UBA1_HUMAN Loading...

Ubiquitin-like modifier-activating enzyme 1

Catalyzes the first step in ubiquitin conjugation to mark cellular proteins for degradation through the ubiquitin-proteasome system^1,2,3. Activates ubiquitin by first adenylating its C-terminal glycine residue with ATP, and thereafter linking this residue to the side chain of a cysteine residue in E1, yielding a ubiquitin-E1 thioester and free AMP⁴. Essential for the formation of radiation-induced foci, timely DNA repair and for response to replication stress. Promotes the recruitment of TP53BP1 and BRCA1 at DNA damage sites⁵.

AlphaFold DB , UniProt , Accession P22314, Species HUMAN (Homo sapiens, Human), Gene UBA1, Length 1,058 aa.

						>UBA1_HUMAN|P22314|UBA1
MSSSPLSKKRRVSGPDPKPGSNCSPAQSVLSEVPSVPTNGMAKNGSEADIDEGLYSRQLYVLGHEAMKRLQTSSVLVSGLRGLGVEIAKNIILGGVKAVTLHDQGTAQWADLSSQFYLREEDIGKNRAEVSQPRLAELNSYVPVTAYTGPLVEDFLSGFQVVVLTNTPLEDQLRVGEFCHNRGIKLVVADTRGLFGQLFCDFGEEMILTDSNGEQPLSAMVSMVTKDNPGVVTCLDEARHGFESGDFVSFSEVQGMVELNGNQPMEIKVLGPYTFSICDTSNFSDYIRGGIVSQVKVPKKISFKSLVASLAEPDFVVTDFAKFSRPAQLHIGFQALHQFCAQHGRPPRPRNEEDAAELVALAQAVNARALPAVQQNNLDEDLIRKLAYVAAGDLAPINAFIGGLAAQEVMKACSGKFMPIMQWLYFDALECLPEDKEVLTEDKCLQRQNRYDGQVAVFGSDLQEKLGKQKYFLVGAGAIGCELLKNFAMIGLGCGEGGEIIVTDMDTIEKSNLNRQFLFRPWDVTKLKSDTAAAAVRQMNPHIRVTSHQNRVGPDTERIYDDDFFQNLDGVANALDNVDARMYMDRRCVYYRKPLLESGTLGTKGNVQVVIPFLTESYSSSQDPPEKSIPICTLKNFPNAIEHTLQWARDEFEGLFKQPAENVNQYLTDPKFVERTLRLAGTQPLEVLEAVQRSLVLQRPQTWADCVTWACHHWHTQYSNNIRQLLHNFPPDQLTSSGAPFWSGPKRCPHPLTFDVNNPLHLDYVMAAANLFAQTYGLTGSQDRAAVATFLQSVQVPEFTPKSGVKIHVSDQELQSANASVDDSRLEELKATLPSPDKLPGFKMYPIDFEKDDDSNFHMDFIVAASNLRAENYDIPSADRHKSKLIAGKIIPAIATTTAAVVGLVCLELYKVVQGHRQLDSYKNGFLNLALPFFGFSEPLAAPRHQYYNQEWTLWDRFEVQGLQPNGEEMTLKQFLDYFKTEHKLEITMLSQGVSMLYSFFMPAAKLKERLDQPMTEIVSRVSKRKLGRHVRALVLELCCNDESGEDVEVPYVRYTIR
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE 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	27.9	Very low	37.4	Very low	246 Å²	246	173.8 Å²	173.8	100%	1.212	89%	0.892	S	S	*	*				0	107	0	-68.3	-169.9	-157.9	0	0	108.8
2	S	34.8	Very low	37.9	Very low	126 Å²	126	170.5 Å²	170.5	88%	0.881	89%	0.886	S	S	*	*			trans	166.3	98.6	148.6	59.8	0	0	0	0	108.4
3	S	31.8	Very low	38	Very low	111 Å²	111	166.2 Å²	166.2	78%	0.776	88%	0.879	S	S	*	*			trans	-72.2	141.1	169.4	46.8	0	0	0	0	111.5
4	S	41.7	Very low	38.4	Very low	125 Å²	125	159.8 Å²	159.8	87%	0.874	87%	0.873	S	S	*	*			trans	-160.9	120.7	153.5	-82.8	0	0	0	0	111.6
5	P	45.3	Very low	38.6	Very low	116 Å²	116	156.8 Å²	156.8	75%	0.753	86%	0.864	S	S	*	*			trans	-113.4	152.1	161.3	36.1	-25	0	0	0	111.5
6	L	37.4	Very low	38.6	Very low	168 Å²	168	156.4 Å²	156.4	88%	0.88	86%	0.86	S	S	*	*			trans	153.4	126.7	138.5	-84.3	160.6	0	0	0	113.6
7	S	39.6	Very low	39.1	Very low	109 Å²	109	153.1 Å²	153.1	76%	0.762	85%	0.848	S	S	*	*			trans	151.7	143.9	133.3	60.2	0	0	0	0	110
8	K	40.9	Very low	39.2	Very low	208 Å²	208	155.3 Å²	155.3	90%	0.904	85%	0.848	S	S	*	*			cis	-163.2	144.9	-2.9	-113.4	170.2	-177.8	172.4	0	107.1
9	K	35.8	Very low	39.6	Very low	208 Å²	208	153.8 Å²	153.8	90%	0.904	85%	0.846	S	S	*	*			trans	-69	151.6	171.5	-74.4	174	173	173	0	113
10	R	41	Very low	39.5	Very low	257 Å²	257	150 Å²	150	97%	0.97	84%	0.844	S	S	*	*			trans	-152.9	139.7	133.5	-126.4	177.5	-179.7	-175.3	-0.7	112.2
11	R	35.2	Very low	39.5	Very low	238 Å²	238	147.6 Å²	147.6	90%	0.898	84%	0.837	S	S	*	*			trans	-135	138.6	-171.5	-144.9	-165.8	-163.7	-171.3	3.4	107.2
12	V	43.5	Very low	39.9	Very low	134 Å²	134	142.7 Å²	142.7	81%	0.812	82%	0.816	S	S	*	*			trans	-166.1	104	153.5	-176.8	0	0	0	0	104.9
13	S	39.4	Very low	39.9	Very low	114 Å²	114	143 Å²	143	80%	0.797	82%	0.816	S	S	*	*				77.2	118.1	64.7	72.1	0	0	0	0	116.7
14	G	42.9	Very low	40.1	Very low	77 Å²	77	143.1 Å²	143.1	79%	0.794	82%	0.817	S	S	*	*			trans	164.3	115.3	158.5	0	0	0	0	0	114.4
15	P	42.1	Very low	40.1	Very low	115 Å²	115	143.1 Å²	143.1	75%	0.747	81%	0.814	S	S	*	*			trans	-118.2	166.3	-177.7	38.6	-26.5	0	0	0	116.8
16	D	38.6	Very low	39.7	Very low	150 Å²	150	142.5 Å²	142.5	80%	0.802	82%	0.819	S	S	*	*			trans	88.3	158.7	145.9	-84.8	-13.2	0	0	0	122.2
17	P	47.9	Very low	39.4	Very low	100 Å²	100	144.4 Å²	144.4	65%	0.649	82%	0.823	S	S	*	*				-143.5	-173	-82.7	35.2	-9.8	0	0	0	116.6
18	K	40.9	Very low	39.2	Very low	194 Å²	194	144.1 Å²	144.1	84%	0.843	82%	0.821	S	S	*	*			trans	87.5	163.7	154.4	-70.6	-167.9	-178.9	-179.6	0	120.8
19	P	45.3	Very low	38.7	Very low	126 Å²	126	141.2 Å²	141.2	82%	0.818	82%	0.821	S	S	*	*				-140.6	177.6	-80.4	36.1	-12.2	0	0	0	116.2
20	G	38.8	Very low	38.5	Very low	78 Å²	78	138.6 Å²	138.6	80%	0.804	82%	0.816	S	S	*	*			trans	110.6	151.6	159.7	0	0	0	0	0	115.4
21	S	39	Very low	38.1	Very low	99 Å²	99	131.6 Å²	131.6	69%	0.692	81%	0.806	S	S	*	*			cis	-175.7	134.5	-7.3	161	0	0	0	0	107.6
22	N	35.9	Very low	37.8	Very low	144 Å²	144	129.3 Å²	129.3	77%	0.77	81%	0.806	S	S	*	*			trans	62.4	116.8	150.7	-61.3	-13	0	0	0	122.7
23	C	35.4	Very low	37.3	Very low	131 Å²	131	129 Å²	129	89%	0.885	80%	0.804	S	S	*	*				177.5	127.8	98.1	-85	0	0	0	0	112.9
24	S	36.5	Very low	36.9	Very low	115 Å²	115	128.8 Å²	128.8	80%	0.804	80%	0.8	S	S	*	*			trans	-73.3	-170	174.6	-36	0	0	0	0	113.1
25	P	41.2	Very low	36.2	Very low	124 Å²	124	130.7 Å²	130.7	81%	0.805	80%	0.801	S	S	*	*			cis	-140.3	160.4	-5.5	37.7	-18.4	0	0	0	116.5
26	A	37.3	Very low	35.6	Very low	103 Å²	103	131.2 Å²	131.2	85%	0.851	80%	0.802	S	S	*	*			trans	-177.4	108.4	142	0	0	0	0	0	110.1
27	Q	30.5	Very low	35.2	Very low	208 Å²	208	129 Å²	129	97%	0.972	80%	0.796	S	S	*	*			trans	-87.1	118.3	-179.8	-78.3	173.3	-36.6	0	0	110.9
28	S	35.6	Very low	34.3	Very low	104 Å²	104	130.9 Å²	130.9	73%	0.727	81%	0.805	S	S	*	*			trans	-106.8	128.3	159	61.8	0	0	0	0	109.2	L30	S28-L30 PolarHBondContact O-N 3.08Å
29	V	30.5	Very low	34	Very low	146 Å²	146	124.6 Å²	124.6	89%	0.885	78%	0.781	S	S	*	*			trans	-65.7	112.2	-176.5	-177.6	0	0	0	0	110.3
30	L	32.2	Very low	33.2	Very low	154 Å²	154	122.1 Å²	122.1	81%	0.806	78%	0.778	S	S	*	*			trans	-123.2	115.7	161.8	-85.8	165.5	0	0	0	107.4	S28 E32	S28-L30 PolarHBondContact O-N 3.08Å; L30-E32 PolarHBondContact O-N 3.5Å
31	S	31.9	Very low	33.4	Very low	110 Å²	110	121 Å²	121	77%	0.769	75%	0.752	S	S	*	*			trans	-70	106	173.5	49	0	0	0	0	109.8	V33	S31-V33 PolarHBondContact O-N 3.41Å
32	E	28.6	Very low	33.1	Very low	189 Å²	189	120.7 Å²	120.7	88%	0.883	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-70.9	119.5	166.1	-74.5	-178.3	158	0	0	109.6	L30	L30-E32 PolarHBondContact O-N 3.5Å
33	V	32.7	Very low	32.9	Very low	129 Å²	129	122.4 Å²	122.4	78%	0.782	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-72.4	131.3	168.3	177.8	0	0	0	0	107.9	S31 S35	S31-V33 PolarHBondContact O-N 3.41Å; V33-S35 PolarHBondContact O-N 3.14Å
34	P	30.9	Very low	32.7	Very low	109 Å²	109	123.8 Å²	123.8	71%	0.708	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-66.7	127.3	178.8	-9.7	24.1	0	0	0	110	V36	P34-V36 PolarHBondContact O-N 3.18Å
35	S	28.6	Very low	32.2	Very low	117 Å²	117	121.3 Å²	121.3	82%	0.818	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-56.2	116.3	169.5	52.8	0	0	0	0	110.4	V33	V33-S35 PolarHBondContact O-N 3.14Å
36	V	30.4	Very low	31.5	Very low	126 Å²	126	120.6 Å²	120.6	76%	0.764	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-66	129.5	174.5	-179.4	0	0	0	0	109.1	P34 T38	P34-V36 PolarHBondContact O-N 3.18Å; V36-T38 PolarHBondContact O-N 3.37Å
