2595 R2596	G2590-S2592 PolarHBondContact O-N 2.95Å; G2590-S2592 VanDerWaalsContact O-N 3.11Å; S2592-D2594 PolarHBondContact O-N 2.79Å; S2592-D2594 PolarHBondContact OG-N 3.02Å; S2592-S2595 PolarHBondContact N-OG 3.09Å; S2592-S2595 VanDerWaalsContact O-CB 3.27Å; S2592-S2595 WeakPolarHBondContact O-CB 3.43Å; S2592-S2595 PolarHBondContact O-N 3.02Å; S2592-S2595 PolarHBondContact O-OG 2.93Å; S2592-S2595 PolarHBondContact OG-N 2.88Å; S2592-S2595 VanDerWaalsContact OG-N 3.14Å; S2592-S2595 PolarHBondContact OG-OG 3.24Å; S2592-R2596 PolarHBondContact O-N 3.36Å
2593	L	38.2	Very low	39.2	Very low	122.333 Å²	122.333	125.3 Å²	125.3	64%	0.64	65%	0.645	S	S	*	*	H	α-helix	trans	-53.7	-39.5	-178.9	-155.8	128.9	0	0	0	112.1	S2595 R2596 V2597	L2593-S2595 VanDerWaalsContact C-N 3.34Å; L2593-S2595 PolarHBondContact O-N 2.89Å; L2593-R2596 PolarHBondContact O-N 2.88Å; L2593-V2597 HydrophobicContact CD2-CG2 4.08Å; L2593-V2597 WeakPolarHBondContact O-CB 3.49Å; L2593-V2597 VanDerWaalsContact O-CG2 3.29Å; L2593-V2597 WeakPolarHBondContact O-CG2 3.35Å; L2593-V2597 PolarHBondContact O-N 2.85Å; L2593-V2597 VanDerWaalsContact O-N 3.1Å
2594	D	43.5	Very low	38.5	Very low	123.667 Å²	123.667	130.5 Å²	130.5	66%	0.661	65%	0.654	S	S	*	*	H	α-helix	trans	-62.2	-34.5	176.2	-55.9	-58.3	0	0	0	113.5	S2592 R2596 V2597 A2598	S2592-D2594 PolarHBondContact O-N 2.79Å; S2592-D2594 PolarHBondContact OG-N 3.02Å; D2594-R2596 VanDerWaalsContact C-N 3.27Å; D2594-R2596 PolarHBondContact O-N 3.24Å; D2594-V2597 PolarHBondContact O-N 3.28Å; D2594-A2598 WeakPolarHBondContact O-CB 3.35Å; D2594-A2598 PolarHBondContact O-N 2.92Å
2595	S	42.6	Very low	38	Very low	41.6667 Å²	41.6667	128.9 Å²	128.9	29%	0.291	65%	0.647	S	S	.	*	H	α-helix	trans	-68.7	-37	-178.7	23.2	0	0	0	0	112.5	S2591 S2592 L2593 A2598 H2599	S2591-S2595 VanDerWaalsContact C-OG 3.31Å; S2591-S2595 VanDerWaalsContact CA-OG 3.24Å; S2591-S2595 WeakPolarHBondContact CA-OG 3.35Å; S2591-S2595 WeakPolarHBondContact CB-OG 3.22Å; S2592-S2595 PolarHBondContact N-OG 3.09Å; S2592-S2595 VanDerWaalsContact O-CB 3.27Å; S2592-S2595 WeakPolarHBondContact O-CB 3.43Å; S2592-S2595 PolarHBondContact O-N 3.02Å; S2592-S2595 PolarHBondContact O-OG 2.93Å; S2592-S2595 PolarHBondContact OG-N 2.88Å; S2592-S2595 VanDerWaalsContact OG-N 3.14Å; S2592-S2595 PolarHBondContact OG-OG 3.24Å; L2593-S2595 VanDerWaalsContact C-N 3.34Å; L2593-S2595 PolarHBondContact O-N 2.89Å; S2595-A2598 PolarHBondContact O-N 3.21Å; S2595-H2599 WeakPolarHBondContact O-CB 3.35Å; S2595-H2599 PolarHBondContact O-N 3.14Å; S2595-H2599 PolarHBondContact O-ND1 3.47Å
2596	R	38	Very low	37.9	Very low	136.667 Å²	136.667	127.9 Å²	127.9	52%	0.516	65%	0.646	S	S	.	*	H	α-helix	trans	-71.9	-38.2	175.7	-68.3	-171.1	173.5	-175.1	-0.5	112.2	E2588 S2591 S2592 L2593 D2594 A2598 H2599 G2600 D2626	E2588-R2596 PolarHBondContact O-NH2 2.85Å; S2591-R2596 WeakPolarHBondContact OG-CG 3.31Å; S2591-R2596 PolarHBondContact OG-NE 3.1Å; S2591-R2596 PolarHBondContact OG-NH2 3.18Å; S2592-R2596 PolarHBondContact O-N 3.36Å; L2593-R2596 PolarHBondContact O-N 2.88Å; D2594-R2596 VanDerWaalsContact C-N 3.27Å; D2594-R2596 PolarHBondContact O-N 3.24Å; R2596-A2598 VanDerWaalsContact C-N 3.31Å; R2596-A2598 PolarHBondContact O-N 2.9Å; R2596-H2599 PolarHBondContact O-N 3.09Å; R2596-H2599 VanDerWaalsContact O-N 3.14Å; R2596-G2600 PolarHBondContact O-N 3.31Å; R2596-D2626 IonicContact CZ-OD2 3.52Å; R2596-D2626 IonicContact NH1-OD1 2.75Å; R2596-D2626 IonicContact NH1-OD2 3Å; R2596-D2626 PolarHBondContact NH1-OD2 3.34Å; R2596-D2626 IonicContact NH2-OD2 2.79Å
2597	V	46.1	Very low	37.8	Very low	104 Å²	104	124.8 Å²	124.8	63%	0.63	64%	0.638	S	S	*	*	H	α-helix	trans	-65.6	-29.1	173.9	175.8	0	0	0	0	111.9	L2593 D2594 H2599	L2593-V2597 HydrophobicContact CD2-CG2 4.08Å; L2593-V2597 WeakPolarHBondContact O-CB 3.49Å; L2593-V2597 VanDerWaalsContact O-CG2 3.29Å; L2593-V2597 WeakPolarHBondContact O-CG2 3.35Å; L2593-V2597 PolarHBondContact O-N 2.85Å; L2593-V2597 VanDerWaalsContact O-N 3.1Å; D2594-V2597 PolarHBondContact O-N 3.28Å; V2597-H2599 VanDerWaalsContact C-N 3.3Å; V2597-H2599 PolarHBondContact O-N 3.49Å
2598	A	43.3	Very low	37.7	Very low	64.3333 Å²	64.3333	120.2 Å²	120.2	53%	0.532	64%	0.636	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.8	-9.4	180	0	0	0	0	0	115	D2594 S2595 R2596	D2594-A2598 WeakPolarHBondContact O-CB 3.35Å; D2594-A2598 PolarHBondContact O-N 2.92Å; S2595-A2598 PolarHBondContact O-N 3.21Å; R2596-A2598 VanDerWaalsContact C-N 3.31Å; R2596-A2598 PolarHBondContact O-N 2.9Å
2599	H	41	Very low	38	Very low	151.333 Å²	151.333	121 Å²	121	70%	0.701	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.6	15.3	-174.5	-74.8	13.8	0	0	0	114.3	S2595 R2596 V2597 Q2601	S2595-H2599 WeakPolarHBondContact O-CB 3.35Å; S2595-H2599 PolarHBondContact O-N 3.14Å; S2595-H2599 PolarHBondContact O-ND1 3.47Å; R2596-H2599 PolarHBondContact O-N 3.09Å; R2596-H2599 VanDerWaalsContact O-N 3.14Å; V2597-H2599 VanDerWaalsContact C-N 3.3Å; V2597-H2599 PolarHBondContact O-N 3.49Å; H2599-Q2601 PolarHBondContact O-N 3.16Å
2600	G	33.5	Very low	38.4	Very low	50 Å²	50	116.9 Å²	116.9	52%	0.515	64%	0.635	S	S	.	*			trans	-69.1	95.8	164.4	0	0	0	0	0	111.6	R2596 F2602	R2596-G2600 PolarHBondContact O-N 3.31Å; G2600-F2602 PolarHBondContact O-N 3.14Å; G2600-F2602 VanDerWaalsContact O-N 3.16Å
2601	Q	38.1	Very low	38.7	Very low	190 Å²	190	119.8 Å²	119.8	89%	0.888	63%	0.632	S	S	*	*			trans	-71.5	95.2	170.6	-75.5	-167.5	-47.1	0	0	110.1	H2599 P2603	H2599-Q2601 PolarHBondContact O-N 3.16Å; Q2601-P2603 WeakPolarHBondContact O-CD 2.96Å
2602	F	31.4	Very low	39.1	Very low	196.5 Å²	196.5	123.5 Å²	123.5	86%	0.862	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-60.2	129.4	167.5	-80.3	-86.7	0	0	0	110.3	G2600 R2604	G2600-F2602 PolarHBondContact O-N 3.14Å; G2600-F2602 VanDerWaalsContact O-N 3.16Å; F2602-R2604 PolarHBondContact O-N 2.8Å
2603	P	38.6	Very low	39.6	Very low	107.5 Å²	107.5	128.1 Å²	128.1	70%	0.698	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-61.4	135.9	176.6	-0	1	0	0	0	111.3	Q2601 E2605	Q2601-P2603 WeakPolarHBondContact O-CD 2.96Å; P2603-E2605 PolarHBondContact O-N 3.05Å; P2603-E2605 VanDerWaalsContact O-N 3.09Å
2604	R	34.7	Very low	40.1	Very low	194.5 Å²	194.5	129.8 Å²	129.8	73%	0.734	67%	0.672	S	S	*	*	S	Bend	trans	-69.2	112.9	-171.5	-169.5	-178.8	-171.4	-70.6	-9.1	111.9	E2503 F2602 T2606	E2503-R2604 IonicContact OE2-NH2 2.95Å; F2602-R2604 PolarHBondContact O-N 2.8Å; R2604-T2606 PolarHBondContact O-N 3.07Å
2605	E	31.5	Very low	40.2	Very low	121 Å²	121	131.1 Å²	131.1	57%	0.565	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	43.6	59.7	164.3	-63.6	159.6	163.2	0	0	116.1	P2603 N2684	P2603-E2605 PolarHBondContact O-N 3.05Å; P2603-E2605 VanDerWaalsContact O-N 3.09Å; E2605-N2684 PolarHBondContact OE1-ND2 3.35Å
2606	T	35.8	Very low	40.2	Very low	112 Å²	112	136.4 Å²	136.4	69%	0.687	70%	0.696	S	S	*	*			trans	-95.2	142.6	162.4	-47.8	0	0	0	0	109.7	R2604	R2604-T2606 PolarHBondContact O-N 3.07Å
2607	H	33.4	Very low	40.7	Very low	137 Å²	137	136.2 Å²	136.2	63%	0.634	70%	0.7	S	S	*	*			trans	-61.1	128.9	-170.8	-147.1	-101.8	0	0	0	111.4	Q2609	H2607-Q2609 PolarHBondContact CE1-OE1 3.4Å; H2607-Q2609 PolarHBondContact ND1-OE1 3.03Å; H2607-Q2609 PolarHBondContact O-N 3.31Å
2608	P	38	Very low	40.8	Very low	113 Å²	113	138.2 Å²	138.2	73%	0.734	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	67.1	-169.9	32.5	-37	0	0	0	112.4
2609	Q	43.3	Very low	41.2	Very low	153.5 Å²	153.5	141.4 Å²	141.4	72%	0.717	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.5	-19.8	177.6	-90.9	158.7	-0.8	0	0	114.2	H2607	H2607-Q2609 PolarHBondContact CE1-OE1 3.4Å; H2607-Q2609 PolarHBondContact ND1-OE1 3.03Å; H2607-Q2609 PolarHBondContact O-N 3.31Å
2610	D	42	Very low	41.7	Very low	153 Å²	153	139.4 Å²	139.4	82%	0.818	70%	0.697	S	S	*	*	S	Bend	trans	-122.6	40.9	-176.1	-63.3	-60	0	0	0	113.3
2611	I	42.7	Very low	42.9	Very low	132.5 Å²	132.5	140.5 Å²	140.5	68%	0.679	69%	0.694	S	S	*	*			trans	-103.2	118.7	170	-60	179	0	0	0	108.6
2612	D	43.8	Very low	43.8	Very low	125.5 Å²	125.5	135.3 Å²	135.3	67%	0.671	67%	0.673	S	S	*	*			trans	-78.3	143.1	-174.7	-157.6	-13.6	0	0	0	111.7	H2614	D2612-H2614 PolarHBondContact O-N 2.92Å; D2612-H2614 VanDerWaalsContact O-N 3.08Å
2613	L	51.2	Low	45.2	Very low	160 Å²	160	131.5 Å²	131.5	84%	0.838	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	-5.2	-169.1	-100.7	95.2	0	0	0	114.5
2614	H	49.3	Very low	46.2	Very low	158.5 Å²	158.5	132.9 Å²	132.9	73%	0.734	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	-30.5	-173.9	-97.8	-68.5	0	0	0	114.7	D2612 M2616 H2617	D2612-H2614 PolarHBondContact O-N 2.92Å; D2612-H2614 VanDerWaalsContact O-N 3.08Å; H2614-M2616 VanDerWaalsContact C-N 3.31Å; H2614-M2616 PolarHBondContact O-N 3.14Å; H2614-H2617 PolarHBondContact O-N 3.42Å
2615	E	45.6	Very low	48.1	Very low	150.5 Å²	150.5	127 Å²	127	70%	0.703	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	-21.8	-170.5	-160.5	166.8	-133.3	0	0	113.3	H2617	E2615-H2617 VanDerWaalsContact C-N 3.3Å; E2615-H2617 PolarHBondContact O-N 3.04Å
2616	M	42	Very low	50	Low	153.5 Å²	153.5	124.4 Å²	124.4	76%	0.756	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	-21.6	179.4	-83.6	-131.4	64.7	0	0	114.9	H2614	H2614-M2616 VanDerWaalsContact C-N 3.31Å; H2614-M2616 PolarHBondContact O-N 3.14Å
2617	H	49.3	Very low	51.8	Low	131 Å²	131	121.6 Å²	121.6	61%	0.606	62%	0.616	S	S	*	*	H	α-helix	trans	-82.5	-30.1	-169.5	-156.2	3.8	0	0	0	113.4	H2614 E2615 E2620 T2621	H2614-H2617 PolarHBondContact O-N 3.42Å; E2615-H2617 VanDerWaalsContact C-N 3.3Å; E2615-H2617 PolarHBondContact O-N 3.04Å; H2617-E2620 IonicContact ND1-OE2 3.45Å; H2617-E2620 PolarHBondContact O-N 3.14Å; H2617-T2621 PolarHBondContact O-N 3.18Å; H2617-T2621 PolarHBondContact O-OG1 3.09Å
2618	E	48	Very low	53.8	Low	147.5 Å²	147.5	120.5 Å²	120.5	69%	0.689	61%	0.612	S	S	*	*	H	α-helix	trans	-71.2	-40.1	-175.1	-57.8	-163.8	155.9	0	0	112	E2620 T2621 D2622	E2618-E2620 VanDerWaalsContact C-N 3.33Å; E2618-E2620 PolarHBondContact O-N 3.21Å; E2618-T2621 WeakPolarHBondContact CA-OG1 3.28Å; E2618-T2621 PolarHBondContact O-N 2.98Å; E2618-T2621 VanDerWaalsContact O-N 3.16Å; E2618-T2621 PolarHBondContact O-OG1 3.08Å; E2618-D2622 PolarHBondContact O-N 3.15Å; E2618-D2622 VanDerWaalsContact O-N 3.11Å
2619	H	52.4	Low	55.7	Low	131 Å²	131	119.6 Å²	119.6	61%	0.606	60%	0.6	S	S	*	*	H	α-helix	trans	-64.1	-27.4	177	-73.3	-40.6	0	0	0	114.3	I2623	H2619-I2623 WeakPolarHBondContact O-CD1 3.41Å; H2619-I2623 WeakPolarHBondContact O-CG1 3.15Å; H2619-I2623 PolarHBondContact O-N 3.47Å
2620	E	50.5	Low	57.3	Low	108.5 Å²	108.5	115.7 Å²	115.7	51%	0.507	59%	0.588	S	S	.	*	H	α-helix	trans	-73	-38.4	175.9	-162.4	172.9	-155.3	0	0	110.8	H2617 E2618 D2622 I2623 Y2624	H2617-E2620 IonicContact ND1-OE2 3.45Å; H2617-E2620 PolarHBondContact O-N 3.14Å; E2618-E2620 VanDerWaalsContact C-N 3.33Å; E2618-E2620 PolarHBondContact O-N 3.21Å; E2620-D2622 PolarHBondContact O-N 3.46Å; E2620-I2623 PolarHBondContact O-N 3.13Å; E2620-Y2624 HydrophobicContact CG-CD2 4.38Å; E2620-Y2624 HydrophobicContact CG-CE2 4.01Å; E2620-Y2624 VanDerWaalsContact O-CD2 3.26Å; E2620-Y2624 WeakPolarHBondContact O-CD2 3.43Å; E2620-Y2624 PolarHBondContact O-N 3.17Å
2621	T	59	Low	59	Low	73 Å²	73	112.5 Å²	112.5	45%	0.448	57%	0.571	S	S	.	*	H	α-helix	trans	-66.1	-37.2	175.8	29.7	0	0	0	0	114.1	H2617 E2618 I2623 Y2624 T2625	H2617-T2621 PolarHBondContact O-N 3.18Å; H2617-T2621 PolarHBondContact O-OG1 3.09Å; E2618-T2621 WeakPolarHBondContact CA-OG1 3.28Å; E2618-T2621 PolarHBondContact O-N 2.98Å; E2618-T2621 VanDerWaalsContact O-N 3.16Å; E2618-T2621 PolarHBondContact O-OG1 3.08Å; T2621-I2623 VanDerWaalsContact C-N 3.33Å; T2621-I2623 PolarHBondContact O-N 2.86Å; T2621-Y2624 PolarHBondContact O-N 2.9Å; T2621-T2625 WeakPolarHBondContact O-CG2 3.31Å; T2621-T2625 PolarHBondContact O-N 3.35Å; T2621-T2625 PolarHBondContact O-OG1 3.04Å; T2621-T2625 VanDerWaalsContact O-OG1 3.07Å
2622	D	58.2	Low	60.8	Low	82.5 Å²	82.5	111.1 Å²	111.1	44%	0.441	56%	0.561	S	S	.	*	H	α-helix	trans	-62.6	-40.4	177.4	-81.1	-7.7	0	0	0	111.7	E2618 E2620 Y2624 T2625 D2626	E2618-D2622 PolarHBondContact O-N 3.15Å; E2618-D2622 VanDerWaalsContact O-N 3.11Å; E2620-D2622 PolarHBondContact O-N 3.46Å; D2622-Y2624 VanDerWaalsContact C-N 3.33Å; D2622-Y2624 PolarHBondContact O-N 3.43Å; D2622-T2625 PolarHBondContact O-N 3.16Å; D2622-T2625 PolarHBondContact O-OG1 3.28Å; D2622-T2625 VanDerWaalsContact O-OG1 3.07Å; D2622-D2626 PolarHBondContact O-N 2.8Å; D2622-D2626 VanDerWaalsContact O-N 3.11Å
2623	I	60.2	Low	62.4	Low	115.5 Å²	115.5	109.3 Å²	109.3	59%	0.592	55%	0.551	S	S	*	*	H	α-helix	trans	-64.5	-39.7	178.2	-64	167.4	0	0	0	111.3	H2619 E2620 T2621 A2627	H2619-I2623 WeakPolarHBondContact O-CD1 3.41Å; H2619-I2623 WeakPolarHBondContact O-CG1 3.15Å; H2619-I2623 PolarHBondContact O-N 3.47Å; E2620-I2623 PolarHBondContact O-N 3.13Å; T2621-I2623 VanDerWaalsContact C-N 3.33Å; T2621-I2623 PolarHBondContact O-N 2.86Å; I2623-A2627 WeakPolarHBondContact O-CB 3.29Å; I2623-A2627 PolarHBondContact O-N 3.25Å; I2623-A2627 VanDerWaalsContact O-N 3.15Å
2624	Y	59	Low	63.8	Low	137.5 Å²	137.5	104.2 Å²	104.2	54%	0.539	53%	0.525	S	S	.	.	H	α-helix	trans	-66.4	-38.8	176.7	-81.9	-65.6	0	0	0	112.8	M1877 E2620 T2621 D2622 A2627 E2628	M1877-Y2624 HydrophobicContact SD-CE1 4.29Å; E2620-Y2624 HydrophobicContact CG-CD2 4.38Å; E2620-Y2624 HydrophobicContact CG-CE2 4.01Å; E2620-Y2624 VanDerWaalsContact O-CD2 3.26Å; E2620-Y2624 WeakPolarHBondContact O-CD2 3.43Å; E2620-Y2624 PolarHBondContact O-N 3.17Å; T2621-Y2624 PolarHBondContact O-N 2.9Å; D2622-Y2624 VanDerWaalsContact C-N 3.33Å; D2622-Y2624 PolarHBondContact O-N 3.43Å; Y2624-A2627 PolarHBondContact O-N 3.4Å; Y2624-E2628 PolarHBondContact O-N 3.07Å; Y2624-E2628 VanDerWaalsContact O-N 3.14Å
2625	T	75.1	Confident	65.4	Low	71.5 Å²	71.5	99.4 Å²	99.4	44%	0.439	50%	0.504	S	S	.	.	H	α-helix	trans	-72	-41.6	179.7	54.2	0	0	0	0	112.9	T2621 D2622 A2627 E2628 I2629	T2621-T2625 WeakPolarHBondContact O-CG2 3.31Å; T2621-T2625 PolarHBondContact O-N 3.35Å; T2621-T2625 PolarHBondContact O-OG1 3.04Å; T2621-T2625 VanDerWaalsContact O-OG1 3.07Å; D2622-T2625 PolarHBondContact O-N 3.16Å; D2622-T2625 PolarHBondContact O-OG1 3.28Å; D2622-T2625 VanDerWaalsContact O-OG1 3.07Å; T2625-A2627 VanDerWaalsContact C-N 3.29Å; T2625-A2627 PolarHBondContact O-N 3.17Å; T2625-E2628 PolarHBondContact O-N 2.86Å; T2625-I2629 VanDerWaalsContact O-CG1 3.29Å; T2625-I2629 WeakPolarHBondContact O-CG1 3.43Å; T2625-I2629 PolarHBondContact O-N 3.09Å
2626	D	70.8	Confident	67	Low	66 Å²	66	100.7 Å²	100.7	35%	0.353	51%	0.508	S	S	.	.	H	α-helix	trans	-60.7	-38.5	172.9	-89.7	-18	0	0	0	111.8	R2596 D2622 I2629 C2630	R2596-D2626 IonicContact CZ-OD2 3.52Å; R2596-D2626 IonicContact NH1-OD1 2.75Å; R2596-D2626 IonicContact NH1-OD2 3Å; R2596-D2626 PolarHBondContact NH1-OD2 3.34Å; R2596-D2626 IonicContact NH2-OD2 2.79Å; D2622-D2626 PolarHBondContact O-N 2.8Å; D2622-D2626 VanDerWaalsContact O-N 3.11Å; D2626-I2629 PolarHBondContact O-N 3.3Å; D2626-C2630 WeakPolarHBondContact O-CB 3.46Å; D2626-C2630 PolarHBondContact O-N 2.87Å
2627	A	73.4	Confident	68.7	Low	52.5 Å²	52.5	98.4 Å²	98.4	43%	0.434	50%	0.502	S	S	.	.	H	α-helix	trans	-66.2	-40.4	176.1	0	0	0	0	0	112.6	I2623 Y2624 T2625 C2630 L2631	I2623-A2627 WeakPolarHBondContact O-CB 3.29Å; I2623-A2627 PolarHBondContact O-N 3.25Å; I2623-A2627 VanDerWaalsContact O-N 3.15Å; Y2624-A2627 PolarHBondContact O-N 3.4Å; T2625-A2627 VanDerWaalsContact C-N 3.29Å; T2625-A2627 PolarHBondContact O-N 3.17Å; A2627-C2630 WeakPolarHBondContact O-CB 3.39Å; A2627-C2630 PolarHBondContact O-N 3.11Å; A2627-L2631 PolarHBondContact O-N 3.37Å
2628	E	75.6	Confident	70.2	Confident	115 Å²	115	96.7 Å²	96.7	54%	0.537	49%	0.49	S	S	.	.	H	α-helix	trans	-65.9	-43.2	174	-176.1	169.9	-170	0	0	111.5	Y2624 T2625 C2630 L2631 Q2632	Y2624-E2628 PolarHBondContact O-N 3.07Å; Y2624-E2628 VanDerWaalsContact O-N 3.14Å; T2625-E2628 PolarHBondContact O-N 2.86Å; E2628-C2630 VanDerWaalsContact C-N 3.28Å; E2628-C2630 PolarHBondContact O-N 3.36Å; E2628-L2631 PolarHBondContact O-N 2.94Å; E2628-L2631 VanDerWaalsContact O-N 3.11Å; E2628-Q2632 HydrophobicContact CG-CG 4.17Å; E2628-Q2632 WeakPolarHBondContact O-CB 3.49Å; E2628-Q2632 VanDerWaalsContact O-CG 3.27Å; E2628-Q2632 WeakPolarHBondContact O-CG 3.34Å; E2628-Q2632 PolarHBondContact O-N 3.03Å
2629	I	79.1	Confident	71.8	Confident	94 Å²	94	91.1 Å²	91.1	48%	0.482	47%	0.472	S	S	.	.	H	α-helix	trans	-59.2	-41	175.2	-69.1	164.2	0	0	0	110.7	T2625 D2626 Q2632 N2633	T2625-I2629 VanDerWaalsContact O-CG1 3.29Å; T2625-I2629 WeakPolarHBondContact O-CG1 3.43Å; T2625-I2629 PolarHBondContact O-N 3.09Å; D2626-I2629 PolarHBondContact O-N 3.3Å; I2629-Q2632 PolarHBondContact O-N 3.46Å; I2629-N2633 WeakPolarHBondContact O-CB 3.48Å; I2629-N2633 VanDerWaalsContact O-CG 3.31Å; I2629-N2633 PolarHBondContact O-N 2.73Å; I2629-N2633 PolarHBondContact O-ND2 2.83Å
2630	C	75.7	Confident	73.2	Confident	71 Å²	71	90.5 Å²	90.5	48%	0.48	47%	0.47	S	S	.	.	H	α-helix	trans	-61.5	-47.6	174	-169.5	0	0	0	0	111.8	D2626 A2627 E2628 Q2632 N2633 L2634	D2626-C2630 WeakPolarHBondContact O-CB 3.46Å; D2626-C2630 PolarHBondContact O-N 2.87Å; A2627-C2630 WeakPolarHBondContact O-CB 3.39Å; A2627-C2630 PolarHBondContact O-N 3.11Å; E2628-C2630 VanDerWaalsContact C-N 3.28Å; E2628-C2630 PolarHBondContact O-N 3.36Å; C2630-Q2632 PolarHBondContact O-N 2.91Å; C2630-N2633 PolarHBondContact O-N 3.46Å; C2630-L2634 WeakPolarHBondContact O-CG 3.37Å; C2630-L2634 PolarHBondContact O-N 3.07Å
2631	L	77.9	Confident	74.4	Confident	86 Å²	86	91.8 Å²	91.8	45%	0.45	48%	0.476	S	S	.	.	H	α-helix	trans	-62.4	-42.4	178.4	-166.2	80.6	0	0	0	112.3	A2627 E2628 L2634 L2635 L2643	A2627-L2631 PolarHBondContact O-N 3.37Å; E2628-L2631 PolarHBondContact O-N 2.94Å; E2628-L2631 VanDerWaalsContact O-N 3.11Å; L2631-L2634 PolarHBondContact O-N 3.15Å; L2631-L2635 HydrophobicContact CD2-CD1 4.48Å; L2631-L2635 HydrophobicContact CG-CD1 4.32Å; L2631-L2635 WeakPolarHBondContact O-CB 3.31Å; L2631-L2635 WeakPolarHBondContact O-CG 3.2Å; L2631-L2635 PolarHBondContact O-N 3.2Å; L2631-L2643 HydrophobicContact CD1-CD2 4.24Å
2632	Q	79.7	Confident	75.2	Confident	102.5 Å²	102.5	92.4 Å²	92.4	48%	0.479	47%	0.47	S	S	.	.	H	α-helix	trans	-64.1	-39.8	176.8	-68.9	-71.8	0.2	0	0	111.6	E2628 I2629 C2630 L2635 K2636	E2628-Q2632 HydrophobicContact CG-CG 4.17Å; E2628-Q2632 WeakPolarHBondContact O-CB 3.49Å; E2628-Q2632 VanDerWaalsContact O-CG 3.27Å; E2628-Q2632 WeakPolarHBondContact O-CG 3.34Å; E2628-Q2632 PolarHBondContact O-N 3.03Å; I2629-Q2632 PolarHBondContact O-N 3.46Å; C2630-Q2632 PolarHBondContact O-N 2.91Å; Q2632-L2635 PolarHBondContact O-N 3.05Å; Q2632-K2636 VanDerWaalsContact O-CB 3.29Å; Q2632-K2636 WeakPolarHBondContact O-CB 3.4Å; Q2632-K2636 PolarHBondContact O-N 3.01Å
2633	N	78.1	Confident	76.3	Confident	87 Å²	87	89 Å²	89	47%	0.465	45%	0.452	S	S	.	.	H	α-helix	trans	-65.4	-41.7	173.8	-76.8	-43.8	0	0	0	111.9	I2629 C2630 K2636 V2637	I2629-N2633 WeakPolarHBondContact O-CB 3.48Å; I2629-N2633 VanDerWaalsContact O-CG 3.31Å; I2629-N2633 PolarHBondContact O-N 2.73Å; I2629-N2633 PolarHBondContact O-ND2 2.83Å; C2630-N2633 PolarHBondContact O-N 3.46Å; N2633-K2636 PolarHBondContact O-N 3.08Å; N2633-V2637 WeakPolarHBondContact O-CB 3.21Å; N2633-V2637 VanDerWaalsContact O-CG2 3.31Å; N2633-V2637 WeakPolarHBondContact O-CG2 3.32Å; N2633-V2637 PolarHBondContact O-N 2.92Å
2634	L	80.9	Confident	77.2	Confident	54 Å²	54	87.1 Å²	87.1	28%	0.283	44%	0.443	S	S	.	.	H	α-helix	trans	-64.9	-41.6	174.6	-69.5	173	0	0	0	112.3	C2630 L2631 K2636 V2637 W2638 L2643	C2630-L2634 WeakPolarHBondContact O-CG 3.37Å; C2630-L2634 PolarHBondContact O-N 3.07Å; L2631-L2634 PolarHBondContact O-N 3.15Å; L2634-K2636 VanDerWaalsContact C-N 3.28Å; L2634-K2636 PolarHBondContact O-N 3.02Å; L2634-V2637 PolarHBondContact O-N 2.9Å; L2634-W2638 HydrophobicContact CD2-CD2 4.19Å; L2634-W2638 HydrophobicContact CD2-CE3 4.12Å; L2634-W2638 HydrophobicContact CD2-CH2 3.77Å; L2634-W2638 HydrophobicContact CD2-CZ2 3.85Å; L2634-W2638 HydrophobicContact CD2-CZ3 3.91Å; L2634-W2638 WeakPolarHBondContact O-CB 3.31Å; L2634-W2638 PolarHBondContact O-N 2.74Å; L2634-L2643 HydrophobicContact CB-CD1 4.24Å; L2634-L2643 HydrophobicContact CB-CD2 4.46Å; L2634-L2643 HydrophobicContact CD1-CD1 4.49Å
2635	L	83.5	Confident	77.8	Confident	57.5 Å²	57.5	83.2 Å²	83.2	30%	0.301	44%	0.436	S	S	.	.	H	α-helix	trans	-58.8	-39.1	172.2	-82.4	163.8	0	0	0	112	L2631 Q2632 G2639 E2640 L2643	L2631-L2635 HydrophobicContact CD2-CD1 4.48Å; L2631-L2635 HydrophobicContact CG-CD1 4.32Å; L2631-L2635 WeakPolarHBondContact O-CB 3.31Å; L2631-L2635 WeakPolarHBondContact O-CG 3.2Å; L2631-L2635 PolarHBondContact O-N 3.2Å; Q2632-L2635 PolarHBondContact O-N 3.05Å; L2635-G2639 WeakPolarHBondContact O-CA 3.25Å; L2635-G2639 PolarHBondContact O-N 3.14Å; L2635-E2640 HydrophobicContact CD2-CB 4.29Å; L2635-L2643 HydrophobicContact CD2-CD2 3.79Å; L2635-L2643 HydrophobicContact CG-CD2 3.72Å
2636	K	78.4	Confident	77.6	Confident	178.5 Å²	178.5	84.4 Å²	84.4	78%	0.776	43%	0.432	S	S	*	.	H	α-helix	trans	-75	-33.1	179.8	-174.2	178.3	178.2	-176.4	0	113.7	Q2632 N2633 L2634	Q2632-K2636 VanDerWaalsContact O-CB 3.29Å; Q2632-K2636 WeakPolarHBondContact O-CB 3.4Å; Q2632-K2636 PolarHBondContact O-N 3.01Å; N2633-K2636 PolarHBondContact O-N 3.08Å; L2634-K2636 VanDerWaalsContact C-N 3.28Å; L2634-K2636 PolarHBondContact O-N 3.02Å
2637	V	78.1	Confident	77.8	Confident	105 Å²	105	85.7 Å²	85.7	64%	0.636	44%	0.439	S	S	*	.	H	α-helix	trans	-90.7	-36.4	-176.7	175.9	0	0	0	0	112.6	N2633 L2634	N2633-V2637 WeakPolarHBondContact O-CB 3.21Å; N2633-V2637 VanDerWaalsContact O-CG2 3.31Å; N2633-V2637 WeakPolarHBondContact O-CG2 3.32Å; N2633-V2637 PolarHBondContact O-N 2.92Å; L2634-V2637 PolarHBondContact O-N 2.9Å
2638	W	81.7	Confident	77.8	Confident	95 Å²	95	90.9 Å²	90.9	36%	0.36	45%	0.447	S	S	.	.	H	α-helix	trans	-103.5	-22.8	-178.9	-63.1	-15.6	0	0	0	114	L2634 Y2642 L2643 R2646	L2634-W2638 HydrophobicContact CD2-CD2 4.19Å; L2634-W2638 HydrophobicContact CD2-CE3 4.12Å; L2634-W2638 HydrophobicContact CD2-CH2 3.77Å; L2634-W2638 HydrophobicContact CD2-CZ2 3.85Å; L2634-W2638 HydrophobicContact CD2-CZ3 3.91Å; L2634-W2638 WeakPolarHBondContact O-CB 3.31Å; L2634-W2638 PolarHBondContact O-N 2.74Å; W2638-Y2642 HydrophobicContact CB-CD1 3.68Å; W2638-Y2642 HydrophobicContact CB-CE1 4.44Å; W2638-Y2642 HydrophobicContact CB-CG 4.18Å; W2638-Y2642 AromaticContact CD2-CD1 3.86Å; W2638-Y2642 HydrophobicContact CD2-CD1 3.86Å; W2638-Y2642 AromaticContact CD2-CE1 3.89Å; W2638-Y2642 HydrophobicContact CD2-CE1 3.89Å; W2638-Y2642 AromaticContact CE3-CD1 3.9Å; W2638-Y2642 HydrophobicContact CE3-CD1 3.9Å; W2638-Y2642 HydrophobicContact CE3-CE1 4.04Å; W2638-Y2642 AromaticContact CG-CD1 3.78Å; W2638-Y2642 HydrophobicContact CG-CD1 3.78Å; W2638-Y2642 HydrophobicContact CG-CE1 4.07Å; W2638-Y2642 VanDerWaalsContact O-CB 3.28Å; W2638-Y2642 WeakPolarHBondContact O-CB 3.18Å; W2638-L2643 HydrophobicContact CE3-CD1 3.81Å; W2638-L2643 HydrophobicContact CZ3-CD1 3.96Å; W2638-R2646 VanDerWaalsContact CH2-NH1 3.34Å; W2638-R2646 VanDerWaalsContact CZ3-CD 3.42Å; W2638-R2646 HydrophobicContact CZ3-CG 4.38Å
2639	G	81.5	Confident	77.3	Confident	30 Å²	30	88.6 Å²	88.6	31%	0.309	44%	0.441	S	S	.	.			trans	76.4	154.4	-169.9	0	0	0	0	0	113.2	L2635 Q2641 Y2642 L2643	L2635-G2639 WeakPolarHBondContact O-CA 3.25Å; L2635-G2639 PolarHBondContact O-N 3.14Å; G2639-Q2641 VanDerWaalsContact C-N 3.34Å; G2639-Q2641 PolarHBondContact O-N 3.16Å; G2639-Y2642 PolarHBondContact O-N 3.03Å; G2639-L2643 WeakPolarHBondContact O-CB 3.4Å; G2639-L2643 PolarHBondContact O-N 3.4Å; G2639-L2643 VanDerWaalsContact O-N 3.08Å
2640	E	79.9	Confident	76.8	Confident	119 Å²	119	88.6 Å²	88.6	56%	0.556	44%	0.441	S	S	*	.	H	α-helix	trans	-54	-46.1	-175.6	-173.4	-168.7	-170.6	0	0	113	L2635 Y2642 L2643 L2644	L2635-E2640 HydrophobicContact CD2-CB 4.29Å; E2640-Y2642 PolarHBondContact O-N 3.36Å; E2640-L2643 PolarHBondContact O-N 3.34Å; E2640-L2644 HydrophobicContact CG-CD1 3.77Å; E2640-L2644 HydrophobicContact CG-CG 4.24Å; E2640-L2644 WeakPolarHBondContact O-CB 3.39Å; E2640-L2644 VanDerWaalsContact O-CG 3.3Å; E2640-L2644 WeakPolarHBondContact O-CG 3.41Å; E2640-L2644 PolarHBondContact O-N 3.31Å
2641	Q	77.4	Confident	75.6	Confident	135 Å²	135	87.7 Å²	87.7	63%	0.631	44%	0.444	S	S	*	.	H	α-helix	trans	-66.6	-37.6	-174.3	-61.4	-59.5	-43.4	0	0	112.8	G2639 S2645	G2639-Q2641 VanDerWaalsContact C-N 3.34Å; G2639-Q2641 PolarHBondContact O-N 3.16Å; Q2641-S2645 VanDerWaalsContact O-CB 3.28Å; Q2641-S2645 WeakPolarHBondContact O-CB 3.37Å; Q2641-S2645 PolarHBondContact O-N 3.14Å; Q2641-S2645 VanDerWaalsContact O-N 3.11Å; Q2641-S2645 PolarHBondContact O-OG 3.11Å
2642	Y	74.3	Confident	74.4	Confident	85.5 Å²	85.5	91.4 Å²	91.4	34%	0.335	45%	0.452	S	S	.	.	H	α-helix	trans	-72.2	-45.8	175.3	-172.2	-83.2	0	0	0	110.7	W2638 G2639 E2640 L2644 S2645 R2646	W2638-Y2642 HydrophobicContact CB-CD1 3.68Å; W2638-Y2642 HydrophobicContact CB-CE1 4.44Å; W2638-Y2642 HydrophobicContact CB-CG 4.18Å; W2638-Y2642 AromaticContact CD2-CD1 3.86Å; W2638-Y2642 HydrophobicContact CD2-CD1 3.86Å; W2638-Y2642 AromaticContact CD2-CE1 3.89Å; W2638-Y2642 HydrophobicContact CD2-CE1 3.89Å; W2638-Y2642 AromaticContact CE3-CD1 3.9Å; W2638-Y2642 HydrophobicContact CE3-CD1 3.9Å; W2638-Y2642 HydrophobicContact CE3-CE1 4.04Å; W2638-Y2642 AromaticContact CG-CD1 3.78Å; W2638-Y2642 HydrophobicContact CG-CD1 3.78Å; W2638-Y2642 HydrophobicContact CG-CE1 4.07Å; W2638-Y2642 VanDerWaalsContact O-CB 3.28Å; W2638-Y2642 WeakPolarHBondContact O-CB 3.18Å; G2639-Y2642 PolarHBondContact O-N 3.03Å; E2640-Y2642 PolarHBondContact O-N 3.36Å; Y2642-L2644 PolarHBondContact O-N 3.14Å; Y2642-S2645 CarbonylContact O-C 3.13Å; Y2642-S2645 WeakPolarHBondContact O-CB 3.34Å; Y2642-S2645 PolarHBondContact O-N 3Å; Y2642-S2645 VanDerWaalsContact O-N 3.09Å; Y2642-R2646 HydrophobicContact CD1-CG 3.98Å; Y2642-R2646 HydrophobicContact CE1-CB 4.44Å; Y2642-R2646 HydrophobicContact CE1-CG 4.01Å; Y2642-R2646 WeakPolarHBondContact O-CB 3.38Å; Y2642-R2646 PolarHBondContact O-N 3.07Å
2643	L	82.3	Confident	73	Confident	12 Å²	12	94.9 Å²	94.9	6%	0.063	46%	0.462	C	S	.	.	H	α-helix	trans	-59.8	-47.2	178.8	-176.7	63.7	0	0	0	111.6	L2631 L2634 L2635 W2638 G2639 E2640 S2645 R2646 L2647	L2631-L2643 HydrophobicContact CD1-CD2 4.24Å; L2634-L2643 HydrophobicContact CB-CD1 4.24Å; L2634-L2643 HydrophobicContact CB-CD2 4.46Å; L2634-L2643 HydrophobicContact CD1-CD1 4.49Å; L2635-L2643 HydrophobicContact CD2-CD2 3.79Å; L2635-L2643 HydrophobicContact CG-CD2 3.72Å; W2638-L2643 HydrophobicContact CE3-CD1 3.81Å; W2638-L2643 HydrophobicContact CZ3-CD1 3.96Å; G2639-L2643 WeakPolarHBondContact O-CB 3.4Å; G2639-L2643 PolarHBondContact O-N 3.4Å; G2639-L2643 VanDerWaalsContact O-N 3.08Å; E2640-L2643 PolarHBondContact O-N 3.34Å; L2643-S2645 VanDerWaalsContact C-N 3.31Å; L2643-S2645 PolarHBondContact O-N 2.94Å; L2643-R2646 PolarHBondContact O-N 3.02Å; L2643-L2647 HydrophobicContact CD1-CD1 4.25Å; L2643-L2647 HydrophobicContact CD1-CG 4.35Å; L2643-L2647 HydrophobicContact CG-CD1 3.99Å; L2643-L2647 HydrophobicContact CG-CG 4.49Å; L2643-L2647 WeakPolarHBondContact O-CB 3.47Å; L2643-L2647 VanDerWaalsContact O-CG 3.27Å; L2643-L2647 WeakPolarHBondContact O-CG 3.4Å; L2643-L2647 PolarHBondContact O-N 3.24Å