37	P	28.6	Very low	31.6	Very low	103 Å²	103	122.4 Å²	122.4	67%	0.669	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-67.4	122.1	173.7	-1.5	15.6	0	0	0	108.9	N39	P37-N39 PolarHBondContact O-N 2.85Å
38	T	28.7	Very low	32.6	Very low	139 Å²	139	115.9 Å²	115.9	85%	0.853	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-63	119.1	175	43.1	0	0	0	0	110.9	V36 G40	V36-T38 PolarHBondContact O-N 3.37Å; T38-G40 PolarHBondContact O-N 2.86Å
39	N	35.5	Very low	34.5	Very low	63 Å²	63	116.6 Å²	116.6	34%	0.337	71%	0.714	S	S	.	*			trans	-57.1	115	173.7	-91.6	8.2	0	0	0	111.7	P37 D854 S855	P37-N39 PolarHBondContact O-N 2.85Å; N39-D854 PolarHBondContact ND2-O 3.26Å; N39-S855 VanDerWaalsContact ND2-CA 3.34Å; N39-S855 WeakPolarHBondContact ND2-CA 3.13Å
40	G	29.3	Very low	37.3	Very low	73 Å²	73	110.7 Å²	110.7	75%	0.753	68%	0.677	S	S	*	*			trans	-114.9	84.3	175.7	0	0	0	0	0	111.5	T38	T38-G40 PolarHBondContact O-N 2.86Å
41	M	42.6	Very low	40.2	Very low	54 Å²	54	104.8 Å²	104.8	27%	0.266	65%	0.647	S	S	.	*	S	Bend	trans	-119.5	109.2	156.5	-69.2	-167.7	178.9	0	0	107.4	K43 M766 R784	M41-K43 PolarHBondContact O-N 3.45Å; M41-M766 HydrophobicContact CE-CB 3.95Å; M41-M766 HydrophobicContact CE-CE 4.34Å; M41-M766 HydrophobicContact CE-CG 4.01Å; M41-R784 HydrophobicContact CE-CG 3.95Å; M41-R784 VanDerWaalsContact CG-NH1 3.34Å; M41-R784 PolarHBondContact SD-NH1 3.14Å
42	A	32.8	Very low	43	Very low	94 Å²	94	103.4 Å²	103.4	78%	0.777	63%	0.628	S	S	*	*			trans	34	71.4	178	0	0	0	0	0	117.3	N44	A42-N44 PolarHBondContact O-N 3.48Å; A42-N44 VanDerWaalsContact O-N 3.16Å
43	K	30.1	Very low	46	Very low	180 Å²	180	95.5 Å²	95.5	78%	0.783	60%	0.597	S	S	*	*			trans	-63.8	107.6	143.6	-80.5	-170.2	174	-169.2	0	106.7	M41 G45	M41-K43 PolarHBondContact O-N 3.45Å; K43-G45 PolarHBondContact O-N 2.88Å
44	N	31.6	Very low	48.9	Very low	160 Å²	160	90.1 Å²	90.1	86%	0.856	56%	0.564	S	S	*	*			trans	-58.5	113.3	161.9	-89.9	-17.1	0	0	0	107.2	A42	A42-N44 PolarHBondContact O-N 3.48Å; A42-N44 VanDerWaalsContact O-N 3.16Å
45	G	26.4	Very low	52.1	Low	63 Å²	63	85.1 Å²	85.1	65%	0.649	53%	0.531	S	S	*	.			trans	-67.5	148.7	-170.5	0	0	0	0	0	113.9	K43	K43-G45 PolarHBondContact O-N 2.88Å
46	S	27.5	Very low	55.1	Low	108 Å²	108	79.8 Å²	79.8	76%	0.755	49%	0.494	S	S	*	.			trans	58.6	83.2	154.7	69.2	0	0	0	0	117.5
47	E	37.7	Very low	58.2	Low	142 Å²	142	74.9 Å²	74.9	66%	0.664	46%	0.461	S	S	*	.	S	Bend	trans	-164.1	98.6	149.2	-104	-176.2	-160.7	0	0	108.5	K68	E47-K68 IonicContact OE2-NZ 2.95Å; E47-K68 PolarHBondContact OE2-NZ 2.66Å
48	A	52.8	Low	61.4	Low	71 Å²	71	70 Å²	70	59%	0.587	43%	0.43	S	S	*	.			trans	33.1	82.3	176.1	0	0	0	0	0	115.3	I50	A48-I50 PolarHBondContact O-N 3.3Å
49	D	74.6	Confident	64.7	Low	118 Å²	118	63.5 Å²	63.5	63%	0.631	39%	0.39	S	S	*	.			trans	-62.1	106.1	-169	-71.4	-3.4	0	0	0	113.4
50	I	89.8	Confident	67.5	Low	23 Å²	23	61.7 Å²	61.7	12%	0.118	38%	0.378	C	S	.	.			trans	-70.5	131	167.1	-61.9	164.1	0	0	0	109.2	A48 E52 Y55 L59 H64 M67 K68	A48-I50 PolarHBondContact O-N 3.3Å; I50-E52 PolarHBondContact O-N 3.13Å; I50-E52 VanDerWaalsContact O-N 3.07Å; I50-Y55 HydrophobicContact CG2-CD2 4.15Å; I50-L59 HydrophobicContact CD1-CD2 4.48Å; I50-L59 HydrophobicContact CG2-CD1 4.01Å; I50-L59 HydrophobicContact CG2-CD2 4.13Å; I50-H64 HydrophobicContact CD1-CB 4.16Å; I50-M67 HydrophobicContact CD1-CB 3.78Å; I50-M67 HydrophobicContact CD1-CG 3.78Å; I50-M67 HydrophobicContact CG1-CG 3.97Å; I50-M67 HydrophobicContact CG2-CG 4.04Å; I50-K68 HydrophobicContact CD1-CG 4.03Å
51	D	92.7	Very high	70.8	Confident	30 Å²	30	58.9 Å²	58.9	16%	0.16	35%	0.346	C	S	.	.			trans	-77.1	90.7	173.2	-173.6	-12.1	0	0	0	111.1	G53 L54 Y55 Y141 K510	D51-G53 PolarHBondContact O-N 3.45Å; D51-G53 WeakPolarHBondContact OD1-CA 3.45Å; D51-G53 PolarHBondContact OD1-N 2.89Å; D51-L54 HydrophobicContact CB-CB 4.29Å; D51-L54 PolarHBondContact O-N 3.21Å; D51-L54 VanDerWaalsContact O-N 3.14Å; D51-L54 PolarHBondContact OD1-N 2.85Å; D51-Y55 HydrophobicContact CB-CD2 4.43Å; D51-Y55 WeakPolarHBondContact O-CD2 3.2Å; D51-Y55 PolarHBondContact O-N 3.43Å; D51-Y141 HydrophobicContact CB-CE2 4.26Å; D51-Y141 PolarHBondContact OD2-OH 2.79Å; D51-K510 IonicContact OD1-NZ 3.83Å; D51-K510 PolarHBondContact OD1-NZ 3.48Å; D51-K510 WeakPolarHBondContact OD2-CE 3.42Å; D51-K510 IonicContact OD2-NZ 3.85Å; D51-K510 PolarHBondContact OD2-NZ 2.94Å
52	E	91.5	Very high	73.3	Confident	81 Å²	81	56.5 Å²	56.5	38%	0.379	34%	0.335	S	S	.	.	H	α-helix	trans	-59.4	-25.3	177.4	-61.7	-165.5	171.8	0	0	113	I50 S56 L59 H64 H881	I50-E52 PolarHBondContact O-N 3.13Å; I50-E52 VanDerWaalsContact O-N 3.07Å; E52-S56 WeakPolarHBondContact O-CA 3.43Å; E52-S56 WeakPolarHBondContact O-CB 3.29Å; E52-S56 PolarHBondContact O-N 2.92Å; E52-L59 HydrophobicContact CB-CD1 4.29Å; E52-L59 HydrophobicContact CG-CD1 3.92Å; E52-H64 IonicContact OE1-CD2 2.65Å; E52-H64 IonicContact OE1-CE1 2.84Å; E52-H64 IonicContact OE1-NE2 3.82Å; E52-H64 PolarHBondContact OE1-NE2 3.26Å; E52-H881 IonicContact OE2-CD2 3.01Å
53	G	90.9	Very high	76.2	Confident	23 Å²	23	53.3 Å²	53.3	24%	0.237	31%	0.311	C	S	.	.	H	α-helix	trans	-70.1	-33.1	177.4	0	0	0	0	0	113.1	D51 S511	D51-G53 PolarHBondContact O-N 3.45Å; D51-G53 WeakPolarHBondContact OD1-CA 3.45Å; D51-G53 PolarHBondContact OD1-N 2.89Å; G53-S511 WeakPolarHBondContact O-CA 3.43Å; G53-S511 PolarHBondContact O-N 3.47Å
54	L	94.7	Very high	79.2	Confident	16 Å²	16	47.5 Å²	47.5	8%	0.084	29%	0.287	C	S	.	.	H	α-helix	trans	-84.3	-49.2	174.2	177.8	61.4	0	0	0	111.5	D51 Y141 L513 N514	D51-L54 HydrophobicContact CB-CB 4.29Å; D51-L54 PolarHBondContact O-N 3.21Å; D51-L54 VanDerWaalsContact O-N 3.14Å; D51-L54 PolarHBondContact OD1-N 2.85Å; L54-Y141 HydrophobicContact CD2-CD2 3.78Å; L54-Y141 HydrophobicContact CD2-CE2 3.8Å; L54-L513 HydrophobicContact CD1-CB 3.81Å; L54-N514 HydrophobicContact CD1-CB 4.35Å; L54-N514 WeakPolarHBondContact O-CB 3.45Å
55	Y	96.4	Very high	82.2	Confident	3 Å²	3	46 Å²	46	1%	0.012	28%	0.275	C	S	.	.	H	α-helix	trans	-91.1	5.8	-171.3	-63	-73.8	0	0	0	114.5	I50 D51 R57 Q58 L59 M67 G95 N139 N514	I50-Y55 HydrophobicContact CG2-CD2 4.15Å; D51-Y55 HydrophobicContact CB-CD2 4.43Å; D51-Y55 WeakPolarHBondContact O-CD2 3.2Å; D51-Y55 PolarHBondContact O-N 3.43Å; Y55-R57 VanDerWaalsContact C-N 3.33Å; Y55-R57 PolarHBondContact O-N 3.43Å; Y55-R57 VanDerWaalsContact O-N 3.1Å; Y55-Q58 PolarHBondContact O-N 2.5Å; Y55-L59 WeakPolarHBondContact O-CG 3.47Å; Y55-L59 PolarHBondContact O-N 2.74Å; Y55-M67 HydrophobicContact CD1-CE 3.59Å; Y55-M67 HydrophobicContact CD1-SD 4.4Å; Y55-M67 HydrophobicContact CD2-CE 4.43Å; Y55-M67 HydrophobicContact CE1-CE 4.29Å; Y55-M67 HydrophobicContact CG-CE 3.67Å; Y55-G95 WeakPolarHBondContact OH-CA 3.47Å; Y55-N139 PolarHBondContact OH-ND2 3.25Å; Y55-N514 WeakPolarHBondContact CD1-ND2 3.34Å
56	S	92.9	Very high	85.5	Confident	5 Å²	5	43.3 Å²	43.3	4%	0.035	25%	0.246	C	C	.	.	H	α-helix	trans	-39	-56	-174.6	173.4	0	0	0	0	113.6	E52 Q58 L59 Y60	E52-S56 WeakPolarHBondContact O-CA 3.43Å; E52-S56 WeakPolarHBondContact O-CB 3.29Å; E52-S56 PolarHBondContact O-N 2.92Å; S56-Q58 PolarHBondContact O-N 2.57Å; S56-L59 PolarHBondContact O-N 3.36Å; S56-Y60 WeakPolarHBondContact O-CD2 3.43Å; S56-Y60 WeakPolarHBondContact O-CE2 3.43Å
57	R	94.6	Very high	88.8	Confident	23 Å²	23	38.2 Å²	38.2	9%	0.087	21%	0.21	C	C	.	.	H	α-helix	trans	-73.8	-30.3	-173.9	-50.2	-54.3	172.3	127	-1.4	113.3	Y55 R515 K851 D852 A893	Y55-R57 VanDerWaalsContact C-N 3.33Å; Y55-R57 PolarHBondContact O-N 3.43Å; Y55-R57 VanDerWaalsContact O-N 3.1Å; R57-R515 VanDerWaalsContact CG-NH1 3.3Å; R57-K851 VanDerWaalsContact NH2-CE 3.33Å; R57-D852 IonicContact NH2-OD1 2.8Å; R57-D852 IonicContact NH2-OD2 3.94Å; R57-D852 PolarHBondContact NH2-OD2 2.98Å; R57-A893 CarbonylContact C-O 3.52Å; R57-A893 VanDerWaalsContact C-O 3.31Å; R57-A893 HydrophobicContact CB-CB 4.42Å; R57-A893 PolarHBondContact O-N 3.5Å
58	Q	97.6	Very high	91.6	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-76.5	-33.3	177.1	-179.7	174.5	-53	0	0	111.9	Y55 S56 Y60 V61 L62 M67 G94 N514 A893 I894	Y55-Q58 PolarHBondContact O-N 2.5Å; S56-Q58 PolarHBondContact O-N 2.57Å; Q58-Y60 VanDerWaalsContact C-N 3.25Å; Q58-Y60 PolarHBondContact O-N 3.11Å; Q58-V61 WeakPolarHBondContact O-CA 3.4Å; Q58-V61 WeakPolarHBondContact O-CB 3.41Å; Q58-V61 PolarHBondContact O-N 3.35Å; Q58-L62 HydrophobicContact CG-CD1 3.71Å; Q58-L62 HydrophobicContact CG-CG 4.18Å; Q58-L62 PolarHBondContact O-N 3.48Å; Q58-M67 HydrophobicContact CG-CE 4.12Å; Q58-G94 PolarHBondContact NE2-O 3.29Å; Q58-N514 WeakPolarHBondContact CB-OD1 3.32Å; Q58-N514 PolarHBondContact OE1-ND2 3.07Å; Q58-A893 PolarHBondContact N-O 2.68Å; Q58-I894 HydrophobicContact CG-CD1 3.91Å; Q58-I894 HydrophobicContact CG-CG1 4.11Å
59	L	96.6	Very high	93.7	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.01	18%	0.178	C	C	.	.	H	α-helix	trans	-62.1	-33.8	177.1	-76.9	169.4	0	0	0	112.2	I50 E52 Y55 S56 V61 G63 M67 H881	I50-L59 HydrophobicContact CD1-CD2 4.48Å; I50-L59 HydrophobicContact CG2-CD1 4.01Å; I50-L59 HydrophobicContact CG2-CD2 4.13Å; E52-L59 HydrophobicContact CB-CD1 4.29Å; E52-L59 HydrophobicContact CG-CD1 3.92Å; Y55-L59 WeakPolarHBondContact O-CG 3.47Å; Y55-L59 PolarHBondContact O-N 2.74Å; S56-L59 PolarHBondContact O-N 3.36Å; L59-V61 PolarHBondContact O-N 3.5Å; L59-G63 VanDerWaalsContact O-CA 3.25Å; L59-G63 WeakPolarHBondContact O-CA 3.49Å; L59-G63 PolarHBondContact O-N 3Å; L59-M67 HydrophobicContact CD2-CB 4Å; L59-M67 HydrophobicContact CD2-CE 4.01Å; L59-M67 HydrophobicContact CD2-CG 4.26Å; L59-M67 HydrophobicContact CG-CE 4.34Å; L59-H881 WeakPolarHBondContact CB-NE2 3.46Å
60	Y	95.3	Very high	94.8	Very high	26 Å²	26	29.1 Å²	29.1	10%	0.102	15%	0.147	C	C	.	.	H	α-helix	trans	-70.1	-12	173	-59.2	-54.4	0	0	0	114.4	S56 Q58 H881 L885 I890	S56-Y60 WeakPolarHBondContact O-CD2 3.43Å; S56-Y60 WeakPolarHBondContact O-CE2 3.43Å; Q58-Y60 VanDerWaalsContact C-N 3.25Å; Q58-Y60 PolarHBondContact O-N 3.11Å; Y60-H881 AromaticContact CD1-CE1 3.39Å; Y60-H881 WeakPolarHBondContact CD1-CE1 3.35Å; Y60-H881 AromaticContact CD1-NE2 3.7Å; Y60-H881 AromaticContact CE1-CD2 3.74Å; Y60-H881 AromaticContact CE1-CE1 3.15Å; Y60-H881 WeakPolarHBondContact CE1-CE1 3.41Å; Y60-H881 AromaticContact CE1-CG 3.9Å; Y60-H881 AromaticContact CE1-ND1 3.55Å; Y60-H881 AromaticContact CE1-NE2 3.26Å; Y60-H881 VanDerWaalsContact CE1-NE2 3.26Å; Y60-H881 WeakPolarHBondContact CE1-NE2 3.37Å; Y60-H881 VanDerWaalsContact CE1-O 3.32Å; Y60-H881 WeakPolarHBondContact CE1-O 3.28Å; Y60-H881 AromaticContact CZ-CD2 3.92Å; Y60-H881 AromaticContact CZ-NE2 3.67Å; Y60-H881 PolarHBondContact OH-O 3.45Å; Y60-L885 HydrophobicContact CD1-CB 3.98Å; Y60-L885 HydrophobicContact CD1-CD1 3.86Å; Y60-L885 HydrophobicContact CD1-CD2 3.78Å; Y60-L885 HydrophobicContact CD1-CG 4.08Å; Y60-L885 HydrophobicContact CD2-CD1 3.87Å; Y60-L885 HydrophobicContact CE1-CB 3.5Å; Y60-L885 VanDerWaalsContact CE1-CB 3.5Å; Y60-L885 HydrophobicContact CE1-CD1 4.14Å; Y60-L885 HydrophobicContact CE1-CD2 4.13Å; Y60-L885 HydrophobicContact CE1-CG 4.12Å; Y60-L885 HydrophobicContact CE2-CB 4.41Å; Y60-L885 HydrophobicContact CE2-CD1 4.15Å; Y60-L885 HydrophobicContact CG-CD1 3.72Å; Y60-L885 HydrophobicContact CG-CD2 4.35Å; Y60-L885 HydrophobicContact CG-CG 4.44Å; Y60-L885 PolarHBondContact OH-N 2.98Å; Y60-I890 HydrophobicContact CD2-CG2 3.57Å; Y60-I890 HydrophobicContact CE2-CB 4.22Å; Y60-I890 HydrophobicContact CE2-CD1 3.95Å; Y60-I890 HydrophobicContact CE2-CG2 3.53Å
61	V	97.1	Very high	95.1	Very high	13 Å²	13	30.7 Å²	30.7	8%	0.079	15%	0.154	C	C	.	.	H	α-helix	trans	-95.7	-48.5	175.9	-175	0	0	0	0	110.7	Q58 L59 F417 T603 P892 I894	Q58-V61 WeakPolarHBondContact O-CA 3.4Å; Q58-V61 WeakPolarHBondContact O-CB 3.41Å; Q58-V61 PolarHBondContact O-N 3.35Å; L59-V61 PolarHBondContact O-N 3.5Å; V61-F417 HydrophobicContact CG1-CE2 4.48Å; V61-F417 HydrophobicContact CG1-CZ 4.04Å; V61-F417 WeakPolarHBondContact O-CZ 3.26Å; V61-T603 HydrophobicContact CG1-CG2 3.9Å; V61-P892 HydrophobicContact CG2-CB 3.7Å; V61-I894 HydrophobicContact CG1-CG2 4.38Å
62	L	95.9	Very high	95.3	Very high	4 Å²	4	33.8 Å²	33.8	2%	0.021	17%	0.174	C	C	.	.	H	α-helix	trans	-94.1	-37.9	-172.5	-59.9	178.7	0	0	0	113.4	Q58 A66 L70 M410 K416 F417 I894	Q58-L62 HydrophobicContact CG-CD1 3.71Å; Q58-L62 HydrophobicContact CG-CG 4.18Å; Q58-L62 PolarHBondContact O-N 3.48Å; L62-A66 HydrophobicContact CB-CB 4.03Å; L62-A66 VanDerWaalsContact O-CB 3.29Å; L62-A66 WeakPolarHBondContact O-CB 3.26Å; L62-L70 HydrophobicContact CD1-CD1 3.76Å; L62-M410 HydrophobicContact CD1-CE 3.63Å; L62-K416 WeakPolarHBondContact O-CE 3.34Å; L62-F417 HydrophobicContact CD2-CE2 3.7Å; L62-F417 HydrophobicContact CD2-CZ 4.27Å; L62-I894 HydrophobicContact CD1-CD1 4.2Å; L62-I894 HydrophobicContact CD2-CD1 4.39Å; L62-I894 HydrophobicContact CG-CD1 4.33Å
63	G	93.9	Very high	95.6	Very high	27 Å²	27	30.3 Å²	30.3	28%	0.278	16%	0.159	S	C	.	.			trans	84.6	156.7	-167.4	0	0	0	0	0	113.4	L59 E65 A66 M67	L59-G63 VanDerWaalsContact O-CA 3.25Å; L59-G63 WeakPolarHBondContact O-CA 3.49Å; L59-G63 PolarHBondContact O-N 3Å; G63-E65 VanDerWaalsContact C-N 3.32Å; G63-E65 PolarHBondContact O-N 2.87Å; G63-A66 PolarHBondContact O-N 3.06Å; G63-M67 PolarHBondContact O-N 2.87Å; G63-M67 VanDerWaalsContact O-N 3.14Å
64	H	93.8	Very high	96	Very high	59 Å²	59	29.9 Å²	29.9	27%	0.273	15%	0.153	S	C	.	.	H	α-helix	trans	-58.7	-39.5	-179.1	-67.8	68.8	0	0	0	113.2	I50 E52 M67 K68 H881	I50-H64 HydrophobicContact CD1-CB 4.16Å; E52-H64 IonicContact OE1-CD2 2.65Å; E52-H64 IonicContact OE1-CE1 2.84Å; E52-H64 IonicContact OE1-NE2 3.82Å; E52-H64 PolarHBondContact OE1-NE2 3.26Å; H64-M67 WeakPolarHBondContact O-CB 3.28Å; H64-M67 PolarHBondContact O-N 2.95Å; H64-K68 WeakPolarHBondContact O-CG 3.4Å; H64-K68 PolarHBondContact O-N 3.24Å; H64-H881 AromaticContact CE1-CD2 3.8Å; H64-H881 AromaticContact CE1-CE1 3.53Å; H64-H881 AromaticContact CE1-CG 3.73Å; H64-H881 AromaticContact CE1-ND1 3.57Å; H64-H881 AromaticContact CE1-NE2 3.69Å
65	E	93.3	Very high	96.2	Very high	129 Å²	129	29.1 Å²	29.1	60%	0.603	15%	0.149	S	C	*	.	H	α-helix	trans	-65.4	-44.4	-178.5	-175.2	57.4	-157.1	0	0	112.3	G63 M67 K68 R69	G63-E65 VanDerWaalsContact C-N 3.32Å; G63-E65 PolarHBondContact O-N 2.87Å; E65-M67 VanDerWaalsContact C-N 3.28Å; E65-M67 PolarHBondContact O-N 3.04Å; E65-K68 PolarHBondContact O-N 3.28Å; E65-R69 PolarHBondContact O-N 3.01Å
66	A	95.9	Very high	96.3	Very high	6 Å²	6	29 Å²	29	5%	0.05	15%	0.148	C	C	.	.	H	α-helix	trans	-62.3	-38.9	174.6	0	0	0	0	0	111.3	L62 G63 R69 L70 K416	L62-A66 HydrophobicContact CB-CB 4.03Å; L62-A66 VanDerWaalsContact O-CB 3.29Å; L62-A66 WeakPolarHBondContact O-CB 3.26Å; G63-A66 PolarHBondContact O-N 3.06Å; A66-R69 PolarHBondContact O-N 2.67Å; A66-L70 WeakPolarHBondContact O-CG 3.34Å; A66-L70 PolarHBondContact O-N 2.98Å; A66-L70 VanDerWaalsContact O-N 3.1Å; A66-K416 HydrophobicContact CB-CB 4.18Å; A66-K416 HydrophobicContact CB-CG 4.47Å