2644	L	78	Confident	71.1	Confident	75 Å²	75	93.3 Å²	93.3	39%	0.393	46%	0.458	S	S	.	.	H	α-helix	trans	-62.5	-35.8	175	-71.9	177.1	0	0	0	112.5	E2640 Y2642 R2648	E2640-L2644 HydrophobicContact CG-CD1 3.77Å; E2640-L2644 HydrophobicContact CG-CG 4.24Å; E2640-L2644 WeakPolarHBondContact O-CB 3.39Å; E2640-L2644 VanDerWaalsContact O-CG 3.3Å; E2640-L2644 WeakPolarHBondContact O-CG 3.41Å; E2640-L2644 PolarHBondContact O-N 3.31Å; Y2642-L2644 PolarHBondContact O-N 3.14Å; L2644-R2648 VanDerWaalsContact O-CB 3.22Å; L2644-R2648 WeakPolarHBondContact O-CB 3.4Å; L2644-R2648 PolarHBondContact O-N 2.82Å
2645	S	73.2	Confident	69.1	Low	56 Å²	56	100.2 Å²	100.2	39%	0.392	49%	0.488	S	S	.	.	H	α-helix	trans	-69	-44.1	175.7	-62	0	0	0	0	111.6	Q2641 Y2642 L2643 L2647 R2648 T2649	Q2641-S2645 VanDerWaalsContact O-CB 3.28Å; Q2641-S2645 WeakPolarHBondContact O-CB 3.37Å; Q2641-S2645 PolarHBondContact O-N 3.14Å; Q2641-S2645 VanDerWaalsContact O-N 3.11Å; Q2641-S2645 PolarHBondContact O-OG 3.11Å; Y2642-S2645 CarbonylContact O-C 3.13Å; Y2642-S2645 WeakPolarHBondContact O-CB 3.34Å; Y2642-S2645 PolarHBondContact O-N 3Å; Y2642-S2645 VanDerWaalsContact O-N 3.09Å; L2643-S2645 VanDerWaalsContact C-N 3.31Å; L2643-S2645 PolarHBondContact O-N 2.94Å; S2645-L2647 PolarHBondContact O-N 3.41Å; S2645-R2648 PolarHBondContact O-N 3.3Å; S2645-T2649 WeakPolarHBondContact O-CB 3.3Å; S2645-T2649 PolarHBondContact O-N 2.99Å; S2645-T2649 PolarHBondContact O-OG1 3.06Å
2646	R	70.6	Confident	66.7	Low	95.5 Å²	95.5	103.6 Å²	103.6	36%	0.36	51%	0.506	S	S	.	.	H	α-helix	trans	-62	-46.4	175.1	-122.1	-123.8	-158.2	-156.6	4.8	111.7	W2638 Y2642 L2643 R2648 T2649 I2650	W2638-R2646 VanDerWaalsContact CH2-NH1 3.34Å; W2638-R2646 VanDerWaalsContact CZ3-CD 3.42Å; W2638-R2646 HydrophobicContact CZ3-CG 4.38Å; Y2642-R2646 HydrophobicContact CD1-CG 3.98Å; Y2642-R2646 HydrophobicContact CE1-CB 4.44Å; Y2642-R2646 HydrophobicContact CE1-CG 4.01Å; Y2642-R2646 WeakPolarHBondContact O-CB 3.38Å; Y2642-R2646 PolarHBondContact O-N 3.07Å; L2643-R2646 PolarHBondContact O-N 3.02Å; R2646-R2648 VanDerWaalsContact C-N 3.35Å; R2646-R2648 PolarHBondContact O-N 3.17Å; R2646-T2649 WeakPolarHBondContact O-CB 3.3Å; R2646-T2649 PolarHBondContact O-N 2.84Å; R2646-T2649 VanDerWaalsContact O-N 3.12Å; R2646-I2650 HydrophobicContact CG-CD1 4.41Å; R2646-I2650 WeakPolarHBondContact O-CB 3.25Å; R2646-I2650 VanDerWaalsContact O-CG1 3.3Å; R2646-I2650 WeakPolarHBondContact O-CG1 3.33Å; R2646-I2650 PolarHBondContact O-N 3.14Å
2647	L	73.9	Confident	64.4	Low	93 Å²	93	100.3 Å²	100.3	49%	0.487	51%	0.506	S	S	.	.	H	α-helix	trans	-62.4	-42.3	176.1	-71.1	170.7	0	0	0	111.9	L2643 S2645 T2649 I2650 G2651	L2643-L2647 HydrophobicContact CD1-CD1 4.25Å; L2643-L2647 HydrophobicContact CD1-CG 4.35Å; L2643-L2647 HydrophobicContact CG-CD1 3.99Å; L2643-L2647 HydrophobicContact CG-CG 4.49Å; L2643-L2647 WeakPolarHBondContact O-CB 3.47Å; L2643-L2647 VanDerWaalsContact O-CG 3.27Å; L2643-L2647 WeakPolarHBondContact O-CG 3.4Å; L2643-L2647 PolarHBondContact O-N 3.24Å; S2645-L2647 PolarHBondContact O-N 3.41Å; L2647-T2649 PolarHBondContact O-N 3.47Å; L2647-I2650 PolarHBondContact O-N 2.73Å; L2647-G2651 PolarHBondContact O-N 3.17Å
2648	R	73.7	Confident	62.3	Low	162.5 Å²	162.5	101.2 Å²	101.2	61%	0.613	51%	0.511	S	S	*	.	H	α-helix	trans	-64.6	-30.4	173.8	-174.3	-175.6	-62.3	164.3	3.1	112.9	L2644 S2645 R2646 R2652	L2644-R2648 VanDerWaalsContact O-CB 3.22Å; L2644-R2648 WeakPolarHBondContact O-CB 3.4Å; L2644-R2648 PolarHBondContact O-N 2.82Å; S2645-R2648 PolarHBondContact O-N 3.3Å; R2646-R2648 VanDerWaalsContact C-N 3.35Å; R2646-R2648 PolarHBondContact O-N 3.17Å; R2648-R2652 VanDerWaalsContact O-CD 3.29Å; R2648-R2652 WeakPolarHBondContact O-CD 3.36Å; R2648-R2652 VanDerWaalsContact O-CG 3.31Å; R2648-R2652 WeakPolarHBondContact O-CG 3.32Å; R2648-R2652 PolarHBondContact O-N 2.97Å
2649	T	66.3	Low	60	Low	66 Å²	66	101.6 Å²	101.6	41%	0.405	53%	0.528	S	S	.	.	H	α-helix	trans	-75.6	-46.5	175.7	-61.6	0	0	0	0	111	S2645 R2646 L2647 G2651 R2652 Y2653	S2645-T2649 WeakPolarHBondContact O-CB 3.3Å; S2645-T2649 PolarHBondContact O-N 2.99Å; S2645-T2649 PolarHBondContact O-OG1 3.06Å; R2646-T2649 WeakPolarHBondContact O-CB 3.3Å; R2646-T2649 PolarHBondContact O-N 2.84Å; R2646-T2649 VanDerWaalsContact O-N 3.12Å; L2647-T2649 PolarHBondContact O-N 3.47Å; T2649-G2651 PolarHBondContact O-N 3.2Å; T2649-R2652 WeakPolarHBondContact O-CB 3.49Å; T2649-R2652 PolarHBondContact O-N 2.87Å; T2649-Y2653 HydrophobicContact CG2-CD2 3.84Å; T2649-Y2653 HydrophobicContact CG2-CE2 3.62Å; T2649-Y2653 WeakPolarHBondContact O-CD2 3.41Å; T2649-Y2653 PolarHBondContact O-N 2.91Å; T2649-Y2653 VanDerWaalsContact O-N 3.17Å
2650	I	66.8	Low	57.7	Low	95 Å²	95	107.5 Å²	107.5	49%	0.487	55%	0.552	S	S	.	*	H	α-helix	trans	-60.7	-45.2	176	-67.3	162.2	0	0	0	110.6	R2646 L2647 R2652 Y2653 S2654	R2646-I2650 HydrophobicContact CG-CD1 4.41Å; R2646-I2650 WeakPolarHBondContact O-CB 3.25Å; R2646-I2650 VanDerWaalsContact O-CG1 3.3Å; R2646-I2650 WeakPolarHBondContact O-CG1 3.33Å; R2646-I2650 PolarHBondContact O-N 3.14Å; L2647-I2650 PolarHBondContact O-N 2.73Å; I2650-R2652 PolarHBondContact O-N 2.89Å; I2650-R2652 VanDerWaalsContact O-N 3.08Å; I2650-Y2653 PolarHBondContact O-N 3.35Å; I2650-Y2653 VanDerWaalsContact O-N 3.11Å; I2650-S2654 PolarHBondContact O-N 3.07Å
2651	G	51.6	Low	55.4	Low	52.5 Å²	52.5	108.5 Å²	108.5	54%	0.541	56%	0.561	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.5	5.5	174	0	0	0	0	0	115.7	L2647 T2649	L2647-G2651 PolarHBondContact O-N 3.17Å; T2649-G2651 PolarHBondContact O-N 3.2Å
2652	R	52.7	Low	53.1	Low	163.5 Å²	163.5	112.5 Å²	112.5	62%	0.617	57%	0.571	S	S	*	*	H	α-helix	trans	-110.3	-14.4	167.7	-76.9	172.9	173	-130.4	1.6	113.4	R2648 T2649 I2650 T2774	R2648-R2652 VanDerWaalsContact O-CD 3.29Å; R2648-R2652 WeakPolarHBondContact O-CD 3.36Å; R2648-R2652 VanDerWaalsContact O-CG 3.31Å; R2648-R2652 WeakPolarHBondContact O-CG 3.32Å; R2648-R2652 PolarHBondContact O-N 2.97Å; T2649-R2652 WeakPolarHBondContact O-CB 3.49Å; T2649-R2652 PolarHBondContact O-N 2.87Å; I2650-R2652 PolarHBondContact O-N 2.89Å; I2650-R2652 VanDerWaalsContact O-N 3.08Å; R2652-T2774 PolarHBondContact NH1-OG1 3.13Å
2653	Y	50.2	Low	51.1	Low	175 Å²	175	113.1 Å²	113.1	69%	0.686	59%	0.588	S	S	*	*	H	α-helix	trans	-112.6	0.4	-178	-67.7	-52.3	0	0	0	113.7	T2649 I2650	T2649-Y2653 HydrophobicContact CG2-CD2 3.84Å; T2649-Y2653 HydrophobicContact CG2-CE2 3.62Å; T2649-Y2653 WeakPolarHBondContact O-CD2 3.41Å; T2649-Y2653 PolarHBondContact O-N 2.91Å; T2649-Y2653 VanDerWaalsContact O-N 3.17Å; I2650-Y2653 PolarHBondContact O-N 3.35Å; I2650-Y2653 VanDerWaalsContact O-N 3.11Å
2654	S	38.9	Very low	48.8	Very low	54 Å²	54	119.8 Å²	119.8	38%	0.378	62%	0.622	S	S	.	*	S	Bend	trans	-123.3	137.2	173.4	-170	0	0	0	0	110.2	I2650 L2656	I2650-S2654 PolarHBondContact O-N 3.07Å; S2654-L2656 PolarHBondContact O-N 2.83Å; S2654-L2656 WeakPolarHBondContact OG-CB 3.04Å; S2654-L2656 WeakPolarHBondContact OG-CG 3.3Å; S2654-L2656 PolarHBondContact OG-N 2.64Å
2655	E	37.5	Very low	46.5	Very low	198 Å²	198	124 Å²	124	93%	0.925	64%	0.639	S	S	*	*	S	Bend	trans	-69.6	-0.4	175	-62.2	-173.5	136.4	0	0	113.1	S2657	E2655-S2657 VanDerWaalsContact C-N 3.34Å; E2655-S2657 PolarHBondContact O-N 2.97Å
2656	L	34.6	Very low	44.6	Very low	129 Å²	129	127.7 Å²	127.7	68%	0.675	66%	0.659	S	S	*	*			trans	-68.8	82	166.5	-64.5	175.1	0	0	0	110.3	S2654 V2658	S2654-L2656 PolarHBondContact O-N 2.83Å; S2654-L2656 WeakPolarHBondContact OG-CB 3.04Å; S2654-L2656 WeakPolarHBondContact OG-CG 3.3Å; S2654-L2656 PolarHBondContact OG-N 2.64Å; L2656-V2658 HydrophobicContact CB-CG2 4.37Å; L2656-V2658 PolarHBondContact O-N 2.87Å
2657	S	29.3	Very low	42.6	Very low	110.5 Å²	110.5	127.1 Å²	127.1	77%	0.773	68%	0.675	S	S	*	*			trans	-69	70.8	170.8	63.8	0	0	0	0	111	E2655 S2659	E2655-S2657 VanDerWaalsContact C-N 3.34Å; E2655-S2657 PolarHBondContact O-N 2.97Å; S2657-S2659 VanDerWaalsContact C-N 3.34Å; S2657-S2659 PolarHBondContact O-N 2.95Å
2658	V	32.8	Very low	40.6	Very low	123 Å²	123	130.3 Å²	130.3	75%	0.745	69%	0.687	S	S	*	*			trans	-70	87.6	170.9	-176.6	0	0	0	0	108	L2656 L2660	L2656-V2658 HydrophobicContact CB-CG2 4.37Å; L2656-V2658 PolarHBondContact O-N 2.87Å; V2658-L2660 PolarHBondContact O-N 3.26Å
2659	S	33.5	Very low	38.6	Very low	103.5 Å²	103.5	131.5 Å²	131.5	72%	0.724	70%	0.697	S	S	*	*			trans	-64	98.5	170.9	53.2	0	0	0	0	108.9	S2657 D2661	S2657-S2659 VanDerWaalsContact C-N 3.34Å; S2657-S2659 PolarHBondContact O-N 2.95Å; S2659-D2661 PolarHBondContact O-N 3.23Å
2660	L	34.5	Very low	37	Very low	154.5 Å²	154.5	134.3 Å²	134.3	81%	0.809	72%	0.719	S	S	*	*			trans	-72.5	68.6	175.5	-171	71	0	0	0	109.9	V2658 R2662	V2658-L2660 PolarHBondContact O-N 3.26Å; L2660-R2662 PolarHBondContact O-N 3.15Å
2661	D	30.2	Very low	35.1	Very low	140.5 Å²	140.5	140.6 Å²	140.6	75%	0.751	74%	0.737	S	S	*	*			trans	-79.8	95.3	-174.3	-160.6	-4.3	0	0	0	110.8	S2659 S2663	S2659-D2661 PolarHBondContact O-N 3.23Å; D2661-S2663 PolarHBondContact O-N 3.24Å
2662	R	30.9	Very low	34.2	Very low	218 Å²	218	145.4 Å²	145.4	82%	0.823	75%	0.749	S	S	*	*			trans	-99.8	54.4	-165.7	-161	-173.7	-174.6	-172.5	3.3	112.3	L2660	L2660-R2662 PolarHBondContact O-N 3.15Å
2663	S	31.1	Very low	33.3	Very low	99 Å²	99	142.5 Å²	142.5	69%	0.692	75%	0.75	S	S	*	*			trans	-137.3	99.5	171.3	59	0	0	0	0	114.4	D2661	D2661-S2663 PolarHBondContact O-N 3.24Å
2664	I	34.2	Very low	32.3	Very low	152 Å²	152	140.4 Å²	140.4	78%	0.779	75%	0.746	S	S	*	*			trans	-15.2	121.2	147.9	-60.9	169.9	0	0	0	112.8	T2666	I2664-T2666 PolarHBondContact O-N 3.15Å; I2664-T2666 VanDerWaalsContact O-N 3.14Å
2665	H	29.9	Very low	31.9	Very low	163.5 Å²	163.5	141 Å²	141	76%	0.757	76%	0.755	S	S	*	*			trans	0.3	110.9	161	-53.1	-70	0	0	0	116.8
2666	T	32.7	Very low	31.6	Very low	133.5 Å²	133.5	138.8 Å²	138.8	82%	0.819	74%	0.742	S	S	*	*			trans	-160.6	147.1	134.6	2.1	0	0	0	0	110.4	I2664	I2664-T2666 PolarHBondContact O-N 3.15Å; I2664-T2666 VanDerWaalsContact O-N 3.14Å
2667	A	29.9	Very low	31.3	Very low	83 Å²	83	137.6 Å²	137.6	69%	0.686	74%	0.74	S	S	*	*			trans	-84.4	152.3	-173.6	0	0	0	0	0	112
2668	E	32.3	Very low	31.5	Very low	159 Å²	159	140.6 Å²	140.6	74%	0.743	74%	0.742	S	S	*	*				-164.7	159.5	76.5	-82.3	-162.4	141.6	0	0	115.7
2669	K	31.5	Very low	31.2	Very low	188 Å²	188	144.4 Å²	144.4	82%	0.817	75%	0.749	S	S	*	*			trans	-14.7	111.5	163	-64.9	164	-173.9	160	0	116.5
2670	S	31.2	Very low	31.1	Very low	124.5 Å²	124.5	145.9 Å²	145.9	87%	0.871	75%	0.754	S	S	*	*			trans	-154.1	118.8	137.9	51.3	0	0	0	0	110.6
2671	R	28.5	Very low	30.9	Very low	227.5 Å²	227.5	143.7 Å²	143.7	86%	0.858	75%	0.751	S	S	*	*			trans	139	90	137.4	-170.7	-167.4	-173.3	-169	3.5	112.9
2672	L	31.4	Very low	31.1	Very low	154 Å²	154	143.5 Å²	143.5	81%	0.806	76%	0.756	S	S	*	*			trans	-158.8	136.9	145.6	-77.7	173.5	0	0	0	107.7
2673	V	34.2	Very low	31	Very low	103.5 Å²	103.5	136.3 Å²	136.3	63%	0.627	75%	0.748	S	S	*	*			cis	136.2	126.2	-9.6	157.2	0	0	0	0	111.7
2674	E	28.8	Very low	31	Very low	129 Å²	129	138 Å²	138	60%	0.603	75%	0.75	S	S	*	*			trans	56.4	107.5	160.1	-164.5	154.1	-139.7	0	0	119.6	V1869 Q1870 K2676	V1869-E2674 HydrophobicContact CG2-CG 4.26Å; Q1870-E2674 PolarHBondContact N-O 3.35Å; Q1870-E2674 VanDerWaalsContact N-O 3.14Å; E2674-K2676 WeakPolarHBondContact OE1-CD 3.4Å; E2674-K2676 WeakPolarHBondContact OE1-CE 3.4Å; E2674-K2676 IonicContact OE1-NZ 3.42Å; E2674-K2676 PolarHBondContact OE1-NZ 2.64Å
2675	A	30.3	Very low	30.8	Very low	68 Å²	68	137.7 Å²	137.7	56%	0.562	75%	0.749	S	S	*	*			trans	-135.2	123.3	162.6	0	0	0	0	0	109.1	Q1870 T1872	Q1870-A2675 HydrophobicContact CB-CB 3.85Å; Q1870-A2675 CarbonylContact O-C 3.6Å; Q1870-A2675 VanDerWaalsContact O-C 3.25Å; Q1870-A2675 WeakPolarHBondContact O-CA 3.38Å; T1872-A2675 VanDerWaalsContact CB-CB 3.42Å; T1872-A2675 HydrophobicContact CG2-CB 4.45Å; T1872-A2675 WeakPolarHBondContact OG1-CB 3.37Å
2676	K	31.2	Very low	30.9	Very low	152 Å²	152	135.3 Å²	135.3	66%	0.661	75%	0.745	S	S	*	*			trans	-146.5	133.5	-173.8	-115.9	-178	-172.5	162.5	0	111.5	Q1870 E2674	Q1870-K2676 CarbonylContact O-C 3.57Å; Q1870-K2676 WeakPolarHBondContact O-CA 3.28Å; Q1870-K2676 PolarHBondContact O-N 3.11Å; E2674-K2676 WeakPolarHBondContact OE1-CD 3.4Å; E2674-K2676 WeakPolarHBondContact OE1-CE 3.4Å; E2674-K2676 IonicContact OE1-NZ 3.42Å; E2674-K2676 PolarHBondContact OE1-NZ 2.64Å
2677	T	29.6	Very low	30.9	Very low	102.5 Å²	102.5	133.9 Å²	133.9	63%	0.629	74%	0.741	S	S	*	*			trans	117.4	122.9	150.1	54.6	0	0	0	0	112.9
2678	Q	32.2	Very low	31	Very low	175 Å²	175	137.7 Å²	137.7	82%	0.818	75%	0.745	S	S	*	*				138.4	129	95.8	-86.8	176	-15.8	0	0	111.6
2679	F	26.8	Very low	30.9	Very low	201.5 Å²	201.5	136.3 Å²	136.3	88%	0.884	74%	0.741	S	S	*	*			trans	-98.9	139.5	173.5	-88	-89.2	0	0	0	110.2
2680	T	32.6	Very low	30.8	Very low	135 Å²	135	138 Å²	138	83%	0.828	74%	0.742	S	S	*	*			trans	-140.9	135.1	159.2	49.9	0	0	0	0	108
2681	S	30.2	Very low	30.9	Very low	108 Å²	108	138.6 Å²	138.6	76%	0.755	74%	0.736	S	S	*	*				-116.4	137	95.2	115.8	0	0	0	0	111.6
2682	T	32.9	Very low	31	Very low	138 Å²	138	134.5 Å²	134.5	85%	0.847	73%	0.73	S	S	*	*			trans	104	135.4	149.2	35.4	0	0	0	0	114.4
2683	G	30.2	Very low	31	Very low	65 Å²	65	134.6 Å²	134.6	67%	0.67	73%	0.727	S	S	*	*			cis	136.8	134.9	0.6	0	0	0	0	0	112.4
2684	N	30.5	Very low	30.8	Very low	135 Å²	135	135.5 Å²	135.5	72%	0.722	73%	0.728	S	S	*	*			trans	66	143.9	179.8	-68	-9.5	0	0	0	115.7	E2605	E2605-N2684 PolarHBondContact OE1-ND2 3.35Å
2685	L	30.7	Very low	30.9	Very low	147 Å²	147	137.7 Å²	137.7	77%	0.77	74%	0.742	S	S	*	*			cis	-157.5	154.7	16	-90.8	123.7	0	0	0	107.5
2686	V	31.4	Very low	31	Very low	111.5 Å²	111.5	137.2 Å²	137.2	68%	0.676	74%	0.743	S	S	*	*			cis	123.6	134.6	18.4	128.2	0	0	0	0	111.4
2687	S	32.7	Very low	31.1	Very low	104 Å²	104	135.9 Å²	135.9	73%	0.727	75%	0.748	S	S	*	*			trans	141	125.7	147.9	-60.7	0	0	0	0	112.8
2688	Q	31.8	Very low	31.1	Very low	163 Å²	163	139.1 Å²	139.1	76%	0.762	76%	0.756	S	S	*	*			cis	127.4	145.5	23.6	-109.6	-172.1	5.6	0	0	113.5
2689	I	29.7	Very low	31.1	Very low	129.5 Å²	129.5	136.2 Å²	136.2	66%	0.664	75%	0.75	S	S	*	*			trans	71.6	123.4	152.8	-64.6	161.6	0	0	0	117.1
2690	R	29.9	Very low	31.4	Very low	224 Å²	224	131.1 Å²	131.1	85%	0.845	74%	0.739	S	S	*	*				-143.1	116.9	69.8	-155	-176.4	-71.8	-159.3	-2.6	112.2
2691	N	32.8	Very low	31.3	Very low	137 Å²	137	131.9 Å²	131.9	73%	0.733	74%	0.738	S	S	*	*			trans	161.4	132.3	162.7	-71.4	-25.2	0	0	0	112
2692	L	31	Very low	31.6	Very low	142.5 Å²	142.5	134.7 Å²	134.7	75%	0.746	74%	0.743	S	S	*	*				-58.4	147.4	77.6	-127.6	70.2	0	0	0	117
2693	E	31.3	Very low	31.5	Very low	156 Å²	156	135 Å²	135	73%	0.729	74%	0.739	S	S	*	*			trans	71.1	125.3	160.1	-70.9	178	167.1	0	0	119.5
2694	N	29.8	Very low	31.8	Very low	123 Å²	123	139.6 Å²	139.6	66%	0.658	75%	0.747	S	S	*	*				138.9	140.2	59.7	-94.6	-32.1	0	0	0	116.4
2695	I	32.5	Very low	31.9	Very low	175 Å²	175	139.5 Å²	139.5	90%	0.897	75%	0.746	S	S	*	*			trans	67.7	132.9	166	-50.5	149	0	0	0	115.3
2696	G	32.1	Very low	32.1	Very low	56.5 Å²	56.5	139.1 Å²	139.1	58%	0.582	75%	0.749	S	S	*	*			cis	173.3	164.2	-5.8	0	0	0	0	0	112.2
2697	T	31.7	Very low	32	Very low	125.5 Å²	125.5	145 Å²	145	77%	0.77	76%	0.759	S	S	*	*			trans	60.8	117.2	170.7	50.5	0	0	0	0	119.9
2698	Q	31	Very low	32.3	Very low	169.5 Å²	169.5	145.7 Å²	145.7	79%	0.792	76%	0.761	S	S	*	*				67.6	140.2	112.6	-65.2	-172.4	51.1	0	0	117.5
2699	T	30.8	Very low	32.6	Very low	114 Å²	114	143.5 Å²	143.5	70%	0.699	76%	0.761	S	S	*	*			cis	-163.8	155.5	-6	14.5	0	0	0	0	111.7
2700	S	34.5	Very low	32.9	Very low	93.5 Å²	93.5	145 Å²	145	65%	0.654	77%	0.765	S	S	*	*			trans	42.3	115.5	147.2	1.9	0	0	0	0	123.2
2701	D	29.6	Very low	33.1	Very low	151.5 Å²	151.5	143.8 Å²	143.8	81%	0.81	77%	0.766	S	S	*	*				35.4	126.4	118.7	-46.5	-40.9	0	0	0	121.8
2702	I	36.1	Very low	33.2	Very low	167 Å²	167	143.6 Å²	143.6	86%	0.856	77%	0.765	S	S	*	*				-155	137.1	129.3	-80.9	172.8	0	0	0	111.7
2703	L	30.8	Very low	33.4	Very low	146 Å²	146	146.8 Å²	146.8	76%	0.764	77%	0.773	S	S	*	*			trans	-84.3	144.5	173.1	-93.1	148.6	0	0	0	112.4	I2705	L2703-I2705 HydrophobicContact CD2-CD1 4.11Å; L2703-I2705 HydrophobicContact CD2-CG1 4.48Å
2704	L	36.9	Very low	33.6	Very low	160 Å²	160	149.9 Å²	149.9	84%	0.838	78%	0.778	S	S	*	*			trans	-164.2	130.7	152.5	-104	154.4	0	0	0	109.3
2705	I	31.9	Very low	33.9	Very low	133.5 Å²	133.5	151.3 Å²	151.3	69%	0.685	78%	0.784	S	S	*	*				-27.1	114.4	109.5	-54.9	172.4	0	0	0	111.8	L2703	L2703-I2705 HydrophobicContact CD2-CD1 4.11Å; L2703-I2705 HydrophobicContact CD2-CG1 4.48Å
2706	T	35.1	Very low	34	Very low	138 Å²	138	151 Å²	151	85%	0.847	78%	0.779	S	S	*	*			trans	-155.5	133.3	148.6	17.5	0	0	0	0	113.2
2707	R	29.8	Very low	34.1	Very low	236 Å²	236	158.9 Å²	158.9	89%	0.891	79%	0.791	S	S	*	*			trans	-22.6	137.1	161.6	-128.6	-175.3	-173.3	-179.6	1.4	117.2
2708	P	38.3	Very low	34.1	Very low	118 Å²	118	156.4 Å²	156.4	77%	0.766	79%	0.79	S	S	*	*			trans	-87.6	164.7	176.2	37	-35.9	0	0	0	113.4
2709	P	39.4	Very low	34.1	Very low	117 Å²	117	160.2 Å²	160.2	76%	0.76	80%	0.798	S	S	*	*			trans	-140.8	153.8	141	37.7	-22.6	0	0	0	116.7
2710	H	34.9	Very low	34	Very low	162 Å²	162	159.5 Å²	159.5	75%	0.75	80%	0.798	S	S	*	*			trans	17.1	140.3	162.8	-81	-88.7	0	0	0	119.8
2711	K	35.6	Very low	34	Very low	198 Å²	198	164.2 Å²	164.2	86%	0.861	81%	0.806	S	S	*	*				130.6	107.9	79.3	-88.5	169.1	-177.2	174.7	0	114.6
2712	N	34.1	Very low	34.2	Very low	133.5 Å²	133.5	164.8 Å²	164.8	71%	0.714	81%	0.808	S	S	*	*			trans	-130.6	133.6	155.6	-75.9	-44.2	0	0	0	111.1
2713	K	36.2	Very low	33.9	Very low	209 Å²	209	162.6 Å²	162.6	91%	0.909	81%	0.807	S	S	*	*				141.6	114.9	116.4	-74.9	-168.5	177.3	179.9	0	112.6
2714	R	33.9	Very low	33.9	Very low	221 Å²	221	159.2 Å²	159.2	83%	0.834	81%	0.808	S	S	*	*			trans	-141.1	117.6	160.9	-174.7	179	-174.1	175.8	4.3	110.5
2715	I	36.8	Very low	33.7	Very low	153 Å²	153	154.7 Å²	154.7	79%	0.785	80%	0.8	S	S	*	*			trans	-102.8	125.4	168.4	-62.8	171.2	0	0	0	106.5	R2717	I2715-R2717 HydrophobicContact CG2-CB 3.95Å; I2715-R2717 HydrophobicContact CG2-CG 4.01Å; I2715-R2717 VanDerWaalsContact CG2-N 3.32Å
2716	Q	35.5	Very low	33.7	Very low	168.5 Å²	168.5	154.5 Å²	154.5	79%	0.787	81%	0.805	S	S	*	*				153.6	95.3	98.8	-162.3	174.3	10.5	0	0	111.3
2717	R	33.6	Very low	33.7	Very low	221.5 Å²	221.5	154.9 Å²	154.9	84%	0.836	80%	0.802	S	S	*	*				-120.8	147.9	74.2	-97	-177.6	-179.9	-171.7	-0.3	108.5	I2715	I2715-R2717 HydrophobicContact CG2-CB 3.95Å; I2715-R2717 HydrophobicContact CG2-CG 4.01Å; I2715-R2717 VanDerWaalsContact CG2-N 3.32Å
2718	G	30.7	Very low	33.8	Very low	74 Å²	74	152.2 Å²	152.2	76%	0.763	80%	0.799	S	S	*	*			trans	150.9	131.3	163.4	0	0	0	0	0	112.7
2719	R	31.6	Very low	33.8	Very low	249.5 Å²	249.5	152.3 Å²	152.3	94%	0.942	80%	0.8	S	S	*	*			cis	-135.9	144.8	-0.1	-67.5	-178.7	174	-163.9	-1.5	110.4
2720	S	28.1	Very low	33.8	Very low	100 Å²	100	151.7 Å²	151.7	70%	0.699	80%	0.796	S	S	*	*			trans	-153.9	73.5	174.5	61.3	0	0	0	0	111.4
2721	F	34.3	Very low	34.2	Very low	191 Å²	191	149.2 Å²	149.2	84%	0.838	79%	0.794	S	S	*	*			trans	-150.4	130.1	173.2	-64.5	-65.9	0	0	0	105.8
2722	I	34.8	Very low	34.1	Very low	164 Å²	164	145.9 Å²	145.9	84%	0.841	79%	0.791	S	S	*	*			cis	143.5	144.9	38.4	-55.1	173.8	0	0	0	109.6
2723	S	29.8	Very low	34.1	Very low	121.5 Å²	121.5	150.9 Å²	150.9	85%	0.85	80%	0.8	S	S	*	*			trans	-88.1	150.1	-179.7	-172.7	0	0	0	0	112.7
2724	G	31.1	Very low	34	Very low	75 Å²	75	146.4 Å²	146.4	77%	0.773	80%	0.795	S	S	*	*			trans	123.8	130.9	171.8	0	0	0	0	0	114.9
2725	G	31.3	Very low	34.1	Very low	64.5 Å²	64.5	139 Å²	139	67%	0.665	79%	0.788	S	S	*	*				135.4	135.4	71.8	0	0	0	0	0	116
2726	T	31.9	Very low	33.9	Very low	128.5 Å²	128.5	137.5 Å²	137.5	79%	0.788	79%	0.79	S	S	*	*			trans	65.2	136.5	156.2	63.3	0	0	0	0	119.7
2727	N	35.6	Very low	34	Very low	146.5 Å²	146.5	135.2 Å²	135.2	78%	0.783	79%	0.787	S	S	*	*			trans	78.3	104.1	151	-56.2	-19	0	0	0	118.3
2728	Q	32.3	Very low	34.2	Very low	179.5 Å²	179.5	130.8 Å²	130.8	84%	0.839	79%	0.785	S	S	*	*				74.7	131.7	106.3	-113.3	-171.6	-20.8	0	0	115.7
2729	P	37.5	Very low	34.3	Very low	121.5 Å²	121.5	132.1 Å²	132.1	79%	0.789	78%	0.783	S	S	*	*			trans	-127.7	157.4	133.1	27.1	-6.2	0	0	0	117.1
2730	P	41	Very low	34.7	Very low	103 Å²	103	125.5 Å²	125.5	67%	0.669	77%	0.772	S	S	*	*			trans	-101.9	-176.4	164.5	41.4	-33.7	0	0	0	112.3
2731	P	42.7	Very low	35	Very low	110.5 Å²	110.5	128.6 Å²	128.6	72%	0.718	78%	0.78	S	S	*	*				-117.5	165.5	-122.5	21.8	-0.5	0	0	0	110
2732	T	33.6	Very low	34.7	Very low	128.5 Å²	128.5	124.5 Å²	124.5	79%	0.788	78%	0.775	S	S	*	*				65.3	137.7	122.5	62	0	0	0	0	116.7
2733	R	34.8	Very low	34.9	Very low	237.5 Å²	237.5	122.8 Å²	122.8	90%	0.896	78%	0.775	S	S	*	*				-156.9	159.9	63.5	-153.4	166.4	179.7	175.4	-0.8	112.7
2734	S	33.3	Very low	34.9	Very low	115.5 Å²	115.5	122.9 Å²	122.9	81%	0.808	77%	0.77	S	S	*	*			trans	-57.6	163.2	171.2	-35.2	0	0	0	0	114.2
2735	G	35.3	Very low	34.9	Very low	66.5 Å²	66.5	124.8 Å²	124.8	69%	0.686	77%	0.767	S	S	*	*			cis	132.9	175.4	2	0	0	0	0	0	112.8
2736	S	33.4	Very low	35	Very low	120 Å²	120	129.6 Å²	129.6	84%	0.839	77%	0.772	S	S	*	*			trans	70.7	153.2	178.9	-144.4	0	0	0	0	114.5
2737	V	37	Very low	35	Very low	120 Å²	120	131.5 Å²	131.5	73%	0.727	77%	0.772	S	S	*	*			cis	-142.5	160.4	21.4	-165.8	0	0	0	0	109.7
2738	V	38.4	Very low	34.8	Very low	129 Å²	129	131.4 Å²	131.4	78%	0.782	77%	0.771	S	S	*	*				143.4	140.4	80	-167.8	0	0	0	0	113.2
2739	S	33.8	Very low	34.7	Very low	102.5 Å²	102.5	128.5 Å²	128.5	72%	0.717	77%	0.765	S	S	*	*				-37.1	170.2	118.5	-52.4	0	0	0	0	111.9
2740	P	38.6	Very low	34.3	Very low	111 Å²	111	126.4 Å²	126.4	72%	0.721	75%	0.754	S	S	*	*			cis	-122.1	-178.9	-19.8	40.4	-24.1	0	0	0	111.4
2741	L	34.6	Very low	34	Very low	165.5 Å²	165.5	129.9 Å²	129.9	87%	0.866	76%	0.761	S	S	*	*				-174.7	166	97.1	-92.8	145.8	0	0	0	111.4
2742	S	28.6	Very low	33.4	Very low	105 Å²	105	131.2 Å²	131.2	73%	0.734	76%	0.757	S	S	*	*			trans	-109.6	170.7	-174	-53.5	0	0	0	0	112.3
2743	P	38.6	Very low	33.3	Very low	128 Å²	128	135.3 Å²	135.3	83%	0.831	76%	0.758	S	S	*	*			trans	-115.9	162.8	136	36.4	-27.4	0	0	0	115.1
2744	T	29.9	Very low	33.1	Very low	122.5 Å²	122.5	131 Å²	131	75%	0.752	75%	0.748	S	S	*	*			trans	-140.7	146.5	171.3	46.5	0	0	0	0	111.1
2745	T	32.1	Very low	33.1	Very low	115 Å²	115	133.3 Å²	133.3	71%	0.706	75%	0.746	S	S	*	*			trans	-76.6	127.2	141.8	8.3	0	0	0	0	110.6
2746	E	32.5	Very low	32.8	Very low	166.5 Å²	166.5	133.3 Å²	133.3	78%	0.778	75%	0.746	S	S	*	*				136.9	146.9	67.3	-81.9	154.1	-153.1	0	0	112.9
2747	E	31.3	Very low	32.7	Very low	168 Å²	168	133.5 Å²	133.5	79%	0.785	74%	0.736	S	S	*	*				-49.7	164.4	78.8	-67.1	-166.9	121.5	0	0	117
2748	L	31	Very low	32.3	Very low	143.5 Å²	143.5	133.3 Å²	133.3	75%	0.751	74%	0.735	S	S	*	*				83.3	129.4	111.9	-84.9	173.2	0	0	0	116.1
2749	T	31.7	Very low	31.8	Very low	118.5 Å²	118.5	130.3 Å²	130.3	73%	0.727	72%	0.72	S	S	*	*				136.9	164.6	-101.5	27.7	0	0	0	0	115
2750	S	29.3	Very low	31.6	Very low	78.5 Å²	78.5	132 Å²	132	55%	0.549	72%	0.718	S	S	.	*				-103.7	144.2	-120	56.2	0	0	0	0	113.6
2751	H	34.5	Very low	31.2	Very low	175.5 Å²	175.5	132.7 Å²	132.7	81%	0.813	71%	0.712	S	S	*	*			trans	129.2	135	131.2	-66.9	-57.1	0	0	0	114.8	R2753	H2751-R2753 PolarHBondContact O-N 2.76Å
2752	H	29.6	Very low	31	Very low	138.5 Å²	138.5	129.5 Å²	129.5	64%	0.641	70%	0.699	S	S	*	*				-85.1	151.9	70.8	-176.4	88.1	0	0	0	112.2	Q2754	H2752-Q2754 VanDerWaalsContact CE1-CD 3.41Å; H2752-Q2754 VanDerWaalsContact NE2-CD 3.31Å; H2752-Q2754 PolarHBondContact NE2-OE1 2.89Å
2753	R	31.2	Very low	30.9	Very low	215 Å²	215	136 Å²	136	81%	0.811	71%	0.708	S	S	*	*			trans	-98.7	141.3	159.4	-92.7	174.2	-175.8	137.9	-0.5	112.5	H2751	H2751-R2753 PolarHBondContact O-N 2.76Å
2754	Q	31.7	Very low	30.5	Very low	146 Å²	146	136.3 Å²	136.3	68%	0.682	71%	0.707	S	S	*	*				-116.1	174.1	114.9	-70.4	165.3	-49.1	0	0	113.2	H2752	H2752-Q2754 VanDerWaalsContact CE1-CD 3.41Å; H2752-Q2754 VanDerWaalsContact NE2-CD 3.31Å; H2752-Q2754 PolarHBondContact NE2-OE1 2.89Å
2755	H	31.9	Very low	30.4	Very low	164.5 Å²	164.5	134.9 Å²	134.9	76%	0.762	70%	0.703	S	S	*	*			trans	19.7	141.6	163	-32.7	-82.4	0	0	0	113.9
2756	G	29.6	Very low	30.3	Very low	66.5 Å²	66.5	138.6 Å²	138.6	69%	0.686	71%	0.712	S	S	*	*			cis	145.4	-158.5	5.5	0	0	0	0	0	109.7
2757	I	30.6	Very low	30.3	Very low	123 Å²	123	135.8 Å²	135.8	63%	0.631	71%	0.708	S	S	*	*				143.8	135.4	80.5	-43.4	179.4	0	0	0	112.2	I1860	I1860-I2757 HydrophobicContact CD1-CD1 4.19Å; I1860-I2757 HydrophobicContact CD1-CG2 4.43Å; I1860-I2757 HydrophobicContact CG1-CB 4.47Å; I1860-I2757 HydrophobicContact CG1-CG2 3.71Å
2758	T	29.5	Very low	30.1	Very low	117.5 Å²	117.5	136.7 Å²	136.7	72%	0.721	71%	0.709	S	S	*	*			trans	-3.9	141.8	166	22.2	0	0	0	0	118.2
2759	S	28.2	Very low	30.1	Very low	65.5 Å²	65.5	137.1 Å²	137.1	46%	0.458	71%	0.712	S	S	.	*				125.2	162.1	60	61.9	0	0	0	0	117	Q1861	Q1861-S2759 PolarHBondContact N-O 3.44Å; Q1861-S2759 PolarHBondContact OE1-OG 3.36Å
2760	M	29.6	Very low	29.9	Very low	137 Å²	137	138.9 Å²	138.9	68%	0.675	72%	0.717	S	S	*	*			trans	73.1	138.1	143.9	-72.8	-68.3	140.9	0	0	120	Q1861	Q1861-M2760 HydrophobicContact CB-CB 3.77Å; Q1861-M2760 VanDerWaalsContact CD-CB 3.42Å; Q1861-M2760 HydrophobicContact CG-CB 3.56Å; Q1861-M2760 HydrophobicContact CG-CG 4.24Å
2761	Q	29.1	Very low	29.8	Very low	126 Å²	126	139.1 Å²	139.1	59%	0.589	72%	0.723	S	S	*	*			cis	141.4	162	43.5	-167.2	176.3	1.3	0	0	113.1	Q1861	Q1861-Q2761 VanDerWaalsContact NE2-OE1 3.08Å
2762	T	31.6	Very low	29.4	Very low	98.5 Å²	98.5	136.8 Å²	136.8	60%	0.604	72%	0.722	S	S	*	*			trans	74.9	96.2	168.6	42.2	0	0	0	0	116.5	T2764	T2762-T2764 PolarHBondContact O-N 3.34Å; T2762-T2764 VanDerWaalsContact O-N 3.11Å
2763	R	26.2	Very low	29.5	Very low	242.5 Å²	242.5	135 Å²	135	92%	0.915	72%	0.72	S	S	*	*				50	91.6	68.4	-172.6	-163.8	-174.1	-159.5	3.7	113.9
2764	T	30.1	Very low	29.3	Very low	133 Å²	133	129.5 Å²	129.5	82%	0.816	71%	0.711	S	S	*	*			trans	-148.5	113.7	154	33.3	0	0	0	0	108.6	T2762	T2762-T2764 PolarHBondContact O-N 3.34Å; T2762-T2764 VanDerWaalsContact O-N 3.11Å
2765	S	27.7	Very low	29.1	Very low	94.5 Å²	94.5	131 Å²	131	66%	0.661	72%	0.715	S	S	*	*			trans	-14.3	109.6	131.2	64.9	0	0	0	0	114
2766	H	29.3	Very low	28.9	Very low	192.5 Å²	192.5	127.5 Å²	127.5	89%	0.891	71%	0.706	S	S	*	*			trans	-152.9	152.7	150.8	-84.4	-53.3	0	0	0	110.3
2767	P	33.5	Very low	28.7	Very low	107 Å²	107	132.3 Å²	132.3	70%	0.695	71%	0.71	S	S	*	*				-100	163	-98.3	36.8	-32.8	0	0	0	113.5	N2769	P2767-N2769 PolarHBondContact O-N 3.36Å
2768	F	26.1	Very low	28.6	Very low	186.5 Å²	186.5	131.6 Å²	131.6	82%	0.818	71%	0.712	S	S	*	*			trans	-57.5	125	170.2	-80	-99.8	0	0	0	112.6	L2770	F2768-L2770 HydrophobicContact CD1-CD1 4.26Å
2769	N	30.7	Very low	28.7	Very low	152.5 Å²	152.5	131.9 Å²	131.9	82%	0.816	71%	0.714	S	S	*	*			trans	-130.1	118.7	148.7	-86.8	-38.5	0	0	0	108.2	P2767 A2771	P2767-N2769 PolarHBondContact O-N 3.36Å; N2769-A2771 PolarHBondContact O-N 3.1Å
2770	L	27.2	Very low	28.9	Very low	156.5 Å²	156.5	136 Å²	136	82%	0.819	73%	0.726	S	S	*	*			trans	-76.5	102	173.2	-93.9	66.4	0	0	0	108.9	F2768 T2772	F2768-L2770 HydrophobicContact CD1-CD1 4.26Å; L2770-T2772 PolarHBondContact O-N 2.92Å
2771	A	28.8	Very low	28.9	Very low	82.5 Å²	82.5	137.6 Å²	137.6	68%	0.682	73%	0.732	S	S	*	*			trans	-94.7	96.5	169.4	0	0	0	0	0	109.5	N2769 T2773	N2769-A2771 PolarHBondContact O-N 3.1Å; A2771-T2773 VanDerWaalsContact C-N 3.34Å; A2771-T2773 HydrophobicContact CB-CG2 4.41Å; A2771-T2773 PolarHBondContact O-N 3.18Å
2772	T	26	Very low	29	Very low	127.5 Å²	127.5	138 Å²	138	78%	0.782	73%	0.733	S	S	*	*			trans	-68.9	95.8	168.5	-56	0	0	0	0	108.6	L2770 T2774	L2770-T2772 PolarHBondContact O-N 2.92Å; T2772-T2774 VanDerWaalsContact C-N 3.25Å; T2772-T2774 HydrophobicContact CG2-CG2 4.39Å; T2772-T2774 PolarHBondContact O-N 3.32Å
2773	T	30.4	Very low	28.9	Very low	99.5 Å²	99.5	137.1 Å²	137.1	61%	0.61	73%	0.731	S	S	*	*			trans	-79.8	85.8	-179.9	52.9	0	0	0	0	110.9	A2771 F2775	A2771-T2773 VanDerWaalsContact C-N 3.34Å; A2771-T2773 HydrophobicContact CB-CG2 4.41Å; A2771-T2773 PolarHBondContact O-N 3.18Å; T2773-F2775 WeakPolarHBondContact O-CD2 3.3Å; T2773-F2775 PolarHBondContact O-N 3.14Å; T2773-F2775 VanDerWaalsContact O-N 3.13Å; T2773-F2775 WeakPolarHBondContact OG1-CE2 3.39Å
2774	T	27.1	Very low	29.1	Very low	100 Å²	100	131.6 Å²	131.6	61%	0.613	73%	0.725	S	S	*	*			trans	-65.7	100.8	163.3	1.9	0	0	0	0	108.5	R2652 T2772 T2776	R2652-T2774 PolarHBondContact NH1-OG1 3.13Å; T2772-T2774 VanDerWaalsContact C-N 3.25Å; T2772-T2774 HydrophobicContact CG2-CG2 4.39Å; T2772-T2774 PolarHBondContact O-N 3.32Å; T2774-T2776 PolarHBondContact O-N 3.09Å
2775	F	27	Very low	29.1	Very low	178 Å²	178	131.6 Å²	131.6	78%	0.781	71%	0.714	S	S	*	*			trans	-71.4	96.1	172.4	-84.9	-85.5	0	0	0	109.7	T2773 E2777	T2773-F2775 WeakPolarHBondContact O-CD2 3.3Å; T2773-F2775 PolarHBondContact O-N 3.14Å; T2773-F2775 VanDerWaalsContact O-N 3.13Å; T2773-F2775 WeakPolarHBondContact OG1-CE2 3.39Å; F2775-E2777 PolarHBondContact O-N 2.8Å
2776	T	29	Very low	29.2	Very low	90.5 Å²	90.5	132.6 Å²	132.6	56%	0.555	72%	0.721	S	S	*	*			trans	-65.4	121.7	152.1	44.5	0	0	0	0	108	T2774 T2778	T2774-T2776 PolarHBondContact O-N 3.09Å; T2776-T2778 VanDerWaalsContact C-N 3.27Å; T2776-T2778 PolarHBondContact O-N 3.19Å; T2776-T2778 PolarHBondContact O-OG1 3.01Å
2777	E	25.5	Very low	29.5	Very low	167 Å²	167	128.8 Å²	128.8	78%	0.78	71%	0.706	S	S	*	*			trans	-67.9	84.1	174	-170.6	165.6	-161.9	0	0	109.4	F2775 T2779	F2775-E2777 PolarHBondContact O-N 2.8Å; E2777-T2779 PolarHBondContact O-N 3.36Å
2778	T	28.9	Very low	29.6	Very low	110 Å²	110	130.8 Å²	130.8	68%	0.675	71%	0.706	S	S	*	*			trans	-102.1	89.2	175.5	43.4	0	0	0	0	107.6	T2776 Q2780	T2776-T2778 VanDerWaalsContact C-N 3.27Å; T2776-T2778 PolarHBondContact O-N 3.19Å; T2776-T2778 PolarHBondContact O-OG1 3.01Å; T2778-Q2780 PolarHBondContact O-N 3.14Å
2779	T	30.9	Very low	30.1	Very low	123 Å²	123	129 Å²	129	76%	0.755	70%	0.7	S	S	*	*			trans	-69.2	74.7	176.6	-15	0	0	0	0	110.3	E2777 E2781	E2777-T2779 PolarHBondContact O-N 3.36Å; T2779-E2781 VanDerWaalsContact C-N 3.34Å; T2779-E2781 PolarHBondContact O-N 2.97Å
2780	Q	31.8	Very low	30.9	Very low	151 Å²	151	125.3 Å²	125.3	71%	0.706	68%	0.683	S	S	*	*			trans	-69.2	109	172.7	-171.3	-176	30.7	0	0	109.2	T2778 Q2782	T2778-Q2780 PolarHBondContact O-N 3.14Å; Q2780-Q2782 VanDerWaalsContact C-N 3.34Å; Q2780-Q2782 HydrophobicContact CG-CG 3.86Å; Q2780-Q2782 PolarHBondContact O-N 3Å
2781	E	30.5	Very low	31.9	Very low	171 Å²	171	121.8 Å²	121.8	80%	0.799	67%	0.667	S	S	*	*			trans	-68.9	77.3	174.2	-65.2	-169.8	144.6	0	0	111.8	T2779 S2783	T2779-E2781 VanDerWaalsContact C-N 3.34Å; T2779-E2781 PolarHBondContact O-N 2.97Å; E2781-S2783 VanDerWaalsContact C-N 3.32Å; E2781-S2783 PolarHBondContact O-N 3.04Å
2782	Q	30.1	Very low	33.3	Very low	134 Å²	134	124.3 Å²	124.3	63%	0.626	67%	0.665	S	S	*	*			trans	-75.8	80.9	166.5	-65.5	-167.3	12.5	0	0	109.3	Q2780 T2784	Q2780-Q2782 VanDerWaalsContact C-N 3.34Å; Q2780-Q2782 HydrophobicContact CG-CG 3.86Å; Q2780-Q2782 PolarHBondContact O-N 3Å; Q2782-T2784 VanDerWaalsContact C-N 3.29Å; Q2782-T2784 PolarHBondContact O-N 2.89Å; Q2782-T2784 PolarHBondContact O-OG1 3.15Å
2783	S	30.7	Very low	35.3	Very low	80 Å²	80	121.4 Å²	121.4	56%	0.559	65%	0.647	S	S	*	*			trans	-86.7	104	161.3	65.4	0	0	0	0	108.7	E2781 F2785	E2781-S2783 VanDerWaalsContact C-N 3.32Å; E2781-S2783 PolarHBondContact O-N 3.04Å; S2783-F2785 PolarHBondContact O-N 3.15Å; S2783-F2785 VanDerWaalsContact O-N 3.09Å; S2783-F2785 WeakPolarHBondContact OG-CD2 3.42Å
2784	T	28.9	Very low	37.1	Very low	127.5 Å²	127.5	122.5 Å²	122.5	78%	0.782	64%	0.641	S	S	*	*			trans	-78.8	76.4	-178.7	-54.8	0	0	0	0	109.9	Q2782 S2786	Q2782-T2784 VanDerWaalsContact C-N 3.29Å; Q2782-T2784 PolarHBondContact O-N 2.89Å; Q2782-T2784 PolarHBondContact O-OG1 3.15Å; T2784-S2786 PolarHBondContact O-N 3.39Å
2785	F	30.4	Very low	39.5	Very low	132 Å²	132	121.2 Å²	121.2	58%	0.579	63%	0.633	S	S	*	*			trans	-84.8	118.4	170.6	-80.1	-81.9	0	0	0	110.1	S2783 I2787	S2783-F2785 PolarHBondContact O-N 3.15Å; S2783-F2785 VanDerWaalsContact O-N 3.09Å; S2783-F2785 WeakPolarHBondContact OG-CD2 3.42Å; F2785-I2787 VanDerWaalsContact C-N 3.28Å; F2785-I2787 PolarHBondContact O-N 3.34Å
2786	S	30.9	Very low	40.7	Very low	116 Å²	116	114.3 Å²	114.3	81%	0.811	61%	0.606	S	S	*	*			trans	-68	96.8	166.2	-61.2	0	0	0	0	109.4	T2784 E2788	T2784-S2786 PolarHBondContact O-N 3.39Å; S2786-E2788 PolarHBondContact O-N 3.18Å
2787	I	34.7	Very low	42.1	Very low	112 Å²	112	115.3 Å²	115.3	57%	0.574	62%	0.615	S	S	*	*			trans	-72.7	112	171.3	-56.3	178.3	0	0	0	107.5	F2785 H2789	F2785-I2787 VanDerWaalsContact C-N 3.28Å; F2785-I2787 PolarHBondContact O-N 3.34Å; I2787-H2789 VanDerWaalsContact C-N 3.3Å; I2787-H2789 VanDerWaalsContact CG2-CD2 3.49Å; I2787-H2789 WeakPolarHBondContact CG2-CD2 3.04Å; I2787-H2789 PolarHBondContact O-CD2 2.99Å; I2787-H2789 PolarHBondContact O-N 2.9Å
2788	E	35.7	Very low	43.8	Very low	149 Å²	149	113.7 Å²	113.7	70%	0.696	62%	0.617	S	S	*	*			trans	-69.4	105.7	168.7	-68	-170.2	135.7	0	0	109.1	K2339 S2786 T2790	K2339-E2788 IonicContact NZ-OE2 2.66Å; K2339-E2788 PolarHBondContact NZ-OE2 2.97Å; S2786-E2788 PolarHBondContact O-N 3.18Å; E2788-T2790 VanDerWaalsContact C-N 3.34Å; E2788-T2790 PolarHBondContact O-N 3.22Å
2789	H	37.6	Very low	46.4	Very low	149 Å²	149	112.6 Å²	112.6	69%	0.69	61%	0.612	S	S	*	*			trans	-69.6	82.6	178.1	-79.3	-145.3	0	0	0	110.7	I2787 V2791	I2787-H2789 VanDerWaalsContact C-N 3.3Å; I2787-H2789 VanDerWaalsContact CG2-CD2 3.49Å; I2787-H2789 WeakPolarHBondContact CG2-CD2 3.04Å; I2787-H2789 PolarHBondContact O-CD2 2.99Å; I2787-H2789 PolarHBondContact O-N 2.9Å; H2789-V2791 PolarHBondContact O-N 3.24Å
2790	T	47.1	Very low	48.1	Very low	74.5 Å²	74.5	109 Å²	109	46%	0.457	60%	0.6	S	S	.	*			trans	-72.5	97	169.4	43.6	0	0	0	0	109.6	E2788 V2807	E2788-T2790 VanDerWaalsContact C-N 3.34Å; E2788-T2790 PolarHBondContact O-N 3.22Å; T2790-V2807 PolarHBondContact O-N 3.08Å
2791	V	47.8	Very low	49.6	Very low	83 Å²	83	105.5 Å²	105.5	50%	0.503	59%	0.592	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-77	120.9	174.4	179.9	0	0	0	0	108.9	H2789 N2804	H2789-V2791 PolarHBondContact O-N 3.24Å; V2791-N2804 HydrophobicContact CG1-CB 3.62Å
2792	Q	59.4	Low	51.8	Low	135 Å²	135	104.3 Å²	104.3	63%	0.631	59%	0.586	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-106	111.4	174.5	-161.8	167.9	33.8	0	0	109.7	Y2794 I2805 V2807	Q2792-Y2794 PolarHBondContact O-N 3.16Å; Q2792-Y2794 VanDerWaalsContact O-N 3.17Å; Q2792-I2805 PolarHBondContact N-O 2.86Å; Q2792-I2805 PolarHBondContact O-N 3Å; Q2792-V2807 HydrophobicContact CB-CG2 3.5Å
2793	T	67.3	Low	53.1	Low	66.5 Å²	66.5	100.2 Å²	100.2	41%	0.408	58%	0.575	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-77.9	103.4	-179.7	-50.6	0	0	0	0	110.4	Q2802 N2804	T2793-Q2802 HydrophobicContact CG2-CB 3.82Å; T2793-Q2802 HydrophobicContact CG2-CG 4.06Å; T2793-N2804 WeakPolarHBondContact CB-OD1 3.47Å; T2793-N2804 WeakPolarHBondContact CG2-OD1 3.45Å; T2793-N2804 PolarHBondContact OG1-OD1 3.03Å
2794	Y	67.2	Low	55	Low	124 Å²	124	101.6 Å²	101.6	49%	0.486	58%	0.577	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-82.9	121.8	171.1	174.8	-97.6	0	0	0	109.8	Q2792 C2796 P2797 Q2802 A2803 I2805	Q2792-Y2794 PolarHBondContact O-N 3.16Å; Q2792-Y2794 VanDerWaalsContact O-N 3.17Å; Y2794-C2796 HydrophobicContact CE1-CB 4.2Å; Y2794-P2797 WeakPolarHBondContact OH-CD 3.33Å; Y2794-Q2802 CarbonylContact O-C 3.55Å; Y2794-Q2802 WeakPolarHBondContact O-CA 3.3Å; Y2794-A2803 PolarHBondContact N-O 3.35Å; Y2794-A2803 PolarHBondContact O-N 2.91Å; Y2794-I2805 HydrophobicContact CG-CD1 4.22Å
2795	T	77.8	Confident	56.1	Low	72.5 Å²	72.5	99.5 Å²	99.5	45%	0.445	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.4	119.8	172.7	-52.6	0	0	0	0	109	P2797 Q2802	T2795-P2797 WeakPolarHBondContact O-CD 3.29Å; T2795-Q2802 HydrophobicContact CG2-CG 4.36Å
2796	C	52.3	Low	56.8	Low	32 Å²	32	98.1 Å²	98.1	22%	0.216	56%	0.564	C	S	.	*	P	Polyproline II helix	trans	-65.3	122.1	178.9	-178.1	0	0	0	0	110.7	Y2794 T2798 C2799 G2800 S2801	Y2794-C2796 HydrophobicContact CE1-CB 4.2Å; C2796-T2798 PolarHBondContact O-N 2.98Å; C2796-T2798 VanDerWaalsContact O-N 3.13Å; C2796-C2799 PolarHBondContact O-N 3.18Å; C2796-C2799 PolarHBondContact SG-SG 3.46Å; C2796-G2800 WeakPolarHBondContact O-CA 3.45Å; C2796-G2800 PolarHBondContact O-N 3.26Å; C2796-S2801 PolarHBondContact N-O 3.37Å
2797	P	59.5	Low	57.6	Low	112 Å²	112	95.3 Å²	95.3	73%	0.727	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-17.1	-177.3	27.9	-35.3	0	0	0	113.5	Y2794 T2795	Y2794-P2797 WeakPolarHBondContact OH-CD 3.33Å; T2795-P2797 WeakPolarHBondContact O-CD 3.29Å
2798	T	59.3	Low	58	Low	134.5 Å²	134.5	94.5 Å²	94.5	83%	0.825	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-28.1	-177	-40.8	0	0	0	0	113.5	C2796	C2796-T2798 PolarHBondContact O-N 2.98Å; C2796-T2798 VanDerWaalsContact O-N 3.13Å
2799	C	84	Confident	58.2	Low	86.5 Å²	86.5	92.3 Å²	92.3	58%	0.584	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.3	2.2	-175.1	64.4	0	0	0	0	115.3	C2796 S2801	C2796-C2799 PolarHBondContact O-N 3.18Å; C2796-C2799 PolarHBondContact SG-SG 3.46Å; C2799-S2801 PolarHBondContact O-N 2.82Å
2800	G	67.3	Low	58.5	Low	48 Å²	48	92.4 Å²	92.4	50%	0.495	54%	0.539	S	S	.	.			trans	69.7	-4.9	178.7	0	0	0	0	0	115.6	C2796 Q2802	C2796-G2800 WeakPolarHBondContact O-CA 3.45Å; C2796-G2800 PolarHBondContact O-N 3.26Å; G2800-Q2802 PolarHBondContact O-N 2.97Å
2801	S	63.5	Low	58	Low	76 Å²	76	93.5 Å²	93.5	53%	0.531	55%	0.55	S	S	.	.	P	Polyproline II helix	trans	-58.7	129.3	177.7	-65.1	0	0	0	0	111.9	C2796 C2799	C2796-S2801 PolarHBondContact N-O 3.37Å; C2799-S2801 PolarHBondContact O-N 2.82Å
2802	Q	76.6	Confident	57.4	Low	147 Å²	147	99.4 Å²	99.4	69%	0.687	57%	0.572	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-92.3	116.6	177.4	-68.1	-179.4	21.6	0	0	110.6	T2793 Y2794 T2795 G2800	T2793-Q2802 HydrophobicContact CG2-CB 3.82Å; T2793-Q2802 HydrophobicContact CG2-CG 4.06Å; Y2794-Q2802 CarbonylContact O-C 3.55Å; Y2794-Q2802 WeakPolarHBondContact O-CA 3.3Å; T2795-Q2802 HydrophobicContact CG2-CG 4.36Å; G2800-Q2802 PolarHBondContact O-N 2.97Å
2803	A	57.7	Low	56.4	Low	48 Å²	48	99.9 Å²	99.9	40%	0.397	58%	0.577	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.5	118.1	170.9	0	0	0	0	0	109.5	Y2794 I2805	Y2794-A2803 PolarHBondContact N-O 3.35Å; Y2794-A2803 PolarHBondContact O-N 2.91Å; A2803-I2805 PolarHBondContact O-N 2.71Å
2804	N	69.6	Low	54.8	Low	109 Å²	109	105.2 Å²	105.2	58%	0.583	60%	0.598	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-79.1	99	171.6	-82.8	-19	0	0	0	109.3	V2791 T2793	V2791-N2804 HydrophobicContact CG1-CB 3.62Å; T2793-N2804 WeakPolarHBondContact CB-OD1 3.47Å; T2793-N2804 WeakPolarHBondContact CG2-OD1 3.45Å; T2793-N2804 PolarHBondContact OG1-OD1 3.03Å
2805	I	51.5	Low	53.3	Low	84 Å²	84	103.3 Å²	103.3	43%	0.431	60%	0.6	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-85.8	122.5	178	-56.5	179.9	0	0	0	108.2	Q2792 Y2794 A2803 V2807	Q2792-I2805 PolarHBondContact N-O 2.86Å; Q2792-I2805 PolarHBondContact O-N 3Å; Y2794-I2805 HydrophobicContact CG-CD1 4.22Å; A2803-I2805 PolarHBondContact O-N 2.71Å; I2805-V2807 PolarHBondContact O-N 3.34Å
2806	P	46.1	Very low	51.3	Low	101 Å²	101	109.3 Å²	109.3	66%	0.656	62%	0.623	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-72.2	112.6	170.3	29	-31.6	0	0	0	109	T2808	P2806-T2808 PolarHBondContact O-N 3.05Å
2807	V	46.7	Very low	50.6	Low	57 Å²	57	112.6 Å²	112.6	35%	0.345	64%	0.642	S	S	.	*			trans	-86.7	99.3	179.8	179.9	0	0	0	0	109.3	T2790 Q2792 I2805 V2809	T2790-V2807 PolarHBondContact O-N 3.08Å; Q2792-V2807 HydrophobicContact CB-CG2 3.5Å; I2805-V2807 PolarHBondContact O-N 3.34Å; V2807-V2809 HydrophobicContact CG1-CG2 4.35Å; V2807-V2809 PolarHBondContact O-N 3.36Å
2808	T	43.5	Very low	49.5	Very low	97 Å²	97	113 Å²	113	60%	0.595	64%	0.638	S	S	*	*			trans	-73.5	90	177.4	-39	0	0	0	0	110.5	P2806 H2810	P2806-T2808 PolarHBondContact O-N 3.05Å; T2808-H2810 VanDerWaalsContact C-N 3.29Å; T2808-H2810 PolarHBondContact O-N 2.91Å; T2808-H2810 PolarHBondContact O-ND1 2.55Å
2809	V	41.4	Very low	48.2	Very low	101 Å²	101	108.7 Å²	108.7	61%	0.612	61%	0.612	S	S	*	*			trans	-64.8	87.2	175.8	-174.6	0	0	0	0	110.1	V2807 S2811	V2807-V2809 HydrophobicContact CG1-CG2 4.35Å; V2807-V2809 PolarHBondContact O-N 3.36Å; V2809-S2811 PolarHBondContact O-N 2.84Å
2810	H	42.4	Very low	46.2	Very low	152 Å²	152	109.3 Å²	109.3	70%	0.704	61%	0.609	S	S	*	*			trans	-68.2	92.7	176.5	-89.3	57.9	0	0	0	110.3	T2808	T2808-H2810 VanDerWaalsContact C-N 3.29Å; T2808-H2810 PolarHBondContact O-N 2.91Å; T2808-H2810 PolarHBondContact O-ND1 2.55Å
2811	S	37.8	Very low	44.9	Very low	98 Å²	98	112.2 Å²	112.2	69%	0.685	62%	0.617	S	S	*	*			trans	-61.3	146	155.9	-65.7	0	0	0	0	109.1	V2809 I2813	V2809-S2811 PolarHBondContact O-N 2.84Å; S2811-I2813 PolarHBondContact O-N 3.35Å
2812	Q	33.6	Very low	43.8	Very low	206 Å²	206	114.7 Å²	114.7	96%	0.963	62%	0.62	S	S	*	*	S	Bend	trans	-70.8	84.8	-167	-66	178.3	-61.5	0	0	113.4
2813	I	39.9	Very low	42.3	Very low	145 Å²	145	110.6 Å²	110.6	74%	0.744	60%	0.603	S	S	*	*			trans	-117.6	111.8	159.4	-59.5	179.7	0	0	0	106.5	S2811 P2815	S2811-I2813 PolarHBondContact O-N 3.35Å; I2813-P2815 VanDerWaalsContact O-CD 3.28Å; I2813-P2815 WeakPolarHBondContact O-CD 3.39Å
2814	Q	34	Very low	41.4	Very low	179 Å²	179	116.9 Å²	116.9	84%	0.836	62%	0.621	S	S	*	*			trans	-71.6	116	179.1	-178.5	175	6.7	0	0	108.8
2815	P	34.9	Very low	39.9	Very low	83 Å²	83	118.4 Å²	118.4	54%	0.539	63%	0.629	S	S	.	*			trans	-61.1	148.2	168.8	26.6	-33.4	0	0	0	109.1	I2813 T2817	I2813-P2815 VanDerWaalsContact O-CD 3.28Å; I2813-P2815 WeakPolarHBondContact O-CD 3.39Å; P2815-T2817 PolarHBondContact O-N 3.03Å
2816	Q	36.2	Very low	39.4	Very low	199 Å²	199	115.6 Å²	115.6	93%	0.93	62%	0.619	S	S	*	*			trans	-73.5	50.5	170.2	-67.7	-171.3	1.4	0	0	111.5	L2818	Q2816-L2818 PolarHBondContact O-N 3.1Å
2817	T	38.1	Very low	39.1	Very low	101 Å²	101	118 Å²	118	62%	0.62	62%	0.621	S	S	*	*			trans	-60	125	161	-47.4	0	0	0	0	107.4	P2815	P2815-T2817 PolarHBondContact O-N 3.03Å
2818	L	35.2	Very low	38.8	Very low	121 Å²	121	117 Å²	117	63%	0.634	62%	0.617	S	S	*	*			trans	-46.9	136.4	170	-67.2	167.5	0	0	0	109.1	Q2816 I2820	Q2816-L2818 PolarHBondContact O-N 3.1Å; L2818-I2820 HydrophobicContact CB-CG1 4.35Å; L2818-I2820 PolarHBondContact O-N 3.27Å
2819	P	32.5	Very low	38.8	Very low	45 Å²	45	117.3 Å²	117.3	29%	0.292	61%	0.611	S	S	.	*	S	Bend	trans	-75.5	45.4	-166.9	30.1	-36.2	0	0	0	114.2	T2821 Q2822 W2988	P2819-T2821 PolarHBondContact O-N 3.28Å; P2819-Q2822 HydrophobicContact CB-CB 4.44Å; P2819-Q2822 HydrophobicContact CB-CG 4.09Å; P2819-Q2822 WeakPolarHBondContact O-CB 3.26Å; P2819-Q2822 PolarHBondContact O-N 3.42Å; P2819-W2988 HydrophobicContact CG-CH2 4.11Å; P2819-W2988 HydrophobicContact CG-CZ2 4.23Å; P2819-W2988 WeakPolarHBondContact O-CH2 3.33Å
2820	I	42.7	Very low	38.7	Very low	99 Å²	99	116.9 Å²	116.9	51%	0.508	61%	0.609	S	S	.	*	G	3₁₀ helix	trans	-51.8	-25.8	173.6	-59.9	169.4	0	0	0	111.1	L2818 Q2822	L2818-I2820 HydrophobicContact CB-CG1 4.35Å; L2818-I2820 PolarHBondContact O-N 3.27Å; I2820-Q2822 VanDerWaalsContact C-N 3.33Å; I2820-Q2822 PolarHBondContact O-N 2.63Å
2821	T	39.3	Very low	38.6	Very low	109 Å²	109	119.7 Å²	119.7	67%	0.669	61%	0.613	S	S	*	*	G	3₁₀ helix	trans	-68.7	-20.6	173.5	49.6	0	0	0	0	115.1	P2819 L2823 K2824	P2819-T2821 PolarHBondContact O-N 3.28Å; T2821-L2823 VanDerWaalsContact C-N 3.34Å; T2821-K2824 WeakPolarHBondContact O-CG 3.38Å
2822	Q	40.8	Very low	38.7	Very low	128 Å²	128	121 Å²	121	60%	0.598	61%	0.607	S	S	*	*	G	3₁₀ helix	trans	-80.4	-9.1	178.5	-70.7	-174.7	-16.8	0	0	113.8	P2819 I2820 K2824 D2825 W2988	P2819-Q2822 HydrophobicContact CB-CB 4.44Å; P2819-Q2822 HydrophobicContact CB-CG 4.09Å; P2819-Q2822 WeakPolarHBondContact O-CB 3.26Å; P2819-Q2822 PolarHBondContact O-N 3.42Å; I2820-Q2822 VanDerWaalsContact C-N 3.33Å; I2820-Q2822 PolarHBondContact O-N 2.63Å; Q2822-K2824 PolarHBondContact O-N 3.04Å; Q2822-D2825 PolarHBondContact O-N 2.81Å; Q2822-W2988 HydrophobicContact CB-CZ3 4.37Å
2823	L	43.7	Very low	38.7	Very low	61 Å²	61	117.8 Å²	117.8	32%	0.319	59%	0.593	S	S	.	*	G	3₁₀ helix	trans	-60.5	-12.6	169.3	-76.5	167.1	0	0	0	113.3	T2821 D2825 A2826 W2988	T2821-L2823 VanDerWaalsContact C-N 3.34Å; L2823-D2825 VanDerWaalsContact C-N 3.28Å; L2823-D2825 PolarHBondContact O-N 2.66Å; L2823-A2826 WeakPolarHBondContact O-CB 3.35Å; L2823-A2826 PolarHBondContact O-N 2.98Å; L2823-W2988 HydrophobicContact CD2-CD2 4.49Å; L2823-W2988 HydrophobicContact CD2-CE3 3.59Å; L2823-W2988 HydrophobicContact CD2-CZ3 3.97Å; L2823-W2988 HydrophobicContact CG-CE3 4Å; L2823-W2988 HydrophobicContact CG-CZ3 3.85Å
2824	K	40.5	Very low	38.3	Very low	180 Å²	180	113.3 Å²	113.3	78%	0.783	58%	0.584	S	S	*	*	G	3₁₀ helix	trans	-62.9	-26	179.1	-76.6	-175.9	173.8	-177.2	0	115	T2821 Q2822 A2826	T2821-K2824 WeakPolarHBondContact O-CG 3.38Å; Q2822-K2824 PolarHBondContact O-N 3.04Å; K2824-A2826 PolarHBondContact O-N 3.31Å
2825	D	38	Very low	38.2	Very low	141 Å²	141	112.4 Å²	112.4	75%	0.754	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-80.8	-8.1	-179.1	-63.5	-32.8	0	0	0	112.6	Q2822 L2823 Q2827	Q2822-D2825 PolarHBondContact O-N 2.81Å; L2823-D2825 VanDerWaalsContact C-N 3.28Å; L2823-D2825 PolarHBondContact O-N 2.66Å; D2825-Q2827 PolarHBondContact O-N 3.08Å
2826	A	40.4	Very low	38	Very low	25 Å²	25	116.3 Å²	116.3	21%	0.207	59%	0.592	C	S	.	*			trans	-73.9	85.6	169.8	0	0	0	0	0	111.2	L2823 K2824 S2828 Q2829	L2823-A2826 WeakPolarHBondContact O-CB 3.35Å; L2823-A2826 PolarHBondContact O-N 2.98Å; K2824-A2826 PolarHBondContact O-N 3.31Å; A2826-S2828 PolarHBondContact O-N 2.98Å; A2826-Q2829 HydrophobicContact CB-CG 4.39Å; A2826-Q2829 PolarHBondContact O-N 2.87Å
2827	Q	40.6	Very low	37.8	Very low	152 Å²	152	110.1 Å²	110.1	71%	0.71	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.2	-4	176.3	-64.5	-171.9	-1.2	0	0	115.3	D2825	D2825-Q2827 PolarHBondContact O-N 3.08Å
2828	S	40.4	Very low	37.9	Very low	36 Å²	36	111.6 Å²	111.6	25%	0.252	58%	0.577	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.4	-31.9	168.3	41	0	0	0	0	113.3	A2826 T2830 E2907	A2826-S2828 PolarHBondContact O-N 2.98Å; S2828-T2830 VanDerWaalsContact C-N 3.31Å; S2828-T2830 PolarHBondContact O-N 3.13Å; S2828-E2907 PolarHBondContact OG-OE2 2.94Å
2829	Q	42.7	Very low	37.8	Very low	102 Å²	102	110.6 Å²	110.6	48%	0.477	57%	0.572	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.4	-11.6	-170.9	-67.3	-166	-7.1	0	0	115.2	A2826	A2826-Q2829 HydrophobicContact CB-CG 4.39Å; A2826-Q2829 PolarHBondContact O-N 2.87Å
2830	T	38.2	Very low	38.3	Very low	92 Å²	92	115.4 Å²	115.4	56%	0.564	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.3	-8.5	-178.7	51.3	0	0	0	0	115.1	S2828 F2832 M2833	S2828-T2830 VanDerWaalsContact C-N 3.31Å; S2828-T2830 PolarHBondContact O-N 3.13Å; T2830-F2832 PolarHBondContact O-N 3.44Å; T2830-M2833 WeakPolarHBondContact O-CB 3.32Å; T2830-M2833 PolarHBondContact O-N 2.9Å; T2830-M2833 VanDerWaalsContact O-N 3.1Å
2831	R	40.4	Very low	38.7	Very low	212 Å²	212	117.4 Å²	117.4	80%	0.8	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.3	-16.4	178.9	-77.3	-166.2	-179.1	-167	1.8	114.5	M2833	R2831-M2833 VanDerWaalsContact C-N 3.26Å; R2831-M2833 PolarHBondContact O-N 3.1Å
2832	F	39.8	Very low	39.4	Very low	126 Å²	126	115.3 Å²	115.3	55%	0.553	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	-1.5	170.9	-86.7	-82.1	0	0	0	114.2	T2830 G2834 C2842	T2830-F2832 PolarHBondContact O-N 3.44Å; F2832-G2834 PolarHBondContact O-N 3.31Å; F2832-C2842 VanDerWaalsContact CZ-SG 3.53Å
2833	M	34	Very low	40.9	Very low	137 Å²	137	114 Å²	114	68%	0.675	60%	0.597	S	S	*	*			trans	-79.6	61.2	170	-73.5	-176.5	45.5	0	0	111.4	K2509 T2830 R2831	K2509-M2833 PolarHBondContact NZ-SD 3.34Å; K2509-M2833 VanDerWaalsContact NZ-SD 3.36Å; T2830-M2833 WeakPolarHBondContact O-CB 3.32Å; T2830-M2833 PolarHBondContact O-N 2.9Å; T2830-M2833 VanDerWaalsContact O-N 3.1Å; R2831-M2833 VanDerWaalsContact C-N 3.26Å; R2831-M2833 PolarHBondContact O-N 3.1Å
2834	G	31.3	Very low	42.9	Very low	52 Å²	52	114.8 Å²	114.8	54%	0.536	60%	0.597	S	S	.	*	S	Bend	trans	-169.5	59.1	-172.9	0	0	0	0	0	114.4	F2832	F2832-G2834 PolarHBondContact O-N 3.31Å
2835	Q	31.8	Very low	45.2	Very low	160 Å²	160	108.5 Å²	108.5	75%	0.748	57%	0.571	S	S	*	*			trans	65.8	141.9	174.5	-59	171.9	-13	0	0	115.5	T2837	Q2835-T2837 HydrophobicContact CB-CG2 3.99Å; Q2835-T2837 PolarHBondContact O-N 2.79Å
2836	M	32	Very low	47.7	Very low	164 Å²	164	104 Å²	104	81%	0.808	55%	0.55	S	S	*	.			trans	-86.6	68	149	-85.3	-170.6	167.1	0	0	107.3
2837	T	32.5	Very low	50.1	Low	69 Å²	69	104 Å²	104	42%	0.423	55%	0.547	S	S	.	.			trans	-69.7	161.9	164.7	21.9	0	0	0	0	109.9	Q2835 D2839	Q2835-T2837 HydrophobicContact CB-CG2 3.99Å; Q2835-T2837 PolarHBondContact O-N 2.79Å; T2837-D2839 WeakPolarHBondContact CB-OD1 3.21Å; T2837-D2839 PolarHBondContact O-N 3.28Å; T2837-D2839 VanDerWaalsContact O-N 3.14Å; T2837-D2839 PolarHBondContact OG1-OD1 3.19Å
2838	T	38.5	Very low	52.5	Low	133 Å²	133	101.1 Å²	101.1	82%	0.816	53%	0.53	S	S	*	.			trans	-82.6	32.1	176.7	52.1	0	0	0	0	112.3	N2840	T2838-N2840 PolarHBondContact O-N 3.19Å
2839	D	34.2	Very low	54.8	Low	99 Å²	99	99.7 Å²	99.7	53%	0.529	52%	0.52	S	S	.	.			trans	-79	106.1	172.8	55.2	-52.3	0	0	0	110	T2837 N2841	T2837-D2839 WeakPolarHBondContact CB-OD1 3.21Å; T2837-D2839 PolarHBondContact O-N 3.28Å; T2837-D2839 VanDerWaalsContact O-N 3.14Å; T2837-D2839 PolarHBondContact OG1-OD1 3.19Å; D2839-N2841 PolarHBondContact O-N 3.45Å
2840	N	42.9	Very low	57	Low	147 Å²	147	96.2 Å²	96.2	79%	0.786	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	18.6	-163.8	-62.6	-56.9	0	0	0	117.2	T2838	T2838-N2840 PolarHBondContact O-N 3.19Å
2841	N	50.9	Low	59.3	Low	141 Å²	141	92.6 Å²	92.6	75%	0.754	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	-12.8	-170	-71.9	-21.5	0	0	0	114.9	D2839 T2843	D2839-N2841 PolarHBondContact O-N 3.45Å; N2841-T2843 PolarHBondContact O-N 3.32Å
2842	C	53.3	Low	61.3	Low	64 Å²	64	84.8 Å²	84.8	43%	0.432	46%	0.457	S	S	.	.			trans	-93.7	62	-177.5	-161.2	0	0	0	0	113.1	F2832 Y2844	F2832-C2842 VanDerWaalsContact CZ-SG 3.53Å; C2842-Y2844 PolarHBondContact O-N 2.85Å
2843	T	73.4	Confident	63.5	Low	100 Å²	100	81.3 Å²	81.3	61%	0.613	44%	0.442	S	S	*	.			trans	-81.1	16.7	-173.8	47.8	0	0	0	0	115.5	N2841	N2841-T2843 PolarHBondContact O-N 3.32Å
2844	Y	85.9	Confident	66.1	Low	79 Å²	79	74.8 Å²	74.8	31%	0.31	41%	0.41	S	S	.	.			trans	-142.3	155.7	-178.3	68.6	-90.4	0	0	0	113.4	C2842 K2909 I2910	C2842-Y2844 PolarHBondContact O-N 2.85Å; Y2844-K2909 HydrophobicContact CD1-CD 4.27Å; Y2844-K2909 HydrophobicContact CD2-CB 3.71Å; Y2844-K2909 HydrophobicContact CD2-CD 3.72Å; Y2844-K2909 HydrophobicContact CD2-CG 3.69Å; Y2844-K2909 HydrophobicContact CE1-CD 4.17Å; Y2844-K2909 HydrophobicContact CE2-CB 4.39Å; Y2844-K2909 HydrophobicContact CE2-CD 3.61Å; Y2844-K2909 HydrophobicContact CE2-CG 3.84Å; Y2844-K2909 HydrophobicContact CG-CB 4.02Å; Y2844-K2909 HydrophobicContact CG-CD 4.06Å; Y2844-K2909 HydrophobicContact CG-CG 4.31Å; Y2844-I2910 CarbonylContact C-O 3.57Å; Y2844-I2910 WeakPolarHBondContact CA-O 3.42Å; Y2844-I2910 VanDerWaalsContact CB-O 3.27Å; Y2844-I2910 WeakPolarHBondContact CB-O 3.44Å
2845	L	89	Confident	68.7	Low	47 Å²	47	74 Å²	74	25%	0.246	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	130	165.5	-71.3	177.6	0	0	0	110	I2910 A2924 F2928 L2933	L2845-I2910 PolarHBondContact N-O 3.37Å; L2845-I2910 PolarHBondContact O-N 3.49Å; L2845-A2924 HydrophobicContact CB-CB 4.07Å; L2845-A2924 HydrophobicContact CD1-CB 4.05Å; L2845-A2924 WeakPolarHBondContact CD1-O 3.24Å; L2845-A2924 HydrophobicContact CG-CB 3.85Å; L2845-F2928 HydrophobicContact CD1-CB 3.92Å; L2845-L2933 HydrophobicContact CD1-CD2 3.97Å
2846	P	89.3	Confident	71.2	Confident	47 Å²	47	71.6 Å²	71.6	31%	0.305	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	140.9	169.3	30.6	-33.3	0	0	0	110.1	E2907 L2908	P2846-E2907 HydrophobicContact CB-CG 4.2Å; P2846-L2908 CarbonylContact C-O 3.55Å; P2846-L2908 WeakPolarHBondContact CA-O 2.89Å
2847	T	90	Very high	73.9	Confident	25 Å²	25	65.3 Å²	65.3	15%	0.153	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	158.2	172.9	-157.5	0	0	0	0	110.1	E2907 L2908 I2910 L2958	T2847-E2907 WeakPolarHBondContact O-CA 3.14Å; T2847-L2908 HydrophobicContact CG2-CB 4.19Å; T2847-L2908 PolarHBondContact N-O 3.11Å; T2847-L2908 PolarHBondContact O-N 3.26Å; T2847-I2910 HydrophobicContact CG2-CD1 4.02Å; T2847-I2910 HydrophobicContact CG2-CG1 3.96Å; T2847-L2958 HydrophobicContact CG2-CD2 3.77Å; T2847-L2958 WeakPolarHBondContact OG1-CD2 3.42Å
2848	Y	91.6	Very high	76.5	Confident	91 Å²	91	63.2 Å²	63.2	36%	0.357	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	125.6	-177.1	-59.8	-70.3	0	0	0	110.7	L2905 L2906 E2907 V2987	Y2848-L2905 HydrophobicContact CD1-CD2 4.33Å; Y2848-L2905 HydrophobicContact CG-CD2 4.31Å; Y2848-L2906 WeakPolarHBondContact CA-O 3.2Å; Y2848-E2907 HydrophobicContact CD1-CB 4.01Å; Y2848-E2907 HydrophobicContact CD1-CG 4.3Å; Y2848-E2907 HydrophobicContact CE1-CB 3.67Å; Y2848-E2907 HydrophobicContact CE1-CG 3.65Å; Y2848-V2987 HydrophobicContact CD1-CG2 3.84Å; Y2848-V2987 HydrophobicContact CE1-CG2 3.87Å
2849	L	89.1	Confident	78.6	Confident	6 Å²	6	64 Å²	64	3%	0.031	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	154.8	178	-66.1	-179.2	0	0	0	110.2	E2853 V2854 I2857 L2906 L2908 L2958	L2849-E2853 HydrophobicContact CB-CB 3.93Å; L2849-E2853 HydrophobicContact CD1-CB 4.5Å; L2849-E2853 HydrophobicContact CD2-CB 4.38Å; L2849-V2854 HydrophobicContact CB-CG2 4.03Å; L2849-I2857 HydrophobicContact CD1-CD1 3.49Å; L2849-I2857 VanDerWaalsContact CD1-CD1 3.49Å; L2849-L2906 PolarHBondContact N-O 2.86Å; L2849-L2906 VanDerWaalsContact N-O 3.08Å; L2849-L2906 PolarHBondContact O-N 2.94Å; L2849-L2908 HydrophobicContact CB-CD1 3.89Å; L2849-L2908 HydrophobicContact CD1-CD1 4.11Å; L2849-L2908 HydrophobicContact CG-CD1 4.11Å; L2849-L2958 HydrophobicContact CD2-CB 4.49Å; L2849-L2958 HydrophobicContact CD2-CD2 4.34Å