67	M	96.8	Very high	96.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-65.1	-42.7	176.3	-172.2	70.8	82.5	0	0	112.6	I50 Y55 Q58 L59 G63 H64 E65 R69 L70 Q71	I50-M67 HydrophobicContact CD1-CB 3.78Å; I50-M67 HydrophobicContact CD1-CG 3.78Å; I50-M67 HydrophobicContact CG1-CG 3.97Å; I50-M67 HydrophobicContact CG2-CG 4.04Å; Y55-M67 HydrophobicContact CD1-CE 3.59Å; Y55-M67 HydrophobicContact CD1-SD 4.4Å; Y55-M67 HydrophobicContact CD2-CE 4.43Å; Y55-M67 HydrophobicContact CE1-CE 4.29Å; Y55-M67 HydrophobicContact CG-CE 3.67Å; Q58-M67 HydrophobicContact CG-CE 4.12Å; L59-M67 HydrophobicContact CD2-CB 4Å; L59-M67 HydrophobicContact CD2-CE 4.01Å; L59-M67 HydrophobicContact CD2-CG 4.26Å; L59-M67 HydrophobicContact CG-CE 4.34Å; G63-M67 PolarHBondContact O-N 2.87Å; G63-M67 VanDerWaalsContact O-N 3.14Å; H64-M67 WeakPolarHBondContact O-CB 3.28Å; H64-M67 PolarHBondContact O-N 2.95Å; E65-M67 VanDerWaalsContact C-N 3.28Å; E65-M67 PolarHBondContact O-N 3.04Å; M67-R69 VanDerWaalsContact C-N 3.27Å; M67-R69 PolarHBondContact O-N 2.99Å; M67-L70 WeakPolarHBondContact O-CB 3.34Å; M67-L70 PolarHBondContact O-N 2.81Å; M67-L70 VanDerWaalsContact O-N 3.1Å; M67-L70 HydrophobicContact SD-CD1 4.25Å; M67-Q71 PolarHBondContact O-N 3.43Å
68	K	96.7	Very high	96.8	Very high	58 Å²	58	27.9 Å²	27.9	25%	0.252	14%	0.143	S	C	.	.	H	α-helix	trans	-56.6	-42.4	175	-74.8	-178.5	177.7	180	0	111.3	E47 I50 H64 E65 Q71 T72	E47-K68 IonicContact OE2-NZ 2.95Å; E47-K68 PolarHBondContact OE2-NZ 2.66Å; I50-K68 HydrophobicContact CD1-CG 4.03Å; H64-K68 WeakPolarHBondContact O-CG 3.4Å; H64-K68 PolarHBondContact O-N 3.24Å; E65-K68 PolarHBondContact O-N 3.28Å; K68-Q71 PolarHBondContact O-N 2.96Å; K68-T72 PolarHBondContact O-N 3.36Å
69	R	96.7	Very high	96.8	Very high	83 Å²	83	28.2 Å²	28.2	31%	0.313	15%	0.148	S	C	.	.	H	α-helix	trans	-65.8	-35.6	176.3	-68	179.9	59.8	169	-0.4	113.3	E65 A66 M67 T72 S73 C413 S414	E65-R69 PolarHBondContact O-N 3.01Å; A66-R69 PolarHBondContact O-N 2.67Å; M67-R69 VanDerWaalsContact C-N 3.27Å; M67-R69 PolarHBondContact O-N 2.99Å; R69-T72 PolarHBondContact O-N 3.3Å; R69-T72 PolarHBondContact O-OG1 2.63Å; R69-S73 PolarHBondContact O-N 3.32Å; R69-S73 PolarHBondContact O-OG 3.06Å; R69-C413 PolarHBondContact NE-O 2.91Å; R69-C413 VanDerWaalsContact NE-O 3.15Å; R69-C413 PolarHBondContact NH2-O 3.19Å; R69-S414 PolarHBondContact NE-O 2.63Å; R69-S414 PolarHBondContact NH1-O 3.18Å
70	L	97.4	Very high	96.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-63.4	-45.8	174.4	-70.6	167.8	0	0	0	111.4	L62 A66 M67 T72 S73 V96 K97 M410 C413	L62-L70 HydrophobicContact CD1-CD1 3.76Å; A66-L70 WeakPolarHBondContact O-CG 3.34Å; A66-L70 PolarHBondContact O-N 2.98Å; A66-L70 VanDerWaalsContact O-N 3.1Å; M67-L70 WeakPolarHBondContact O-CB 3.34Å; M67-L70 PolarHBondContact O-N 2.81Å; M67-L70 VanDerWaalsContact O-N 3.1Å; M67-L70 HydrophobicContact SD-CD1 4.25Å; L70-T72 PolarHBondContact O-N 2.94Å; L70-S73 PolarHBondContact O-N 3.23Å; L70-V96 HydrophobicContact CD2-CG1 4.12Å; L70-V96 CarbonylContact O-C 3.56Å; L70-V96 VanDerWaalsContact O-CA 3.29Å; L70-V96 WeakPolarHBondContact O-CA 3.43Å; L70-K97 PolarHBondContact O-N 3.25Å; L70-K97 VanDerWaalsContact O-N 3.08Å; L70-M410 HydrophobicContact CD1-CE 3.37Å; L70-M410 HydrophobicContact CD1-SD 3.96Å; L70-M410 HydrophobicContact CD2-CB 4.45Å; L70-M410 HydrophobicContact CD2-CE 4.18Å; L70-M410 HydrophobicContact CD2-SD 3.6Å; L70-M410 HydrophobicContact CG-CE 4.44Å; L70-M410 HydrophobicContact CG-SD 4.45Å; L70-C413 HydrophobicContact CD2-CB 3.53Å
71	Q	96.5	Very high	97.1	Very high	56 Å²	56	30.1 Å²	30.1	26%	0.262	16%	0.155	S	C	.	.	H	α-helix	trans	-63.2	-12.4	179.3	-68.5	-176.8	-5.5	0	0	114	M67 K68 K97	M67-Q71 PolarHBondContact O-N 3.43Å; K68-Q71 PolarHBondContact O-N 2.96Å; Q71-K97 WeakPolarHBondContact O-CA 3.24Å; Q71-K97 WeakPolarHBondContact O-CB 3.46Å
72	T	97.3	Very high	97.1	Very high	94 Å²	94	29.6 Å²	29.6	58%	0.577	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.8	-0.6	173.4	57.8	0	0	0	0	114.5	K68 R69 L70	K68-T72 PolarHBondContact O-N 3.36Å; R69-T72 PolarHBondContact O-N 3.3Å; R69-T72 PolarHBondContact O-OG1 2.63Å; L70-T72 PolarHBondContact O-N 2.94Å
73	S	98.2	Very high	97.3	Very high	9 Å²	9	29.4 Å²	29.4	6%	0.063	15%	0.15	C	C	.	.			trans	-106	119.1	-174.7	-58.8	0	0	0	0	112.3	R69 L70 K97 C413	R69-S73 PolarHBondContact O-N 3.32Å; R69-S73 PolarHBondContact O-OG 3.06Å; L70-S73 PolarHBondContact O-N 3.23Å; S73-K97 VanDerWaalsContact O-CB 3.24Å; S73-K97 WeakPolarHBondContact O-CB 3.37Å; S73-K97 PolarHBondContact O-N 3.2Å; S73-C413 VanDerWaalsContact CB-SG 3.5Å
74	S	98.7	Very high	97.5	Very high	14 Å²	14	28.1 Å²	28.1	10%	0.098	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	134.5	170.5	-62.3	0	0	0	0	110.5	Q160 V161	S74-Q160 PolarHBondContact O-N 3.35Å; S74-V161 PolarHBondContact O-N 3.35Å
75	V	98.9	Very high	97.7	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	132.5	-177.7	-174.9	0	0	0	0	111.2	V77 I91 V96 A98 V99 T100 V161 V163 V409	V75-V77 HydrophobicContact CG1-CG2 4.29Å; V75-I91 HydrophobicContact CB-CG2 4.33Å; V75-I91 HydrophobicContact CG1-CD1 4.16Å; V75-I91 HydrophobicContact CG1-CG2 4.47Å; V75-I91 HydrophobicContact CG2-CG2 4.16Å; V75-V96 HydrophobicContact CG2-CB 4.39Å; V75-V96 HydrophobicContact CG2-CG1 4.17Å; V75-V96 HydrophobicContact CG2-CG2 4.37Å; V75-A98 PolarHBondContact N-O 2.9Å; V75-V99 WeakPolarHBondContact O-CA 3.44Å; V75-T100 PolarHBondContact O-N 3.46Å; V75-V161 WeakPolarHBondContact CA-O 3.33Å; V75-V161 HydrophobicContact CG1-CB 4.32Å; V75-V161 HydrophobicContact CG2-CB 4.32Å; V75-V163 HydrophobicContact CG1-CG2 4.25Å; V75-V409 HydrophobicContact CG1-CG1 4.05Å; V75-V409 HydrophobicContact CG2-CG1 3.93Å
76	L	98.8	Very high	98	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	131.8	168.7	175.5	65.2	0	0	0	109.8	T100 H102 L151 F155 L156 F159 V161 V162 V163	L76-T100 CarbonylContact C-O 3.37Å; L76-T100 WeakPolarHBondContact CA-O 3.46Å; L76-T100 HydrophobicContact CD1-CG2 4.03Å; L76-T100 WeakPolarHBondContact CD1-O 3.46Å; L76-H102 HydrophobicContact CD1-CB 4.02Å; L76-L151 HydrophobicContact CD2-CD2 3.96Å; L76-F155 HydrophobicContact CD1-CE1 3.91Å; L76-F155 HydrophobicContact CD1-CZ 4.25Å; L76-F155 HydrophobicContact CD2-CE1 4Å; L76-L156 HydrophobicContact CD2-CD2 3.6Å; L76-F159 HydrophobicContact CB-CB 4.36Å; L76-F159 HydrophobicContact CB-CD1 3.8Å; L76-F159 HydrophobicContact CB-CD2 3.78Å; L76-F159 HydrophobicContact CB-CE1 3.99Å; L76-F159 HydrophobicContact CB-CE2 3.98Å; L76-F159 HydrophobicContact CB-CG 3.69Å; L76-F159 HydrophobicContact CB-CZ 4.08Å; L76-F159 HydrophobicContact CD1-CE2 4.2Å; L76-F159 HydrophobicContact CD1-CZ 4.1Å; L76-F159 HydrophobicContact CD2-CD2 4Å; L76-F159 HydrophobicContact CD2-CE2 3.95Å; L76-F159 HydrophobicContact CG-CD2 4.41Å; L76-F159 HydrophobicContact CG-CE2 4.27Å; L76-F159 HydrophobicContact CG-CZ 4.5Å; L76-V161 PolarHBondContact N-O 2.81Å; L76-V162 HydrophobicContact CB-CG2 4.31Å; L76-V162 HydrophobicContact CD2-CG1 4.12Å; L76-V162 HydrophobicContact CD2-CG2 4.24Å; L76-V163 PolarHBondContact O-N 2.85Å