2850	S	88.3	Confident	80.6	Confident	29 Å²	29	62 Å²	62	20%	0.203	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	161.2	170.2	68.8	0	0	0	0	112.4	E2852 E2853 V2854 K2904	S2850-E2852 VanDerWaalsContact C-N 3.32Å; S2850-E2852 PolarHBondContact O-N 3.47Å; S2850-E2853 PolarHBondContact N-OE2 2.84Å; S2850-E2853 WeakPolarHBondContact O-CB 3.3Å; S2850-E2853 PolarHBondContact O-N 3.24Å; S2850-E2853 VanDerWaalsContact O-N 3.13Å; S2850-E2853 WeakPolarHBondContact OG-CG 3.09Å; S2850-E2853 PolarHBondContact OG-N 3.23Å; S2850-E2853 VanDerWaalsContact OG-N 3.1Å; S2850-E2853 PolarHBondContact OG-OE2 3.22Å; S2850-V2854 WeakPolarHBondContact O-CG2 3.34Å; S2850-V2854 PolarHBondContact O-N 2.87Å; S2850-K2904 CarbonylContact C-O 3.57Å; S2850-K2904 WeakPolarHBondContact CA-O 3.38Å
2851	D	86.2	Confident	82.4	Confident	16 Å²	16	55.9 Å²	55.9	9%	0.086	29%	0.288	C	S	.	.	H	α-helix	trans	-55.1	-44	170.9	35.8	-3.1	0	0	0	113	V2854 I2855 I2863 K2904 L2906	D2851-V2854 PolarHBondContact O-N 2.88Å; D2851-I2855 VanDerWaalsContact O-CB 3.29Å; D2851-I2855 WeakPolarHBondContact O-CB 3.45Å; D2851-I2855 VanDerWaalsContact O-CG1 3.3Å; D2851-I2855 WeakPolarHBondContact O-CG1 3.5Å; D2851-I2855 PolarHBondContact O-N 3.06Å; D2851-I2863 HydrophobicContact CB-CD1 3.66Å; D2851-K2904 HydrophobicContact CB-CB 4.06Å; D2851-K2904 PolarHBondContact N-O 2.93Å; D2851-K2904 PolarHBondContact OD1-N 3.15Å; D2851-K2904 VanDerWaalsContact OD1-O 3.14Å; D2851-K2904 WeakPolarHBondContact OD2-CB 3.29Å; D2851-K2904 WeakPolarHBondContact OD2-CG 3.39Å; D2851-K2904 PolarHBondContact OD2-N 2.97Å; D2851-L2906 HydrophobicContact CB-CD1 3.89Å
2852	E	82.3	Confident	83.6	Confident	48 Å²	48	54.4 Å²	54.4	22%	0.224	28%	0.275	C	S	.	.	H	α-helix	trans	-62.2	-40.6	172.2	160.9	57.8	-169.3	0	0	112.5	S2850 V2854 I2855 R2856 E3085	S2850-E2852 VanDerWaalsContact C-N 3.32Å; S2850-E2852 PolarHBondContact O-N 3.47Å; E2852-V2854 PolarHBondContact O-N 3.17Å; E2852-I2855 PolarHBondContact O-N 2.99Å; E2852-R2856 VanDerWaalsContact CG-NH1 3.28Å; E2852-R2856 WeakPolarHBondContact O-CG 3.27Å; E2852-R2856 PolarHBondContact O-N 3.15Å; E2852-R2856 VanDerWaalsContact OE1-CD 3.24Å; E2852-R2856 WeakPolarHBondContact OE1-CD 3.41Å; E2852-R2856 VanDerWaalsContact OE1-CG 3.25Å; E2852-R2856 WeakPolarHBondContact OE1-CG 3.38Å; E2852-R2856 IonicContact OE1-CZ 3.39Å; E2852-R2856 IonicContact OE1-NE 2.7Å; E2852-R2856 IonicContact OE1-NH1 2.7Å; E2852-R2856 PolarHBondContact OE1-NH1 3.26Å; E2852-E3085 WeakPolarHBondContact CB-OE2 3.42Å; E2852-E3085 WeakPolarHBondContact CG-OE2 3.47Å
2853	E	87.8	Confident	84.6	Confident	54 Å²	54	53 Å²	53	25%	0.252	26%	0.262	S	S	.	.	H	α-helix	trans	-62.8	-40.9	174.6	-79.6	172.7	136.4	0	0	112.5	L2849 S2850 R2856 I2857 A2959	L2849-E2853 HydrophobicContact CB-CB 3.93Å; L2849-E2853 HydrophobicContact CD1-CB 4.5Å; L2849-E2853 HydrophobicContact CD2-CB 4.38Å; S2850-E2853 PolarHBondContact N-OE2 2.84Å; S2850-E2853 WeakPolarHBondContact O-CB 3.3Å; S2850-E2853 PolarHBondContact O-N 3.24Å; S2850-E2853 VanDerWaalsContact O-N 3.13Å; S2850-E2853 WeakPolarHBondContact OG-CG 3.09Å; S2850-E2853 PolarHBondContact OG-N 3.23Å; S2850-E2853 VanDerWaalsContact OG-N 3.1Å; S2850-E2853 PolarHBondContact OG-OE2 3.22Å; E2853-R2856 VanDerWaalsContact CG-NH2 3.31Å; E2853-R2856 PolarHBondContact O-N 2.87Å; E2853-I2857 WeakPolarHBondContact O-CG1 3.4Å; E2853-I2857 PolarHBondContact O-N 3.17Å; E2853-I2857 VanDerWaalsContact O-N 3.13Å; E2853-A2959 HydrophobicContact CB-CB 4.45Å; E2853-A2959 HydrophobicContact CG-CB 4.4Å
2854	V	88.4	Confident	84.2	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-66.5	-39.8	174.5	176.4	0	0	0	0	111.2	L2849 S2850 D2851 E2852 R2856 I2857 N2858 Q2861 I2863 L2906 L2908 L2982 A2984	L2849-V2854 HydrophobicContact CB-CG2 4.03Å; S2850-V2854 WeakPolarHBondContact O-CG2 3.34Å; S2850-V2854 PolarHBondContact O-N 2.87Å; D2851-V2854 PolarHBondContact O-N 2.88Å; E2852-V2854 PolarHBondContact O-N 3.17Å; V2854-R2856 VanDerWaalsContact C-N 3.34Å; V2854-R2856 PolarHBondContact O-N 3.08Å; V2854-I2857 PolarHBondContact O-N 2.93Å; V2854-N2858 PolarHBondContact O-N 2.87Å; V2854-Q2861 HydrophobicContact CG1-CB 4.45Å; V2854-Q2861 HydrophobicContact CG1-CG 3.97Å; V2854-I2863 HydrophobicContact CB-CD1 4.25Å; V2854-I2863 HydrophobicContact CG1-CD1 4.22Å; V2854-L2906 HydrophobicContact CG1-CD2 4.49Å; V2854-L2906 HydrophobicContact CG2-CB 4.21Å; V2854-L2906 HydrophobicContact CG2-CD1 4.35Å; V2854-L2906 HydrophobicContact CG2-CD2 4.38Å; V2854-L2908 HydrophobicContact CG2-CD1 3.75Å; V2854-L2908 HydrophobicContact CG2-CD2 3.98Å; V2854-L2908 HydrophobicContact CG2-CG 4.42Å; V2854-L2982 HydrophobicContact CG1-CD1 4.13Å; V2854-A2984 HydrophobicContact CG1-CB 4.44Å
2855	I	84.6	Confident	82.9	Confident	36 Å²	36	54.2 Å²	54.2	19%	0.185	27%	0.266	C	S	.	.	H	α-helix	trans	-63.9	-35.9	175.1	-82.2	165.4	0	0	0	112	D2851 E2852 N2858 Q2859 I2863	D2851-I2855 VanDerWaalsContact O-CB 3.29Å; D2851-I2855 WeakPolarHBondContact O-CB 3.45Å; D2851-I2855 VanDerWaalsContact O-CG1 3.3Å; D2851-I2855 WeakPolarHBondContact O-CG1 3.5Å; D2851-I2855 PolarHBondContact O-N 3.06Å; E2852-I2855 PolarHBondContact O-N 2.99Å; I2855-N2858 CarbonylContact O-C 3.47Å; I2855-N2858 VanDerWaalsContact O-C 3.24Å; I2855-Q2859 WeakPolarHBondContact O-CA 3.14Å; I2855-Q2859 PolarHBondContact O-N 3.04Å; I2855-I2863 HydrophobicContact CD1-CD1 4.12Å; I2855-I2863 HydrophobicContact CG1-CD1 4.01Å
2856	R	85.5	Confident	81.4	Confident	108 Å²	108	63.2 Å²	63.2	41%	0.408	30%	0.296	S	S	.	.	H	α-helix	trans	-68.9	-35.6	173	-71.4	-161.7	-58.8	-101	2.6	112.8	E2852 E2853 V2854 I2963	E2852-R2856 VanDerWaalsContact CG-NH1 3.28Å; E2852-R2856 WeakPolarHBondContact O-CG 3.27Å; E2852-R2856 PolarHBondContact O-N 3.15Å; E2852-R2856 VanDerWaalsContact OE1-CD 3.24Å; E2852-R2856 WeakPolarHBondContact OE1-CD 3.41Å; E2852-R2856 VanDerWaalsContact OE1-CG 3.25Å; E2852-R2856 WeakPolarHBondContact OE1-CG 3.38Å; E2852-R2856 IonicContact OE1-CZ 3.39Å; E2852-R2856 IonicContact OE1-NE 2.7Å; E2852-R2856 IonicContact OE1-NH1 2.7Å; E2852-R2856 PolarHBondContact OE1-NH1 3.26Å; E2853-R2856 VanDerWaalsContact CG-NH2 3.31Å; E2853-R2856 PolarHBondContact O-N 2.87Å; V2854-R2856 VanDerWaalsContact C-N 3.34Å; V2854-R2856 PolarHBondContact O-N 3.08Å; R2856-I2963 HydrophobicContact CB-CD1 4.42Å
2857	I	89.1	Confident	80	Confident	33 Å²	33	64.6 Å²	64.6	17%	0.169	30%	0.299	C	S	.	.	H	α-helix	trans	-70.4	-47.7	175.2	-66	165.4	0	0	0	110.8	L2849 E2853 V2854 A2959 V2962 I2963 L2969 L2982	L2849-I2857 HydrophobicContact CD1-CD1 3.49Å; L2849-I2857 VanDerWaalsContact CD1-CD1 3.49Å; E2853-I2857 WeakPolarHBondContact O-CG1 3.4Å; E2853-I2857 PolarHBondContact O-N 3.17Å; E2853-I2857 VanDerWaalsContact O-N 3.13Å; V2854-I2857 PolarHBondContact O-N 2.93Å; I2857-A2959 HydrophobicContact CD1-CB 4.27Å; I2857-A2959 HydrophobicContact CG1-CB 4.3Å; I2857-V2962 HydrophobicContact CD1-CB 4.19Å; I2857-V2962 HydrophobicContact CD1-CG1 4.32Å; I2857-V2962 HydrophobicContact CD1-CG2 4.46Å; I2857-V2962 HydrophobicContact CG1-CB 4.32Å; I2857-V2962 HydrophobicContact CG1-CG1 4.34Å; I2857-V2962 HydrophobicContact CG2-CB 4.43Å; I2857-V2962 HydrophobicContact CG2-CG1 3.57Å; I2857-I2963 HydrophobicContact CG1-CG1 4.29Å; I2857-L2969 HydrophobicContact CD1-CD1 4.43Å; I2857-L2969 HydrophobicContact CG2-CD1 4.42Å; I2857-L2982 HydrophobicContact CB-CD1 4.41Å; I2857-L2982 HydrophobicContact CG2-CD1 3.86Å
2858	N	86.9	Confident	78.7	Confident	25 Å²	25	71.5 Å²	71.5	13%	0.134	33%	0.327	C	S	.	.			trans	-132.6	99.9	178.6	-178.1	11.5	0	0	0	111.3	V2854 I2855 S2860 Q2861 P2980 L2982	V2854-N2858 PolarHBondContact O-N 2.87Å; I2855-N2858 CarbonylContact O-C 3.47Å; I2855-N2858 VanDerWaalsContact O-C 3.24Å; N2858-S2860 PolarHBondContact ND2-OG 2.73Å; N2858-S2860 PolarHBondContact O-N 2.68Å; N2858-S2860 VanDerWaalsContact O-N 3.17Å; N2858-S2860 WeakPolarHBondContact OD1-CB 3.46Å; N2858-S2860 PolarHBondContact OD1-N 2.85Å; N2858-S2860 PolarHBondContact OD1-OG 3.17Å; N2858-Q2861 HydrophobicContact CB-CB 4.15Å; N2858-Q2861 PolarHBondContact ND2-OE1 2.96Å; N2858-Q2861 VanDerWaalsContact O-CB 3.27Å; N2858-Q2861 WeakPolarHBondContact O-CB 3.28Å; N2858-Q2861 PolarHBondContact O-N 3.27Å; N2858-P2980 PolarHBondContact ND2-O 2.71Å; N2858-L2982 HydrophobicContact CB-CD1 3.84Å; N2858-L2982 HydrophobicContact CB-CG 4.21Å
2859	Q	81.9	Confident	78.1	Confident	150 Å²	150	69.6 Å²	69.6	70%	0.701	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-24.9	178.1	-64.9	-177.8	-1.6	0	0	113.1	I2855 Q2861 R3069	I2855-Q2859 WeakPolarHBondContact O-CA 3.14Å; I2855-Q2859 PolarHBondContact O-N 3.04Å; Q2859-Q2861 VanDerWaalsContact C-N 3.34Å; Q2859-R3069 PolarHBondContact O-NH1 3.07Å; Q2859-R3069 VanDerWaalsContact O-NH1 3.11Å; Q2859-R3069 PolarHBondContact O-NH2 2.99Å
2860	S	75.5	Confident	77.8	Confident	57 Å²	57	74.4 Å²	74.4	40%	0.399	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-6.8	176.5	73.5	0	0	0	0	114.2	N2858 K2862	N2858-S2860 PolarHBondContact ND2-OG 2.73Å; N2858-S2860 PolarHBondContact O-N 2.68Å; N2858-S2860 VanDerWaalsContact O-N 3.17Å; N2858-S2860 WeakPolarHBondContact OD1-CB 3.46Å; N2858-S2860 PolarHBondContact OD1-N 2.85Å; N2858-S2860 PolarHBondContact OD1-OG 3.17Å; S2860-K2862 PolarHBondContact O-N 3.19Å; S2860-K2862 VanDerWaalsContact O-N 3.13Å
2861	Q	81.8	Confident	77.8	Confident	17 Å²	17	74.1 Å²	74.1	8%	0.079	35%	0.348	C	S	.	.			trans	-62	117.3	-179.2	-164.7	78.4	16.3	0	0	111	V2854 N2858 Q2859 I2863 L2982	V2854-Q2861 HydrophobicContact CG1-CB 4.45Å; V2854-Q2861 HydrophobicContact CG1-CG 3.97Å; N2858-Q2861 HydrophobicContact CB-CB 4.15Å; N2858-Q2861 PolarHBondContact ND2-OE1 2.96Å; N2858-Q2861 VanDerWaalsContact O-CB 3.27Å; N2858-Q2861 WeakPolarHBondContact O-CB 3.28Å; N2858-Q2861 PolarHBondContact O-N 3.27Å; Q2859-Q2861 VanDerWaalsContact C-N 3.34Å; Q2861-I2863 HydrophobicContact CG-CG1 4.05Å; Q2861-I2863 PolarHBondContact O-N 3.29Å; Q2861-L2982 PolarHBondContact NE2-O 3.35Å
2862	K	75.4	Confident	77.9	Confident	111 Å²	111	76 Å²	76	48%	0.483	36%	0.359	S	S	.	.			trans	-79.7	104.6	165.5	-63.4	166	-177.4	155.5	0	107.8	S2860 E2864 E2977	S2860-K2862 PolarHBondContact O-N 3.19Å; S2860-K2862 VanDerWaalsContact O-N 3.13Å; K2862-E2864 VanDerWaalsContact C-N 3.26Å; K2862-E2864 HydrophobicContact CB-CG 4.06Å; K2862-E2864 PolarHBondContact O-N 2.88Å; K2862-E2977 IonicContact NZ-OE1 2.66Å; K2862-E2977 PolarHBondContact NZ-OE1 2.91Å; K2862-E2977 IonicContact NZ-OE2 3.62Å; K2862-E2977 PolarHBondContact NZ-OE2 2.86Å
2863	I	74.4	Confident	78.3	Confident	33 Å²	33	75 Å²	75	17%	0.169	35%	0.354	C	S	.	.			trans	-87.5	75.1	171	-57.3	179.5	0	0	0	107.4	D2851 V2854 I2855 Q2861 D2865 K2904 L2906 I2986	D2851-I2863 HydrophobicContact CB-CD1 3.66Å; V2854-I2863 HydrophobicContact CB-CD1 4.25Å; V2854-I2863 HydrophobicContact CG1-CD1 4.22Å; I2855-I2863 HydrophobicContact CD1-CD1 4.12Å; I2855-I2863 HydrophobicContact CG1-CD1 4.01Å; Q2861-I2863 HydrophobicContact CG-CG1 4.05Å; Q2861-I2863 PolarHBondContact O-N 3.29Å; I2863-D2865 PolarHBondContact O-N 2.82Å; I2863-K2904 HydrophobicContact CG2-CD 4.06Å; I2863-L2906 HydrophobicContact CD1-CD1 4.26Å; I2863-L2906 HydrophobicContact CD1-CD2 4.12Å; I2863-L2906 HydrophobicContact CG1-CD2 4.26Å; I2863-L2906 HydrophobicContact CG2-CD2 4.16Å; I2863-I2986 HydrophobicContact CG2-CD1 3.91Å; I2863-I2986 HydrophobicContact CG2-CG1 4.23Å
2864	E	64.2	Low	78.4	Confident	157 Å²	157	75.7 Å²	75.7	73%	0.734	36%	0.357	S	S	*	.			trans	-67.5	117.2	-177.6	-65.7	-168.2	-174.1	0	0	111.1	K2862	K2862-E2864 VanDerWaalsContact C-N 3.26Å; K2862-E2864 HydrophobicContact CB-CG 4.06Å; K2862-E2864 PolarHBondContact O-N 2.88Å
2865	D	60.1	Low	78.3	Confident	49 Å²	49	78.3 Å²	78.3	26%	0.262	37%	0.374	S	S	.	.			trans	-153.1	137.4	165.9	-145	-25.9	0	0	0	107.6	I2863 E2867 K2904 I2986 R2989	I2863-D2865 PolarHBondContact O-N 2.82Å; D2865-E2867 PolarHBondContact O-N 3.43Å; D2865-K2904 VanDerWaalsContact CB-NZ 3.34Å; D2865-I2986 HydrophobicContact CB-CD1 3.84Å; D2865-I2986 VanDerWaalsContact OD2-CD1 3.31Å; D2865-I2986 WeakPolarHBondContact OD2-CD1 3.4Å; D2865-R2989 IonicContact OD1-CZ 3.47Å; D2865-R2989 IonicContact OD1-NH2 3.68Å; D2865-R2989 PolarHBondContact OD1-NH2 3.48Å; D2865-R2989 IonicContact OD2-CZ 3.89Å; D2865-R2989 IonicContact OD2-NE 2.7Å; D2865-R2989 PolarHBondContact OD2-NE 3.22Å; D2865-R2989 IonicContact OD2-NH2 2.73Å; D2865-R2989 PolarHBondContact OD2-NH2 2.8Å
2866	R	56.5	Low	78.1	Confident	236 Å²	236	77.9 Å²	77.9	89%	0.891	38%	0.376	S	S	*	.			trans	-76.9	11.3	-170	-90.3	-175.4	173.8	176	-0.6	114.9
2867	E	61.3	Low	77.3	Confident	75 Å²	75	78.9 Å²	78.9	35%	0.35	39%	0.385	S	S	.	.			trans	-79	136.2	-179.5	-66	-174.6	167.7	0	0	111.7	D2865 S2869 R2989	D2865-E2867 PolarHBondContact O-N 3.43Å; E2867-S2869 PolarHBondContact O-N 3.13Å; E2867-R2989 VanDerWaalsContact CD-CD 3.44Å; E2867-R2989 WeakPolarHBondContact OE1-CD 3.26Å; E2867-R2989 IonicContact OE1-CZ 3.83Å; E2867-R2989 IonicContact OE1-NE 2.73Å; E2867-R2989 PolarHBondContact OE1-NE 2.78Å; E2867-R2989 IonicContact OE1-NH1 2.64Å; E2867-R2989 PolarHBondContact OE1-NH1 3.18Å; E2867-R2989 WeakPolarHBondContact OE2-CD 3.35Å; E2867-R2989 IonicContact OE2-NE 3.89Å
2868	F	62.3	Low	75.8	Confident	171 Å²	171	82.8 Å²	82.8	75%	0.75	41%	0.405	S	S	*	.			trans	-81.7	107.4	-171.8	-57.7	-87.8	0	0	0	111.6	M2870	F2868-M2870 PolarHBondContact O-N 3.45Å
2869	S	77.5	Confident	74	Confident	51 Å²	51	90.2 Å²	90.2	36%	0.357	43%	0.431	S	S	.	.			trans	-61.5	126.6	158.4	-60.4	0	0	0	0	109.4	E2867 V2871 D2900 S2901	E2867-S2869 PolarHBondContact O-N 3.13Å; S2869-V2871 PolarHBondContact O-N 2.97Å; S2869-D2900 CarbonylContact C-O 3.55Å; S2869-D2900 WeakPolarHBondContact CA-O 3.38Å; S2869-S2901 WeakPolarHBondContact CB-OG 3.39Å; S2869-S2901 PolarHBondContact OG-OG 3.4Å
2870	M	83.5	Confident	72.5	Confident	106 Å²	106	90.5 Å²	90.5	52%	0.522	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	116.7	177	178.8	178.1	66.9	0	0	109.5	F2868 D2900	F2868-M2870 PolarHBondContact O-N 3.45Å; M2870-D2900 HydrophobicContact CB-CB 4.25Å; M2870-D2900 HydrophobicContact CE-CB 4.04Å; M2870-D2900 WeakPolarHBondContact CE-OD2 3.18Å; M2870-D2900 PolarHBondContact N-O 3.33Å; M2870-D2900 PolarHBondContact O-N 2.8Å
2871	V	88.4	Confident	71	Confident	24 Å²	24	92.8 Å²	92.8	15%	0.145	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	117.3	-177.8	-177.1	0	0	0	0	110.3	S2869 V2897 W2898 V2899 V3068	S2869-V2871 PolarHBondContact O-N 2.97Å; V2871-V2897 HydrophobicContact CG1-CG2 3.49Å; V2871-V2897 VanDerWaalsContact CG1-CG2 3.49Å; V2871-W2898 WeakPolarHBondContact CA-O 3.49Å; V2871-V2899 HydrophobicContact CG2-CG1 4.46Å; V2871-V2899 HydrophobicContact CG2-CG2 4.43Å; V2871-V3068 HydrophobicContact CB-CG2 4.42Å; V2871-V3068 HydrophobicContact CG1-CG2 3.55Å; V2871-V3068 HydrophobicContact CG2-CG2 3.92Å
2872	T	89.6	Confident	69.2	Low	54 Å²	54	100.6 Å²	100.6	33%	0.331	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	110.6	177.9	-49.6	0	0	0	0	110.6	H2874 W2898	T2872-H2874 VanDerWaalsContact CG2-CE1 3.41Å; T2872-H2874 WeakPolarHBondContact CG2-CE1 3.39Å; T2872-H2874 PolarHBondContact O-ND1 2.6Å; T2872-W2898 PolarHBondContact N-O 2.88Å; T2872-W2898 PolarHBondContact O-N 2.72Å
2873	W	90.7	Very high	67.8	Low	29 Å²	29	105.9 Å²	105.9	11%	0.11	50%	0.503	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	130	176.8	-66.2	90.1	0	0	0	111.1	V2897 V3000 I3003 V3019 I3023 I3028 G3033 M3035 V3068 L3077	W2873-V2897 HydrophobicContact CD2-CB 4.05Å; W2873-V2897 HydrophobicContact CD2-CG2 3.64Å; W2873-V2897 HydrophobicContact CE3-CB 3.67Å; W2873-V2897 HydrophobicContact CE3-CG2 3.8Å; W2873-V2897 HydrophobicContact CG-CG2 4.16Å; W2873-V2897 HydrophobicContact CH2-CB 4.39Å; W2873-V2897 HydrophobicContact CH2-CG2 4.23Å; W2873-V2897 HydrophobicContact CZ2-CG2 4.07Å; W2873-V2897 HydrophobicContact CZ3-CB 3.86Å; W2873-V2897 HydrophobicContact CZ3-CG1 4.21Å; W2873-V2897 HydrophobicContact CZ3-CG2 4.09Å; W2873-V3000 HydrophobicContact CE3-CG2 4.48Å; W2873-V3000 HydrophobicContact CZ3-CG2 4Å; W2873-I3003 HydrophobicContact CH2-CD1 4.31Å; W2873-I3003 HydrophobicContact CZ3-CD1 3.97Å; W2873-V3019 HydrophobicContact CB-CG1 3.92Å; W2873-V3019 HydrophobicContact CD2-CG1 4.31Å; W2873-V3019 HydrophobicContact CE3-CB 4.45Å; W2873-V3019 HydrophobicContact CE3-CG1 3.73Å; W2873-V3019 HydrophobicContact CE3-CG2 3.78Å; W2873-V3019 HydrophobicContact CG-CG1 4.43Å; W2873-V3019 HydrophobicContact CZ3-CG2 4Å; W2873-I3023 HydrophobicContact CB-CD1 4.27Å; W2873-I3028 HydrophobicContact CD2-CD1 3.68Å; W2873-I3028 HydrophobicContact CD2-CG1 4.5Å; W2873-I3028 HydrophobicContact CE3-CD1 3.8Å; W2873-I3028 HydrophobicContact CG-CD1 4.26Å; W2873-I3028 HydrophobicContact CG-CG2 4.38Å; W2873-I3028 HydrophobicContact CH2-CD1 4.02Å; W2873-I3028 HydrophobicContact CH2-CG1 4.44Å; W2873-I3028 HydrophobicContact CZ2-CD1 3.92Å; W2873-I3028 HydrophobicContact CZ2-CG1 4.05Å; W2873-I3028 HydrophobicContact CZ3-CD1 3.97Å; W2873-G3033 PolarHBondContact NE1-O 3.26Å; W2873-M3035 HydrophobicContact CH2-CG 4.12Å; W2873-M3035 HydrophobicContact CH2-SD 3.78Å; W2873-M3035 HydrophobicContact CZ2-CG 3.79Å; W2873-M3035 HydrophobicContact CZ2-SD 4.07Å; W2873-V3068 HydrophobicContact CZ2-CG2 4.24Å; W2873-L3077 HydrophobicContact CH2-CD1 3.97Å; W2873-L3077 HydrophobicContact CH2-CD2 3.83Å; W2873-L3077 HydrophobicContact CZ3-CD1 4.09Å; W2873-L3077 HydrophobicContact CZ3-CD2 4.49Å
2874	H	88.1	Confident	66.3	Low	67 Å²	67	115.5 Å²	115.5	31%	0.31	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	93.7	-180	-64.6	88.6	0	0	0	109.3	T2872 D2895 E2896 W2898	T2872-H2874 VanDerWaalsContact CG2-CE1 3.41Å; T2872-H2874 WeakPolarHBondContact CG2-CE1 3.39Å; T2872-H2874 PolarHBondContact O-ND1 2.6Å; H2874-D2895 WeakPolarHBondContact O-CA 3.45Å; H2874-E2896 HydrophobicContact CB-CB 4.22Å; H2874-E2896 PolarHBondContact N-O 2.79Å; H2874-E2896 PolarHBondContact O-N 3.25Å; H2874-W2898 AromaticContact CE1-CD1 3.71Å; H2874-W2898 AromaticContact CE1-CD2 3.49Å; H2874-W2898 VanDerWaalsContact CE1-CD2 3.49Å; H2874-W2898 AromaticContact CE1-CE2 3.63Å; H2874-W2898 AromaticContact CE1-CG 3.59Å; H2874-W2898 AromaticContact CE1-NE1 3.74Å; H2874-W2898 AromaticContact ND1-CD1 3.44Å; H2874-W2898 AromaticContact ND1-CE2 3.96Å; H2874-W2898 AromaticContact ND1-CG 3.74Å; H2874-W2898 AromaticContact ND1-NE1 3.59Å
2875	P	86.6	Confident	65.4	Low	56 Å²	56	119.3 Å²	119.3	36%	0.364	54%	0.544	S	S	.	.			trans	-70.1	147.3	172.8	-4.2	18.5	0	0	0	111	E2877 D2895 V3019 A3020 I3023	P2875-E2877 PolarHBondContact O-N 2.94Å; P2875-D2895 WeakPolarHBondContact CA-OD1 3.33Å; P2875-V3019 HydrophobicContact CB-CB 4.31Å; P2875-V3019 HydrophobicContact CB-CG1 4.27Å; P2875-V3019 HydrophobicContact CG-CG1 4Å; P2875-A3020 HydrophobicContact CB-CB 3.9Å; P2875-A3020 HydrophobicContact CG-CB 4.47Å; P2875-I3023 HydrophobicContact CG-CD1 4.29Å
2876	A	80	Confident	64.8	Low	27 Å²	27	124.6 Å²	124.6	22%	0.223	57%	0.573	C	S	.	*			trans	-60.3	133.7	173.7	0	0	0	0	0	111.5	I2878 I2893 D2895	A2876-I2878 PolarHBondContact O-N 2.81Å; A2876-I2893 HydrophobicContact CB-CB 4.39Å; A2876-I2893 HydrophobicContact CB-CG2 3.78Å; A2876-D2895 PolarHBondContact N-OD1 2.89Å
2877	E	69.1	Low	64.2	Low	128 Å²	128	118.5 Å²	118.5	60%	0.598	57%	0.566	S	S	*	*			trans	-63.4	96.8	171.7	-75.5	-164.2	160.5	0	0	110.7	P2875 R2879 I2893	P2875-E2877 PolarHBondContact O-N 2.94Å; E2877-R2879 PolarHBondContact O-N 3.13Å; E2877-I2893 HydrophobicContact CB-CD1 4.38Å
2878	I	57.6	Low	63.5	Low	115 Å²	115	122.3 Å²	122.3	59%	0.59	59%	0.589	S	S	*	*			trans	-64.3	101.1	166.2	-57.6	176.1	0	0	0	107.7	A2876 D2880	A2876-I2878 PolarHBondContact O-N 2.81Å; I2878-D2880 PolarHBondContact O-N 2.82Å
2879	R	49.2	Very low	62.6	Low	182 Å²	182	120.8 Å²	120.8	69%	0.687	59%	0.594	S	S	*	*			trans	-77.7	109.5	169.1	-70.1	-174.5	174.5	-175.9	0	108.8	E2877 T2881	E2877-R2879 PolarHBondContact O-N 3.13Å; R2879-T2881 PolarHBondContact O-N 2.74Å
2880	D	50.2	Low	61.2	Low	156 Å²	156	122.8 Å²	122.8	83%	0.834	61%	0.608	S	S	*	*			trans	-61	14.5	175.9	-62.5	-45.1	0	0	0	115.2	I2878 E2882	I2878-D2880 PolarHBondContact O-N 2.82Å; D2880-E2882 PolarHBondContact O-N 3.2Å
2881	T	45.4	Very low	59.4	Low	104 Å²	104	125 Å²	125	64%	0.638	62%	0.621	S	S	*	*			trans	-90.7	69.8	-179.4	56.2	0	0	0	0	111.7	R2879 R2883	R2879-T2881 PolarHBondContact O-N 2.74Å; T2881-R2883 PolarHBondContact O-N 3.32Å
2882	E	43.9	Very low	57.8	Low	182 Å²	182	129.9 Å²	129.9	85%	0.85	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.3	59	163.4	-167.8	-158.8	-154.5	0	0	110.8	D2880	D2880-E2882 PolarHBondContact O-N 3.2Å
2883	R	44.8	Very low	56.5	Low	222 Å²	222	131.8 Å²	131.8	84%	0.838	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-162.2	19.8	-176.4	-138.5	159.7	-70.6	174.1	-0.9	117.4	T2881	T2881-R2883 PolarHBondContact O-N 3.32Å
2884	R	44.3	Very low	55.8	Low	234 Å²	234	136.4 Å²	136.4	88%	0.883	67%	0.668	S	S	*	*			trans	-131.7	101.4	162.2	-70.1	-167.6	-179.7	179.4	0.7	110.9
2885	R	43.6	Very low	55.8	Low	237 Å²	237	134.2 Å²	134.2	89%	0.894	66%	0.658	S	S	*	*			trans	-70.1	123.2	145.1	-69.3	177.9	-74	-135.3	-2.6	105.7
2886	D	48.7	Very low	56	Low	161 Å²	161	134 Å²	134	86%	0.861	65%	0.652	S	S	*	*			trans	-176.8	159	148.3	-82.3	-27.8	0	0	0	107
2887	S	43.9	Very low	56.5	Low	107 Å²	107	132.7 Å²	132.7	75%	0.748	64%	0.642	S	S	*	*			trans	-113.1	99.4	-154.1	55.5	0	0	0	0	115.1
2888	D	46.6	Very low	57.5	Low	156 Å²	156	129.7 Å²	129.7	83%	0.834	63%	0.625	S	S	*	*			trans	-128.4	86.4	169.8	-82.7	-52.4	0	0	0	111.1	S2890	D2888-S2890 PolarHBondContact O-N 2.8Å
2889	T	43.8	Very low	59	Low	138 Å²	138	125 Å²	125	85%	0.847	60%	0.601	S	S	*	*			trans	-88.5	79.5	-174	-51.9	0	0	0	0	111.9
2890	S	47.9	Very low	60.7	Low	94 Å²	94	116.6 Å²	116.6	66%	0.657	57%	0.57	S	S	*	*	S	Bend	trans	-146.4	-53.6	172.7	56.9	0	0	0	0	113.7	D2888 Q2892	D2888-S2890 PolarHBondContact O-N 2.8Å; S2890-Q2892 PolarHBondContact O-N 2.9Å
2891	N	44.6	Very low	62.3	Low	151 Å²	151	110.5 Å²	110.5	81%	0.807	54%	0.54	S	S	*	.			trans	-91.4	72.9	-177.8	-69.9	-24.6	0	0	0	112	I2893	N2891-I2893 PolarHBondContact O-N 3.26Å
2892	Q	55.5	Low	64	Low	128 Å²	128	106.9 Å²	106.9	60%	0.598	52%	0.518	S	S	*	.			trans	-66.1	115	163.7	-72.8	179.4	-12	0	0	109.1	S2890 R2894	S2890-Q2892 PolarHBondContact O-N 2.9Å; Q2892-R2894 HydrophobicContact CB-CG 4.22Å; Q2892-R2894 PolarHBondContact O-N 2.96Å
2893	I	62.6	Low	65.9	Low	93 Å²	93	98.3 Å²	98.3	48%	0.477	48%	0.478	S	S	.	.			trans	-67.3	126	166.7	-46.8	177.5	0	0	0	106.7	A2876 E2877 N2891	A2876-I2893 HydrophobicContact CB-CB 4.39Å; A2876-I2893 HydrophobicContact CB-CG2 3.78Å; E2877-I2893 HydrophobicContact CB-CD1 4.38Å; N2891-I2893 PolarHBondContact O-N 3.26Å
2894	R	75.8	Confident	67.8	Low	127 Å²	127	89.1 Å²	89.1	48%	0.479	44%	0.444	S	S	.	.			trans	-131.5	158.3	-176	-65.8	178.5	-179.3	-176	-2.8	109.8	Q2892 L2999	Q2892-R2894 HydrophobicContact CB-CG 4.22Å; Q2892-R2894 PolarHBondContact O-N 2.96Å; R2894-L2999 HydrophobicContact CB-CD1 3.64Å; R2894-L2999 HydrophobicContact CG-CD1 4.33Å
2895	D	87.7	Confident	70	Confident	20 Å²	20	80.9 Å²	80.9	11%	0.107	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	138.2	174.2	-71.5	-13.8	0	0	0	110.5	H2874 P2875 A2876 V3000 D3018 V3019	H2874-D2895 WeakPolarHBondContact O-CA 3.45Å; P2875-D2895 WeakPolarHBondContact CA-OD1 3.33Å; A2876-D2895 PolarHBondContact N-OD1 2.89Å; D2895-V3000 HydrophobicContact CB-CB 3.82Å; D2895-V3000 HydrophobicContact CB-CG1 4.45Å; D2895-V3000 PolarHBondContact O-N 2.85Å; D2895-D3018 WeakPolarHBondContact OD2-CA 3.28Å; D2895-V3019 HydrophobicContact CB-CB 4.2Å; D2895-V3019 HydrophobicContact CB-CG2 3.64Å; D2895-V3019 WeakPolarHBondContact OD2-CG2 3.4Å; D2895-V3019 PolarHBondContact OD2-N 3.41Å
2896	E	90	Very high	72.2	Confident	52 Å²	52	69.7 Å²	69.7	24%	0.243	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	155.8	173.9	-60.1	-174.7	160.6	0	0	111.6	H2874 W2898 R2997 Y2998 L2999 I3082	H2874-E2896 HydrophobicContact CB-CB 4.22Å; H2874-E2896 PolarHBondContact N-O 2.79Å; H2874-E2896 PolarHBondContact O-N 3.25Å; E2896-W2898 PolarHBondContact OE2-NE1 2.96Å; E2896-R2997 WeakPolarHBondContact OE2-CD 3.49Å; E2896-R2997 IonicContact OE2-NE 3.49Å; E2896-Y2998 CarbonylContact C-O 3.03Å; E2896-Y2998 VanDerWaalsContact CA-O 3.29Å; E2896-Y2998 WeakPolarHBondContact CA-O 3.33Å; E2896-L2999 HydrophobicContact CG-CD1 4.49Å; E2896-I3082 HydrophobicContact CG-CD1 4.37Å
2897	V	90.9	Very high	74.2	Confident	0 Å²	0	63 Å²	63	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	128.5	165.1	62.7	0	0	0	0	109.7	V2871 W2873 Y2998 V3000 V3068	V2871-V2897 HydrophobicContact CG1-CG2 3.49Å; V2871-V2897 VanDerWaalsContact CG1-CG2 3.49Å; W2873-V2897 HydrophobicContact CD2-CB 4.05Å; W2873-V2897 HydrophobicContact CD2-CG2 3.64Å; W2873-V2897 HydrophobicContact CE3-CB 3.67Å; W2873-V2897 HydrophobicContact CE3-CG2 3.8Å; W2873-V2897 HydrophobicContact CG-CG2 4.16Å; W2873-V2897 HydrophobicContact CH2-CB 4.39Å; W2873-V2897 HydrophobicContact CH2-CG2 4.23Å; W2873-V2897 HydrophobicContact CZ2-CG2 4.07Å; W2873-V2897 HydrophobicContact CZ3-CB 3.86Å; W2873-V2897 HydrophobicContact CZ3-CG1 4.21Å; W2873-V2897 HydrophobicContact CZ3-CG2 4.09Å; V2897-Y2998 HydrophobicContact CG1-CD2 4.24Å; V2897-Y2998 HydrophobicContact CG1-CG 4.43Å; V2897-Y2998 PolarHBondContact N-O 3.26Å; V2897-Y2998 PolarHBondContact O-N 2.92Å; V2897-V3000 HydrophobicContact CB-CG2 4.12Å; V2897-V3000 HydrophobicContact CG1-CG2 3.8Å; V2897-V3068 HydrophobicContact CG1-CG1 4.06Å; V2897-V3068 HydrophobicContact CG2-CG2 4.17Å
2898	W	90.3	Very high	76.5	Confident	64 Å²	64	58 Å²	58	24%	0.242	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	131.1	179.7	-62.7	22.7	0	0	0	107.8	V2871 T2872 H2874 E2896 R2997	V2871-W2898 WeakPolarHBondContact CA-O 3.49Å; T2872-W2898 PolarHBondContact N-O 2.88Å; T2872-W2898 PolarHBondContact O-N 2.72Å; H2874-W2898 AromaticContact CE1-CD1 3.71Å; H2874-W2898 AromaticContact CE1-CD2 3.49Å; H2874-W2898 VanDerWaalsContact CE1-CD2 3.49Å; H2874-W2898 AromaticContact CE1-CE2 3.63Å; H2874-W2898 AromaticContact CE1-CG 3.59Å; H2874-W2898 AromaticContact CE1-NE1 3.74Å; H2874-W2898 AromaticContact ND1-CD1 3.44Å; H2874-W2898 AromaticContact ND1-CE2 3.96Å; H2874-W2898 AromaticContact ND1-CG 3.74Å; H2874-W2898 AromaticContact ND1-NE1 3.59Å; E2896-W2898 PolarHBondContact OE2-NE1 2.96Å; W2898-R2997 HydrophobicContact CG-CG 4.38Å
2899	V	88.7	Confident	78.6	Confident	16 Å²	16	52.8 Å²	52.8	10%	0.097	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	115	-179.7	-175.5	0	0	0	0	108.6	V2871 S2996 Y2998 V3068	V2871-V2899 HydrophobicContact CG2-CG1 4.46Å; V2871-V2899 HydrophobicContact CG2-CG2 4.43Å; V2899-S2996 PolarHBondContact N-O 2.9Å; V2899-S2996 PolarHBondContact O-N 2.73Å; V2899-Y2998 HydrophobicContact CB-CE2 4.4Å; V2899-Y2998 HydrophobicContact CG2-CD2 4.25Å; V2899-Y2998 HydrophobicContact CG2-CE2 3.93Å; V2899-V3068 HydrophobicContact CG2-CB 4Å; V2899-V3068 HydrophobicContact CG2-CG1 3.97Å; V2899-V3068 HydrophobicContact CG2-CG2 3.98Å
2900	D	86.5	Confident	80.9	Confident	6 Å²	6	46.4 Å²	46.4	3%	0.032	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	110.9	177.2	-75	0	0	0	0	108.8	S2869 M2870 I2993 Q2994 R2995	S2869-D2900 CarbonylContact C-O 3.55Å; S2869-D2900 WeakPolarHBondContact CA-O 3.38Å; M2870-D2900 HydrophobicContact CB-CB 4.25Å; M2870-D2900 HydrophobicContact CE-CB 4.04Å; M2870-D2900 WeakPolarHBondContact CE-OD2 3.18Å; M2870-D2900 PolarHBondContact N-O 3.33Å; M2870-D2900 PolarHBondContact O-N 2.8Å; D2900-I2993 HydrophobicContact CB-CG2 3.84Å; D2900-Q2994 WeakPolarHBondContact CA-O 3.4Å; D2900-R2995 WeakPolarHBondContact OD1-CB 3.41Å; D2900-R2995 VanDerWaalsContact OD1-CG 3.3Å; D2900-R2995 WeakPolarHBondContact OD1-CG 3.17Å; D2900-R2995 IonicContact OD1-CZ 3.26Å; D2900-R2995 IonicContact OD1-NE 2.96Å; D2900-R2995 PolarHBondContact OD1-NE 3.12Å; D2900-R2995 IonicContact OD1-NH2 2.71Å; D2900-R2995 PolarHBondContact OD1-NH2 3.32Å; D2900-R2995 IonicContact OD2-CZ 3.47Å; D2900-R2995 IonicContact OD2-NE 2.72Å; D2900-R2995 IonicContact OD2-NH2 2.68Å; D2900-R2995 PolarHBondContact OD2-NH2 2.99Å
2901	S	82.9	Confident	83	Confident	28 Å²	28	44.8 Å²	44.8	20%	0.196	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	138.8	-177.8	-57.4	0	0	0	0	111.9	S2869 G2903 I2993 Q2994	S2869-S2901 WeakPolarHBondContact CB-OG 3.39Å; S2869-S2901 PolarHBondContact OG-OG 3.4Å; S2901-G2903 PolarHBondContact O-N 2.82Å; S2901-I2993 WeakPolarHBondContact O-CA 3.32Å; S2901-I2993 WeakPolarHBondContact O-CG2 3.4Å; S2901-Q2994 PolarHBondContact N-O 3.13Å; S2901-Q2994 PolarHBondContact O-N 3.4Å
2902	P	81.7	Confident	85.2	Confident	29 Å²	29	37.7 Å²	37.7	19%	0.188	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	125.4	167	29.7	-32.3	0	0	0	108.9
2903	G	82.6	Confident	87	Confident	1 Å²	1	31.6 Å²	31.6	1%	0.01	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	149.9	179.2	0	0	0	0	0	112.2	S2901 R2989 T2990	S2901-G2903 PolarHBondContact O-N 2.82Å; G2903-R2989 CarbonylContact O-C 3.58Å; G2903-R2989 WeakPolarHBondContact O-CA 3.45Å; G2903-T2990 WeakPolarHBondContact CA-OG1 3.27Å; G2903-T2990 PolarHBondContact N-OG1 3.14Å; G2903-T2990 PolarHBondContact O-N 2.83Å; G2903-T2990 PolarHBondContact O-OG1 3Å
2904	K	86.3	Confident	88.5	Confident	29 Å²	29	29.2 Å²	29.2	13%	0.126	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	147.4	-176.2	-57	167.8	-175.1	173.7	0	110.7	S2850 D2851 I2863 D2865 L2906 I2986 R2989	S2850-K2904 CarbonylContact C-O 3.57Å; S2850-K2904 WeakPolarHBondContact CA-O 3.38Å; D2851-K2904 HydrophobicContact CB-CB 4.06Å; D2851-K2904 PolarHBondContact N-O 2.93Å; D2851-K2904 PolarHBondContact OD1-N 3.15Å; D2851-K2904 VanDerWaalsContact OD1-O 3.14Å; D2851-K2904 WeakPolarHBondContact OD2-CB 3.29Å; D2851-K2904 WeakPolarHBondContact OD2-CG 3.39Å; D2851-K2904 PolarHBondContact OD2-N 2.97Å; I2863-K2904 HydrophobicContact CG2-CD 4.06Å; D2865-K2904 VanDerWaalsContact CB-NZ 3.34Å; K2904-L2906 HydrophobicContact CB-CD1 4.24Å; K2904-I2986 HydrophobicContact CD-CD1 4.25Å; K2904-R2989 HydrophobicContact CG-CG 4.38Å
2905	L	88.8	Confident	89.3	Confident	62 Å²	62	23.9 Å²	23.9	33%	0.325	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	129.4	169	-162.5	74.1	0	0	0	108.7	Y2848 V2987 W2988	Y2848-L2905 HydrophobicContact CD1-CD2 4.33Å; Y2848-L2905 HydrophobicContact CG-CD2 4.31Å; L2905-V2987 HydrophobicContact CB-CG2 4.41Å; L2905-V2987 HydrophobicContact CD2-CG2 4.42Å; L2905-V2987 HydrophobicContact CG-CG2 4.46Å; L2905-V2987 WeakPolarHBondContact O-CG2 3.42Å; L2905-V2987 PolarHBondContact O-N 3.49Å; L2905-W2988 HydrophobicContact CB-CB 3.86Å; L2905-W2988 HydrophobicContact CD2-CB 4.39Å; L2905-W2988 PolarHBondContact N-O 3.44Å; L2905-W2988 PolarHBondContact O-N 3.03Å
2906	L	90	Very high	89.3	Confident	2 Å²	2	23.8 Å²	23.8	1%	0.01	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	137.5	179.3	-65	87.2	0	0	0	110.3	Y2848 L2849 D2851 V2854 I2863 K2904 L2908 A2984 K2985 I2986	Y2848-L2906 WeakPolarHBondContact CA-O 3.2Å; L2849-L2906 PolarHBondContact N-O 2.86Å; L2849-L2906 VanDerWaalsContact N-O 3.08Å; L2849-L2906 PolarHBondContact O-N 2.94Å; D2851-L2906 HydrophobicContact CB-CD1 3.89Å; V2854-L2906 HydrophobicContact CG1-CD2 4.49Å; V2854-L2906 HydrophobicContact CG2-CB 4.21Å; V2854-L2906 HydrophobicContact CG2-CD1 4.35Å; V2854-L2906 HydrophobicContact CG2-CD2 4.38Å; I2863-L2906 HydrophobicContact CD1-CD1 4.26Å; I2863-L2906 HydrophobicContact CD1-CD2 4.12Å; I2863-L2906 HydrophobicContact CG1-CD2 4.26Å; I2863-L2906 HydrophobicContact CG2-CD2 4.16Å; K2904-L2906 HydrophobicContact CB-CD1 4.24Å; L2906-L2908 HydrophobicContact CB-CD1 4.1Å; L2906-L2908 WeakPolarHBondContact O-CD1 2.8Å; L2906-A2984 HydrophobicContact CD2-CB 3.88Å; L2906-K2985 CarbonylContact C-O 3.57Å; L2906-K2985 VanDerWaalsContact CA-O 3.26Å; L2906-K2985 WeakPolarHBondContact CA-O 3.5Å; L2906-I2986 HydrophobicContact CD2-CG1 4.3Å; L2906-I2986 HydrophobicContact CG-CG1 4.2Å
2907	E	91.7	Very high	89.1	Confident	21 Å²	21	23.9 Å²	23.9	10%	0.098	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	121.1	167.2	-170.6	-178.6	138.8	0	0	108.4	S2828 P2846 T2847 Y2848 A2984 K2985 V2987	S2828-E2907 PolarHBondContact OG-OE2 2.94Å; P2846-E2907 HydrophobicContact CB-CG 4.2Å; T2847-E2907 WeakPolarHBondContact O-CA 3.14Å; Y2848-E2907 HydrophobicContact CD1-CB 4.01Å; Y2848-E2907 HydrophobicContact CD1-CG 4.3Å; Y2848-E2907 HydrophobicContact CE1-CB 3.67Å; Y2848-E2907 HydrophobicContact CE1-CG 3.65Å; E2907-A2984 WeakPolarHBondContact O-CA 3.43Å; E2907-K2985 PolarHBondContact N-O 3.13Å; E2907-K2985 PolarHBondContact O-N 3.22Å; E2907-V2987 HydrophobicContact CB-CG1 3.65Å; E2907-V2987 HydrophobicContact CB-CG2 4.25Å
2908	L	91	Very high	88.9	Confident	1 Å²	1	27 Å²	27	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	153.2	174	-56.9	92.5	0	0	0	109.5	P2846 T2847 L2849 V2854 L2906 L2969 L2982 A2984	P2846-L2908 CarbonylContact C-O 3.55Å; P2846-L2908 WeakPolarHBondContact CA-O 2.89Å; T2847-L2908 HydrophobicContact CG2-CB 4.19Å; T2847-L2908 PolarHBondContact N-O 3.11Å; T2847-L2908 PolarHBondContact O-N 3.26Å; L2849-L2908 HydrophobicContact CB-CD1 3.89Å; L2849-L2908 HydrophobicContact CD1-CD1 4.11Å; L2849-L2908 HydrophobicContact CG-CD1 4.11Å; V2854-L2908 HydrophobicContact CG2-CD1 3.75Å; V2854-L2908 HydrophobicContact CG2-CD2 3.98Å; V2854-L2908 HydrophobicContact CG2-CG 4.42Å; L2906-L2908 HydrophobicContact CB-CD1 4.1Å; L2906-L2908 WeakPolarHBondContact O-CD1 2.8Å; L2908-L2969 HydrophobicContact CD2-CD1 3.88Å; L2908-L2982 HydrophobicContact CD2-CB 4.43Å; L2908-L2982 HydrophobicContact CD2-CD1 4.15Å; L2908-A2984 HydrophobicContact CD2-CB 3.83Å; L2908-A2984 HydrophobicContact CG-CB 3.81Å
2909	K	91.5	Very high	88.7	Confident	47 Å²	47	28.6 Å²	28.6	20%	0.204	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	117.6	-178.2	-54	-176.3	-174	87.2	0	110.6	Y2844 L2969 A2970 D2983	Y2844-K2909 HydrophobicContact CD1-CD 4.27Å; Y2844-K2909 HydrophobicContact CD2-CB 3.71Å; Y2844-K2909 HydrophobicContact CD2-CD 3.72Å; Y2844-K2909 HydrophobicContact CD2-CG 3.69Å; Y2844-K2909 HydrophobicContact CE1-CD 4.17Å; Y2844-K2909 HydrophobicContact CE2-CB 4.39Å; Y2844-K2909 HydrophobicContact CE2-CD 3.61Å; Y2844-K2909 HydrophobicContact CE2-CG 3.84Å; Y2844-K2909 HydrophobicContact CG-CB 4.02Å; Y2844-K2909 HydrophobicContact CG-CD 4.06Å; Y2844-K2909 HydrophobicContact CG-CG 4.31Å; K2909-L2969 CarbonylContact O-C 3.55Å; K2909-L2969 WeakPolarHBondContact O-CA 3.48Å; K2909-A2970 HydrophobicContact CB-CB 3.91Å; K2909-A2970 PolarHBondContact O-N 3.01Å; K2909-D2983 WeakPolarHBondContact CD-OD2 3.26Å; K2909-D2983 IonicContact NZ-OD1 2.66Å; K2909-D2983 PolarHBondContact NZ-OD1 2.99Å; K2909-D2983 IonicContact NZ-OD2 3.21Å; K2909-D2983 PolarHBondContact NZ-OD2 2.84Å
2910	I	92.5	Very high	88.8	Confident	4 Å²	4	33 Å²	33	2%	0.021	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	125.5	170.7	-57.5	171.9	0	0	0	108.2	Y2844 L2845 T2847 V2913 A2924 L2933 L2958 V2967 R2968 L2969	Y2844-I2910 CarbonylContact C-O 3.57Å; Y2844-I2910 WeakPolarHBondContact CA-O 3.42Å; Y2844-I2910 VanDerWaalsContact CB-O 3.27Å; Y2844-I2910 WeakPolarHBondContact CB-O 3.44Å; L2845-I2910 PolarHBondContact N-O 3.37Å; L2845-I2910 PolarHBondContact O-N 3.49Å; T2847-I2910 HydrophobicContact CG2-CD1 4.02Å; T2847-I2910 HydrophobicContact CG2-CG1 3.96Å; I2910-V2913 HydrophobicContact CG2-CG2 4.33Å; I2910-A2924 HydrophobicContact CB-CB 4.26Å; I2910-A2924 HydrophobicContact CG2-CB 3.86Å; I2910-A2924 VanDerWaalsContact O-CB 3.27Å; I2910-A2924 WeakPolarHBondContact O-CB 3.1Å; I2910-L2933 HydrophobicContact CD1-CD1 4.2Å; I2910-L2933 HydrophobicContact CD1-CD2 3.89Å; I2910-L2933 HydrophobicContact CG2-CD2 4.25Å; I2910-L2958 HydrophobicContact CD1-CD1 4.2Å; I2910-L2958 HydrophobicContact CD1-CD2 4.14Å; I2910-V2967 HydrophobicContact CD1-CG1 4.37Å; I2910-V2967 HydrophobicContact CG1-CG1 4.24Å; I2910-V2967 HydrophobicContact CG2-CG1 3.65Å; I2910-R2968 WeakPolarHBondContact CA-O 3.46Å; I2910-L2969 HydrophobicContact CG1-CD2 3.93Å
2911	T	92.2	Very high	89	Confident	59 Å²	59	37 Å²	37	36%	0.362	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	-32.1	-178.4	53.7	0	0	0	0	112.9	A2924 R2968 A2970	T2911-A2924 PolarHBondContact O-N 3.19Å; T2911-R2968 PolarHBondContact N-O 3.21Å; T2911-R2968 PolarHBondContact OG1-O 2.92Å; T2911-A2970 HydrophobicContact CG2-CB 4.04Å
2912	G	91	Very high	89.4	Confident	2 Å²	2	36 Å²	36	2%	0.021	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.4	169	179.2	0	0	0	0	0	113	V2922 R2968	G2912-V2922 CarbonylContact C-O 3.58Å; G2912-V2922 WeakPolarHBondContact CA-O 3.07Å; G2912-R2968 PolarHBondContact O-N 2.8Å
2913	V	93.4	Very high	89.9	Confident	0 Å²	0	37 Å²	37	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	140.4	-175.9	-178	0	0	0	0	108.8	I2910 I2921 V2922 A2927 L2933 Y2937 A2966 V2967	I2910-V2913 HydrophobicContact CG2-CG2 4.33Å; V2913-I2921 WeakPolarHBondContact O-CA 3.27Å; V2913-V2922 HydrophobicContact CB-CG2 4.37Å; V2913-V2922 PolarHBondContact N-O 2.86Å; V2913-V2922 VanDerWaalsContact O-CG2 3.26Å; V2913-V2922 WeakPolarHBondContact O-CG2 3.34Å; V2913-V2922 PolarHBondContact O-N 3.28Å; V2913-A2927 HydrophobicContact CB-CB 3.56Å; V2913-A2927 HydrophobicContact CG1-CB 4.17Å; V2913-A2927 HydrophobicContact CG2-CB 3.49Å; V2913-A2927 VanDerWaalsContact CG2-CB 3.49Å; V2913-L2933 HydrophobicContact CG2-CB 4.41Å; V2913-L2933 HydrophobicContact CG2-CD2 4.07Å; V2913-Y2937 HydrophobicContact CG1-CD2 3.66Å; V2913-Y2937 HydrophobicContact CG1-CE2 3.51Å; V2913-A2966 CarbonylContact C-O 3.36Å; V2913-A2966 WeakPolarHBondContact CA-O 3.47Å; V2913-V2967 HydrophobicContact CG1-CG2 4.3Å; V2913-V2967 HydrophobicContact CG2-CG1 4.49Å; V2913-V2967 HydrophobicContact CG2-CG2 4.27Å
2914	I	93.5	Very high	90.3	Very high	44 Å²	44	37 Å²	37	23%	0.226	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	132.9	174.3	-56.9	-176.4	0	0	0	108.8	E2920 I2921 Y2937 K2965 A2966	I2914-E2920 CarbonylContact C-O 3.55Å; I2914-E2920 WeakPolarHBondContact CA-O 3.27Å; I2914-I2921 HydrophobicContact CG1-CG1 4.21Å; I2914-Y2937 PolarHBondContact O-OH 3.01Å; I2914-K2965 VanDerWaalsContact CD1-O 3.23Å; I2914-K2965 WeakPolarHBondContact CD1-O 3.44Å; I2914-A2966 PolarHBondContact N-O 2.87Å
2915	V	91.7	Very high	90.5	Very high	15 Å²	15	37.9 Å²	37.9	9%	0.091	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-78.6	127.5	172.9	-175.5	0	0	0	0	109.2	G2917 T2918 S2919 E2920 V2922 L2932	V2915-G2917 PolarHBondContact O-N 3.35Å; V2915-T2918 WeakPolarHBondContact CB-OG1 3.35Å; V2915-T2918 HydrophobicContact CG1-CG2 4.4Å; V2915-S2919 PolarHBondContact O-N 2.83Å; V2915-S2919 VanDerWaalsContact O-N 3.15Å; V2915-E2920 PolarHBondContact N-O 3.01Å; V2915-V2922 HydrophobicContact CG2-CB 4.27Å; V2915-V2922 HydrophobicContact CG2-CG1 3.53Å; V2915-V2922 HydrophobicContact CG2-CG2 3.75Å; V2915-L2932 HydrophobicContact CB-CD1 4.38Å; V2915-L2932 HydrophobicContact CG1-CD1 4.25Å; V2915-L2932 HydrophobicContact CG2-CD1 3.91Å
2916	P	88.7	Confident	90.5	Very high	17 Å²	17	38 Å²	38	11%	0.11	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	138.9	170.7	-23.2	30.7	0	0	0	111.6	T2918 L2932 Y2937 E2941	P2916-T2918 PolarHBondContact O-N 3.42Å; P2916-L2932 VanDerWaalsContact CD-CD2 3.48Å; P2916-L2932 HydrophobicContact CG-CD2 4.03Å; P2916-Y2937 WeakPolarHBondContact CG-OH 3.49Å; P2916-E2941 HydrophobicContact CB-CG 3.87Å
2917	G	85	Confident	90.6	Very high	54 Å²	54	38 Å²	38	56%	0.557	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.9	-41.2	176.3	0	0	0	0	0	116	V2915 E2941	V2915-G2917 PolarHBondContact O-N 3.35Å; G2917-E2941 WeakPolarHBondContact CA-OE1 3.38Å; G2917-E2941 WeakPolarHBondContact CA-OE2 3.33Å; G2917-E2941 PolarHBondContact N-OE2 3.04Å
2918	T	87.8	Confident	90.6	Very high	67 Å²	67	42.3 Å²	42.3	41%	0.411	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-22.2	179.2	78.6	0	0	0	0	113	V2915 P2916 E2920	V2915-T2918 WeakPolarHBondContact CB-OG1 3.35Å; V2915-T2918 HydrophobicContact CG1-CG2 4.4Å; P2916-T2918 PolarHBondContact O-N 3.42Å; T2918-E2920 VanDerWaalsContact CB-OE2 3.28Å; T2918-E2920 WeakPolarHBondContact CB-OE2 3.15Å; T2918-E2920 PolarHBondContact O-N 3.24Å; T2918-E2920 VanDerWaalsContact O-N 3.13Å; T2918-E2920 WeakPolarHBondContact OG1-CB 3.24Å; T2918-E2920 WeakPolarHBondContact OG1-CG 3.25Å; T2918-E2920 PolarHBondContact OG1-N 3.14Å; T2918-E2920 PolarHBondContact OG1-OE2 3.05Å
2919	S	84.6	Confident	90.6	Very high	96 Å²	96	49.8 Å²	49.8	67%	0.671	28%	0.276	S	S	*	.			trans	60.9	7.1	-172.7	72.9	0	0	0	0	115.2	V2915	V2915-S2919 PolarHBondContact O-N 2.83Å; V2915-S2919 VanDerWaalsContact O-N 3.15Å
2920	E	90.9	Very high	90.6	Very high	110 Å²	110	53.3 Å²	53.3	51%	0.514	29%	0.288	S	S	.	.			trans	-69.2	147.6	175.5	-63.2	167.6	132.5	0	0	110.7	I2914 V2915 T2918	I2914-E2920 CarbonylContact C-O 3.55Å; I2914-E2920 WeakPolarHBondContact CA-O 3.27Å; V2915-E2920 PolarHBondContact N-O 3.01Å; T2918-E2920 VanDerWaalsContact CB-OE2 3.28Å; T2918-E2920 WeakPolarHBondContact CB-OE2 3.15Å; T2918-E2920 PolarHBondContact O-N 3.24Å; T2918-E2920 VanDerWaalsContact O-N 3.13Å; T2918-E2920 WeakPolarHBondContact OG1-CB 3.24Å; T2918-E2920 WeakPolarHBondContact OG1-CG 3.25Å; T2918-E2920 PolarHBondContact OG1-N 3.14Å; T2918-E2920 PolarHBondContact OG1-OE2 3.05Å
2921	I	91.1	Very high	90.4	Very high	88 Å²	88	53.5 Å²	53.5	45%	0.451	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	107.7	178.2	-58.5	144.9	0	0	0	108	V2913 I2914 R2968	V2913-I2921 WeakPolarHBondContact O-CA 3.27Å; I2914-I2921 HydrophobicContact CG1-CG1 4.21Å; I2921-R2968 VanDerWaalsContact CD1-CZ 3.5Å; I2921-R2968 VanDerWaalsContact CD1-NH2 3.32Å
2922	V	91.3	Very high	90.3	Very high	9 Å²	9	50.9 Å²	50.9	6%	0.055	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	156.2	172.8	-71	0	0	0	0	110.9	G2912 V2913 V2915 E2926 A2927 L2932	G2912-V2922 CarbonylContact C-O 3.58Å; G2912-V2922 WeakPolarHBondContact CA-O 3.07Å; V2913-V2922 HydrophobicContact CB-CG2 4.37Å; V2913-V2922 PolarHBondContact N-O 2.86Å; V2913-V2922 VanDerWaalsContact O-CG2 3.26Å; V2913-V2922 WeakPolarHBondContact O-CG2 3.34Å; V2913-V2922 PolarHBondContact O-N 3.28Å; V2915-V2922 HydrophobicContact CG2-CB 4.27Å; V2915-V2922 HydrophobicContact CG2-CG1 3.53Å; V2915-V2922 HydrophobicContact CG2-CG2 3.75Å; V2922-E2926 HydrophobicContact CB-CB 4.26Å; V2922-E2926 HydrophobicContact CB-CG 4.03Å; V2922-E2926 WeakPolarHBondContact CB-OE2 3.3Å; V2922-E2926 HydrophobicContact CG1-CG 4.19Å; V2922-E2926 WeakPolarHBondContact CG1-OE2 3.46Å; V2922-A2927 HydrophobicContact CG2-CB 3.92Å; V2922-L2932 HydrophobicContact CG2-CD1 4.27Å
2923	S	92.6	Very high	90.3	Very high	49 Å²	49	51 Å²	51	34%	0.343	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	154.5	174.4	66	0	0	0	0	111.4	S2925 E2926 A2927	S2923-S2925 VanDerWaalsContact C-N 3.29Å; S2923-S2925 PolarHBondContact O-N 3.41Å; S2923-S2925 PolarHBondContact OG-OG 2.95Å; S2923-E2926 PolarHBondContact O-N 2.84Å; S2923-E2926 VanDerWaalsContact O-N 3.12Å; S2923-E2926 WeakPolarHBondContact OG-CB 3.28Å; S2923-E2926 PolarHBondContact OG-N 2.89Å; S2923-A2927 WeakPolarHBondContact O-CB 3.49Å; S2923-A2927 PolarHBondContact O-N 3.47Å
2924	A	91.6	Very high	89.9	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-57.3	-42.4	179.9	0	0	0	0	0	112.7	L2845 I2910 T2911 A2927 F2928	L2845-A2924 HydrophobicContact CB-CB 4.07Å; L2845-A2924 HydrophobicContact CD1-CB 4.05Å; L2845-A2924 WeakPolarHBondContact CD1-O 3.24Å; L2845-A2924 HydrophobicContact CG-CB 3.85Å; I2910-A2924 HydrophobicContact CB-CB 4.26Å; I2910-A2924 HydrophobicContact CG2-CB 3.86Å; I2910-A2924 VanDerWaalsContact O-CB 3.27Å; I2910-A2924 WeakPolarHBondContact O-CB 3.1Å; T2911-A2924 PolarHBondContact O-N 3.19Å; A2924-A2927 PolarHBondContact O-N 3.32Å; A2924-F2928 PolarHBondContact O-N 3.43Å; A2924-F2928 VanDerWaalsContact O-N 3.13Å
2925	S	89.9	Confident	89.3	Confident	48 Å²	48	62.8 Å²	62.8	34%	0.336	33%	0.331	S	S	.	.	H	α-helix	trans	-60.7	-44.8	173.4	39.7	0	0	0	0	112.7	S2923 F2928 Y2929	S2923-S2925 VanDerWaalsContact C-N 3.29Å; S2923-S2925 PolarHBondContact O-N 3.41Å; S2923-S2925 PolarHBondContact OG-OG 2.95Å; S2925-F2928 WeakPolarHBondContact O-CB 3.35Å; S2925-F2928 PolarHBondContact O-N 2.92Å; S2925-Y2929 WeakPolarHBondContact O-CD2 3.5Å; S2925-Y2929 PolarHBondContact O-N 2.71Å
2926	E	89.6	Confident	89.2	Confident	66 Å²	66	64 Å²	64	31%	0.308	34%	0.339	S	S	.	.	H	α-helix	trans	-67	-39.2	177.8	179.8	-179.1	-172	0	0	112.2	V2922 S2923 F2928 Y2929 R2930	V2922-E2926 HydrophobicContact CB-CB 4.26Å; V2922-E2926 HydrophobicContact CB-CG 4.03Å; V2922-E2926 WeakPolarHBondContact CB-OE2 3.3Å; V2922-E2926 HydrophobicContact CG1-CG 4.19Å; V2922-E2926 WeakPolarHBondContact CG1-OE2 3.46Å; S2923-E2926 PolarHBondContact O-N 2.84Å; S2923-E2926 VanDerWaalsContact O-N 3.12Å; S2923-E2926 WeakPolarHBondContact OG-CB 3.28Å; S2923-E2926 PolarHBondContact OG-N 2.89Å; E2926-F2928 PolarHBondContact O-N 3.43Å; E2926-Y2929 PolarHBondContact O-N 2.9Å; E2926-R2930 HydrophobicContact CG-CG 4.21Å; E2926-R2930 WeakPolarHBondContact O-CB 3.31Å; E2926-R2930 WeakPolarHBondContact O-CG 3.24Å; E2926-R2930 PolarHBondContact O-N 3.08Å; E2926-R2930 IonicContact OE1-CZ 2.58Å; E2926-R2930 IonicContact OE1-NE 2.64Å; E2926-R2930 PolarHBondContact OE1-NE 3.47Å; E2926-R2930 IonicContact OE1-NH2 3.98Å; E2926-R2930 PolarHBondContact OE1-NH2 3.02Å
2927	A	92.3	Very high	89.3	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-59.8	-37.6	174.2	0	0	0	0	0	112	V2913 V2922 S2923 A2924 G2931 L2932 L2933	V2913-A2927 HydrophobicContact CB-CB 3.56Å; V2913-A2927 HydrophobicContact CG1-CB 4.17Å; V2913-A2927 HydrophobicContact CG2-CB 3.49Å; V2913-A2927 VanDerWaalsContact CG2-CB 3.49Å; V2922-A2927 HydrophobicContact CG2-CB 3.92Å; S2923-A2927 WeakPolarHBondContact O-CB 3.49Å; S2923-A2927 PolarHBondContact O-N 3.47Å; A2924-A2927 PolarHBondContact O-N 3.32Å; A2927-G2931 PolarHBondContact O-N 2.94Å; A2927-L2932 HydrophobicContact CB-CB 4.32Å; A2927-L2932 WeakPolarHBondContact O-CB 3.39Å; A2927-L2932 PolarHBondContact O-N 3.26Å; A2927-L2933 HydrophobicContact CB-CB 3.86Å; A2927-L2933 PolarHBondContact O-N 3.25Å
2928	F	91	Very high	89.5	Confident	113 Å²	113	65 Å²	65	50%	0.496	32%	0.323	S	S	.	.	H	α-helix	trans	-65.5	-48.8	173.9	179.4	-95.7	0	0	0	111.7	L2845 A2924 S2925 E2926 R2930 G2931 L2933	L2845-F2928 HydrophobicContact CD1-CB 3.92Å; A2924-F2928 PolarHBondContact O-N 3.43Å; A2924-F2928 VanDerWaalsContact O-N 3.13Å; S2925-F2928 WeakPolarHBondContact O-CB 3.35Å; S2925-F2928 PolarHBondContact O-N 2.92Å; E2926-F2928 PolarHBondContact O-N 3.43Å; F2928-R2930 PolarHBondContact O-N 3.38Å; F2928-G2931 PolarHBondContact O-N 3.19Å; F2928-L2933 WeakPolarHBondContact CA-O 3.47Å; F2928-L2933 WeakPolarHBondContact CD2-O 3.22Å
2929	Y	91.5	Very high	89.5	Confident	158 Å²	158	62.4 Å²	62.4	62%	0.62	31%	0.307	S	S	*	.	H	α-helix	trans	-65.7	-35.7	177.2	-68.9	-60.6	0	0	0	113.6	S2925 E2926 G2931	S2925-Y2929 WeakPolarHBondContact O-CD2 3.5Å; S2925-Y2929 PolarHBondContact O-N 2.71Å; E2926-Y2929 PolarHBondContact O-N 2.9Å; Y2929-G2931 PolarHBondContact O-N 3.39Å
2930	R	89.7	Confident	89.5	Confident	121 Å²	121	62.7 Å²	62.7	46%	0.457	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-4.6	171.6	-69.9	-177.9	-178.2	-138.2	10.5	113.2	E2926 F2928 L2932 Y2940	E2926-R2930 HydrophobicContact CG-CG 4.21Å; E2926-R2930 WeakPolarHBondContact O-CB 3.31Å; E2926-R2930 WeakPolarHBondContact O-CG 3.24Å; E2926-R2930 PolarHBondContact O-N 3.08Å; E2926-R2930 IonicContact OE1-CZ 2.58Å; E2926-R2930 IonicContact OE1-NE 2.64Å; E2926-R2930 PolarHBondContact OE1-NE 3.47Å; E2926-R2930 IonicContact OE1-NH2 3.98Å; E2926-R2930 PolarHBondContact OE1-NH2 3.02Å; F2928-R2930 PolarHBondContact O-N 3.38Å; R2930-L2932 HydrophobicContact CB-CD1 4.06Å; R2930-L2932 HydrophobicContact CB-CG 4.15Å; R2930-L2932 PolarHBondContact O-N 2.9Å; R2930-Y2940 PolarHBondContact O-OH 3.36Å
2931	G	89.2	Confident	89	Confident	8 Å²	8	63.9 Å²	63.9	8%	0.082	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.2	0.4	-177.7	0	0	0	0	0	115.5	A2927 F2928 Y2929 L2933	A2927-G2931 PolarHBondContact O-N 2.94Å; F2928-G2931 PolarHBondContact O-N 3.19Å; Y2929-G2931 PolarHBondContact O-N 3.39Å; G2931-L2933 VanDerWaalsContact C-N 3.26Å; G2931-L2933 PolarHBondContact O-N 2.87Å
2932	L	90.8	Very high	88.2	Confident	3 Å²	3	64 Å²	64	2%	0.016	30%	0.297	C	S	.	.	S	Bend	trans	-64.2	-30.6	175.8	-68.9	168.8	0	0	0	112.3	V2915 P2916 V2922 A2927 R2930 Y2937 W2938 Y2940	V2915-L2932 HydrophobicContact CB-CD1 4.38Å; V2915-L2932 HydrophobicContact CG1-CD1 4.25Å; V2915-L2932 HydrophobicContact CG2-CD1 3.91Å; P2916-L2932 VanDerWaalsContact CD-CD2 3.48Å; P2916-L2932 HydrophobicContact CG-CD2 4.03Å; V2922-L2932 HydrophobicContact CG2-CD1 4.27Å; A2927-L2932 HydrophobicContact CB-CB 4.32Å; A2927-L2932 WeakPolarHBondContact O-CB 3.39Å; A2927-L2932 PolarHBondContact O-N 3.26Å; R2930-L2932 HydrophobicContact CB-CD1 4.06Å; R2930-L2932 HydrophobicContact CB-CG 4.15Å; R2930-L2932 PolarHBondContact O-N 2.9Å; L2932-Y2937 CarbonylContact O-C 3.47Å; L2932-Y2937 WeakPolarHBondContact O-CA 3.42Å; L2932-W2938 PolarHBondContact O-N 3.06Å; L2932-Y2940 HydrophobicContact CD2-CD2 3.75Å; L2932-Y2940 HydrophobicContact CD2-CE2 3.41Å; L2932-Y2940 VanDerWaalsContact CD2-CE2 3.41Å; L2932-Y2940 HydrophobicContact CG-CE2 4.21Å
2933	L	90.8	Very high	87.1	Confident	5 Å²	5	67.6 Å²	67.6	3%	0.026	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-120.7	120.7	179.4	-174.8	66.6	0	0	0	110.5	L2845 I2910 V2913 A2927 F2928 G2931 L2958	L2845-L2933 HydrophobicContact CD1-CD2 3.97Å; I2910-L2933 HydrophobicContact CD1-CD1 4.2Å; I2910-L2933 HydrophobicContact CD1-CD2 3.89Å; I2910-L2933 HydrophobicContact CG2-CD2 4.25Å; V2913-L2933 HydrophobicContact CG2-CB 4.41Å; V2913-L2933 HydrophobicContact CG2-CD2 4.07Å; A2927-L2933 HydrophobicContact CB-CB 3.86Å; A2927-L2933 PolarHBondContact O-N 3.25Å; F2928-L2933 WeakPolarHBondContact CA-O 3.47Å; F2928-L2933 WeakPolarHBondContact CD2-O 3.22Å; G2931-L2933 VanDerWaalsContact C-N 3.26Å; G2931-L2933 PolarHBondContact O-N 2.87Å; L2933-L2958 HydrophobicContact CD1-CD1 4.06Å
2934	R	84.1	Confident	85.7	Confident	156 Å²	156	66.4 Å²	66.4	59%	0.589	31%	0.311	S	S	*	.	S	Bend	trans	-133	-141.5	170	-61.6	-176.9	177.1	-177.9	-0.6	107.6	V2936	R2934-V2936 PolarHBondContact N-O 3.49Å; R2934-V2936 PolarHBondContact O-N 3.25Å
2935	V	81.9	Confident	84.2	Confident	136 Å²	136	73.1 Å²	73.1	82%	0.824	35%	0.354	S	S	*	.	S	Bend	trans	-62.1	-17	162.6	-172.4	0	0	0	0	111.7
2936	V	88.9	Confident	82.3	Confident	41 Å²	41	82.6 Å²	82.6	25%	0.248	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	156.7	177	-68.3	0	0	0	0	109.5	R2934 I2956	R2934-V2936 PolarHBondContact N-O 3.49Å; R2934-V2936 PolarHBondContact O-N 3.25Å; V2936-I2956 WeakPolarHBondContact CB-O 3.49Å
2937	Y	91.3	Very high	80.5	Confident	8 Å²	8	84 Å²	84	3%	0.031	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	140.3	166.2	169	-96	0	0	0	109.9	V2913 I2914 P2916 L2932 D2939 I2956 A2961 A2966 V2967	V2913-Y2937 HydrophobicContact CG1-CD2 3.66Å; V2913-Y2937 HydrophobicContact CG1-CE2 3.51Å; I2914-Y2937 PolarHBondContact O-OH 3.01Å; P2916-Y2937 WeakPolarHBondContact CG-OH 3.49Å; L2932-Y2937 CarbonylContact O-C 3.47Å; L2932-Y2937 WeakPolarHBondContact O-CA 3.42Å; Y2937-D2939 HydrophobicContact CD1-CB 4.39Å; Y2937-D2939 HydrophobicContact CE1-CB 3.84Å; Y2937-I2956 HydrophobicContact CD1-CB 4.05Å; Y2937-I2956 HydrophobicContact CD1-CD1 3.8Å; Y2937-I2956 HydrophobicContact CD1-CG1 4.02Å; Y2937-I2956 HydrophobicContact CE1-CD1 3.99Å; Y2937-I2956 PolarHBondContact N-O 3.19Å; Y2937-I2956 PolarHBondContact O-N 2.93Å; Y2937-A2961 HydrophobicContact CD1-CB 4.4Å; Y2937-A2961 HydrophobicContact CG-CB 4.06Å; Y2937-A2966 HydrophobicContact CD1-CB 4.36Å; Y2937-A2966 HydrophobicContact CD2-CB 4.4Å; Y2937-A2966 HydrophobicContact CE1-CB 3.9Å; Y2937-A2966 HydrophobicContact CE2-CB 3.95Å; Y2937-V2967 HydrophobicContact CD2-CG2 4.13Å
2938	W	89.7	Confident	78.5	Confident	82 Å²	82	88.1 Å²	88.1	31%	0.311	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	119.2	179	-89.1	70.6	0	0	0	111.7	L2932 Y2940 V2954	L2932-W2938 PolarHBondContact O-N 3.06Å; W2938-Y2940 HydrophobicContact CB-CE1 4.29Å; W2938-Y2940 HydrophobicContact CE3-CD1 4.33Å; W2938-Y2940 AromaticContact CE3-CE1 3.85Å; W2938-Y2940 HydrophobicContact CE3-CE1 3.85Å; W2938-V2954 HydrophobicContact CD2-CG1 4.35Å; W2938-V2954 HydrophobicContact CE3-CG1 3.52Å; W2938-V2954 HydrophobicContact CZ3-CG1 3.62Å
2939	D	87.1	Confident	76.7	Confident	14 Å²	14	88.9 Å²	88.9	8%	0.075	44%	0.438	C	S	.	.			trans	-105.7	94	-179.8	-167.3	-34.4	0	0	0	111.2	Y2937 E2941 K2942 V2954 I2956	Y2937-D2939 HydrophobicContact CD1-CB 4.39Å; Y2937-D2939 HydrophobicContact CE1-CB 3.84Å; D2939-E2941 VanDerWaalsContact C-N 3.27Å; D2939-E2941 PolarHBondContact O-N 3.05Å; D2939-E2941 PolarHBondContact OD1-N 2.83Å; D2939-E2941 VanDerWaalsContact OD1-N 3.12Å; D2939-K2942 HydrophobicContact CB-CB 4.48Å; D2939-K2942 HydrophobicContact CB-CD 4.18Å; D2939-K2942 HydrophobicContact CB-CG 4.27Å; D2939-K2942 PolarHBondContact O-N 2.85Å; D2939-K2942 PolarHBondContact OD1-N 3.4Å; D2939-K2942 IonicContact OD2-NZ 3.53Å; D2939-K2942 PolarHBondContact OD2-NZ 3.47Å; D2939-V2954 PolarHBondContact N-O 3.13Å; D2939-I2956 HydrophobicContact CB-CD1 4.13Å; D2939-I2956 HydrophobicContact CB-CG1 4.49Å
2940	Y	83.8	Confident	74.9	Confident	102 Å²	102	86.7 Å²	86.7	40%	0.4	44%	0.441	S	S	.	.	G	3₁₀ helix	trans	-69.1	-19.6	-177.9	-57.6	-54.8	0	0	0	113.9	R2930 L2932 W2938 K2942 L2943	R2930-Y2940 PolarHBondContact O-OH 3.36Å; L2932-Y2940 HydrophobicContact CD2-CD2 3.75Å; L2932-Y2940 HydrophobicContact CD2-CE2 3.41Å; L2932-Y2940 VanDerWaalsContact CD2-CE2 3.41Å; L2932-Y2940 HydrophobicContact CG-CE2 4.21Å; W2938-Y2940 HydrophobicContact CB-CE1 4.29Å; W2938-Y2940 HydrophobicContact CE3-CD1 4.33Å; W2938-Y2940 AromaticContact CE3-CE1 3.85Å; W2938-Y2940 HydrophobicContact CE3-CE1 3.85Å; Y2940-K2942 PolarHBondContact O-N 3.05Å; Y2940-L2943 HydrophobicContact CD1-CD1 3.97Å; Y2940-L2943 WeakPolarHBondContact O-CB 3.2Å; Y2940-L2943 PolarHBondContact O-N 3.27Å
2941	E	81	Confident	73.3	Confident	135 Å²	135	84.6 Å²	84.6	63%	0.631	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-70.2	-24.7	175.2	-69.6	-174.4	98.5	0	0	112.1	P2916 G2917 D2939 L2943	P2916-E2941 HydrophobicContact CB-CG 3.87Å; G2917-E2941 WeakPolarHBondContact CA-OE1 3.38Å; G2917-E2941 WeakPolarHBondContact CA-OE2 3.33Å; G2917-E2941 PolarHBondContact N-OE2 3.04Å; D2939-E2941 VanDerWaalsContact C-N 3.27Å; D2939-E2941 PolarHBondContact O-N 3.05Å; D2939-E2941 PolarHBondContact OD1-N 2.83Å; D2939-E2941 VanDerWaalsContact OD1-N 3.12Å; E2941-L2943 PolarHBondContact O-N 2.94Å