77	V	98.8	Very high	98.1	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	111.4	171.8	-176.2	0	0	0	0	109.1	V75 A88 I91 V99 T100 L101 H102 V163	V75-V77 HydrophobicContact CG1-CG2 4.29Å; V77-A88 HydrophobicContact CG2-CB 4.46Å; V77-I91 HydrophobicContact CG2-CD1 4.26Å; V77-V99 HydrophobicContact CG2-CG1 4.32Å; V77-T100 PolarHBondContact N-O 3.09Å; V77-L101 CarbonylContact O-C 3.14Å; V77-H102 PolarHBondContact O-N 3.17Å; V77-V163 HydrophobicContact CG2-CB 4.42Å; V77-V163 HydrophobicContact CG2-CG2 4.39Å
78	S	98.6	Very high	98.2	Very high	4 Å²	4	19 Å²	19	3%	0.028	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	130.1	179.1	179.1	0	0	0	0	111.6	H102 V163 T165	S78-H102 CarbonylContact C-O 3.55Å; S78-H102 WeakPolarHBondContact CA-O 3.38Å; S78-H102 PolarHBondContact OG-ND1 3.48Å; S78-V163 WeakPolarHBondContact CB-O 3.06Å; S78-V163 PolarHBondContact N-O 3.38Å; S78-T165 PolarHBondContact O-N 2.93Å; S78-T165 PolarHBondContact O-OG1 3.05Å
79	G	97.9	Very high	98.4	Very high	9 Å²	9	16.3 Å²	16.3	9%	0.093	8%	0.082	C	C	.	.			trans	88.2	112.1	-173	0	0	0	0	0	110.3	G84 H102 T165	G79-G84 WeakPolarHBondContact O-CA 3.48Å; G79-H102 PolarHBondContact N-O 3.27Å; G79-T165 PolarHBondContact O-OG1 3.27Å
80	L	98.5	Very high	98.5	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.067	C	C	.	.			trans	-113.9	51.4	-177.9	-86.7	-61.2	0	0	0	110.1	L101 H102 D103 Q115 R127 A128	L80-L101 HydrophobicContact CD1-CD2 4.21Å; L80-L101 HydrophobicContact CD2-CB 3.91Å; L80-L101 HydrophobicContact CG-CB 4.27Å; L80-H102 WeakPolarHBondContact CD2-O 3.45Å; L80-D103 HydrophobicContact CB-CB 4.17Å; L80-D103 HydrophobicContact CD2-CB 4.41Å; L80-D103 PolarHBondContact N-OD2 3.01Å; L80-Q115 PolarHBondContact O-NE2 3.14Å; L80-Q115 PolarHBondContact O-OE1 3.1Å; L80-R127 HydrophobicContact CB-CB 4.08Å; L80-A128 HydrophobicContact CD2-CB 4.49Å; L80-A128 HydrophobicContact CG-CB 4.45Å
81	R	98.4	Very high	98.5	Very high	68 Å²	68	12.4 Å²	12.4	26%	0.257	7%	0.067	S	C	.	.	S	Bend	trans	-81.7	-168.1	159.4	-76.8	-172	156.8	179.6	-3.3	110.3	L83 G84 V85 D111 R127	R81-L83 PolarHBondContact O-N 3.02Å; R81-G84 PolarHBondContact O-N 2.89Å; R81-V85 PolarHBondContact O-N 3.34Å; R81-D111 IonicContact CZ-OD1 2.71Å; R81-D111 IonicContact NE-OD1 3.47Å; R81-D111 PolarHBondContact NE-OD1 3.48Å; R81-D111 IonicContact NH2-OD1 3.57Å; R81-D111 PolarHBondContact NH2-OD1 2.94Å; R81-R127 VanDerWaalsContact NE-NH1 3.18Å
82	G	98.6	Very high	98.6	Very high	1 Å²	1	9.8 Å²	9.8	1%	0.01	6%	0.055	C	C	.	.	H	α-helix	trans	-49.3	-49.8	175.9	0	0	0	0	0	115.2	V85 E86 S114	G82-V85 VanDerWaalsContact O-CG1 3.24Å; G82-V85 WeakPolarHBondContact O-CG1 3.39Å; G82-E86 WeakPolarHBondContact O-CB 3.49Å; G82-E86 PolarHBondContact O-N 2.92Å; G82-S114 WeakPolarHBondContact CA-OG 3.36Å
83	L	98.9	Very high	98.7	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-61.2	-49.6	179.7	-178.8	60.7	0	0	0	111.8	R81 V85 E86 I87 T165 A189 T191 I401	R81-L83 PolarHBondContact O-N 3.02Å; L83-V85 PolarHBondContact O-N 3.27Å; L83-E86 PolarHBondContact O-N 3.29Å; L83-I87 HydrophobicContact CD1-CD1 4.03Å; L83-I87 HydrophobicContact CD1-CG1 4.39Å; L83-I87 HydrophobicContact CG-CD1 3.95Å; L83-I87 VanDerWaalsContact O-CG1 3.3Å; L83-I87 WeakPolarHBondContact O-CG1 3.23Å; L83-I87 PolarHBondContact O-N 2.91Å; L83-T165 HydrophobicContact CD2-CG2 4.18Å; L83-T165 HydrophobicContact CG-CG2 4.21Å; L83-A189 HydrophobicContact CD2-CB 3.83Å; L83-A189 VanDerWaalsContact CD2-O 3.25Å; L83-A189 WeakPolarHBondContact CD2-O 3.25Å; L83-T191 HydrophobicContact CD1-CG2 4.08Å; L83-T191 HydrophobicContact CD2-CG2 3.89Å; L83-T191 HydrophobicContact CG-CG2 4.43Å; L83-I401 HydrophobicContact CD1-CB 3.98Å; L83-I401 HydrophobicContact CD1-CG2 3.9Å
84	G	98.8	Very high	98.7	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-62	-42.1	-179.8	0	0	0	0	0	113.7	G79 R81 E86 I87 A88	G79-G84 WeakPolarHBondContact O-CA 3.48Å; R81-G84 PolarHBondContact O-N 2.89Å; G84-E86 VanDerWaalsContact C-N 3.35Å; G84-I87 PolarHBondContact O-N 3.26Å; G84-A88 WeakPolarHBondContact O-CB 3.35Å; G84-A88 PolarHBondContact O-N 2.84Å
85	V	98.8	Very high	98.6	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-68.6	-34.9	177.5	73.6	0	0	0	0	112.1	R81 G82 L83 A88 K89 Q115 F116 Y117 L135	R81-V85 PolarHBondContact O-N 3.34Å; G82-V85 VanDerWaalsContact O-CG1 3.24Å; G82-V85 WeakPolarHBondContact O-CG1 3.39Å; L83-V85 PolarHBondContact O-N 3.27Å; V85-A88 PolarHBondContact O-N 3.03Å; V85-K89 WeakPolarHBondContact O-CB 3.46Å; V85-K89 PolarHBondContact O-N 3.01Å; V85-Q115 HydrophobicContact CB-CG 4.31Å; V85-Q115 HydrophobicContact CG1-CB 4.4Å; V85-Q115 HydrophobicContact CG1-CG 3.84Å; V85-F116 HydrophobicContact CB-CZ 4.5Å; V85-F116 HydrophobicContact CG1-CD1 4.16Å; V85-F116 HydrophobicContact CG1-CE1 3.69Å; V85-F116 HydrophobicContact CG1-CZ 3.98Å; V85-F116 HydrophobicContact CG2-CE1 4.49Å; V85-F116 HydrophobicContact CG2-CE2 4.13Å; V85-F116 HydrophobicContact CG2-CZ 3.93Å; V85-Y117 HydrophobicContact CG2-CD2 3.71Å; V85-Y117 HydrophobicContact CG2-CE2 4.47Å; V85-Y117 HydrophobicContact CG2-CG 4.41Å; V85-L135 HydrophobicContact CG2-CD1 4.35Å; V85-L135 HydrophobicContact CG2-CD2 4.21Å
86	E	98.9	Very high	98.6	Very high	4 Å²	4	4.6 Å²	4.6	2%	0.019	2%	0.023	C	C	.	.	H	α-helix	trans	-65.9	-44.5	175.9	-175.2	66.4	-140.8	0	0	111	G82 L83 G84 K89 N90 F116 N398 K485 A899	G82-E86 WeakPolarHBondContact O-CB 3.49Å; G82-E86 PolarHBondContact O-N 2.92Å; L83-E86 PolarHBondContact O-N 3.29Å; G84-E86 VanDerWaalsContact C-N 3.35Å; E86-K89 PolarHBondContact O-N 2.74Å; E86-K89 WeakPolarHBondContact OE1-CE 3.43Å; E86-K89 IonicContact OE1-NZ 2.71Å; E86-K89 PolarHBondContact OE1-NZ 2.89Å; E86-K89 WeakPolarHBondContact OE2-CE 3.4Å; E86-N90 PolarHBondContact O-N 3.38Å; E86-N90 PolarHBondContact O-ND2 3.27Å; E86-N90 PolarHBondContact OE1-ND2 3.35Å; E86-F116 WeakPolarHBondContact OE2-CE1 3.44Å; E86-N398 WeakPolarHBondContact CG-O 3.38Å; E86-K485 IonicContact OE1-NZ 3.31Å; E86-K485 IonicContact OE2-NZ 3.97Å; E86-K485 PolarHBondContact OE2-NZ 2.76Å; E86-A899 WeakPolarHBondContact OE1-CB 3.47Å
87	I	98.9	Very high	98.6	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-61	-50	174.8	-66.9	169.6	0	0	0	110.4	L83 G84 K89 N90 I91 V163 T165 A189 A405 A406	L83-I87 HydrophobicContact CD1-CD1 4.03Å; L83-I87 HydrophobicContact CD1-CG1 4.39Å; L83-I87 HydrophobicContact CG-CD1 3.95Å; L83-I87 VanDerWaalsContact O-CG1 3.3Å; L83-I87 WeakPolarHBondContact O-CG1 3.23Å; L83-I87 PolarHBondContact O-N 2.91Å; G84-I87 PolarHBondContact O-N 3.26Å; I87-K89 PolarHBondContact O-N 3.02Å; I87-N90 PolarHBondContact O-N 3.49Å; I87-I91 HydrophobicContact CG2-CD1 3.41Å; I87-I91 VanDerWaalsContact CG2-CD1 3.41Å; I87-I91 HydrophobicContact CG2-CG1 4.32Å; I87-I91 VanDerWaalsContact O-CG1 3.32Å; I87-I91 WeakPolarHBondContact O-CG1 3.43Å; I87-I91 PolarHBondContact O-N 3.02Å; I87-V163 HydrophobicContact CD1-CG1 4.12Å; I87-V163 HydrophobicContact CG2-CG1 4.28Å; I87-T165 HydrophobicContact CD1-CG2 3.74Å; I87-A189 HydrophobicContact CD1-CB 4.29Å; I87-A405 HydrophobicContact CD1-CB 3.6Å; I87-A405 HydrophobicContact CG1-CB 3.9Å; I87-A406 HydrophobicContact CG2-CB 4.41Å
88	A	98.9	Very high	98.6	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-59.8	-44.5	180	0	0	0	0	0	112.1	V77 G84 V85 N90 I91 I92 L101 L135	V77-A88 HydrophobicContact CG2-CB 4.46Å; G84-A88 WeakPolarHBondContact O-CB 3.35Å; G84-A88 PolarHBondContact O-N 2.84Å; V85-A88 PolarHBondContact O-N 3.03Å; A88-N90 VanDerWaalsContact C-N 3.33Å; A88-N90 PolarHBondContact O-N 3.34Å; A88-I91 PolarHBondContact O-N 3.24Å; A88-I92 WeakPolarHBondContact O-CB 3.36Å; A88-I92 WeakPolarHBondContact O-CD1 3.31Å; A88-I92 WeakPolarHBondContact O-CG1 3.49Å; A88-I92 PolarHBondContact O-N 3.25Å; A88-L101 HydrophobicContact CB-CD2 4.05Å; A88-L135 HydrophobicContact CB-CD1 4.19Å; A88-L135 HydrophobicContact CB-CD2 4.14Å
89	K	98.9	Very high	98.6	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-52	-52.6	175.2	170	-174.6	62	80.8	0	110.9	V85 E86 I87 I92 L93 F116 L135 L138 E482 F517	V85-K89 WeakPolarHBondContact O-CB 3.46Å; V85-K89 PolarHBondContact O-N 3.01Å; E86-K89 PolarHBondContact O-N 2.74Å; E86-K89 WeakPolarHBondContact OE1-CE 3.43Å; E86-K89 IonicContact OE1-NZ 2.71Å; E86-K89 PolarHBondContact OE1-NZ 2.89Å; E86-K89 WeakPolarHBondContact OE2-CE 3.4Å; I87-K89 PolarHBondContact O-N 3.02Å; K89-I92 PolarHBondContact O-N 2.93Å; K89-L93 HydrophobicContact CG-CD1 3.87Å; K89-L93 WeakPolarHBondContact O-CB 3.28Å; K89-L93 VanDerWaalsContact O-CG 3.27Å; K89-L93 WeakPolarHBondContact O-CG 3.48Å; K89-L93 PolarHBondContact O-N 3.01Å; K89-F116 HydrophobicContact CB-CZ 4.14Å; K89-F116 HydrophobicContact CD-CE2 4.21Å; K89-F116 HydrophobicContact CD-CZ 3.8Å; K89-L135 HydrophobicContact CB-CD2 4.45Å; K89-L138 HydrophobicContact CB-CD1 4.06Å; K89-L138 HydrophobicContact CG-CD1 3.85Å; K89-E482 IonicContact NZ-OE1 2.66Å; K89-E482 PolarHBondContact NZ-OE1 3.38Å; K89-F517 HydrophobicContact CD-CB 4.16Å; K89-F517 HydrophobicContact CD-CD1 3.86Å; K89-F517 HydrophobicContact CD-CD2 3.69Å; K89-F517 HydrophobicContact CD-CE1 4.17Å; K89-F517 HydrophobicContact CD-CE2 4Å; K89-F517 HydrophobicContact CD-CG 3.61Å; K89-F517 HydrophobicContact CD-CZ 4.24Å; K89-F517 HydrophobicContact CG-CB 4.47Å; K89-F517 HydrophobicContact CG-CD2 4.47Å; K89-F517 HydrophobicContact CG-CG 4.39Å
90	N	98.9	Very high	98.6	Very high	2 Å²	2	10.9 Å²	10.9	1%	0.011	5%	0.052	C	C	.	.	H	α-helix	trans	-68.4	-36.5	-174.8	-68.6	-37.3	0	0	0	112.3	E86 I87 A88 G94 A406 T896	E86-N90 PolarHBondContact O-N 3.38Å; E86-N90 PolarHBondContact O-ND2 3.27Å; E86-N90 PolarHBondContact OE1-ND2 3.35Å; I87-N90 PolarHBondContact O-N 3.49Å; A88-N90 VanDerWaalsContact C-N 3.33Å; A88-N90 PolarHBondContact O-N 3.34Å; N90-G94 PolarHBondContact O-N 2.9Å; N90-A406 HydrophobicContact CB-CB 3.41Å; N90-A406 VanDerWaalsContact CB-CB 3.41Å; N90-T896 HydrophobicContact CB-CG2 4.16Å
91	I	98.8	Very high	98.6	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-68.2	-42.4	176.2	-67.2	164.8	0	0	0	111.6	V75 V77 I87 A88 G94 G95 V96 V99 A406 V409	V75-I91 HydrophobicContact CB-CG2 4.33Å; V75-I91 HydrophobicContact CG1-CD1 4.16Å; V75-I91 HydrophobicContact CG1-CG2 4.47Å; V75-I91 HydrophobicContact CG2-CG2 4.16Å; V77-I91 HydrophobicContact CG2-CD1 4.26Å; I87-I91 HydrophobicContact CG2-CD1 3.41Å; I87-I91 VanDerWaalsContact CG2-CD1 3.41Å; I87-I91 HydrophobicContact CG2-CG1 4.32Å; I87-I91 VanDerWaalsContact O-CG1 3.32Å; I87-I91 WeakPolarHBondContact O-CG1 3.43Å; I87-I91 PolarHBondContact O-N 3.02Å; A88-I91 PolarHBondContact O-N 3.24Å; I91-G94 WeakPolarHBondContact O-CA 3.42Å; I91-G94 PolarHBondContact O-N 3.39Å; I91-G94 VanDerWaalsContact O-N 3.14Å; I91-G95 PolarHBondContact O-N 3.08Å; I91-V96 HydrophobicContact CG2-CB 4.35Å; I91-V96 HydrophobicContact CG2-CG1 3.73Å; I91-V96 HydrophobicContact CG2-CG2 3.66Å; I91-V99 HydrophobicContact CG2-CG2 3.82Å; I91-A406 HydrophobicContact CG1-CB 4.12Å; I91-V409 HydrophobicContact CD1-CB 3.99Å; I91-V409 HydrophobicContact CD1-CG1 3.85Å; I91-V409 HydrophobicContact CD1-CG2 3.88Å; I91-V409 HydrophobicContact CG1-CB 4.21Å; I91-V409 HydrophobicContact CG1-CG1 4.04Å
92	I	98.9	Very high	98.7	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-63.9	-47	178.2	-68.7	163.6	0	0	0	110.4	A88 K89 G94 G95 V99 L135 L138 N139 V142 V144	A88-I92 WeakPolarHBondContact O-CB 3.36Å; A88-I92 WeakPolarHBondContact O-CD1 3.31Å; A88-I92 WeakPolarHBondContact O-CG1 3.49Å; A88-I92 PolarHBondContact O-N 3.25Å; K89-I92 PolarHBondContact O-N 2.93Å; I92-G94 PolarHBondContact O-N 3.15Å; I92-G95 PolarHBondContact O-N 3.23Å; I92-G95 VanDerWaalsContact O-N 3.16Å; I92-V99 HydrophobicContact CG1-CB 4.07Å; I92-V99 HydrophobicContact CG1-CG1 4.39Å; I92-V99 HydrophobicContact CG1-CG2 3.69Å; I92-L135 HydrophobicContact CD1-CB 3.71Å; I92-L135 HydrophobicContact CD1-CD2 3.77Å; I92-L135 HydrophobicContact CD1-CG 4.23Å; I92-L138 HydrophobicContact CG2-CB 3.84Å; I92-N139 HydrophobicContact CG2-CB 3.71Å; I92-N139 WeakPolarHBondContact O-CB 3.47Å; I92-N139 PolarHBondContact O-ND2 2.82Å; I92-V142 HydrophobicContact CG1-CG1 4.4Å; I92-V142 HydrophobicContact CG2-CB 4.22Å; I92-V142 HydrophobicContact CG2-CG1 4.45Å; I92-V142 WeakPolarHBondContact O-CG2 3.43Å; I92-V144 HydrophobicContact CD1-CG1 4.46Å; I92-V144 HydrophobicContact CD1-CG2 3.63Å; I92-V144 HydrophobicContact CG1-CG2 4.08Å
93	L	98.6	Very high	98.6	Very high	2 Å²	2	8.6 Å²	8.6	1%	0.01	5%	0.045	C	C	.	.	H	α-helix	trans	-61.9	-31.7	173.6	-70.2	172.4	0	0	0	112.1	K89 G95 L138 L513 N514 F517 A895	K89-L93 HydrophobicContact CG-CD1 3.87Å; K89-L93 WeakPolarHBondContact O-CB 3.28Å; K89-L93 VanDerWaalsContact O-CG 3.27Å; K89-L93 WeakPolarHBondContact O-CG 3.48Å; K89-L93 PolarHBondContact O-N 3.01Å; L93-G95 PolarHBondContact O-N 2.77Å; L93-L138 HydrophobicContact CD2-CB 4.09Å; L93-L138 HydrophobicContact CG-CB 4.5Å; L93-L513 WeakPolarHBondContact CD2-O 3.45Å; L93-N514 WeakPolarHBondContact CB-O 3.49Å; L93-N514 PolarHBondContact O-ND2 2.94Å; L93-F517 HydrophobicContact CD1-CB 3.79Å; L93-A895 HydrophobicContact CD1-CB 4.11Å
94	G	97.8	Very high	98.5	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.01	7%	0.071	C	C	.	.	H	α-helix	trans	-63.5	-21.2	174.8	0	0	0	0	0	115	Q58 N90 I91 I92	Q58-G94 PolarHBondContact NE2-O 3.29Å; N90-G94 PolarHBondContact O-N 2.9Å; I91-G94 WeakPolarHBondContact O-CA 3.42Å; I91-G94 PolarHBondContact O-N 3.39Å; I91-G94 VanDerWaalsContact O-N 3.14Å; I92-G94 PolarHBondContact O-N 3.15Å
95	G	98	Very high	98.3	Very high	2 Å²	2	15.4 Å²	15.4	2%	0.021	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.1	47.9	173.6	0	0	0	0	0	114.8	Y55 I91 I92 L93	Y55-G95 WeakPolarHBondContact OH-CA 3.47Å; I91-G95 PolarHBondContact O-N 3.08Å; I92-G95 PolarHBondContact O-N 3.23Å; I92-G95 VanDerWaalsContact O-N 3.16Å; L93-G95 PolarHBondContact O-N 2.77Å
96	V	98.4	Very high	98.2	Very high	3 Å²	3	18.7 Å²	18.7	2%	0.018	10%	0.103	C	C	.	.			trans	-77.1	172.2	172.5	-61.4	0	0	0	0	112.8	L70 V75 I91 A98 V99 V142	L70-V96 HydrophobicContact CD2-CG1 4.12Å; L70-V96 CarbonylContact O-C 3.56Å; L70-V96 VanDerWaalsContact O-CA 3.29Å; L70-V96 WeakPolarHBondContact O-CA 3.43Å; V75-V96 HydrophobicContact CG2-CB 4.39Å; V75-V96 HydrophobicContact CG2-CG1 4.17Å; V75-V96 HydrophobicContact CG2-CG2 4.37Å; I91-V96 HydrophobicContact CG2-CB 4.35Å; I91-V96 HydrophobicContact CG2-CG1 3.73Å; I91-V96 HydrophobicContact CG2-CG2 3.66Å; V96-A98 PolarHBondContact O-N 3.16Å; V96-V99 HydrophobicContact CG2-CG2 3.49Å; V96-V99 VanDerWaalsContact CG2-CG2 3.49Å; V96-V142 HydrophobicContact CG2-CG1 3.96Å; V96-V142 WeakPolarHBondContact O-CG2 3.02Å
97	K	98.3	Very high	98.2	Very high	109 Å²	109	18.6 Å²	18.6	47%	0.474	10%	0.103	S	C	.	.	S	Bend	trans	-60	-47.3	178.2	-176.5	-178.7	167.5	-172.5	0	113.1	L70 Q71 S73 P143	L70-K97 PolarHBondContact O-N 3.25Å; L70-K97 VanDerWaalsContact O-N 3.08Å; Q71-K97 WeakPolarHBondContact O-CA 3.24Å; Q71-K97 WeakPolarHBondContact O-CB 3.46Å; S73-K97 VanDerWaalsContact O-CB 3.24Å; S73-K97 WeakPolarHBondContact O-CB 3.37Å; S73-K97 PolarHBondContact O-N 3.2Å; K97-P143 VanDerWaalsContact O-CD 3.28Å; K97-P143 WeakPolarHBondContact O-CD 3.34Å