2942	K	74.8	Confident	72	Confident	91 Å²	91	89 Å²	89	40%	0.396	47%	0.468	S	S	.	.	G	3₁₀ helix	trans	-77.8	-5.7	176.8	-67.1	-174.5	174.1	94.4	0	113.7	D2939 Y2940 G2944 Q2947 T2953	D2939-K2942 HydrophobicContact CB-CB 4.48Å; D2939-K2942 HydrophobicContact CB-CD 4.18Å; D2939-K2942 HydrophobicContact CB-CG 4.27Å; D2939-K2942 PolarHBondContact O-N 2.85Å; D2939-K2942 PolarHBondContact OD1-N 3.4Å; D2939-K2942 IonicContact OD2-NZ 3.53Å; D2939-K2942 PolarHBondContact OD2-NZ 3.47Å; Y2940-K2942 PolarHBondContact O-N 3.05Å; K2942-G2944 PolarHBondContact O-N 2.99Å; K2942-G2944 VanDerWaalsContact O-N 3.11Å; K2942-Q2947 PolarHBondContact O-OE1 2.89Å; K2942-T2953 WeakPolarHBondContact CD-O 3.38Å
2943	L	68	Low	70.9	Confident	83 Å²	83	92.4 Å²	92.4	44%	0.435	49%	0.489	S	S	.	.			trans	-77.9	85.1	170.6	-73	164.5	0	0	0	110.3	Y2940 E2941 V2954	Y2940-L2943 HydrophobicContact CD1-CD1 3.97Å; Y2940-L2943 WeakPolarHBondContact O-CB 3.2Å; Y2940-L2943 PolarHBondContact O-N 3.27Å; E2941-L2943 PolarHBondContact O-N 2.94Å; L2943-V2954 HydrophobicContact CD1-CG1 4.26Å; L2943-V2954 HydrophobicContact CD2-CG1 4.15Å; L2943-V2954 HydrophobicContact CD2-CG2 3.6Å; L2943-V2954 HydrophobicContact CG-CG1 3.92Å; L2943-V2954 HydrophobicContact CG-CG2 3.85Å
2944	G	62.2	Low	70.3	Confident	24 Å²	24	92.6 Å²	92.6	25%	0.247	49%	0.49	C	S	.	.			trans	-60.2	142.6	173.7	0	0	0	0	0	111.3	K2942 R2946 Q2947	K2942-G2944 PolarHBondContact O-N 2.99Å; K2942-G2944 VanDerWaalsContact O-N 3.11Å; G2944-R2946 PolarHBondContact O-N 3.13Å; G2944-Q2947 PolarHBondContact O-N 3.23Å
2945	P	60.3	Low	70.5	Confident	141 Å²	141	87.1 Å²	87.1	92%	0.916	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	20.3	-168.1	28.6	-37.6	0	0	0	116
2946	R	51.6	Low	70.8	Confident	248 Å²	248	81.8 Å²	81.8	94%	0.936	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-143.9	6.5	173.5	-67.7	-170.4	173.3	-128.3	-3.1	113.5	G2944	G2944-R2946 PolarHBondContact O-N 3.13Å
2947	Q	51.3	Low	70.8	Confident	94 Å²	94	82.9 Å²	82.9	44%	0.439	45%	0.45	S	S	.	.			trans	-88	127.7	-175.4	-73.7	169.1	-14.9	0	0	110.8	K2942 G2944 D2951	K2942-Q2947 PolarHBondContact O-OE1 2.89Å; G2944-Q2947 PolarHBondContact O-N 3.23Å; Q2947-D2951 WeakPolarHBondContact CG-OD2 3.23Å
2948	S	49.5	Very low	70.8	Confident	87 Å²	87	83.1 Å²	83.1	61%	0.608	45%	0.452	S	S	*	.			trans	-73.7	159.9	172.6	49.8	0	0	0	0	110.6	V2950	S2948-V2950 PolarHBondContact O-N 3.31Å
2949	S	53.5	Low	70.9	Confident	129 Å²	129	79.3 Å²	79.3	90%	0.902	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	33	-171.4	54	0	0	0	0	116.1
2950	V	54.1	Low	71	Confident	113 Å²	113	82.3 Å²	82.3	69%	0.685	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118	-21.2	-176.4	-173.4	0	0	0	0	111.8	S2948 S2952	S2948-V2950 PolarHBondContact O-N 3.31Å; V2950-S2952 PolarHBondContact O-N 3.24Å; V2950-S2952 PolarHBondContact O-OG 3.29Å
2951	D	56.3	Low	71.4	Confident	76 Å²	76	77.5 Å²	77.5	41%	0.406	44%	0.435	S	S	.	.			trans	-66.3	106	179.2	-80.8	-37	0	0	0	111.3	Q2947 T2953	Q2947-D2951 WeakPolarHBondContact CG-OD2 3.23Å; D2951-T2953 PolarHBondContact O-N 3.06Å
2952	S	60.9	Low	71.9	Confident	100 Å²	100	72 Å²	72	70%	0.699	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	10.4	-175.8	-37.9	0	0	0	0	114.3	V2950	V2950-S2952 PolarHBondContact O-N 3.24Å; V2950-S2952 PolarHBondContact O-OG 3.29Å
2953	T	67.4	Low	72.7	Confident	75 Å²	75	71.8 Å²	71.8	46%	0.46	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-22.8	178.1	48.4	0	0	0	0	113.2	K2942 D2951	K2942-T2953 WeakPolarHBondContact CD-O 3.38Å; D2951-T2953 PolarHBondContact O-N 3.06Å
2954	V	79.7	Confident	73.7	Confident	9 Å²	9	71.1 Å²	71.1	6%	0.055	42%	0.416	C	S	.	.	S	Bend	trans	-77.8	-35.6	-176.7	-176.2	0	0	0	0	111.4	W2938 D2939 L2943	W2938-V2954 HydrophobicContact CD2-CG1 4.35Å; W2938-V2954 HydrophobicContact CE3-CG1 3.52Å; W2938-V2954 HydrophobicContact CZ3-CG1 3.62Å; D2939-V2954 PolarHBondContact N-O 3.13Å; L2943-V2954 HydrophobicContact CD1-CG1 4.26Å; L2943-V2954 HydrophobicContact CD2-CG1 4.15Å; L2943-V2954 HydrophobicContact CD2-CG2 3.6Å; L2943-V2954 HydrophobicContact CG-CG1 3.92Å; L2943-V2954 HydrophobicContact CG-CG2 3.85Å
2955	S	86.6	Confident	75	Confident	42 Å²	42	77.2 Å²	77.2	29%	0.294	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	106.1	178.2	54.5	0	0	0	0	111
2956	I	88.2	Confident	76.4	Confident	23 Å²	23	71 Å²	71	12%	0.118	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	127.5	179.9	-49.3	-173.5	0	0	0	109.3	V2936 Y2937 D2939 D2960 A2961	V2936-I2956 WeakPolarHBondContact CB-O 3.49Å; Y2937-I2956 HydrophobicContact CD1-CB 4.05Å; Y2937-I2956 HydrophobicContact CD1-CD1 3.8Å; Y2937-I2956 HydrophobicContact CD1-CG1 4.02Å; Y2937-I2956 HydrophobicContact CE1-CD1 3.99Å; Y2937-I2956 PolarHBondContact N-O 3.19Å; Y2937-I2956 PolarHBondContact O-N 2.93Å; D2939-I2956 HydrophobicContact CB-CD1 4.13Å; D2939-I2956 HydrophobicContact CB-CG1 4.49Å; I2956-D2960 HydrophobicContact CG2-CB 3.7Å; I2956-A2961 HydrophobicContact CG2-CB 4.14Å
2957	P	90.5	Very high	78.4	Confident	64 Å²	64	59.3 Å²	59.3	42%	0.416	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	145.4	172.2	-25.6	35.3	0	0	0	111.9	A2959 D2960 A2961	P2957-A2959 VanDerWaalsContact C-N 3.3Å; P2957-A2959 PolarHBondContact O-N 3.01Å; P2957-D2960 HydrophobicContact CB-CB 4.46Å; P2957-D2960 WeakPolarHBondContact CG-OD2 3.45Å; P2957-D2960 PolarHBondContact O-N 3.42Å; P2957-A2961 PolarHBondContact O-N 3.36Å
2958	L	91.1	Very high	80.2	Confident	14 Å²	14	61 Å²	61	7%	0.073	36%	0.355	C	S	.	.	H	α-helix	trans	-60.3	-38	-171.3	-174.9	59.8	0	0	0	113.2	T2847 L2849 I2910 L2933 A2961 V2962 V2967	T2847-L2958 HydrophobicContact CG2-CD2 3.77Å; T2847-L2958 WeakPolarHBondContact OG1-CD2 3.42Å; L2849-L2958 HydrophobicContact CD2-CB 4.49Å; L2849-L2958 HydrophobicContact CD2-CD2 4.34Å; I2910-L2958 HydrophobicContact CD1-CD1 4.2Å; I2910-L2958 HydrophobicContact CD1-CD2 4.14Å; L2933-L2958 HydrophobicContact CD1-CD1 4.06Å; L2958-A2961 WeakPolarHBondContact O-CB 3.38Å; L2958-A2961 PolarHBondContact O-N 3.24Å; L2958-V2962 WeakPolarHBondContact O-CG2 3.29Å; L2958-V2962 PolarHBondContact O-N 2.92Å; L2958-V2967 HydrophobicContact CD1-CB 4.41Å; L2958-V2967 HydrophobicContact CD1-CG1 4.09Å; L2958-V2967 HydrophobicContact CD1-CG2 4.08Å
2959	A	90.6	Very high	82.2	Confident	2 Å²	2	58.2 Å²	58.2	2%	0.017	33%	0.333	C	S	.	.	H	α-helix	trans	-61.5	-45.1	174.5	0	0	0	0	0	112.3	E2853 I2857 P2957 A2961 V2962 I2963	E2853-A2959 HydrophobicContact CB-CB 4.45Å; E2853-A2959 HydrophobicContact CG-CB 4.4Å; I2857-A2959 HydrophobicContact CD1-CB 4.27Å; I2857-A2959 HydrophobicContact CG1-CB 4.3Å; P2957-A2959 VanDerWaalsContact C-N 3.3Å; P2957-A2959 PolarHBondContact O-N 3.01Å; A2959-A2961 VanDerWaalsContact C-N 3.3Å; A2959-A2961 PolarHBondContact O-N 2.9Å; A2959-V2962 PolarHBondContact O-N 2.86Å; A2959-I2963 VanDerWaalsContact O-CG1 3.28Å; A2959-I2963 WeakPolarHBondContact O-CG1 3.41Å; A2959-I2963 PolarHBondContact O-N 3.12Å
2960	D	90.3	Very high	83.8	Confident	77 Å²	77	52.9 Å²	52.9	41%	0.412	30%	0.297	S	S	.	.	H	α-helix	trans	-67.2	-31.8	177	-63.1	-24.8	0	0	0	111.9	I2956 P2957 I2963 S2964	I2956-D2960 HydrophobicContact CG2-CB 3.7Å; P2957-D2960 HydrophobicContact CB-CB 4.46Å; P2957-D2960 WeakPolarHBondContact CG-OD2 3.45Å; P2957-D2960 PolarHBondContact O-N 3.42Å; D2960-I2963 PolarHBondContact O-N 2.88Å; D2960-S2964 WeakPolarHBondContact O-CB 3.3Å; D2960-S2964 PolarHBondContact O-N 3.43Å; D2960-S2964 PolarHBondContact O-OG 2.86Å
2961	A	92	Very high	85.1	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-69.8	-32.8	175	0	0	0	0	0	112.7	Y2937 I2956 P2957 L2958 A2959 S2964 K2965 A2966 V2967	Y2937-A2961 HydrophobicContact CD1-CB 4.4Å; Y2937-A2961 HydrophobicContact CG-CB 4.06Å; I2956-A2961 HydrophobicContact CG2-CB 4.14Å; P2957-A2961 PolarHBondContact O-N 3.36Å; L2958-A2961 WeakPolarHBondContact O-CB 3.38Å; L2958-A2961 PolarHBondContact O-N 3.24Å; A2959-A2961 VanDerWaalsContact C-N 3.3Å; A2959-A2961 PolarHBondContact O-N 2.9Å; A2961-S2964 WeakPolarHBondContact CA-OG 3.21Å; A2961-S2964 PolarHBondContact O-OG 2.81Å; A2961-K2965 PolarHBondContact O-N 3.47Å; A2961-A2966 WeakPolarHBondContact O-CB 3.45Å; A2961-A2966 PolarHBondContact O-N 3.21Å; A2961-V2967 HydrophobicContact CB-CB 4.45Å; A2961-V2967 HydrophobicContact CB-CG2 3.78Å; A2961-V2967 PolarHBondContact O-N 2.61Å
2962	V	92	Very high	85.8	Confident	19 Å²	19	49.5 Å²	49.5	12%	0.115	28%	0.279	C	S	.	.	H	α-helix	trans	-74.5	-43.4	170.7	178.4	0	0	0	0	110.9	I2857 L2958 A2959 S2964 K2965 V2967 L2969	I2857-V2962 HydrophobicContact CD1-CB 4.19Å; I2857-V2962 HydrophobicContact CD1-CG1 4.32Å; I2857-V2962 HydrophobicContact CD1-CG2 4.46Å; I2857-V2962 HydrophobicContact CG1-CB 4.32Å; I2857-V2962 HydrophobicContact CG1-CG1 4.34Å; I2857-V2962 HydrophobicContact CG2-CB 4.43Å; I2857-V2962 HydrophobicContact CG2-CG1 3.57Å; L2958-V2962 WeakPolarHBondContact O-CG2 3.29Å; L2958-V2962 PolarHBondContact O-N 2.92Å; A2959-V2962 PolarHBondContact O-N 2.86Å; V2962-S2964 VanDerWaalsContact C-N 3.29Å; V2962-S2964 PolarHBondContact O-N 2.83Å; V2962-K2965 WeakPolarHBondContact O-CA 3.05Å; V2962-K2965 PolarHBondContact O-N 2.81Å; V2962-V2967 HydrophobicContact CG2-CB 3.89Å; V2962-V2967 HydrophobicContact CG2-CG1 3.98Å; V2962-L2969 HydrophobicContact CG1-CD1 3.83Å; V2962-L2969 HydrophobicContact CG1-CG 3.99Å; V2962-L2969 HydrophobicContact CG2-CD1 4.09Å; V2962-L2969 HydrophobicContact CG2-CD2 4.07Å; V2962-L2969 HydrophobicContact CG2-CG 3.92Å
2963	I	90.9	Very high	85.8	Confident	88 Å²	88	56.3 Å²	56.3	45%	0.451	29%	0.289	S	S	.	.	H	α-helix	trans	-61.4	-37.3	178	-69.4	163.9	0	0	0	111.5	R2856 I2857 A2959 D2960 K2965	R2856-I2963 HydrophobicContact CB-CD1 4.42Å; I2857-I2963 HydrophobicContact CG1-CG1 4.29Å; A2959-I2963 VanDerWaalsContact O-CG1 3.28Å; A2959-I2963 WeakPolarHBondContact O-CG1 3.41Å; A2959-I2963 PolarHBondContact O-N 3.12Å; D2960-I2963 PolarHBondContact O-N 2.88Å; I2963-K2965 PolarHBondContact O-N 3.24Å
2964	S	88.7	Confident	85.3	Confident	69 Å²	69	59.3 Å²	59.3	48%	0.483	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	1.5	172.6	55.9	0	0	0	0	114.5	D2960 A2961 V2962 A2966	D2960-S2964 WeakPolarHBondContact O-CB 3.3Å; D2960-S2964 PolarHBondContact O-N 3.43Å; D2960-S2964 PolarHBondContact O-OG 2.86Å; A2961-S2964 WeakPolarHBondContact CA-OG 3.21Å; A2961-S2964 PolarHBondContact O-OG 2.81Å; V2962-S2964 VanDerWaalsContact C-N 3.29Å; V2962-S2964 PolarHBondContact O-N 2.83Å; S2964-A2966 PolarHBondContact O-N 3.2Å
2965	K	89.3	Confident	83.9	Confident	151 Å²	151	60.8 Å²	60.8	66%	0.657	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	9.7	-177.9	-52.2	-176	179.9	-176.1	0	115.7	I2914 A2961 V2962 I2963 V2967	I2914-K2965 VanDerWaalsContact CD1-O 3.23Å; I2914-K2965 WeakPolarHBondContact CD1-O 3.44Å; A2961-K2965 PolarHBondContact O-N 3.47Å; V2962-K2965 WeakPolarHBondContact O-CA 3.05Å; V2962-K2965 PolarHBondContact O-N 2.81Å; I2963-K2965 PolarHBondContact O-N 3.24Å; K2965-V2967 VanDerWaalsContact C-N 3.28Å; K2965-V2967 PolarHBondContact O-N 3.48Å
2966	A	90.4	Very high	82	Confident	11 Å²	11	65.8 Å²	65.8	9%	0.091	34%	0.341	C	S	.	.	S	Bend	trans	-67.2	-29.3	174.4	0	0	0	0	0	112.3	V2913 I2914 Y2937 A2961 S2964	V2913-A2966 CarbonylContact C-O 3.36Å; V2913-A2966 WeakPolarHBondContact CA-O 3.47Å; I2914-A2966 PolarHBondContact N-O 2.87Å; Y2937-A2966 HydrophobicContact CD1-CB 4.36Å; Y2937-A2966 HydrophobicContact CD2-CB 4.4Å; Y2937-A2966 HydrophobicContact CE1-CB 3.9Å; Y2937-A2966 HydrophobicContact CE2-CB 3.95Å; A2961-A2966 WeakPolarHBondContact O-CB 3.45Å; A2961-A2966 PolarHBondContact O-N 3.21Å; S2964-A2966 PolarHBondContact O-N 3.2Å
2967	V	92.1	Very high	80.3	Confident	3 Å²	3	70.4 Å²	70.4	2%	0.018	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	131.5	174.5	178.4	0	0	0	0	110.2	I2910 V2913 Y2937 L2958 A2961 V2962 K2965	I2910-V2967 HydrophobicContact CD1-CG1 4.37Å; I2910-V2967 HydrophobicContact CG1-CG1 4.24Å; I2910-V2967 HydrophobicContact CG2-CG1 3.65Å; V2913-V2967 HydrophobicContact CG1-CG2 4.3Å; V2913-V2967 HydrophobicContact CG2-CG1 4.49Å; V2913-V2967 HydrophobicContact CG2-CG2 4.27Å; Y2937-V2967 HydrophobicContact CD2-CG2 4.13Å; L2958-V2967 HydrophobicContact CD1-CB 4.41Å; L2958-V2967 HydrophobicContact CD1-CG1 4.09Å; L2958-V2967 HydrophobicContact CD1-CG2 4.08Å; A2961-V2967 HydrophobicContact CB-CB 4.45Å; A2961-V2967 HydrophobicContact CB-CG2 3.78Å; A2961-V2967 PolarHBondContact O-N 2.61Å; V2962-V2967 HydrophobicContact CG2-CB 3.89Å; V2962-V2967 HydrophobicContact CG2-CG1 3.98Å; K2965-V2967 VanDerWaalsContact C-N 3.28Å; K2965-V2967 PolarHBondContact O-N 3.48Å
2968	R	90.4	Very high	78.5	Confident	129 Å²	129	73.7 Å²	73.7	49%	0.487	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	127.2	176.1	-65.7	-175.3	172.8	-154.8	-3.5	110.8	I2910 T2911 G2912 I2921	I2910-R2968 WeakPolarHBondContact CA-O 3.46Å; T2911-R2968 PolarHBondContact N-O 3.21Å; T2911-R2968 PolarHBondContact OG1-O 2.92Å; G2912-R2968 PolarHBondContact O-N 2.8Å; I2921-R2968 VanDerWaalsContact CD1-CZ 3.5Å; I2921-R2968 VanDerWaalsContact CD1-NH2 3.32Å
2969	L	90.6	Very high	76.8	Confident	28 Å²	28	78 Å²	78	15%	0.147	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	163.7	171.7	-60.3	-177.8	0	0	0	111.3	I2857 L2908 K2909 I2910 V2962 L2982	I2857-L2969 HydrophobicContact CD1-CD1 4.43Å; I2857-L2969 HydrophobicContact CG2-CD1 4.42Å; L2908-L2969 HydrophobicContact CD2-CD1 3.88Å; K2909-L2969 CarbonylContact O-C 3.55Å; K2909-L2969 WeakPolarHBondContact O-CA 3.48Å; I2910-L2969 HydrophobicContact CG1-CD2 3.93Å; V2962-L2969 HydrophobicContact CG1-CD1 3.83Å; V2962-L2969 HydrophobicContact CG1-CG 3.99Å; V2962-L2969 HydrophobicContact CG2-CD1 4.09Å; V2962-L2969 HydrophobicContact CG2-CD2 4.07Å; V2962-L2969 HydrophobicContact CG2-CG 3.92Å; L2969-L2982 HydrophobicContact CB-CD2 4.37Å; L2969-L2982 HydrophobicContact CD1-CD1 4.37Å; L2969-L2982 HydrophobicContact CD1-CD2 4.09Å
2970	A	87.1	Confident	75.2	Confident	18 Å²	18	82 Å²	82	15%	0.149	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-73	129.9	163.3	0	0	0	0	0	110.5	K2909 T2911 D2983	K2909-A2970 HydrophobicContact CB-CB 3.91Å; K2909-A2970 PolarHBondContact O-N 3.01Å; T2911-A2970 HydrophobicContact CG2-CB 4.04Å; A2970-D2983 HydrophobicContact CB-CB 3.98Å; A2970-D2983 PolarHBondContact O-N 3.4Å; A2970-D2983 VanDerWaalsContact O-N 3.13Å
2971	S	81.7	Confident	74.5	Confident	55 Å²	55	79.8 Å²	79.8	39%	0.385	42%	0.417	S	S	.	.	B	Isolated β-bridge	trans	-90.9	144.6	162.6	-175.4	0	0	0	0	108.3	P2980 S2981	S2971-P2980 WeakPolarHBondContact OG-CB 3.34Å; S2971-S2981 WeakPolarHBondContact CA-O 3.5Å; S2971-S2981 PolarHBondContact OG-O 2.98Å
2972	D	71.2	Confident	74.1	Confident	62 Å²	62	81.1 Å²	81.1	33%	0.332	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-61.5	145.6	159.3	-168.8	-1.4	0	0	0	108.6	I2974 S2981	D2972-I2974 WeakPolarHBondContact OD1-CB 3.1Å; D2972-I2974 WeakPolarHBondContact OD1-CG1 3.34Å; D2972-I2974 PolarHBondContact OD1-N 2.89Å; D2972-S2981 PolarHBondContact N-O 2.82Å
2973	R	60.4	Low	73.7	Confident	243 Å²	243	82.7 Å²	82.7	92%	0.917	43%	0.432	S	S	*	.	S	Bend	trans	-103.9	-5.8	176.5	-64	-175.3	176.6	-165.9	-2.4	112.4
2974	I	57.3	Low	73.5	Confident	139 Å²	139	79.6 Å²	79.6	71%	0.713	42%	0.42	S	S	*	.			trans	-89.2	-24.7	-174.5	-58.9	171.5	0	0	0	111.6	D2972 T2976	D2972-I2974 WeakPolarHBondContact OD1-CB 3.1Å; D2972-I2974 WeakPolarHBondContact OD1-CG1 3.34Å; D2972-I2974 PolarHBondContact OD1-N 2.89Å; I2974-T2976 PolarHBondContact O-N 3.48Å
2975	S	51.2	Low	73.4	Confident	40 Å²	40	81.6 Å²	81.6	28%	0.28	42%	0.419	S	S	.	.			trans	-68.5	106.1	-180	63.1	0	0	0	0	112.3	E2977 S2981	S2975-E2977 PolarHBondContact O-N 3.25Å; S2975-S2981 WeakPolarHBondContact CB-OG 3.35Å; S2975-S2981 PolarHBondContact OG-OG 3.26Å
2976	T	47	Very low	73.2	Confident	147 Å²	147	76.5 Å²	76.5	90%	0.902	40%	0.399	S	S	*	.			trans	-76.4	6.3	169.3	55	0	0	0	0	113.5	I2974	I2974-T2976 PolarHBondContact O-N 3.48Å
2977	E	50.5	Low	73.1	Confident	120 Å²	120	77.7 Å²	77.7	56%	0.561	41%	0.405	S	S	*	.	S	Bend	trans	-72.4	149.7	170.3	-61.6	-165.1	158.2	0	0	110.4	K2862 S2975 Q2979	K2862-E2977 IonicContact NZ-OE1 2.66Å; K2862-E2977 PolarHBondContact NZ-OE1 2.91Å; K2862-E2977 IonicContact NZ-OE2 3.62Å; K2862-E2977 PolarHBondContact NZ-OE2 2.86Å; S2975-E2977 PolarHBondContact O-N 3.25Å; E2977-Q2979 PolarHBondContact O-N 3.26Å
2978	T	53.5	Low	72.8	Confident	132 Å²	132	80.6 Å²	80.6	81%	0.81	42%	0.416	S	S	*	.	S	Bend	trans	-70.5	14.4	-172.5	-29.3	0	0	0	0	114.8
2979	Q	55.4	Low	72.5	Confident	106 Å²	106	79.3 Å²	79.3	50%	0.495	41%	0.411	S	S	.	.	S	Bend	trans	-139	138.7	178.3	-68.5	-66.8	-83.2	0	0	109.8	E2977 S2981	E2977-Q2979 PolarHBondContact O-N 3.26Å; Q2979-S2981 PolarHBondContact O-N 3.12Å
2980	P	57.1	Low	71.7	Confident	84 Å²	84	80.1 Å²	80.1	55%	0.545	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-68.8	121.3	178.3	27.9	-33.2	0	0	0	110.7	N2858 S2971	N2858-P2980 PolarHBondContact ND2-O 2.71Å; S2971-P2980 WeakPolarHBondContact OG-CB 3.34Å
2981	S	75	Confident	71.2	Confident	32 Å²	32	84.2 Å²	84.2	22%	0.224	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-84.2	138.2	169.6	56.2	0	0	0	0	110.1	S2971 D2972 S2975 Q2979	S2971-S2981 WeakPolarHBondContact CA-O 3.5Å; S2971-S2981 PolarHBondContact OG-O 2.98Å; D2972-S2981 PolarHBondContact N-O 2.82Å; S2975-S2981 WeakPolarHBondContact CB-OG 3.35Å; S2975-S2981 PolarHBondContact OG-OG 3.26Å; Q2979-S2981 PolarHBondContact O-N 3.12Å
2982	L	83.6	Confident	70.8	Confident	28 Å²	28	84.6 Å²	84.6	15%	0.147	44%	0.438	C	S	.	.	B	Isolated β-bridge	trans	-74.2	139.3	177.4	-61.6	173	0	0	0	110	V2854 I2857 N2858 Q2861 L2908 L2969 A2984	V2854-L2982 HydrophobicContact CG1-CD1 4.13Å; I2857-L2982 HydrophobicContact CB-CD1 4.41Å; I2857-L2982 HydrophobicContact CG2-CD1 3.86Å; N2858-L2982 HydrophobicContact CB-CD1 3.84Å; N2858-L2982 HydrophobicContact CB-CG 4.21Å; Q2861-L2982 PolarHBondContact NE2-O 3.35Å; L2908-L2982 HydrophobicContact CD2-CB 4.43Å; L2908-L2982 HydrophobicContact CD2-CD1 4.15Å; L2969-L2982 HydrophobicContact CB-CD2 4.37Å; L2969-L2982 HydrophobicContact CD1-CD1 4.37Å; L2969-L2982 HydrophobicContact CD1-CD2 4.09Å; L2982-A2984 HydrophobicContact CB-CB 4.19Å; L2982-A2984 PolarHBondContact O-N 3.02Å
2983	D	85.2	Confident	71.2	Confident	51 Å²	51	84.1 Å²	84.1	27%	0.273	44%	0.435	S	S	.	.			trans	-72.2	80.4	167.9	177	4.4	0	0	0	108.6	K2909 A2970	K2909-D2983 WeakPolarHBondContact CD-OD2 3.26Å; K2909-D2983 IonicContact NZ-OD1 2.66Å; K2909-D2983 PolarHBondContact NZ-OD1 2.99Å; K2909-D2983 IonicContact NZ-OD2 3.21Å; K2909-D2983 PolarHBondContact NZ-OD2 2.84Å; A2970-D2983 HydrophobicContact CB-CB 3.98Å; A2970-D2983 PolarHBondContact O-N 3.4Å; A2970-D2983 VanDerWaalsContact O-N 3.13Å
2984	A	85.6	Confident	72	Confident	24 Å²	24	73.7 Å²	73.7	20%	0.198	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	110.1	-171.5	0	0	0	0	0	110.3	V2854 L2906 E2907 L2908 L2982	V2854-A2984 HydrophobicContact CG1-CB 4.44Å; L2906-A2984 HydrophobicContact CD2-CB 3.88Å; E2907-A2984 WeakPolarHBondContact O-CA 3.43Å; L2908-A2984 HydrophobicContact CD2-CB 3.83Å; L2908-A2984 HydrophobicContact CG-CB 3.81Å; L2982-A2984 HydrophobicContact CB-CB 4.19Å; L2982-A2984 PolarHBondContact O-N 3.02Å
2985	K	86.3	Confident	73.4	Confident	110 Å²	110	70 Å²	70	48%	0.478	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	125.7	-174.4	177.1	-167.3	169.8	-163.4	0	110.6	L2906 E2907 V2987	L2906-K2985 CarbonylContact C-O 3.57Å; L2906-K2985 VanDerWaalsContact CA-O 3.26Å; L2906-K2985 WeakPolarHBondContact CA-O 3.5Å; E2907-K2985 PolarHBondContact N-O 3.13Å; E2907-K2985 PolarHBondContact O-N 3.22Å; K2985-V2987 HydrophobicContact CD-CG1 4.34Å; K2985-V2987 HydrophobicContact CG-CG1 4.44Å; K2985-V2987 PolarHBondContact O-N 3.27Å
2986	I	86.7	Confident	74.9	Confident	44 Å²	44	68.5 Å²	68.5	23%	0.226	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	126.6	172.4	-55.7	170.1	0	0	0	109.4	I2863 D2865 K2904 L2906 R2989	I2863-I2986 HydrophobicContact CG2-CD1 3.91Å; I2863-I2986 HydrophobicContact CG2-CG1 4.23Å; D2865-I2986 HydrophobicContact CB-CD1 3.84Å; D2865-I2986 VanDerWaalsContact OD2-CD1 3.31Å; D2865-I2986 WeakPolarHBondContact OD2-CD1 3.4Å; K2904-I2986 HydrophobicContact CD-CD1 4.25Å; L2906-I2986 HydrophobicContact CD2-CG1 4.3Å; L2906-I2986 HydrophobicContact CG-CG1 4.2Å; I2986-R2989 HydrophobicContact CG2-CG 4.38Å
2987	V	88.2	Confident	77	Confident	36 Å²	36	63.7 Å²	63.7	22%	0.218	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	-19	-178.8	-71.2	0	0	0	0	114.2	Y2848 L2905 E2907 K2985	Y2848-V2987 HydrophobicContact CD1-CG2 3.84Å; Y2848-V2987 HydrophobicContact CE1-CG2 3.87Å; L2905-V2987 HydrophobicContact CB-CG2 4.41Å; L2905-V2987 HydrophobicContact CD2-CG2 4.42Å; L2905-V2987 HydrophobicContact CG-CG2 4.46Å; L2905-V2987 WeakPolarHBondContact O-CG2 3.42Å; L2905-V2987 PolarHBondContact O-N 3.49Å; E2907-V2987 HydrophobicContact CB-CG1 3.65Å; E2907-V2987 HydrophobicContact CB-CG2 4.25Å; K2985-V2987 HydrophobicContact CD-CG1 4.34Å; K2985-V2987 HydrophobicContact CG-CG1 4.44Å; K2985-V2987 PolarHBondContact O-N 3.27Å
2988	W	84.8	Confident	78.8	Confident	64 Å²	64	60 Å²	60	24%	0.242	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	153	176.6	-171.8	-94.1	0	0	0	110.4	P2819 Q2822 L2823 L2905	P2819-W2988 HydrophobicContact CG-CH2 4.11Å; P2819-W2988 HydrophobicContact CG-CZ2 4.23Å; P2819-W2988 WeakPolarHBondContact O-CH2 3.33Å; Q2822-W2988 HydrophobicContact CB-CZ3 4.37Å; L2823-W2988 HydrophobicContact CD2-CD2 4.49Å; L2823-W2988 HydrophobicContact CD2-CE3 3.59Å; L2823-W2988 HydrophobicContact CD2-CZ3 3.97Å; L2823-W2988 HydrophobicContact CG-CE3 4Å; L2823-W2988 HydrophobicContact CG-CZ3 3.85Å; L2905-W2988 HydrophobicContact CB-CB 3.86Å; L2905-W2988 HydrophobicContact CD2-CB 4.39Å; L2905-W2988 PolarHBondContact N-O 3.44Å; L2905-W2988 PolarHBondContact O-N 3.03Å
2989	R	84.2	Confident	80.6	Confident	103 Å²	103	54.3 Å²	54.3	39%	0.389	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	134.3	170.9	-50.3	-167.2	-165.8	110.7	-1.5	109	D2865 E2867 G2903 K2904 I2986	D2865-R2989 IonicContact OD1-CZ 3.47Å; D2865-R2989 IonicContact OD1-NH2 3.68Å; D2865-R2989 PolarHBondContact OD1-NH2 3.48Å; D2865-R2989 IonicContact OD2-CZ 3.89Å; D2865-R2989 IonicContact OD2-NE 2.7Å; D2865-R2989 PolarHBondContact OD2-NE 3.22Å; D2865-R2989 IonicContact OD2-NH2 2.73Å; D2865-R2989 PolarHBondContact OD2-NH2 2.8Å; E2867-R2989 VanDerWaalsContact CD-CD 3.44Å; E2867-R2989 WeakPolarHBondContact OE1-CD 3.26Å; E2867-R2989 IonicContact OE1-CZ 3.83Å; E2867-R2989 IonicContact OE1-NE 2.73Å; E2867-R2989 PolarHBondContact OE1-NE 2.78Å; E2867-R2989 IonicContact OE1-NH1 2.64Å; E2867-R2989 PolarHBondContact OE1-NH1 3.18Å; E2867-R2989 WeakPolarHBondContact OE2-CD 3.35Å; E2867-R2989 IonicContact OE2-NE 3.89Å; G2903-R2989 CarbonylContact O-C 3.58Å; G2903-R2989 WeakPolarHBondContact O-CA 3.45Å; K2904-R2989 HydrophobicContact CG-CG 4.38Å; I2986-R2989 HydrophobicContact CG2-CG 4.38Å
2990	T	74.5	Confident	82.3	Confident	44 Å²	44	49.7 Å²	49.7	27%	0.27	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	137.6	-177.7	57	0	0	0	0	111	G2903 E2992	G2903-T2990 WeakPolarHBondContact CA-OG1 3.27Å; G2903-T2990 PolarHBondContact N-OG1 3.14Å; G2903-T2990 PolarHBondContact O-N 2.83Å; G2903-T2990 PolarHBondContact O-OG1 3Å; T2990-E2992 PolarHBondContact O-N 2.88Å; T2990-E2992 PolarHBondContact OG1-O 2.68Å
2991	P	76	Confident	83.8	Confident	105 Å²	105	50.9 Å²	50.9	68%	0.682	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.9	-15.9	168.2	31.6	-35.7	0	0	0	111.9
2992	E	73.1	Confident	84.3	Confident	63 Å²	63	49.8 Å²	49.8	29%	0.294	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	123.7	165.4	-175.8	173	-92.6	0	0	109.5	T2990 S3087	T2990-E2992 PolarHBondContact O-N 2.88Å; T2990-E2992 PolarHBondContact OG1-O 2.68Å; E2992-S3087 VanDerWaalsContact CD-OG 3.29Å; E2992-S3087 WeakPolarHBondContact OE2-CB 3.15Å; E2992-S3087 PolarHBondContact OE2-OG 2.95Å
2993	I	79.7	Confident	84.5	Confident	51 Å²	51	48.5 Å²	48.5	26%	0.262	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	132.2	177.5	-61.9	174.9	0	0	0	108.2	D2900 S2901 Y3088	D2900-I2993 HydrophobicContact CB-CG2 3.84Å; S2901-I2993 WeakPolarHBondContact O-CA 3.32Å; S2901-I2993 WeakPolarHBondContact O-CG2 3.4Å; I2993-Y3088 HydrophobicContact CB-CD1 3.69Å; I2993-Y3088 HydrophobicContact CB-CE1 3.52Å; I2993-Y3088 HydrophobicContact CD1-CE1 4.06Å; I2993-Y3088 HydrophobicContact CG1-CE1 4.33Å; I2993-Y3088 HydrophobicContact CG2-CD1 3.78Å; I2993-Y3088 HydrophobicContact CG2-CE1 3.61Å; I2993-Y3088 WeakPolarHBondContact O-CD1 3.44Å; I2993-Y3088 PolarHBondContact O-N 3.23Å
2994	Q	77.8	Confident	84.6	Confident	24 Å²	24	50.4 Å²	50.4	11%	0.112	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	129.7	179.5	-62.7	167.6	-4.4	0	0	109	D2900 S2901 E3085	D2900-Q2994 WeakPolarHBondContact CA-O 3.4Å; S2901-Q2994 PolarHBondContact N-O 3.13Å; S2901-Q2994 PolarHBondContact O-N 3.4Å; Q2994-E3085 HydrophobicContact CB-CB 4.19Å; Q2994-E3085 HydrophobicContact CB-CG 4.24Å; Q2994-E3085 PolarHBondContact OE1-OE2 2.58Å
2995	R	85.1	Confident	83.9	Confident	62 Å²	62	51.3 Å²	51.3	23%	0.234	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	122	176.3	176.4	167	-70.1	159.5	3.1	110.8	D2900 E3085 S3086	D2900-R2995 WeakPolarHBondContact OD1-CB 3.41Å; D2900-R2995 VanDerWaalsContact OD1-CG 3.3Å; D2900-R2995 WeakPolarHBondContact OD1-CG 3.17Å; D2900-R2995 IonicContact OD1-CZ 3.26Å; D2900-R2995 IonicContact OD1-NE 2.96Å; D2900-R2995 PolarHBondContact OD1-NE 3.12Å; D2900-R2995 IonicContact OD1-NH2 2.71Å; D2900-R2995 PolarHBondContact OD1-NH2 3.32Å; D2900-R2995 IonicContact OD2-CZ 3.47Å; D2900-R2995 IonicContact OD2-NE 2.72Å; D2900-R2995 IonicContact OD2-NH2 2.68Å; D2900-R2995 PolarHBondContact OD2-NH2 2.99Å; R2995-E3085 VanDerWaalsContact O-CA 3.28Å; R2995-E3085 WeakPolarHBondContact O-CA 3.28Å; R2995-E3085 PolarHBondContact O-N 3.43Å; R2995-S3086 PolarHBondContact N-O 2.95Å; R2995-S3086 PolarHBondContact O-N 2.96Å
2996	S	84.6	Confident	83	Confident	9 Å²	9	48.2 Å²	48.2	6%	0.063	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	125.7	171.4	-79.9	0	0	0	0	110.6	V2899 E3085	V2899-S2996 PolarHBondContact N-O 2.9Å; V2899-S2996 PolarHBondContact O-N 2.73Å; S2996-E3085 WeakPolarHBondContact OG-CG 3.47Å; S2996-E3085 PolarHBondContact OG-N 3.15Å
2997	R	89.6	Confident	81.5	Confident	45 Å²	45	50 Å²	50	17%	0.17	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	122.7	179.4	-174.9	-173.7	-57.5	113.7	21.6	111	E2896 W2898 I3082 E3083	E2896-R2997 WeakPolarHBondContact OE2-CD 3.49Å; E2896-R2997 IonicContact OE2-NE 3.49Å; W2898-R2997 HydrophobicContact CG-CG 4.38Å; R2997-I3082 HydrophobicContact CG-CD1 4.12Å; R2997-I3082 PolarHBondContact O-N 2.98Å; R2997-E3083 HydrophobicContact CB-CB 4Å; R2997-E3083 IonicContact CZ-OE2 3.8Å; R2997-E3083 PolarHBondContact N-O 3.5Å; R2997-E3083 IonicContact NH1-OE2 3.21Å; R2997-E3083 PolarHBondContact NH1-OE2 3.41Å; R2997-E3083 IonicContact NH2-OE2 3.73Å; R2997-E3083 PolarHBondContact NH2-OE2 3.38Å; R2997-E3083 PolarHBondContact O-N 3.19Å
2998	Y	89.5	Confident	79.9	Confident	43 Å²	43	50.6 Å²	50.6	17%	0.169	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	138.4	175.8	-51.8	-99.5	0	0	0	111.8	E2896 V2897 V2899 V3068 I3072 E3080 L3081	E2896-Y2998 CarbonylContact C-O 3.03Å; E2896-Y2998 VanDerWaalsContact CA-O 3.29Å; E2896-Y2998 WeakPolarHBondContact CA-O 3.33Å; V2897-Y2998 HydrophobicContact CG1-CD2 4.24Å; V2897-Y2998 HydrophobicContact CG1-CG 4.43Å; V2897-Y2998 PolarHBondContact N-O 3.26Å; V2897-Y2998 PolarHBondContact O-N 2.92Å; V2899-Y2998 HydrophobicContact CB-CE2 4.4Å; V2899-Y2998 HydrophobicContact CG2-CD2 4.25Å; V2899-Y2998 HydrophobicContact CG2-CE2 3.93Å; Y2998-V3068 HydrophobicContact CD2-CG1 4.42Å; Y2998-V3068 HydrophobicContact CE2-CG1 4.44Å; Y2998-I3072 HydrophobicContact CD1-CD1 4.07Å; Y2998-I3072 HydrophobicContact CE1-CD1 4.1Å; Y2998-E3080 CarbonylContact C-O 3.54Å; Y2998-E3080 VanDerWaalsContact CA-O 3.24Å; Y2998-E3080 WeakPolarHBondContact CA-O 3.34Å; Y2998-L3081 HydrophobicContact CD1-CB 3.98Å; Y2998-L3081 HydrophobicContact CD1-CD1 3.86Å; Y2998-L3081 HydrophobicContact CD2-CD1 4.47Å; Y2998-L3081 HydrophobicContact CE1-CB 4.06Å; Y2998-L3081 HydrophobicContact CE1-CD1 3.62Å; Y2998-L3081 HydrophobicContact CE1-CG 4.37Å; Y2998-L3081 HydrophobicContact CE2-CD1 4.25Å; Y2998-L3081 HydrophobicContact CG-CD1 4.28Å
2999	L	91.4	Very high	78.3	Confident	13 Å²	13	50.8 Å²	50.8	7%	0.068	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	117.1	167.9	-170.1	68.1	0	0	0	109.6	R2894 E2896 H3001 A3079 E3080 I3082	R2894-L2999 HydrophobicContact CB-CD1 3.64Å; R2894-L2999 HydrophobicContact CG-CD1 4.33Å; E2896-L2999 HydrophobicContact CG-CD1 4.49Å; L2999-H3001 PolarHBondContact O-ND1 3.13Å; L2999-A3079 CarbonylContact O-C 3.58Å; L2999-A3079 WeakPolarHBondContact O-CA 3.4Å; L2999-A3079 WeakPolarHBondContact O-CB 3.44Å; L2999-E3080 HydrophobicContact CB-CB 4.38Å; L2999-E3080 PolarHBondContact N-O 3.22Å; L2999-E3080 PolarHBondContact O-N 2.94Å; L2999-I3082 HydrophobicContact CB-CD1 3.73Å; L2999-I3082 HydrophobicContact CB-CG1 3.73Å; L2999-I3082 HydrophobicContact CD1-CD1 4.05Å; L2999-I3082 HydrophobicContact CG-CD1 4.48Å
3000	V	91.3	Very high	76.6	Confident	8 Å²	8	51.2 Å²	51.2	5%	0.048	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	124.3	177.9	-177.1	0	0	0	0	109.4	W2873 D2895 V2897 I3003 V3019 L3077 A3079	W2873-V3000 HydrophobicContact CE3-CG2 4.48Å; W2873-V3000 HydrophobicContact CZ3-CG2 4Å; D2895-V3000 HydrophobicContact CB-CB 3.82Å; D2895-V3000 HydrophobicContact CB-CG1 4.45Å; D2895-V3000 PolarHBondContact O-N 2.85Å; V2897-V3000 HydrophobicContact CB-CG2 4.12Å; V2897-V3000 HydrophobicContact CG1-CG2 3.8Å; V3000-I3003 HydrophobicContact CG1-CG1 4.29Å; V3000-V3019 HydrophobicContact CB-CG2 3.98Å; V3000-V3019 HydrophobicContact CG1-CG2 3.77Å; V3000-V3019 HydrophobicContact CG2-CG2 4.05Å; V3000-L3077 HydrophobicContact CG1-CD1 3.78Å; V3000-L3077 HydrophobicContact CG2-CD1 4.28Å; V3000-A3079 HydrophobicContact CG2-CB 4.49Å
3001	H	87.5	Confident	75.7	Confident	109 Å²	109	57.8 Å²	57.8	51%	0.505	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	-39.5	177.7	-73.6	81.4	0	0	0	112.1	L2999 V3078 E3080	L2999-H3001 PolarHBondContact O-ND1 3.13Å; H3001-V3078 HydrophobicContact CB-CB 4.3Å; H3001-V3078 HydrophobicContact CB-CG1 3.99Å; H3001-V3078 WeakPolarHBondContact CB-O 3.43Å; H3001-V3078 PolarHBondContact N-O 3.29Å; H3001-E3080 IonicContact CE1-OE2 2.68Å; H3001-E3080 PolarHBondContact CE1-OE2 3.46Å
3002	S	86.1	Confident	74.6	Confident	10 Å²	10	62.1 Å²	62.1	7%	0.07	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.3	138.9	175.7	59.1	0	0	0	0	111.8	N3016 V3078	S3002-N3016 WeakPolarHBondContact CB-OD1 3.28Å; S3002-N3016 PolarHBondContact OG-OD1 3.18Å; S3002-V3078 PolarHBondContact N-O 3.16Å; S3002-V3078 PolarHBondContact O-N 2.95Å; S3002-V3078 WeakPolarHBondContact OG-CB 3.38Å; S3002-V3078 VanDerWaalsContact OG-CG2 3.3Å; S3002-V3078 WeakPolarHBondContact OG-CG2 3.44Å
3003	I	87.7	Confident	73.7	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	137.4	164.1	-71.1	166.2	0	0	0	109.2	W2873 V3000 L3017 V3019 A3022 L3027 I3028 M3035 L3077	W2873-I3003 HydrophobicContact CH2-CD1 4.31Å; W2873-I3003 HydrophobicContact CZ3-CD1 3.97Å; V3000-I3003 HydrophobicContact CG1-CG1 4.29Å; I3003-L3017 HydrophobicContact CB-CB 4.36Å; I3003-L3017 PolarHBondContact N-O 2.87Å; I3003-L3017 PolarHBondContact O-N 3.48Å; I3003-V3019 HydrophobicContact CD1-CG2 4.04Å; I3003-A3022 HydrophobicContact CB-CB 4.21Å; I3003-A3022 HydrophobicContact CD1-CB 3.4Å; I3003-A3022 VanDerWaalsContact CD1-CB 3.4Å; I3003-A3022 HydrophobicContact CG1-CB 4.39Å; I3003-A3022 HydrophobicContact CG2-CB 3.9Å; I3003-L3027 HydrophobicContact CG2-CD1 4.49Å; I3003-I3028 HydrophobicContact CD1-CD1 3.79Å; I3003-M3035 HydrophobicContact CB-CE 4.3Å; I3003-M3035 HydrophobicContact CD1-CE 4.1Å; I3003-M3035 HydrophobicContact CG1-CE 3.85Å; I3003-M3035 HydrophobicContact CG2-CE 3.57Å; I3003-L3077 HydrophobicContact CD1-CD1 4.35Å; I3003-L3077 HydrophobicContact CG1-CD1 3.65Å
3004	R	86.2	Confident	73	Confident	91 Å²	91	65.5 Å²	65.5	34%	0.343	34%	0.341	S	S	.	.			trans	-124.4	108.5	-178.1	-66.5	176.8	-177.7	155.8	2.6	110.4	N3016 F3076 V3078	R3004-N3016 PolarHBondContact NE-OD1 3.07Å; R3004-F3076 PolarHBondContact N-O 3.04Å; R3004-V3078 VanDerWaalsContact CZ-CG2 3.5Å
3005	P	72.1	Confident	72.7	Confident	44 Å²	44	69.5 Å²	69.5	29%	0.286	36%	0.362	S	S	.	.	S	Bend	trans	-69.9	133.1	165.6	29.1	-29	0	0	0	109.6	I3015 L3017 L3027	P3005-I3015 VanDerWaalsContact CD-O 3.31Å; P3005-I3015 WeakPolarHBondContact CD-O 3.35Å; P3005-L3017 HydrophobicContact CG-CD1 4.19Å; P3005-L3027 HydrophobicContact CB-CD1 3.82Å; P3005-L3027 HydrophobicContact CB-CD2 4.07Å; P3005-L3027 HydrophobicContact CG-CD1 4.1Å
3006	D	67	Low	72.6	Confident	44 Å²	44	70.4 Å²	70.4	24%	0.235	37%	0.371	C	S	.	.			trans	29.8	107.1	178.7	-173.9	24.8	0	0	0	117.8	G3008 Q3009	D3006-G3008 PolarHBondContact O-N 2.83Å; D3006-G3008 PolarHBondContact OD1-N 3.38Å; D3006-Q3009 HydrophobicContact CB-CG 4.47Å; D3006-Q3009 PolarHBondContact O-N 2.88Å; D3006-Q3009 VanDerWaalsContact O-N 3.15Å; D3006-Q3009 PolarHBondContact OD2-NE2 3Å
3007	A	55.9	Low	72.5	Confident	81 Å²	81	71.6 Å²	71.6	67%	0.669	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-10.3	173	0	0	0	0	0	114.7
3008	G	53.7	Low	72.4	Confident	49 Å²	49	71.9 Å²	71.9	51%	0.505	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-35.6	171.5	0	0	0	0	0	114.2	D3006	D3006-G3008 PolarHBondContact O-N 2.83Å; D3006-G3008 PolarHBondContact OD1-N 3.38Å
3009	Q	51.1	Low	72.3	Confident	68 Å²	68	69.8 Å²	69.8	32%	0.318	37%	0.374	S	S	.	.	S	Bend	trans	-86.1	122.7	-172.4	-57.4	-50.9	-43.4	0	0	112.7	D3006 Y3042	D3006-Q3009 HydrophobicContact CB-CG 4.47Å; D3006-Q3009 PolarHBondContact O-N 2.88Å; D3006-Q3009 VanDerWaalsContact O-N 3.15Å; D3006-Q3009 PolarHBondContact OD2-NE2 3Å; Q3009-Y3042 PolarHBondContact OE1-OH 3.36Å
3010	N	49.2	Very low	72.2	Confident	112 Å²	112	70 Å²	70	60%	0.599	38%	0.377	S	S	*	.			trans	57.1	69.1	172.7	-62	-61	0	0	0	115.9	H3012 N3013	N3010-H3012 PolarHBondContact O-N 2.86Å; N3010-N3013 CarbonylContact O-C 3.24Å; N3010-N3013 PolarHBondContact O-N 3.41Å
3011	K	55.1	Low	71.9	Confident	182 Å²	182	71 Å²	71	79%	0.791	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.9	-20.8	168.1	-74.9	-177.8	175.9	175	0	115.8
3012	H	53.6	Low	71.9	Confident	196 Å²	196	65.8 Å²	65.8	91%	0.907	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-16.8	178.4	-90.7	-77.2	0	0	0	115.4	N3010	N3010-H3012 PolarHBondContact O-N 2.86Å
3013	N	54.4	Low	72	Confident	121 Å²	121	67.5 Å²	67.5	65%	0.647	37%	0.368	S	S	*	.	S	Bend	trans	-158.9	91.3	175.4	-165.6	15.6	0	0	0	110.9	N3010 I3015	N3010-N3013 CarbonylContact O-C 3.24Å; N3010-N3013 PolarHBondContact O-N 3.41Å; N3013-I3015 PolarHBondContact O-N 3.26Å
3014	P	64	Low	71.9	Confident	64 Å²	64	75.2 Å²	75.2	42%	0.416	40%	0.397	S	S	.	.			trans	-65.8	126.5	179	26.7	-33.2	0	0	0	110.4	N3016	P3014-N3016 PolarHBondContact O-N 2.82Å; P3014-N3016 PolarHBondContact O-ND2 3.41Å; P3014-N3016 VanDerWaalsContact O-ND2 3.08Å
3015	I	71.6	Confident	71.8	Confident	108 Å²	108	74 Å²	74	55%	0.554	41%	0.406	S	S	*	.			trans	-73.3	91.4	178.1	-56.7	178.1	0	0	0	108.4	P3005 N3013 L3017	P3005-I3015 VanDerWaalsContact CD-O 3.31Å; P3005-I3015 WeakPolarHBondContact CD-O 3.35Å; N3013-I3015 PolarHBondContact O-N 3.26Å; I3015-L3017 HydrophobicContact CG2-CD2 3.85Å; I3015-L3017 HydrophobicContact CG2-CG 4.2Å
3016	N	82.1	Confident	72.3	Confident	81 Å²	81	73.7 Å²	73.7	43%	0.433	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-80.1	117.6	174	-62	-68.5	0	0	0	109	S3002 R3004 P3014	S3002-N3016 WeakPolarHBondContact CB-OD1 3.28Å; S3002-N3016 PolarHBondContact OG-OD1 3.18Å; R3004-N3016 PolarHBondContact NE-OD1 3.07Å; P3014-N3016 PolarHBondContact O-N 2.82Å; P3014-N3016 PolarHBondContact O-ND2 3.41Å; P3014-N3016 VanDerWaalsContact O-ND2 3.08Å
3017	L	83.3	Confident	73.2	Confident	34 Å²	34	72.9 Å²	72.9	18%	0.178	41%	0.407	C	S	.	.	B	Isolated β-bridge	trans	-102.8	145.6	178.4	-61.2	175.4	0	0	0	111	I3003 P3005 I3015 L3027	I3003-L3017 HydrophobicContact CB-CB 4.36Å; I3003-L3017 PolarHBondContact N-O 2.87Å; I3003-L3017 PolarHBondContact O-N 3.48Å; P3005-L3017 HydrophobicContact CG-CD1 4.19Å; I3015-L3017 HydrophobicContact CG2-CD2 3.85Å; I3015-L3017 HydrophobicContact CG2-CG 4.2Å; L3017-L3027 HydrophobicContact CD1-CD1 3.43Å; L3017-L3027 VanDerWaalsContact CD1-CD1 3.43Å
3018	D	86.9	Confident	74.8	Confident	51 Å²	51	69.3 Å²	69.3	27%	0.273	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-71.1	158.2	160.2	61.4	-40.4	0	0	0	110.4	D2895 A3020 S3021 A3022 R3024	D2895-D3018 WeakPolarHBondContact OD2-CA 3.28Å; D3018-A3020 PolarHBondContact O-N 2.71Å; D3018-A3020 WeakPolarHBondContact OD2-CB 3.4Å; D3018-S3021 PolarHBondContact O-N 3.16Å; D3018-S3021 WeakPolarHBondContact OD1-CB 3.27Å; D3018-S3021 PolarHBondContact OD1-N 3.2Å; D3018-S3021 PolarHBondContact OD1-OG 2.93Å; D3018-S3021 PolarHBondContact OD2-N 3.46Å; D3018-A3022 PolarHBondContact O-N 2.67Å; D3018-R3024 IonicContact OD1-NH2 2.84Å; D3018-R3024 IonicContact OD2-NH2 2.73Å; D3018-R3024 PolarHBondContact OD2-NH2 3.41Å
3019	V	89.1	Confident	76.3	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-56.7	-37	177.2	173.2	0	0	0	0	110.8	W2873 P2875 D2895 V3000 I3003 S3021 A3022 I3023 I3028	W2873-V3019 HydrophobicContact CB-CG1 3.92Å; W2873-V3019 HydrophobicContact CD2-CG1 4.31Å; W2873-V3019 HydrophobicContact CE3-CB 4.45Å; W2873-V3019 HydrophobicContact CE3-CG1 3.73Å; W2873-V3019 HydrophobicContact CE3-CG2 3.78Å; W2873-V3019 HydrophobicContact CG-CG1 4.43Å; W2873-V3019 HydrophobicContact CZ3-CG2 4Å; P2875-V3019 HydrophobicContact CB-CB 4.31Å; P2875-V3019 HydrophobicContact CB-CG1 4.27Å; P2875-V3019 HydrophobicContact CG-CG1 4Å; D2895-V3019 HydrophobicContact CB-CB 4.2Å; D2895-V3019 HydrophobicContact CB-CG2 3.64Å; D2895-V3019 WeakPolarHBondContact OD2-CG2 3.4Å; D2895-V3019 PolarHBondContact OD2-N 3.41Å; V3000-V3019 HydrophobicContact CB-CG2 3.98Å; V3000-V3019 HydrophobicContact CG1-CG2 3.77Å; V3000-V3019 HydrophobicContact CG2-CG2 4.05Å; I3003-V3019 HydrophobicContact CD1-CG2 4.04Å; V3019-S3021 PolarHBondContact O-N 3.22Å; V3019-A3022 PolarHBondContact O-N 2.96Å; V3019-I3023 HydrophobicContact CG1-CD1 3.79Å; V3019-I3023 HydrophobicContact CG1-CG1 4.41Å; V3019-I3023 VanDerWaalsContact O-CG1 3.3Å; V3019-I3023 WeakPolarHBondContact O-CG1 3.46Å; V3019-I3023 PolarHBondContact O-N 3.04Å; V3019-I3028 HydrophobicContact CG1-CD1 4.32Å
3020	A	87.8	Confident	77.8	Confident	17 Å²	17	72.2 Å²	72.2	14%	0.14	38%	0.375	C	S	.	.	H	α-helix	trans	-66.4	-36.9	177	0	0	0	0	0	112.6	P2875 D3018 R3024	P2875-A3020 HydrophobicContact CB-CB 3.9Å; P2875-A3020 HydrophobicContact CG-CB 4.47Å; D3018-A3020 PolarHBondContact O-N 2.71Å; D3018-A3020 WeakPolarHBondContact OD2-CB 3.4Å; A3020-R3024 VanDerWaalsContact C-CZ 3.44Å; A3020-R3024 VanDerWaalsContact O-CG 3.27Å; A3020-R3024 WeakPolarHBondContact O-CG 3.13Å; A3020-R3024 PolarHBondContact O-N 3Å; A3020-R3024 VanDerWaalsContact O-N 3.12Å; A3020-R3024 PolarHBondContact O-NE 3.3Å
3021	S	85	Confident	79.3	Confident	29 Å²	29	74.3 Å²	74.3	20%	0.203	38%	0.381	C	S	.	.	H	α-helix	trans	-73.9	-34.8	173.2	-61.7	0	0	0	0	112.8	D3018 V3019 I3023 R3024 A3025	D3018-S3021 PolarHBondContact O-N 3.16Å; D3018-S3021 WeakPolarHBondContact OD1-CB 3.27Å; D3018-S3021 PolarHBondContact OD1-N 3.2Å; D3018-S3021 PolarHBondContact OD1-OG 2.93Å; D3018-S3021 PolarHBondContact OD2-N 3.46Å; V3019-S3021 PolarHBondContact O-N 3.22Å; S3021-I3023 PolarHBondContact O-N 2.93Å; S3021-R3024 VanDerWaalsContact N-NH2 3.17Å; S3021-R3024 CarbonylContact O-C 3.5Å; S3021-R3024 PolarHBondContact O-N 3.35Å; S3021-R3024 PolarHBondContact OG-NH2 3.42Å; S3021-A3025 VanDerWaalsContact O-CB 3.22Å; S3021-A3025 WeakPolarHBondContact O-CB 3.48Å; S3021-A3025 PolarHBondContact O-N 3.11Å
3022	A	88	Confident	80.5	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-62.3	-41.9	175.3	0	0	0	0	0	112.1	I3003 D3018 V3019 A3025 G3026 L3027 I3028	I3003-A3022 HydrophobicContact CB-CB 4.21Å; I3003-A3022 HydrophobicContact CD1-CB 3.4Å; I3003-A3022 VanDerWaalsContact CD1-CB 3.4Å; I3003-A3022 HydrophobicContact CG1-CB 4.39Å; I3003-A3022 HydrophobicContact CG2-CB 3.9Å; D3018-A3022 PolarHBondContact O-N 2.67Å; V3019-A3022 PolarHBondContact O-N 2.96Å; A3022-A3025 PolarHBondContact O-N 3.25Å; A3022-G3026 PolarHBondContact O-N 3.24Å; A3022-G3026 VanDerWaalsContact O-N 3.17Å; A3022-L3027 HydrophobicContact CB-CB 4.31Å; A3022-L3027 PolarHBondContact O-N 3.27Å; A3022-I3028 HydrophobicContact CB-CD1 3.8Å; A3022-I3028 HydrophobicContact CB-CG1 4.27Å
3023	I	87.8	Confident	81.9	Confident	45 Å²	45	58.7 Å²	58.7	23%	0.231	32%	0.317	C	S	.	.	H	α-helix	trans	-67	-33.6	173.4	-65.4	168.8	0	0	0	111.9	W2873 P2875 V3019 S3021 I3028 K3030	W2873-I3023 HydrophobicContact CB-CD1 4.27Å; P2875-I3023 HydrophobicContact CG-CD1 4.29Å; V3019-I3023 HydrophobicContact CG1-CD1 3.79Å; V3019-I3023 HydrophobicContact CG1-CG1 4.41Å; V3019-I3023 VanDerWaalsContact O-CG1 3.3Å; V3019-I3023 WeakPolarHBondContact O-CG1 3.46Å; V3019-I3023 PolarHBondContact O-N 3.04Å; S3021-I3023 PolarHBondContact O-N 2.93Å; I3023-I3028 HydrophobicContact CG1-CB 4.1Å; I3023-I3028 HydrophobicContact CG1-CD1 3.85Å; I3023-I3028 HydrophobicContact CG1-CG2 4.29Å; I3023-K3030 HydrophobicContact CG2-CG 4.5Å; I3023-K3030 WeakPolarHBondContact O-CE 3.44Å
3024	R	85.5	Confident	83.3	Confident	162 Å²	162	55.8 Å²	55.8	61%	0.611	30%	0.299	S	S	*	.	H	α-helix	trans	-71.3	-34.3	173.1	-75.3	-178.7	-65.9	-103.2	1.5	112.9	D3018 A3020 S3021	D3018-R3024 IonicContact OD1-NH2 2.84Å; D3018-R3024 IonicContact OD2-NH2 2.73Å; D3018-R3024 PolarHBondContact OD2-NH2 3.41Å; A3020-R3024 VanDerWaalsContact C-CZ 3.44Å; A3020-R3024 VanDerWaalsContact O-CG 3.27Å; A3020-R3024 WeakPolarHBondContact O-CG 3.13Å; A3020-R3024 PolarHBondContact O-N 3Å; A3020-R3024 VanDerWaalsContact O-N 3.12Å; A3020-R3024 PolarHBondContact O-NE 3.3Å; S3021-R3024 VanDerWaalsContact N-NH2 3.17Å; S3021-R3024 CarbonylContact O-C 3.5Å; S3021-R3024 PolarHBondContact O-N 3.35Å; S3021-R3024 PolarHBondContact OG-NH2 3.42Å
3025	A	84.6	Confident	84.3	Confident	65 Å²	65	52.7 Å²	52.7	54%	0.537	28%	0.279	S	S	.	.	H	α-helix	trans	-83.7	-7.7	-178	0	0	0	0	0	114.1	S3021 A3022 L3027	S3021-A3025 VanDerWaalsContact O-CB 3.22Å; S3021-A3025 WeakPolarHBondContact O-CB 3.48Å; S3021-A3025 PolarHBondContact O-N 3.11Å; A3022-A3025 PolarHBondContact O-N 3.25Å; A3025-L3027 VanDerWaalsContact C-N 3.32Å; A3025-L3027 HydrophobicContact CB-CD1 4.11Å; A3025-L3027 HydrophobicContact CB-CG 4.09Å
3026	G	83.7	Confident	84.9	Confident	39 Å²	39	49.4 Å²	49.4	40%	0.402	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	78	13.5	-176.7	0	0	0	0	0	114.5	A3022 I3028 L3036	A3022-G3026 PolarHBondContact O-N 3.24Å; A3022-G3026 VanDerWaalsContact O-N 3.17Å; G3026-I3028 VanDerWaalsContact C-N 3.26Å; G3026-I3028 PolarHBondContact O-N 3.26Å; G3026-L3036 WeakPolarHBondContact O-CD1 3.47Å
3027	L	85.8	Confident	84.6	Confident	26 Å²	26	46.2 Å²	46.2	14%	0.136	25%	0.245	C	C	.	.			trans	-79.6	-9.3	176.7	-61.9	170.7	0	0	0	112.9	I3003 P3005 L3017 A3022 A3025 M3035 L3036	I3003-L3027 HydrophobicContact CG2-CD1 4.49Å; P3005-L3027 HydrophobicContact CB-CD1 3.82Å; P3005-L3027 HydrophobicContact CB-CD2 4.07Å; P3005-L3027 HydrophobicContact CG-CD1 4.1Å; L3017-L3027 HydrophobicContact CD1-CD1 3.43Å; L3017-L3027 VanDerWaalsContact CD1-CD1 3.43Å; A3022-L3027 HydrophobicContact CB-CB 4.31Å; A3022-L3027 PolarHBondContact O-N 3.27Å; A3025-L3027 VanDerWaalsContact C-N 3.32Å; A3025-L3027 HydrophobicContact CB-CD1 4.11Å; A3025-L3027 HydrophobicContact CB-CG 4.09Å; L3027-M3035 CarbonylContact O-C 3.48Å; L3027-M3035 WeakPolarHBondContact O-CA 3.35Å; L3027-L3036 PolarHBondContact O-N 2.98Å
3028	I	88.4	Confident	83.6	Confident	6 Å²	6	48.6 Å²	48.6	3%	0.031	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-121.6	123.2	169.1	-67.9	164	0	0	0	107.3	W2873 I3003 V3019 A3022 I3023 G3026 K3030 M3035	W2873-I3028 HydrophobicContact CD2-CD1 3.68Å; W2873-I3028 HydrophobicContact CD2-CG1 4.5Å; W2873-I3028 HydrophobicContact CE3-CD1 3.8Å; W2873-I3028 HydrophobicContact CG-CD1 4.26Å; W2873-I3028 HydrophobicContact CG-CG2 4.38Å; W2873-I3028 HydrophobicContact CH2-CD1 4.02Å; W2873-I3028 HydrophobicContact CH2-CG1 4.44Å; W2873-I3028 HydrophobicContact CZ2-CD1 3.92Å; W2873-I3028 HydrophobicContact CZ2-CG1 4.05Å; W2873-I3028 HydrophobicContact CZ3-CD1 3.97Å; I3003-I3028 HydrophobicContact CD1-CD1 3.79Å; V3019-I3028 HydrophobicContact CG1-CD1 4.32Å; A3022-I3028 HydrophobicContact CB-CD1 3.8Å; A3022-I3028 HydrophobicContact CB-CG1 4.27Å; I3023-I3028 HydrophobicContact CG1-CB 4.1Å; I3023-I3028 HydrophobicContact CG1-CD1 3.85Å; I3023-I3028 HydrophobicContact CG1-CG2 4.29Å; G3026-I3028 VanDerWaalsContact C-N 3.26Å; G3026-I3028 PolarHBondContact O-N 3.26Å; I3028-K3030 PolarHBondContact O-N 3.34Å; I3028-M3035 HydrophobicContact CG1-CG 4.22Å
3029	D	85.5	Confident	82.3	Confident	14 Å²	14	52.6 Å²	52.6	8%	0.075	28%	0.278	C	S	.	.			trans	-67.1	124.2	170.7	-176.7	-20.4	0	0	0	109.3	E3031 T3032 G3033 Q3034 L3036 R3065	D3029-E3031 PolarHBondContact OD1-N 3.28Å; D3029-T3032 VanDerWaalsContact CB-OG1 3.3Å; D3029-T3032 WeakPolarHBondContact CB-OG1 3.26Å; D3029-T3032 PolarHBondContact OD1-N 2.78Å; D3029-T3032 WeakPolarHBondContact OD2-CG2 3.48Å; D3029-T3032 PolarHBondContact OD2-OG1 3.24Å; D3029-G3033 WeakPolarHBondContact O-CA 3.49Å; D3029-G3033 PolarHBondContact O-N 3.28Å; D3029-Q3034 WeakPolarHBondContact CB-O 3.24Å; D3029-Q3034 PolarHBondContact N-O 3.19Å; D3029-L3036 HydrophobicContact CB-CD1 3.82Å; D3029-L3036 HydrophobicContact CB-CG 4.08Å; D3029-R3065 IonicContact OD2-CZ 3.14Å; D3029-R3065 VanDerWaalsContact OD2-CZ 3.22Å; D3029-R3065 IonicContact OD2-NE 2.75Å; D3029-R3065 PolarHBondContact OD2-NE 3.35Å; D3029-R3065 IonicContact OD2-NH2 3.75Å; D3029-R3065 PolarHBondContact OD2-NH2 3.48Å
3030	K	82.6	Confident	80.5	Confident	164 Å²	164	54.8 Å²	54.8	71%	0.713	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-17.6	-176.2	-66	173.6	-176.3	165.5	0	113.4	I3023 I3028	I3023-K3030 HydrophobicContact CG2-CG 4.5Å; I3023-K3030 WeakPolarHBondContact O-CE 3.44Å; I3028-K3030 PolarHBondContact O-N 3.34Å
3031	E	79.6	Confident	78.2	Confident	156 Å²	156	59.3 Å²	59.3	73%	0.729	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-39	-179.2	-61.1	-173.1	177.4	0	0	111.3	D3029	D3029-E3031 PolarHBondContact OD1-N 3.28Å
3032	T	81	Confident	76	Confident	43 Å²	43	65.9 Å²	65.9	26%	0.264	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-15.7	-179.1	67.4	0	0	0	0	114.2	D3029 Q3034	D3029-T3032 VanDerWaalsContact CB-OG1 3.3Å; D3029-T3032 WeakPolarHBondContact CB-OG1 3.26Å; D3029-T3032 PolarHBondContact OD1-N 2.78Å; D3029-T3032 WeakPolarHBondContact OD2-CG2 3.48Å; D3029-T3032 PolarHBondContact OD2-OG1 3.24Å; T3032-Q3034 PolarHBondContact O-N 3.46Å; T3032-Q3034 WeakPolarHBondContact OG1-CB 3.3Å; T3032-Q3034 PolarHBondContact OG1-N 3.35Å
3033	G	82.9	Confident	73.5	Confident	8 Å²	8	74 Å²	74	8%	0.082	38%	0.378	C	S	.	.			trans	68.5	2.7	-172.6	0	0	0	0	0	114.5	W2873 D3029	W2873-G3033 PolarHBondContact NE1-O 3.26Å; D3029-G3033 WeakPolarHBondContact O-CA 3.49Å; D3029-G3033 PolarHBondContact O-N 3.28Å
3034	Q	84.9	Confident	71	Confident	59 Å²	59	75.7 Å²	75.7	28%	0.276	39%	0.394	S	S	.	.			trans	-78.1	160.1	178.8	-63.5	177.9	-5.5	0	0	111.1	D3029 T3032 L3066	D3029-Q3034 WeakPolarHBondContact CB-O 3.24Å; D3029-Q3034 PolarHBondContact N-O 3.19Å; T3032-Q3034 PolarHBondContact O-N 3.46Å; T3032-Q3034 WeakPolarHBondContact OG1-CB 3.3Å; T3032-Q3034 PolarHBondContact OG1-N 3.35Å; Q3034-L3066 WeakPolarHBondContact CB-O 3.44Å
3035	M	84.7	Confident	68.7	Low	0 Å²	0	73.4 Å²	73.4	0%	0	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	136.8	177.8	-66.3	-174.2	75.8	0	0	110.9	W2873 I3003 L3027 I3028 F3037 R3065 L3066 A3071 L3077	W2873-M3035 HydrophobicContact CH2-CG 4.12Å; W2873-M3035 HydrophobicContact CH2-SD 3.78Å; W2873-M3035 HydrophobicContact CZ2-CG 3.79Å; W2873-M3035 HydrophobicContact CZ2-SD 4.07Å; I3003-M3035 HydrophobicContact CB-CE 4.3Å; I3003-M3035 HydrophobicContact CD1-CE 4.1Å; I3003-M3035 HydrophobicContact CG1-CE 3.85Å; I3003-M3035 HydrophobicContact CG2-CE 3.57Å; L3027-M3035 CarbonylContact O-C 3.48Å; L3027-M3035 WeakPolarHBondContact O-CA 3.35Å; I3028-M3035 HydrophobicContact CG1-CG 4.22Å; M3035-F3037 HydrophobicContact CB-CD2 4.38Å; M3035-F3037 HydrophobicContact CB-CE2 3.42Å; M3035-F3037 VanDerWaalsContact CB-CE2 3.42Å; M3035-F3037 HydrophobicContact CB-CZ 3.86Å; M3035-F3037 HydrophobicContact CE-CZ 3.86Å; M3035-F3037 HydrophobicContact SD-CZ 4.44Å; M3035-R3065 WeakPolarHBondContact O-CA 3.48Å; M3035-L3066 PolarHBondContact N-O 3.39Å; M3035-L3066 PolarHBondContact O-N 3.14Å; M3035-A3071 HydrophobicContact CB-CB 4.41Å; M3035-A3071 HydrophobicContact CG-CB 4.4Å; M3035-A3071 HydrophobicContact SD-CB 3.5Å; M3035-A3071 VanDerWaalsContact SD-CB 3.5Å; M3035-L3077 HydrophobicContact CE-CB 4.4Å; M3035-L3077 HydrophobicContact SD-CB 3.82Å; M3035-L3077 HydrophobicContact SD-CD1 4.3Å; M3035-L3077 HydrophobicContact SD-CD2 4.01Å; M3035-L3077 HydrophobicContact SD-CG 4.27Å
3036	L	83.3	Confident	66.7	Low	38 Å²	38	78.4 Å²	78.4	20%	0.199	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	127.1	-175	-74.3	165.6	0	0	0	110.8	G3026 L3027 D3029 R3065	G3026-L3036 WeakPolarHBondContact O-CD1 3.47Å; L3027-L3036 PolarHBondContact O-N 2.98Å; D3029-L3036 HydrophobicContact CB-CD1 3.82Å; D3029-L3036 HydrophobicContact CB-CG 4.08Å; L3036-R3065 HydrophobicContact CD2-CG 3.5Å
3037	F	75.2	Confident	64.6	Low	14 Å²	14	82 Å²	82	6%	0.061	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	115.5	178.5	-60.9	-83.6	0	0	0	111.5	M3035 H3039 T3063 E3064 L3066 F3076	M3035-F3037 HydrophobicContact CB-CD2 4.38Å; M3035-F3037 HydrophobicContact CB-CE2 3.42Å; M3035-F3037 VanDerWaalsContact CB-CE2 3.42Å; M3035-F3037 HydrophobicContact CB-CZ 3.86Å; M3035-F3037 HydrophobicContact CE-CZ 3.86Å; M3035-F3037 HydrophobicContact SD-CZ 4.44Å; F3037-H3039 PolarHBondContact O-N 2.99Å; F3037-T3063 CarbonylContact O-C 3.45Å; F3037-T3063 WeakPolarHBondContact O-CA 3.41Å; F3037-E3064 PolarHBondContact N-O 2.9Å; F3037-E3064 PolarHBondContact O-N 3.37Å; F3037-L3066 HydrophobicContact CD2-CB 4.33Å; F3037-L3066 HydrophobicContact CD2-CD1 3.51Å; F3037-L3066 HydrophobicContact CD2-CG 3.69Å; F3037-L3066 HydrophobicContact CE2-CB 4.15Å; F3037-L3066 HydrophobicContact CE2-CD1 3.56Å; F3037-L3066 HydrophobicContact CE2-CG 3.93Å; F3037-L3066 HydrophobicContact CG-CD1 4.42Å; F3037-F3076 HydrophobicContact CD1-CB 4.47Å; F3037-F3076 HydrophobicContact CD1-CD1 4.02Å; F3037-F3076 HydrophobicContact CD1-CD2 4.11Å; F3037-F3076 HydrophobicContact CD1-CE1 4.21Å; F3037-F3076 HydrophobicContact CD1-CE2 4.29Å; F3037-F3076 AromaticContact CD1-CG 3.97Å; F3037-F3076 HydrophobicContact CD1-CG 3.97Å; F3037-F3076 HydrophobicContact CD1-CZ 4.34Å; F3037-F3076 HydrophobicContact CD2-CD2 4.3Å; F3037-F3076 HydrophobicContact CE1-CB 3.44Å; F3037-F3076 VanDerWaalsContact CE1-CB 3.44Å; F3037-F3076 AromaticContact CE1-CD1 3.69Å; F3037-F3076 HydrophobicContact CE1-CD1 3.69Å; F3037-F3076 AromaticContact CE1-CD2 3.83Å; F3037-F3076 HydrophobicContact CE1-CD2 3.83Å; F3037-F3076 HydrophobicContact CE1-CE1 4.35Å; F3037-F3076 HydrophobicContact CE1-CE2 4.45Å; F3037-F3076 AromaticContact CE1-CG 3.4Å; F3037-F3076 HydrophobicContact CE1-CG 3.4Å; F3037-F3076 HydrophobicContact CE2-CB 4.26Å; F3037-F3076 AromaticContact CE2-CD2 4Å; F3037-F3076 HydrophobicContact CE2-CD2 4Å; F3037-F3076 HydrophobicContact CE2-CG 4.3Å; F3037-F3076 HydrophobicContact CG-CD2 4.34Å; F3037-F3076 HydrophobicContact CG-CE2 4.34Å; F3037-F3076 HydrophobicContact CZ-CB 3.3Å; F3037-F3076 HydrophobicContact CZ-CD1 4.35Å; F3037-F3076 AromaticContact CZ-CD2 3.76Å; F3037-F3076 HydrophobicContact CZ-CD2 3.76Å; F3037-F3076 AromaticContact CZ-CG 3.59Å; F3037-F3076 HydrophobicContact CZ-CG 3.59Å
3038	T	63.2	Low	62.4	Low	84 Å²	84	86.3 Å²	86.3	52%	0.515	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	113.7	165.9	48.4	0	0	0	0	109.3	S3040 T3063	T3038-S3040 VanDerWaalsContact C-N 3.34Å; T3038-S3040 PolarHBondContact O-N 3.35Å; T3038-T3063 HydrophobicContact CG2-CG2 3.72Å
3039	H	59.7	Low	60	Low	135 Å²	135	92.9 Å²	92.9	63%	0.625	49%	0.492	S	S	*	.			trans	-77.3	86.3	170.1	-169.7	73.5	0	0	0	110	F3037 V3041	F3037-H3039 PolarHBondContact O-N 2.99Å; H3039-V3041 PolarHBondContact O-N 3.45Å
3040	S	50.4	Low	58	Low	47 Å²	47	97.9 Å²	97.9	33%	0.329	53%	0.528	S	S	.	.			trans	-68.1	101.5	177	59	0	0	0	0	110	T3038 Y3042	T3038-S3040 VanDerWaalsContact C-N 3.34Å; T3038-S3040 PolarHBondContact O-N 3.35Å; S3040-Y3042 PolarHBondContact O-N 3.4Å
3041	V	39.5	Very low	55.8	Low	111 Å²	111	95.6 Å²	95.6	67%	0.673	53%	0.53	S	S	*	.			trans	-67.5	98.4	174.6	179.7	0	0	0	0	108.6	H3039 E3043	H3039-V3041 PolarHBondContact O-N 3.45Å; V3041-E3043 VanDerWaalsContact C-N 3.3Å; V3041-E3043 PolarHBondContact O-N 3.06Å
3042	Y	40.7	Very low	54.2	Low	167 Å²	167	95.7 Å²	95.7	66%	0.655	53%	0.534	S	S	*	.			trans	-74.2	84.4	173	-95.7	-114.5	0	0	0	109.9	Q3009 S3040 S3044	Q3009-Y3042 PolarHBondContact OE1-OH 3.36Å; S3040-Y3042 PolarHBondContact O-N 3.4Å; Y3042-S3044 PolarHBondContact O-N 3.48Å
3043	E	35	Very low	52.4	Low	170 Å²	170	98.4 Å²	98.4	79%	0.794	55%	0.554	S	S	*	*			trans	-57.6	123	155.4	-70.9	-160.1	147	0	0	108.5	V3041 P3045	V3041-E3043 VanDerWaalsContact C-N 3.3Å; V3041-E3043 PolarHBondContact O-N 3.06Å; E3043-P3045 WeakPolarHBondContact O-CD 3.45Å
3044	S	34.3	Very low	50.7	Low	82 Å²	82	108 Å²	108	57%	0.573	59%	0.594	S	S	*	*			trans	-65.1	120.4	-176.1	-179.9	0	0	0	0	110.4	Y3042 F3046	Y3042-S3044 PolarHBondContact O-N 3.48Å; S3044-F3046 PolarHBondContact O-N 3.42Å
3045	P	38.5	Very low	48.5	Very low	114 Å²	114	114.4 Å²	114.4	74%	0.74	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76	30.9	-176.6	32.7	-37.1	0	0	0	113.5	E3043	E3043-P3045 WeakPolarHBondContact O-CD 3.45Å
3046	F	40.9	Very low	46.2	Very low	170 Å²	170	117 Å²	117	75%	0.746	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.4	8.8	-174.5	-80.1	-77	0	0	0	114.8	S3044 T3048	S3044-F3046 PolarHBondContact O-N 3.42Å; F3046-T3048 PolarHBondContact O-N 3.32Å
3047	S	40.4	Very low	43.9	Very low	115 Å²	115	122.8 Å²	122.8	80%	0.804	68%	0.679	S	S	*	*			trans	-88.3	75.7	165.6	-71.5	0	0	0	0	110.8