98	A	98.6	Very high	98.2	Very high	20 Å²	20	23.5 Å²	23.5	17%	0.165	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.3	149.8	-176	0	0	0	0	0	109.6	V75 V96 P143	V75-A98 PolarHBondContact N-O 2.9Å; V96-A98 PolarHBondContact O-N 3.16Å; A98-P143 WeakPolarHBondContact CA-O 3.43Å; A98-P143 HydrophobicContact CB-CG 3.89Å
99	V	98.9	Very high	98.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	128.9	172	178	0	0	0	0	109.7	V75 V77 I91 I92 V96 L101 V142 P143 V144 T145	V75-V99 WeakPolarHBondContact O-CA 3.44Å; V77-V99 HydrophobicContact CG2-CG1 4.32Å; I91-V99 HydrophobicContact CG2-CG2 3.82Å; I92-V99 HydrophobicContact CG1-CB 4.07Å; I92-V99 HydrophobicContact CG1-CG1 4.39Å; I92-V99 HydrophobicContact CG1-CG2 3.69Å; V96-V99 HydrophobicContact CG2-CG2 3.49Å; V96-V99 VanDerWaalsContact CG2-CG2 3.49Å; V99-L101 HydrophobicContact CG1-CD2 3.75Å; V99-V142 HydrophobicContact CG2-CG1 4Å; V99-P143 PolarHBondContact N-O 2.9Å; V99-V144 CarbonylContact O-C 3.57Å; V99-V144 VanDerWaalsContact O-CA 3.26Å; V99-V144 WeakPolarHBondContact O-CA 3.31Å; V99-T145 PolarHBondContact O-N 3.26Å
100	T	98.9	Very high	98.1	Very high	16 Å²	16	28.7 Å²	28.7	10%	0.098	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	127.1	171.5	-58.8	0	0	0	0	109	V75 L76 V77 T145 F155 F159	V75-T100 PolarHBondContact O-N 3.46Å; L76-T100 CarbonylContact C-O 3.37Å; L76-T100 WeakPolarHBondContact CA-O 3.46Å; L76-T100 HydrophobicContact CD1-CG2 4.03Å; L76-T100 WeakPolarHBondContact CD1-O 3.46Å; V77-T100 PolarHBondContact N-O 3.09Å; T100-T145 CarbonylContact C-O 3.54Å; T100-T145 WeakPolarHBondContact CA-O 3.49Å; T100-T145 PolarHBondContact OG1-OG1 3.02Å; T100-F155 HydrophobicContact CG2-CZ 3.97Å; T100-F159 HydrophobicContact CG2-CE1 4.36Å; T100-F159 HydrophobicContact CG2-CZ 3.98Å; T100-F159 WeakPolarHBondContact OG1-CE1 3.5Å
101	L	98.8	Very high	98	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	134.9	178.7	-51.1	-178.1	0	0	0	108.7	V77 L80 A88 V99 A128 Q132 L135 V144 T145 A146 Y147	V77-L101 CarbonylContact O-C 3.14Å; L80-L101 HydrophobicContact CD1-CD2 4.21Å; L80-L101 HydrophobicContact CD2-CB 3.91Å; L80-L101 HydrophobicContact CG-CB 4.27Å; A88-L101 HydrophobicContact CB-CD2 4.05Å; V99-L101 HydrophobicContact CG1-CD2 3.75Å; L101-A128 HydrophobicContact CB-CB 4.13Å; L101-Q132 HydrophobicContact CD1-CB 4.26Å; L101-L135 HydrophobicContact CD1-CD1 3.41Å; L101-L135 VanDerWaalsContact CD1-CD1 3.41Å; L101-L135 HydrophobicContact CD2-CD1 4.06Å; L101-L135 HydrophobicContact CG-CD1 4.38Å; L101-V144 HydrophobicContact CD1-CG1 3.75Å; L101-V144 HydrophobicContact CD2-CG1 4.27Å; L101-V144 HydrophobicContact CG-CG1 3.82Å; L101-T145 PolarHBondContact N-O 3.15Å; L101-A146 CarbonylContact O-C 3.36Å; L101-A146 WeakPolarHBondContact O-CA 3.44Å; L101-Y147 PolarHBondContact O-N 3.2Å
102	H	98.6	Very high	98	Very high	12 Å²	12	28.8 Å²	28.8	6%	0.056	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	128.3	173.4	164.5	-98.7	0	0	0	111.1	L76 V77 S78 G79 L80 Y147 G149 L151	L76-H102 HydrophobicContact CD1-CB 4.02Å; V77-H102 PolarHBondContact O-N 3.17Å; S78-H102 CarbonylContact C-O 3.55Å; S78-H102 WeakPolarHBondContact CA-O 3.38Å; S78-H102 PolarHBondContact OG-ND1 3.48Å; G79-H102 PolarHBondContact N-O 3.27Å; L80-H102 WeakPolarHBondContact CD2-O 3.45Å; H102-Y147 VanDerWaalsContact CA-O 3.29Å; H102-Y147 WeakPolarHBondContact CA-O 3.31Å; H102-Y147 AromaticContact CD2-CD1 3.73Å; H102-Y147 PolarHBondContact CD2-O 3.23Å; H102-G149 PolarHBondContact CD2-O 2.79Å; H102-G149 PolarHBondContact NE2-O 2.69Å; H102-L151 HydrophobicContact CB-CD2 4.27Å
103	D	98.1	Very high	98	Very high	10 Å²	10	28.8 Å²	28.8	5%	0.053	15%	0.151	C	C	.	.			trans	-156.6	142	169.1	-156.2	-17.3	0	0	0	110.8	L80 G105 N126 R127 A128 Y147	L80-D103 HydrophobicContact CB-CB 4.17Å; L80-D103 HydrophobicContact CD2-CB 4.41Å; L80-D103 PolarHBondContact N-OD2 3.01Å; D103-G105 PolarHBondContact OD1-N 3.2Å; D103-N126 PolarHBondContact O-ND2 3.16Å; D103-R127 VanDerWaalsContact CG-NH2 3.33Å; D103-R127 IonicContact OD1-CZ 2.79Å; D103-R127 IonicContact OD1-NE 3.29Å; D103-R127 IonicContact OD1-NH2 2.87Å; D103-R127 PolarHBondContact OD1-NH2 3.38Å; D103-R127 WeakPolarHBondContact OD2-CB 3.42Å; D103-R127 IonicContact OD2-CZ 2.86Å; D103-R127 IonicContact OD2-NE 3.93Å; D103-R127 PolarHBondContact OD2-NE 3.08Å; D103-R127 IonicContact OD2-NH2 3.81Å; D103-R127 PolarHBondContact OD2-NH2 3.3Å; D103-A128 HydrophobicContact CB-CB 3.91Å; D103-Y147 PolarHBondContact N-O 3.48Å
104	Q	96.2	Very high	98	Very high	118 Å²	118	28.9 Å²	28.9	55%	0.551	15%	0.152	S	C	*	.			trans	-107.2	-13.4	174.2	-64.1	-176.9	8.4	0	0	112.3	G149	Q104-G149 PolarHBondContact NE2-O 2.95Å; Q104-G149 VanDerWaalsContact NE2-O 3.13Å
105	G	94.5	Very high	98.1	Very high	24 Å²	24	28.8 Å²	28.8	25%	0.247	15%	0.151	C	C	.	.	S	Bend	trans	-75.9	150.4	-180	0	0	0	0	0	113.2	D103	D103-G105 PolarHBondContact OD1-N 3.2Å
106	T	97.4	Very high	98.1	Very high	70 Å²	70	28.7 Å²	28.7	43%	0.429	15%	0.15	S	C	.	.	B	Isolated β-bridge	trans	-82.5	149.8	167.8	55.4	0	0	0	0	110.5	Q108 K125	T106-Q108 PolarHBondContact O-N 3.24Å; T106-K125 CarbonylContact C-O 3.55Å; T106-K125 WeakPolarHBondContact CA-O 3.16Å
107	A	98.3	Very high	98.1	Very high	2 Å²	2	28.8 Å²	28.8	2%	0.017	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-64	116.2	171.1	0	0	0	0	0	110.4	L118 D122 I123 G124 K125 R127	A107-L118 HydrophobicContact CB-CD1 3.66Å; A107-L118 HydrophobicContact CB-CD2 3.82Å; A107-L118 HydrophobicContact CB-CG 4.37Å; A107-D122 WeakPolarHBondContact CB-O 3.48Å; A107-I123 WeakPolarHBondContact O-CA 3.44Å; A107-G124 PolarHBondContact O-N 2.86Å; A107-K125 PolarHBondContact N-O 3.34Å; A107-R127 HydrophobicContact CB-CG 4Å
108	Q	97.9	Very high	98.1	Very high	102 Å²	102	23.7 Å²	23.7	48%	0.477	13%	0.128	S	C	.	.			trans	-108.8	162.6	176.4	-61.8	-176.5	9.8	0	0	111.5	T106 A110 D111 L112	T106-Q108 PolarHBondContact O-N 3.24Å; Q108-A110 VanDerWaalsContact C-N 3.29Å; Q108-A110 PolarHBondContact O-N 3.38Å; Q108-D111 PolarHBondContact N-OD2 2.84Å; Q108-D111 WeakPolarHBondContact O-CB 3.5Å; Q108-D111 PolarHBondContact O-N 3.23Å; Q108-L112 WeakPolarHBondContact O-CD1 3.24Å
109	W	98.2	Very high	98.1	Very high	85 Å²	85	24.7 Å²	24.7	32%	0.322	13%	0.128	S	C	.	.	G	3₁₀ helix	trans	-52.1	-45.1	177.4	-76.5	105.2	0	0	0	113.4	D111 L112 E120 I123 Q448	W109-D111 PolarHBondContact O-N 3.01Å; W109-L112 PolarHBondContact O-N 2.81Å; W109-E120 HydrophobicContact CZ3-CG 4.17Å; W109-I123 HydrophobicContact CD2-CD1 3.45Å; W109-I123 VanDerWaalsContact CD2-CD1 3.45Å; W109-I123 HydrophobicContact CE3-CD1 3.6Å; W109-I123 HydrophobicContact CG-CD1 4.1Å; W109-I123 HydrophobicContact CH2-CD1 3.69Å; W109-I123 HydrophobicContact CZ2-CD1 3.53Å; W109-I123 HydrophobicContact CZ3-CD1 3.73Å; W109-Q448 HydrophobicContact CG-CB 4.3Å
110	A	97.6	Very high	98.1	Very high	25 Å²	25	28 Å²	28	21%	0.207	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-64.8	-22	-179.9	0	0	0	0	0	113.7	Q108 L112 S113 D452	Q108-A110 VanDerWaalsContact C-N 3.29Å; Q108-A110 PolarHBondContact O-N 3.38Å; A110-L112 VanDerWaalsContact C-N 3.31Å; A110-L112 PolarHBondContact O-N 3.04Å; A110-S113 PolarHBondContact O-N 3.07Å; A110-S113 PolarHBondContact O-OG 3.25Å; A110-D452 HydrophobicContact CB-CB 4.24Å