3048	T	39.2	Very low	42.2	Very low	115 Å²	115	127.7 Å²	127.7	71%	0.706	72%	0.715	S	S	*	*			trans	-66	164.5	172.1	-25	0	0	0	0	111.5	F3046	F3046-T3048 PolarHBondContact O-N 3.32Å
3049	D	39.2	Very low	41.1	Very low	144 Å²	144	129.6 Å²	129.6	77%	0.77	73%	0.732	S	S	*	*			trans	73.6	61.7	165	-56.4	-23	0	0	0	118.4
3050	S	43.3	Very low	40.4	Very low	120 Å²	120	127 Å²	127	84%	0.839	73%	0.729	S	S	*	*			trans	-160.2	113.3	132.7	-84.6	0	0	0	0	112.8
3051	P	35.9	Very low	40.3	Very low	116 Å²	116	131.6 Å²	131.6	75%	0.753	75%	0.75	S	S	*	*			trans	-86.8	174.1	169.9	36.3	-34.6	0	0	0	112.1
3052	I	45.2	Very low	41	Very low	158 Å²	158	133 Å²	133	81%	0.81	75%	0.749	S	S	*	*			trans	89.4	95.6	167.8	-50.1	164.3	0	0	0	116.1
3053	S	44.6	Very low	42.3	Very low	99 Å²	99	129 Å²	129	69%	0.692	74%	0.742	S	S	*	*			trans	66.9	102	140	-160.8	0	0	0	0	119.7
3054	K	46.2	Very low	44.5	Very low	210 Å²	210	124.8 Å²	124.8	91%	0.913	72%	0.722	S	S	*	*				-157.2	174.3	103.8	-101.5	150.6	-170.3	174	0	111.9
3055	K	40.1	Very low	46.8	Very low	193 Å²	193	127.4 Å²	127.4	84%	0.839	72%	0.72	S	S	*	*			trans	-130.3	129.3	-168.4	173.6	-177.7	-178.9	172.2	0	108.5
3056	G	35.6	Very low	49	Very low	55 Å²	55	122 Å²	122	57%	0.567	68%	0.684	S	S	*	*			trans	146.2	106.1	171.6	0	0	0	0	0	114.3
3057	D	34.8	Very low	51.2	Low	159 Å²	159	116.3 Å²	116.3	85%	0.85	67%	0.666	S	S	*	*			trans	62.4	139.1	133	-40.4	-32	0	0	0	121.8
3058	S	40.3	Very low	53.4	Low	117 Å²	117	111.1 Å²	111.1	82%	0.818	63%	0.63	S	S	*	*			trans	110.4	16.8	156.9	-40.2	0	0	0	0	120.4	S3060	S3058-S3060 PolarHBondContact O-N 2.64Å; S3058-S3060 VanDerWaalsContact O-N 3.15Å
3059	S	39.2	Very low	55.5	Low	125 Å²	125	109.5 Å²	109.5	87%	0.874	61%	0.61	S	S	*	*			trans	-80.6	84.4	163.4	60.7	0	0	0	0	111.1
3060	S	45.1	Very low	57.6	Low	80 Å²	80	105.5 Å²	105.5	56%	0.559	59%	0.587	S	S	*	*			trans	-79.5	118.6	172.4	61.1	0	0	0	0	110.8	S3058 Q3062	S3058-S3060 PolarHBondContact O-N 2.64Å; S3058-S3060 VanDerWaalsContact O-N 3.15Å; S3060-Q3062 VanDerWaalsContact C-N 3.32Å; S3060-Q3062 PolarHBondContact O-N 3.32Å; S3060-Q3062 WeakPolarHBondContact OG-CG 3.46Å; S3060-Q3062 PolarHBondContact OG-NE2 2.95Å
3061	D	48.1	Very low	59.7	Low	144 Å²	144	99.8 Å²	99.8	77%	0.77	55%	0.547	S	S	*	.			trans	-66	90.8	165.2	-76.1	-47.1	0	0	0	109.4	T3063	D3061-T3063 PolarHBondContact O-N 2.98Å
3062	Q	54.4	Low	62.1	Low	141 Å²	141	96.7 Å²	96.7	66%	0.659	52%	0.524	S	S	*	.			trans	-77.6	95.8	178.1	-62.1	-165.6	11.3	0	0	109.5	S3060 E3064	S3060-Q3062 VanDerWaalsContact C-N 3.32Å; S3060-Q3062 PolarHBondContact O-N 3.32Å; S3060-Q3062 WeakPolarHBondContact OG-CG 3.46Å; S3060-Q3062 PolarHBondContact OG-NE2 2.95Å; Q3062-E3064 PolarHBondContact O-N 3.43Å
3063	T	68.4	Low	64	Low	82 Å²	82	94.1 Å²	94.1	50%	0.503	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	101.2	161.8	49	0	0	0	0	109	F3037 T3038 D3061	F3037-T3063 CarbonylContact O-C 3.45Å; F3037-T3063 WeakPolarHBondContact O-CA 3.41Å; T3038-T3063 HydrophobicContact CG2-CG2 3.72Å; D3061-T3063 PolarHBondContact O-N 2.98Å
3064	E	80.9	Confident	65.8	Low	82 Å²	82	94.2 Å²	94.2	38%	0.383	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	128.5	174.3	-157.9	179.4	-174.8	0	0	109.5	F3037 Q3062 L3066 R3074	F3037-E3064 PolarHBondContact N-O 2.9Å; F3037-E3064 PolarHBondContact O-N 3.37Å; Q3062-E3064 PolarHBondContact O-N 3.43Å; E3064-L3066 HydrophobicContact CG-CD2 3.76Å; E3064-R3074 IonicContact OE1-CZ 2.89Å; E3064-R3074 VanDerWaalsContact OE1-CZ 3.26Å; E3064-R3074 IonicContact OE1-NH1 3.47Å; E3064-R3074 PolarHBondContact OE1-NH1 2.75Å; E3064-R3074 IonicContact OE1-NH2 3.52Å; E3064-R3074 PolarHBondContact OE1-NH2 3.2Å; E3064-R3074 IonicContact OE2-CZ 2.94Å; E3064-R3074 IonicContact OE2-NH1 2.74Å; E3064-R3074 PolarHBondContact OE2-NH1 3.14Å; E3064-R3074 IonicContact OE2-NH2 3.59Å
3065	R	82.8	Confident	67.6	Low	136 Å²	136	85.9 Å²	85.9	51%	0.513	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	118.1	171.9	-84.4	-178.2	168.1	115.2	-9.2	108.8	D3029 M3035 L3036	D3029-R3065 IonicContact OD2-CZ 3.14Å; D3029-R3065 VanDerWaalsContact OD2-CZ 3.22Å; D3029-R3065 IonicContact OD2-NE 2.75Å; D3029-R3065 PolarHBondContact OD2-NE 3.35Å; D3029-R3065 IonicContact OD2-NH2 3.75Å; D3029-R3065 PolarHBondContact OD2-NH2 3.48Å; M3035-R3065 WeakPolarHBondContact O-CA 3.48Å; L3036-R3065 HydrophobicContact CD2-CG 3.5Å
3066	L	84	Confident	69.8	Low	0 Å²	0	78.1 Å²	78.1	0%	0	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	141.6	178.4	-53.9	-174	0	0	0	111.6	Q3034 M3035 F3037 E3064 E3070 A3071 F3076	Q3034-L3066 WeakPolarHBondContact CB-O 3.44Å; M3035-L3066 PolarHBondContact N-O 3.39Å; M3035-L3066 PolarHBondContact O-N 3.14Å; F3037-L3066 HydrophobicContact CD2-CB 4.33Å; F3037-L3066 HydrophobicContact CD2-CD1 3.51Å; F3037-L3066 HydrophobicContact CD2-CG 3.69Å; F3037-L3066 HydrophobicContact CE2-CB 4.15Å; F3037-L3066 HydrophobicContact CE2-CD1 3.56Å; F3037-L3066 HydrophobicContact CE2-CG 3.93Å; F3037-L3066 HydrophobicContact CG-CD1 4.42Å; E3064-L3066 HydrophobicContact CG-CD2 3.76Å; L3066-E3070 HydrophobicContact CB-CB 4.37Å; L3066-E3070 HydrophobicContact CB-CG 4.27Å; L3066-E3070 HydrophobicContact CD1-CG 4.45Å; L3066-E3070 HydrophobicContact CD2-CG 4.05Å; L3066-E3070 HydrophobicContact CG-CG 4.49Å; L3066-A3071 HydrophobicContact CB-CB 4.42Å; L3066-F3076 HydrophobicContact CD1-CD2 3.68Å; L3066-F3076 HydrophobicContact CD1-CE2 3.8Å
3067	S	86.7	Confident	72.3	Confident	52 Å²	52	75.6 Å²	75.6	36%	0.364	41%	0.414	S	S	.	.			trans	-66.5	158.7	167.2	68.5	0	0	0	0	111.4	R3069 E3070 A3071	S3067-R3069 VanDerWaalsContact C-N 3.27Å; S3067-R3069 PolarHBondContact O-N 2.78Å; S3067-E3070 PolarHBondContact O-N 3.14Å; S3067-E3070 VanDerWaalsContact O-N 3.08Å; S3067-E3070 WeakPolarHBondContact OG-CB 3.3Å; S3067-E3070 PolarHBondContact OG-N 3.27Å; S3067-A3071 PolarHBondContact O-N 3.08Å
3068	V	87.1	Confident	74.9	Confident	6 Å²	6	70.3 Å²	70.3	4%	0.036	39%	0.387	C	S	.	.	H	α-helix	trans	-54.4	-44.3	176.3	174.6	0	0	0	0	111.4	V2871 W2873 V2897 V2899 Y2998 E3070 A3071 I3072 L3077	V2871-V3068 HydrophobicContact CB-CG2 4.42Å; V2871-V3068 HydrophobicContact CG1-CG2 3.55Å; V2871-V3068 HydrophobicContact CG2-CG2 3.92Å; W2873-V3068 HydrophobicContact CZ2-CG2 4.24Å; V2897-V3068 HydrophobicContact CG1-CG1 4.06Å; V2897-V3068 HydrophobicContact CG2-CG2 4.17Å; V2899-V3068 HydrophobicContact CG2-CB 4Å; V2899-V3068 HydrophobicContact CG2-CG1 3.97Å; V2899-V3068 HydrophobicContact CG2-CG2 3.98Å; Y2998-V3068 HydrophobicContact CD2-CG1 4.42Å; Y2998-V3068 HydrophobicContact CE2-CG1 4.44Å; V3068-E3070 VanDerWaalsContact C-N 3.34Å; V3068-E3070 PolarHBondContact O-N 3.39Å; V3068-A3071 PolarHBondContact O-N 3.34Å; V3068-I3072 HydrophobicContact CG1-CD1 4.2Å; V3068-I3072 VanDerWaalsContact O-CG1 3.32Å; V3068-I3072 WeakPolarHBondContact O-CG1 3.46Å; V3068-I3072 PolarHBondContact O-N 2.72Å; V3068-I3072 VanDerWaalsContact O-N 3.14Å; V3068-L3077 HydrophobicContact CG1-CD2 3.77Å
3069	R	83.6	Confident	77.3	Confident	80 Å²	80	65.8 Å²	65.8	30%	0.302	36%	0.356	S	S	.	.	H	α-helix	trans	-59.9	-44.1	176.8	-174.1	-177.9	-173.6	-77.6	-5.1	111.8	Q2859 S3067 I3072 V3073	Q2859-R3069 PolarHBondContact O-NH1 3.07Å; Q2859-R3069 VanDerWaalsContact O-NH1 3.11Å; Q2859-R3069 PolarHBondContact O-NH2 2.99Å; S3067-R3069 VanDerWaalsContact C-N 3.27Å; S3067-R3069 PolarHBondContact O-N 2.78Å; R3069-I3072 PolarHBondContact O-N 3.16Å; R3069-V3073 WeakPolarHBondContact O-CG2 3.37Å; R3069-V3073 PolarHBondContact O-N 3.11Å
3070	E	82.7	Confident	79.5	Confident	61 Å²	61	64 Å²	64	29%	0.285	33%	0.334	S	S	.	.	H	α-helix	trans	-72.8	-38.8	-178.3	-177.3	170.5	-153.8	0	0	112.8	L3066 S3067 V3068 I3072 V3073 R3074	L3066-E3070 HydrophobicContact CB-CB 4.37Å; L3066-E3070 HydrophobicContact CB-CG 4.27Å; L3066-E3070 HydrophobicContact CD1-CG 4.45Å; L3066-E3070 HydrophobicContact CD2-CG 4.05Å; L3066-E3070 HydrophobicContact CG-CG 4.49Å; S3067-E3070 PolarHBondContact O-N 3.14Å; S3067-E3070 VanDerWaalsContact O-N 3.08Å; S3067-E3070 WeakPolarHBondContact OG-CB 3.3Å; S3067-E3070 PolarHBondContact OG-N 3.27Å; V3068-E3070 VanDerWaalsContact C-N 3.34Å; V3068-E3070 PolarHBondContact O-N 3.39Å; E3070-I3072 PolarHBondContact O-N 3.11Å; E3070-V3073 PolarHBondContact O-N 3.07Å; E3070-R3074 HydrophobicContact CG-CG 4.36Å; E3070-R3074 WeakPolarHBondContact O-CB 3.43Å; E3070-R3074 WeakPolarHBondContact O-CG 3.45Å; E3070-R3074 PolarHBondContact O-N 3.46Å; E3070-R3074 IonicContact OE1-CZ 2.76Å; E3070-R3074 IonicContact OE1-NE 2.81Å; E3070-R3074 PolarHBondContact OE1-NE 2.98Å; E3070-R3074 IonicContact OE1-NH2 3.14Å; E3070-R3074 PolarHBondContact OE1-NH2 2.9Å
3071	A	87.6	Confident	81.4	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-61.1	-32.7	172.5	0	0	0	0	0	112	M3035 L3066 S3067 V3068 G3075 F3076 L3077	M3035-A3071 HydrophobicContact CB-CB 4.41Å; M3035-A3071 HydrophobicContact CG-CB 4.4Å; M3035-A3071 HydrophobicContact SD-CB 3.5Å; M3035-A3071 VanDerWaalsContact SD-CB 3.5Å; L3066-A3071 HydrophobicContact CB-CB 4.42Å; S3067-A3071 PolarHBondContact O-N 3.08Å; V3068-A3071 PolarHBondContact O-N 3.34Å; A3071-G3075 PolarHBondContact O-N 3.47Å; A3071-F3076 PolarHBondContact O-N 3.23Å; A3071-L3077 HydrophobicContact CB-CB 3.78Å; A3071-L3077 PolarHBondContact O-N 2.82Å
3072	I	87.5	Confident	83.1	Confident	51 Å²	51	61 Å²	61	26%	0.262	31%	0.311	S	S	.	.	H	α-helix	trans	-68.5	-50.2	171.1	-65.7	163.2	0	0	0	110.9	Y2998 V3068 R3069 E3070 R3074 G3075 L3077 A3079	Y2998-I3072 HydrophobicContact CD1-CD1 4.07Å; Y2998-I3072 HydrophobicContact CE1-CD1 4.1Å; V3068-I3072 HydrophobicContact CG1-CD1 4.2Å; V3068-I3072 VanDerWaalsContact O-CG1 3.32Å; V3068-I3072 WeakPolarHBondContact O-CG1 3.46Å; V3068-I3072 PolarHBondContact O-N 2.72Å; V3068-I3072 VanDerWaalsContact O-N 3.14Å; R3069-I3072 PolarHBondContact O-N 3.16Å; E3070-I3072 PolarHBondContact O-N 3.11Å; I3072-R3074 VanDerWaalsContact C-N 3.31Å; I3072-R3074 PolarHBondContact O-N 2.83Å; I3072-G3075 PolarHBondContact O-N 3.25Å; I3072-L3077 WeakPolarHBondContact CA-O 3.29Å; I3072-L3077 HydrophobicContact CD1-CD2 4.27Å; I3072-L3077 HydrophobicContact CG1-CB 4.06Å; I3072-L3077 HydrophobicContact CG1-CD2 3.89Å; I3072-L3077 HydrophobicContact CG1-CG 3.96Å; I3072-L3077 WeakPolarHBondContact CG1-O 3.25Å; I3072-A3079 HydrophobicContact CD1-CB 4.21Å; I3072-A3079 HydrophobicContact CG1-CB 4.4Å
3073	V	84.2	Confident	83.9	Confident	103 Å²	103	57.2 Å²	57.2	62%	0.624	29%	0.293	S	S	*	.	H	α-helix	trans	-60.3	-39.1	180	170.6	0	0	0	0	112.1	R3069 E3070 G3075	R3069-V3073 WeakPolarHBondContact O-CG2 3.37Å; R3069-V3073 PolarHBondContact O-N 3.11Å; E3070-V3073 PolarHBondContact O-N 3.07Å; V3073-G3075 VanDerWaalsContact C-N 3.27Å; V3073-G3075 PolarHBondContact O-N 3.11Å
3074	R	82.8	Confident	83.8	Confident	102 Å²	102	57.3 Å²	57.3	39%	0.385	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-2.7	175.6	-59.7	-168.4	-164.5	-167	7.7	113.8	E3064 E3070 I3072 F3076	E3064-R3074 IonicContact OE1-CZ 2.89Å; E3064-R3074 VanDerWaalsContact OE1-CZ 3.26Å; E3064-R3074 IonicContact OE1-NH1 3.47Å; E3064-R3074 PolarHBondContact OE1-NH1 2.75Å; E3064-R3074 IonicContact OE1-NH2 3.52Å; E3064-R3074 PolarHBondContact OE1-NH2 3.2Å; E3064-R3074 IonicContact OE2-CZ 2.94Å; E3064-R3074 IonicContact OE2-NH1 2.74Å; E3064-R3074 PolarHBondContact OE2-NH1 3.14Å; E3064-R3074 IonicContact OE2-NH2 3.59Å; E3070-R3074 HydrophobicContact CG-CG 4.36Å; E3070-R3074 WeakPolarHBondContact O-CB 3.43Å; E3070-R3074 WeakPolarHBondContact O-CG 3.45Å; E3070-R3074 PolarHBondContact O-N 3.46Å; E3070-R3074 IonicContact OE1-CZ 2.76Å; E3070-R3074 IonicContact OE1-NE 2.81Å; E3070-R3074 PolarHBondContact OE1-NE 2.98Å; E3070-R3074 IonicContact OE1-NH2 3.14Å; E3070-R3074 PolarHBondContact OE1-NH2 2.9Å; I3072-R3074 VanDerWaalsContact C-N 3.31Å; I3072-R3074 PolarHBondContact O-N 2.83Å; R3074-F3076 VanDerWaalsContact C-N 3.31Å; R3074-F3076 HydrophobicContact CB-CD2 3.65Å; R3074-F3076 HydrophobicContact CB-CE2 3.69Å; R3074-F3076 HydrophobicContact CG-CE2 4.48Å; R3074-F3076 PolarHBondContact O-N 3.35Å
3075	G	84.4	Confident	82.9	Confident	34 Å²	34	56.3 Å²	56.3	35%	0.351	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.7	8.7	175	0	0	0	0	0	116	A3071 I3072 V3073	A3071-G3075 PolarHBondContact O-N 3.47Å; I3072-G3075 PolarHBondContact O-N 3.25Å; V3073-G3075 VanDerWaalsContact C-N 3.27Å; V3073-G3075 PolarHBondContact O-N 3.11Å
3076	F	85.3	Confident	81.8	Confident	31 Å²	31	51.6 Å²	51.6	14%	0.136	28%	0.278	C	S	.	.	S	Bend	trans	-77.8	-30.8	175.3	-60.3	-58.9	0	0	0	112.8	R3004 F3037 L3066 A3071 R3074	R3004-F3076 PolarHBondContact N-O 3.04Å; F3037-F3076 HydrophobicContact CD1-CB 4.47Å; F3037-F3076 HydrophobicContact CD1-CD1 4.02Å; F3037-F3076 HydrophobicContact CD1-CD2 4.11Å; F3037-F3076 HydrophobicContact CD1-CE1 4.21Å; F3037-F3076 HydrophobicContact CD1-CE2 4.29Å; F3037-F3076 AromaticContact CD1-CG 3.97Å; F3037-F3076 HydrophobicContact CD1-CG 3.97Å; F3037-F3076 HydrophobicContact CD1-CZ 4.34Å; F3037-F3076 HydrophobicContact CD2-CD2 4.3Å; F3037-F3076 HydrophobicContact CE1-CB 3.44Å; F3037-F3076 VanDerWaalsContact CE1-CB 3.44Å; F3037-F3076 AromaticContact CE1-CD1 3.69Å; F3037-F3076 HydrophobicContact CE1-CD1 3.69Å; F3037-F3076 AromaticContact CE1-CD2 3.83Å; F3037-F3076 HydrophobicContact CE1-CD2 3.83Å; F3037-F3076 HydrophobicContact CE1-CE1 4.35Å; F3037-F3076 HydrophobicContact CE1-CE2 4.45Å; F3037-F3076 AromaticContact CE1-CG 3.4Å; F3037-F3076 HydrophobicContact CE1-CG 3.4Å; F3037-F3076 HydrophobicContact CE2-CB 4.26Å; F3037-F3076 AromaticContact CE2-CD2 4Å; F3037-F3076 HydrophobicContact CE2-CD2 4Å; F3037-F3076 HydrophobicContact CE2-CG 4.3Å; F3037-F3076 HydrophobicContact CG-CD2 4.34Å; F3037-F3076 HydrophobicContact CG-CE2 4.34Å; F3037-F3076 HydrophobicContact CZ-CB 3.3Å; F3037-F3076 HydrophobicContact CZ-CD1 4.35Å; F3037-F3076 AromaticContact CZ-CD2 3.76Å; F3037-F3076 HydrophobicContact CZ-CD2 3.76Å; F3037-F3076 AromaticContact CZ-CG 3.59Å; F3037-F3076 HydrophobicContact CZ-CG 3.59Å; L3066-F3076 HydrophobicContact CD1-CD2 3.68Å; L3066-F3076 HydrophobicContact CD1-CE2 3.8Å; A3071-F3076 PolarHBondContact O-N 3.23Å; R3074-F3076 VanDerWaalsContact C-N 3.31Å; R3074-F3076 HydrophobicContact CB-CD2 3.65Å; R3074-F3076 HydrophobicContact CB-CE2 3.69Å; R3074-F3076 HydrophobicContact CG-CE2 4.48Å; R3074-F3076 PolarHBondContact O-N 3.35Å
3077	L	89.1	Confident	80.4	Confident	2 Å²	2	53.4 Å²	53.4	1%	0.01	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	110.8	173	-180	61.5	0	0	0	109.2	W2873 V3000 I3003 M3035 V3068 A3071 I3072 A3079	W2873-L3077 HydrophobicContact CH2-CD1 3.97Å; W2873-L3077 HydrophobicContact CH2-CD2 3.83Å; W2873-L3077 HydrophobicContact CZ3-CD1 4.09Å; W2873-L3077 HydrophobicContact CZ3-CD2 4.49Å; V3000-L3077 HydrophobicContact CG1-CD1 3.78Å; V3000-L3077 HydrophobicContact CG2-CD1 4.28Å; I3003-L3077 HydrophobicContact CD1-CD1 4.35Å; I3003-L3077 HydrophobicContact CG1-CD1 3.65Å; M3035-L3077 HydrophobicContact CE-CB 4.4Å; M3035-L3077 HydrophobicContact SD-CB 3.82Å; M3035-L3077 HydrophobicContact SD-CD1 4.3Å; M3035-L3077 HydrophobicContact SD-CD2 4.01Å; M3035-L3077 HydrophobicContact SD-CG 4.27Å; V3068-L3077 HydrophobicContact CG1-CD2 3.77Å; A3071-L3077 HydrophobicContact CB-CB 3.78Å; A3071-L3077 PolarHBondContact O-N 2.82Å; I3072-L3077 WeakPolarHBondContact CA-O 3.29Å; I3072-L3077 HydrophobicContact CD1-CD2 4.27Å; I3072-L3077 HydrophobicContact CG1-CB 4.06Å; I3072-L3077 HydrophobicContact CG1-CD2 3.89Å; I3072-L3077 HydrophobicContact CG1-CG 3.96Å; I3072-L3077 WeakPolarHBondContact CG1-O 3.25Å; L3077-A3079 HydrophobicContact CD1-CB 4.44Å; L3077-A3079 HydrophobicContact CD2-CB 4.42Å; L3077-A3079 HydrophobicContact CG-CB 4.04Å; L3077-A3079 PolarHBondContact O-N 2.83Å
3078	V	88.8	Confident	78.5	Confident	47 Å²	47	54.3 Å²	54.3	29%	0.285	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	105.9	170.1	-171.8	0	0	0	0	107.6	H3001 S3002 R3004	H3001-V3078 HydrophobicContact CB-CB 4.3Å; H3001-V3078 HydrophobicContact CB-CG1 3.99Å; H3001-V3078 WeakPolarHBondContact CB-O 3.43Å; H3001-V3078 PolarHBondContact N-O 3.29Å; S3002-V3078 PolarHBondContact N-O 3.16Å; S3002-V3078 PolarHBondContact O-N 2.95Å; S3002-V3078 WeakPolarHBondContact OG-CB 3.38Å; S3002-V3078 VanDerWaalsContact OG-CG2 3.3Å; S3002-V3078 WeakPolarHBondContact OG-CG2 3.44Å; R3004-V3078 VanDerWaalsContact CZ-CG2 3.5Å
3079	A	89.8	Confident	76.6	Confident	22 Å²	22	59.7 Å²	59.7	18%	0.182	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	152.9	179.1	0	0	0	0	0	112.8	L2999 V3000 I3072 L3077	L2999-A3079 CarbonylContact O-C 3.58Å; L2999-A3079 WeakPolarHBondContact O-CA 3.4Å; L2999-A3079 WeakPolarHBondContact O-CB 3.44Å; V3000-A3079 HydrophobicContact CG2-CB 4.49Å; I3072-A3079 HydrophobicContact CD1-CB 4.21Å; I3072-A3079 HydrophobicContact CG1-CB 4.4Å; L3077-A3079 HydrophobicContact CD1-CB 4.44Å; L3077-A3079 HydrophobicContact CD2-CB 4.42Å; L3077-A3079 HydrophobicContact CG-CB 4.04Å; L3077-A3079 PolarHBondContact O-N 2.83Å
3080	E	86.8	Confident	74.6	Confident	87 Å²	87	60 Å²	60	41%	0.407	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	130.9	-177.8	177.9	-176.9	-165.7	0	0	110.1	Y2998 L2999 H3001 I3082	Y2998-E3080 CarbonylContact C-O 3.54Å; Y2998-E3080 VanDerWaalsContact CA-O 3.24Å; Y2998-E3080 WeakPolarHBondContact CA-O 3.34Å; L2999-E3080 HydrophobicContact CB-CB 4.38Å; L2999-E3080 PolarHBondContact N-O 3.22Å; L2999-E3080 PolarHBondContact O-N 2.94Å; H3001-E3080 IonicContact CE1-OE2 2.68Å; H3001-E3080 PolarHBondContact CE1-OE2 3.46Å; E3080-I3082 PolarHBondContact O-N 3.43Å
3081	L	85.2	Confident	72.5	Confident	79 Å²	79	65 Å²	65	41%	0.414	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	114.5	179.4	-175.2	69.1	0	0	0	111	Y2998 P3084	Y2998-L3081 HydrophobicContact CD1-CB 3.98Å; Y2998-L3081 HydrophobicContact CD1-CD1 3.86Å; Y2998-L3081 HydrophobicContact CD2-CD1 4.47Å; Y2998-L3081 HydrophobicContact CE1-CB 4.06Å; Y2998-L3081 HydrophobicContact CE1-CD1 3.62Å; Y2998-L3081 HydrophobicContact CE1-CG 4.37Å; Y2998-L3081 HydrophobicContact CE2-CD1 4.25Å; Y2998-L3081 HydrophobicContact CG-CD1 4.28Å; L3081-P3084 HydrophobicContact CD2-CB 3.91Å
3082	I	82.9	Confident	70.3	Confident	83 Å²	83	72.1 Å²	72.1	43%	0.426	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	-50.1	178.4	-48.9	166.4	0	0	0	110.9	E2896 R2997 L2999 E3080	E2896-I3082 HydrophobicContact CG-CD1 4.37Å; R2997-I3082 HydrophobicContact CG-CD1 4.12Å; R2997-I3082 PolarHBondContact O-N 2.98Å; L2999-I3082 HydrophobicContact CB-CD1 3.73Å; L2999-I3082 HydrophobicContact CB-CG1 3.73Å; L2999-I3082 HydrophobicContact CD1-CD1 4.05Å; L2999-I3082 HydrophobicContact CG-CD1 4.48Å; E3080-I3082 PolarHBondContact O-N 3.43Å
3083	E	72	Confident	67.6	Low	62 Å²	62	74.6 Å²	74.6	29%	0.29	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	110.1	-178.2	-166.2	-178.6	138	0	0	108.3	R2997 S3086	R2997-E3083 HydrophobicContact CB-CB 4Å; R2997-E3083 IonicContact CZ-OE2 3.8Å; R2997-E3083 PolarHBondContact N-O 3.5Å; R2997-E3083 IonicContact NH1-OE2 3.21Å; R2997-E3083 PolarHBondContact NH1-OE2 3.41Å; R2997-E3083 IonicContact NH2-OE2 3.73Å; R2997-E3083 PolarHBondContact NH2-OE2 3.38Å; R2997-E3083 PolarHBondContact O-N 3.19Å; E3083-S3086 VanDerWaalsContact OE1-CB 3.26Å; E3083-S3086 WeakPolarHBondContact OE1-CB 3.29Å; E3083-S3086 PolarHBondContact OE1-OG 2.84Å
3084	P	66.7	Low	65.1	Low	83 Å²	83	76.9 Å²	76.9	54%	0.539	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	132.2	175.4	31.2	-32.7	0	0	0	110.5	L3081 S3086	L3081-P3084 HydrophobicContact CD2-CB 3.91Å; P3084-S3086 PolarHBondContact O-N 2.72Å
3085	E	61.5	Low	62.6	Low	61 Å²	61	77.7 Å²	77.7	29%	0.285	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	21.5	66.4	163.3	-64.3	-177	177.1	0	0	116.2	E2852 Q2994 R2995 S2996 S3087	E2852-E3085 WeakPolarHBondContact CB-OE2 3.42Å; E2852-E3085 WeakPolarHBondContact CG-OE2 3.47Å; Q2994-E3085 HydrophobicContact CB-CB 4.19Å; Q2994-E3085 HydrophobicContact CB-CG 4.24Å; Q2994-E3085 PolarHBondContact OE1-OE2 2.58Å; R2995-E3085 VanDerWaalsContact O-CA 3.28Å; R2995-E3085 WeakPolarHBondContact O-CA 3.28Å; R2995-E3085 PolarHBondContact O-N 3.43Å; S2996-E3085 WeakPolarHBondContact OG-CG 3.47Å; S2996-E3085 PolarHBondContact OG-N 3.15Å; E3085-S3087 PolarHBondContact O-N 2.94Å
3086	S	58.9	Low	60.1	Low	38 Å²	38	83.5 Å²	83.5	27%	0.266	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	121.2	167.8	53.5	0	0	0	0	109.1	R2995 E3083 P3084 Y3088	R2995-S3086 PolarHBondContact N-O 2.95Å; R2995-S3086 PolarHBondContact O-N 2.96Å; E3083-S3086 VanDerWaalsContact OE1-CB 3.26Å; E3083-S3086 WeakPolarHBondContact OE1-CB 3.29Å; E3083-S3086 PolarHBondContact OE1-OG 2.84Å; P3084-S3086 PolarHBondContact O-N 2.72Å; S3086-Y3088 PolarHBondContact O-N 3.24Å
3087	S	54.4	Low	57.6	Low	37 Å²	37	89 Å²	89	26%	0.259	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55	95.7	169.2	-77.7	0	0	0	0	109.4	K2518 E2992 E3085 I3089	K2518-S3087 PolarHBondContact NZ-OG 3.16Å; E2992-S3087 VanDerWaalsContact CD-OG 3.29Å; E2992-S3087 WeakPolarHBondContact OE2-CB 3.15Å; E2992-S3087 PolarHBondContact OE2-OG 2.95Å; E3085-S3087 PolarHBondContact O-N 2.94Å; S3087-I3089 PolarHBondContact O-N 3.45Å
3088	Y	47.6	Very low	55	Low	72 Å²	72	93.6 Å²	93.6	28%	0.282	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	89.9	-179.5	120.6	-118	0	0	0	108.5	I2993 S3086 T3090	I2993-Y3088 HydrophobicContact CB-CD1 3.69Å; I2993-Y3088 HydrophobicContact CB-CE1 3.52Å; I2993-Y3088 HydrophobicContact CD1-CE1 4.06Å; I2993-Y3088 HydrophobicContact CG1-CE1 4.33Å; I2993-Y3088 HydrophobicContact CG2-CD1 3.78Å; I2993-Y3088 HydrophobicContact CG2-CE1 3.61Å; I2993-Y3088 WeakPolarHBondContact O-CD1 3.44Å; I2993-Y3088 PolarHBondContact O-N 3.23Å; S3086-Y3088 PolarHBondContact O-N 3.24Å; Y3088-T3090 HydrophobicContact CE2-CG2 4.18Å; Y3088-T3090 WeakPolarHBondContact CE2-OG1 3.18Å; Y3088-T3090 PolarHBondContact O-N 3.35Å
3089	I	46.4	Very low	52.2	Low	119 Å²	119	95.8 Å²	95.8	61%	0.61	52%	0.516	S	S	*	.			trans	-66.3	120.6	163.1	-65.3	177	0	0	0	107	S3087 K3091	S3087-I3089 PolarHBondContact O-N 3.45Å; I3089-K3091 HydrophobicContact CG2-CG 4.22Å; I3089-K3091 PolarHBondContact O-N 3.25Å
3090	T	41.2	Very low	49.4	Very low	85 Å²	85	100.5 Å²	100.5	52%	0.521	55%	0.547	S	S	.	.			trans	-69.1	75.5	173.9	-37.2	0	0	0	0	110.5	Y3088 Q3092	Y3088-T3090 HydrophobicContact CE2-CG2 4.18Å; Y3088-T3090 WeakPolarHBondContact CE2-OG1 3.18Å; Y3088-T3090 PolarHBondContact O-N 3.35Å; T3090-Q3092 VanDerWaalsContact C-N 3.32Å; T3090-Q3092 HydrophobicContact CG2-CG 4.3Å; T3090-Q3092 PolarHBondContact O-N 3.27Å
3091	K	39.6	Very low	46.9	Very low	167 Å²	167	101.7 Å²	101.7	73%	0.726	56%	0.56	S	S	*	*			trans	-64.6	93.2	169.7	-75.8	-155.5	170.3	-142.9	0	109.1	I3089 S3093	I3089-K3091 HydrophobicContact CG2-CG 4.22Å; I3089-K3091 PolarHBondContact O-N 3.25Å; K3091-S3093 PolarHBondContact O-N 3.41Å; K3091-S3093 VanDerWaalsContact O-N 3.08Å
3092	Q	40.3	Very low	44.2	Very low	150 Å²	150	103.2 Å²	103.2	70%	0.701	58%	0.577	S	S	*	*			trans	-65.9	109	-179.5	-73.2	-174.7	-18.4	0	0	110.6	T3090	T3090-Q3092 VanDerWaalsContact C-N 3.32Å; T3090-Q3092 HydrophobicContact CG2-CG 4.3Å; T3090-Q3092 PolarHBondContact O-N 3.27Å
3093	S	31.7	Very low	41.7	Very low	102 Å²	102	109.7 Å²	109.7	71%	0.713	60%	0.598	S	S	*	*			trans	48.9	79.3	151	57.3	0	0	0	0	118.3	K3091	K3091-S3093 PolarHBondContact O-N 3.41Å; K3091-S3093 VanDerWaalsContact O-N 3.08Å
3094	L	31.3	Very low	39.7	Very low	152 Å²	152	110.8 Å²	110.8	80%	0.796	61%	0.613	S	S	*	*			trans	-131.2	109.2	141.9	-94.9	174.7	0	0	0	109.8	F3096	L3094-F3096 VanDerWaalsContact C-N 3.27Å; L3094-F3096 PolarHBondContact O-N 3.42Å
3095	P	30.6	Very low	38.3	Very low	119 Å²	119	114.6 Å²	114.6	77%	0.773	62%	0.623	S	S	*	*			trans	-80	72.7	-177.8	33.2	-35.1	0	0	0	110.6	I3097	P3095-I3097 PolarHBondContact O-N 2.79Å
3096	F	32.1	Very low	36.9	Very low	156 Å²	156	116.7 Å²	116.7	68%	0.684	65%	0.645	S	S	*	*			trans	-75.1	96.7	-179.6	-153.5	-69.9	0	0	0	111.1	L3094 V3098	L3094-F3096 VanDerWaalsContact C-N 3.27Å; L3094-F3096 PolarHBondContact O-N 3.42Å; F3096-V3098 HydrophobicContact CD1-CG2 3.58Å; F3096-V3098 HydrophobicContact CE1-CG2 3.93Å; F3096-V3098 PolarHBondContact O-N 3.2Å
3097	I	33.2	Very low	35.8	Very low	146 Å²	146	120.6 Å²	120.6	75%	0.749	67%	0.669	S	S	*	*			trans	-68.7	96.7	169.6	-57.5	173.5	0	0	0	108.2	P3095 P3099	P3095-I3097 PolarHBondContact O-N 2.79Å; I3097-P3099 WeakPolarHBondContact O-CD 3.47Å
3098	V	33.9	Very low	34.8	Very low	99 Å²	99	125.1 Å²	125.1	60%	0.6	70%	0.695	S	S	*	*			trans	-86.5	116.2	159.7	-174.1	0	0	0	0	107.5	F3096 S3100	F3096-V3098 HydrophobicContact CD1-CG2 3.58Å; F3096-V3098 HydrophobicContact CE1-CG2 3.93Å; F3096-V3098 PolarHBondContact O-N 3.2Å; V3098-S3100 PolarHBondContact O-N 3.45Å
3099	P	31.2	Very low	34.1	Very low	93 Å²	93	129 Å²	129	60%	0.604	72%	0.721	S	S	*	*			trans	-69	111.4	166.4	-14	30.2	0	0	0	108.2	I3097 T3101	I3097-P3099 WeakPolarHBondContact O-CD 3.47Å; P3099-T3101 HydrophobicContact CB-CG2 4.46Å; P3099-T3101 PolarHBondContact O-N 3.16Å
3100	S	30.5	Very low	33.5	Very low	120 Å²	120	129.1 Å²	129.1	84%	0.839	73%	0.727	S	S	*	*			trans	-72.4	64.4	177.5	-60.9	0	0	0	0	112.1	V3098 S3102	V3098-S3100 PolarHBondContact O-N 3.45Å; S3100-S3102 PolarHBondContact O-N 3.35Å; S3100-S3102 VanDerWaalsContact O-N 3.13Å
3101	T	33.1	Very low	33.1	Very low	112 Å²	112	132.3 Å²	132.3	69%	0.687	74%	0.741	S	S	*	*			trans	-77.6	93.4	172.3	54	0	0	0	0	109.6	P3099 Y3103	P3099-T3101 HydrophobicContact CB-CG2 4.46Å; P3099-T3101 PolarHBondContact O-N 3.16Å; T3101-Y3103 PolarHBondContact O-N 3.28Å
3102	S	28.5	Very low	32.8	Very low	111 Å²	111	134.4 Å²	134.4	78%	0.776	76%	0.758	S	S	*	*			trans	-56	127.1	174.6	54.6	0	0	0	0	112.1	S3100	S3100-S3102 PolarHBondContact O-N 3.35Å; S3100-S3102 VanDerWaalsContact O-N 3.13Å
3103	Y	31	Very low	32.5	Very low	219 Å²	219	133.7 Å²	133.7	86%	0.859	76%	0.761	S	S	*	*			trans	-131.1	136.4	160.4	-93.6	-82.2	0	0	0	110.4	T3101	T3101-Y3103 PolarHBondContact O-N 3.28Å
3104	S	30	Very low	32.5	Very low	85 Å²	85	135.3 Å²	135.3	59%	0.594	76%	0.763	S	S	*	*			trans	-88.6	179.3	179.2	43	0	0	0	0	112.2
3105	H	36.8	Very low	32.6	Very low	163 Å²	163	134.4 Å²	134.4	76%	0.755	76%	0.761	S	S	*	*			trans	86.3	89.1	170.3	-44.9	-69	0	0	0	116.9
3106	S	32.2	Very low	32.7	Very low	106 Å²	106	135.3 Å²	135.3	74%	0.741	76%	0.761	S	S	*	*				41.6	143.2	115.7	61.3	0	0	0	0	120.6
3107	P	35.8	Very low	32.7	Very low	119 Å²	119	134 Å²	134	77%	0.773	77%	0.765	S	S	*	*			cis	-134.2	161.4	32.2	39.8	-23.7	0	0	0	117.7
3108	T	34	Very low	32.7	Very low	133 Å²	133	133.2 Å²	133.2	82%	0.816	77%	0.766	S	S	*	*			trans	-48.1	140.9	153.2	40.5	0	0	0	0	113.3
3109	D	32.3	Very low	32.6	Very low	152 Å²	152	135.6 Å²	135.6	81%	0.813	78%	0.778	S	S	*	*				-159.6	158	116	-144	-11	0	0	0	113.6
3110	V	34.2	Very low	32.7	Very low	123 Å²	123	138.9 Å²	138.9	75%	0.745	79%	0.792	S	S	*	*			trans	59	124	166.8	-156.8	0	0	0	0	120.8
3111	D	32.8	Very low	32.9	Very low	151 Å²	151	140.5 Å²	140.5	81%	0.807	79%	0.788	S	S	*	*			trans	-74.2	154.8	175.7	-46	-82.3	0	0	0	115.4
3112	I	34.1	Very low	32.9	Very low	212 Å²	212	143.1 Å²	143.1	100%	1.087	80%	0.797	S	S	*	*				-160.1	0	125.2	-96.5	163.1	0	0	0	108.6

Retrieved 3,112 of 3,112 residues in 2536.7 ms (Link to these results)

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