111	D	98.3	Very high	98.1	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-73	-25.4	179.6	-58.3	-28.8	0	0	0	111.6	R81 Q108 W109 S113 Q115 L118 R127	R81-D111 IonicContact CZ-OD1 2.71Å; R81-D111 IonicContact NE-OD1 3.47Å; R81-D111 PolarHBondContact NE-OD1 3.48Å; R81-D111 IonicContact NH2-OD1 3.57Å; R81-D111 PolarHBondContact NH2-OD1 2.94Å; Q108-D111 PolarHBondContact N-OD2 2.84Å; Q108-D111 WeakPolarHBondContact O-CB 3.5Å; Q108-D111 PolarHBondContact O-N 3.23Å; W109-D111 PolarHBondContact O-N 3.01Å; D111-S113 PolarHBondContact O-N 2.84Å; D111-Q115 WeakPolarHBondContact O-CB 3.45Å; D111-Q115 PolarHBondContact O-N 3.45Å; D111-Q115 VanDerWaalsContact O-N 3.07Å; D111-L118 HydrophobicContact CB-CD1 3.94Å; D111-R127 IonicContact OD1-NH1 3.91Å; D111-R127 PolarHBondContact OD1-NH1 3.22Å; D111-R127 WeakPolarHBondContact OD2-CD 3.44Å; D111-R127 IonicContact OD2-CZ 2.64Å; D111-R127 IonicContact OD2-NH1 3.54Å; D111-R127 PolarHBondContact OD2-NH1 2.83Å
112	L	98.7	Very high	98	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.01	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-72.5	-9.6	-179.8	-80.4	71.9	0	0	0	113.2	Q108 W109 A110 S114 L118 E120 I123 R450	Q108-L112 WeakPolarHBondContact O-CD1 3.24Å; W109-L112 PolarHBondContact O-N 2.81Å; A110-L112 VanDerWaalsContact C-N 3.31Å; A110-L112 PolarHBondContact O-N 3.04Å; L112-S114 PolarHBondContact O-N 3.46Å; L112-L118 HydrophobicContact CD1-CB 4.02Å; L112-L118 HydrophobicContact CD1-CD1 4.07Å; L112-L118 HydrophobicContact CG-CB 4.13Å; L112-E120 HydrophobicContact CD2-CB 4.46Å; L112-E120 HydrophobicContact CD2-CG 3.68Å; L112-I123 HydrophobicContact CD1-CG1 4.34Å; L112-R450 CarbonylContact C-O 3.53Å; L112-R450 HydrophobicContact CB-CB 3.81Å; L112-R450 HydrophobicContact CD2-CB 4.09Å
113	S	98.7	Very high	98	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-66.5	-14.6	178	-63.5	0	0	0	0	112.7	A110 D111 D393 R450 Y451 G453	A110-S113 PolarHBondContact O-N 3.07Å; A110-S113 PolarHBondContact O-OG 3.25Å; D111-S113 PolarHBondContact O-N 2.84Å; S113-D393 WeakPolarHBondContact CB-O 3.19Å; S113-R450 VanDerWaalsContact CA-O 3.22Å; S113-R450 WeakPolarHBondContact CA-O 3.45Å; S113-R450 PolarHBondContact N-O 2.98Å; S113-R450 PolarHBondContact OG-O 3.34Å; S113-Y451 VanDerWaalsContact OG-C 3.28Å; S113-Y451 WeakPolarHBondContact OG-CA 3.48Å; S113-G453 WeakPolarHBondContact OG-CA 3.43Å; S113-G453 PolarHBondContact OG-N 2.8Å
114	S	98.7	Very high	98	Very high	4 Å²	4	38.6 Å²	38.6	3%	0.028	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-149.4	-21.1	-179.8	70	0	0	0	0	114.5	G82 L112 F116 D393 N398	G82-S114 WeakPolarHBondContact CA-OG 3.36Å; L112-S114 PolarHBondContact O-N 3.46Å; S114-F116 PolarHBondContact O-N 2.93Å; S114-F116 VanDerWaalsContact O-N 3.09Å; S114-D393 VanDerWaalsContact OG-CG 3.27Å; S114-D393 PolarHBondContact OG-OD1 3.26Å; S114-D393 PolarHBondContact OG-OD2 3.33Å; S114-N398 WeakPolarHBondContact CB-ND2 3.32Å; S114-N398 PolarHBondContact OG-ND2 3.08Å
115	Q	98.7	Very high	98.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.2	C	C	.	.			trans	-81.6	87.4	180	-168.5	175.1	-1.9	0	0	112.2	L80 V85 D111 Y117 L118 S131	L80-Q115 PolarHBondContact O-NE2 3.14Å; L80-Q115 PolarHBondContact O-OE1 3.1Å; V85-Q115 HydrophobicContact CB-CG 4.31Å; V85-Q115 HydrophobicContact CG1-CB 4.4Å; V85-Q115 HydrophobicContact CG1-CG 3.84Å; D111-Q115 WeakPolarHBondContact O-CB 3.45Å; D111-Q115 PolarHBondContact O-N 3.45Å; D111-Q115 VanDerWaalsContact O-N 3.07Å; Q115-Y117 PolarHBondContact O-N 3.01Å; Q115-L118 HydrophobicContact CB-CD1 4.32Å; Q115-L118 HydrophobicContact CB-CG 4.36Å; Q115-L118 HydrophobicContact CG-CB 4.39Å; Q115-L118 HydrophobicContact CG-CD1 4.18Å; Q115-L118 HydrophobicContact CG-CG 3.86Å; Q115-L118 PolarHBondContact O-N 3.36Å; Q115-S131 PolarHBondContact NE2-OG 3.41Å
116	F	98.7	Very high	98.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-2.2	-176.4	54.2	-95.1	0	0	0	116.5	V85 E86 K89 S114 K485 M489 F517 M539	V85-F116 HydrophobicContact CB-CZ 4.5Å; V85-F116 HydrophobicContact CG1-CD1 4.16Å; V85-F116 HydrophobicContact CG1-CE1 3.69Å; V85-F116 HydrophobicContact CG1-CZ 3.98Å; V85-F116 HydrophobicContact CG2-CE1 4.49Å; V85-F116 HydrophobicContact CG2-CE2 4.13Å; V85-F116 HydrophobicContact CG2-CZ 3.93Å; E86-F116 WeakPolarHBondContact OE2-CE1 3.44Å; K89-F116 HydrophobicContact CB-CZ 4.14Å; K89-F116 HydrophobicContact CD-CE2 4.21Å; K89-F116 HydrophobicContact CD-CZ 3.8Å; S114-F116 PolarHBondContact O-N 2.93Å; S114-F116 VanDerWaalsContact O-N 3.09Å; F116-K485 HydrophobicContact CB-CD 4.49Å; F116-K485 HydrophobicContact CB-CG 3.9Å; F116-K485 HydrophobicContact CD1-CD 3.79Å; F116-K485 HydrophobicContact CD1-CG 3.96Å; F116-K485 HydrophobicContact CE1-CD 4.36Å; F116-K485 HydrophobicContact CG-CD 4.31Å; F116-K485 HydrophobicContact CG-CG 3.95Å; F116-M489 HydrophobicContact CB-CE 4.26Å; F116-M489 HydrophobicContact CB-CG 4.33Å; F116-M489 HydrophobicContact CB-SD 3.92Å; F116-F517 HydrophobicContact CD2-CE2 4.13Å; F116-F517 HydrophobicContact CE2-CE2 4.02Å; F116-M539 HydrophobicContact CB-SD 3.96Å; F116-M539 HydrophobicContact CD2-CE 4.37Å; F116-M539 WeakPolarHBondContact O-CG 3.34Å
117	Y	98.7	Very high	98.4	Very high	5 Å²	5	35.4 Å²	35.4	2%	0.02	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-8.3	176.8	-77.9	-20.4	0	0	0	115.1	V85 Q115 R134 L135 L138 M539	V85-Y117 HydrophobicContact CG2-CD2 3.71Å; V85-Y117 HydrophobicContact CG2-CE2 4.47Å; V85-Y117 HydrophobicContact CG2-CG 4.41Å; Q115-Y117 PolarHBondContact O-N 3.01Å; Y117-R134 HydrophobicContact CD1-CB 3.85Å; Y117-R134 HydrophobicContact CD1-CG 4.46Å; Y117-R134 HydrophobicContact CD2-CB 3.9Å; Y117-R134 HydrophobicContact CE1-CB 4.03Å; Y117-R134 HydrophobicContact CE2-CB 4.06Å; Y117-R134 HydrophobicContact CG-CB 3.79Å; Y117-R134 VanDerWaalsContact O-CD 3.32Å; Y117-R134 WeakPolarHBondContact O-CD 3.5Å; Y117-R134 PolarHBondContact O-NE 3.06Å; Y117-L135 HydrophobicContact CD2-CD2 4.04Å; Y117-L135 HydrophobicContact CD2-CG 3.88Å; Y117-L135 HydrophobicContact CE2-CD2 3.69Å; Y117-L135 HydrophobicContact CE2-CG 3.83Å; Y117-L138 HydrophobicContact CE2-CD1 4.48Å; Y117-L138 VanDerWaalsContact OH-CD2 3.23Å; Y117-L138 WeakPolarHBondContact OH-CD2 3.34Å; Y117-M539 HydrophobicContact CE1-CE 4.47Å
118	L	98.7	Very high	98.4	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	18%	0.178	C	C	.	.			trans	-81.2	133	163.1	-71.2	-179	0	0	0	110	A107 D111 L112 Q115 D122 R127 V130	A107-L118 HydrophobicContact CB-CD1 3.66Å; A107-L118 HydrophobicContact CB-CD2 3.82Å; A107-L118 HydrophobicContact CB-CG 4.37Å; D111-L118 HydrophobicContact CB-CD1 3.94Å; L112-L118 HydrophobicContact CD1-CB 4.02Å; L112-L118 HydrophobicContact CD1-CD1 4.07Å; L112-L118 HydrophobicContact CG-CB 4.13Å; Q115-L118 HydrophobicContact CB-CD1 4.32Å; Q115-L118 HydrophobicContact CB-CG 4.36Å; Q115-L118 HydrophobicContact CG-CB 4.39Å; Q115-L118 HydrophobicContact CG-CD1 4.18Å; Q115-L118 HydrophobicContact CG-CG 3.86Å; Q115-L118 PolarHBondContact O-N 3.36Å; L118-D122 HydrophobicContact CD2-CB 4.17Å; L118-R127 HydrophobicContact CD1-CG 4.23Å; L118-R127 HydrophobicContact CD2-CG 4.47Å; L118-V130 HydrophobicContact CD2-CG1 3.36Å
119	R	98.4	Very high	98.4	Very high	41 Å²	41	35.8 Å²	35.8	16%	0.155	18%	0.18	C	C	.	.			trans	-101.7	161.5	168.9	-50.7	-56.6	-179.4	79.5	-6.1	109	E121 D122 Q538	R119-E121 HydrophobicContact CB-CG 3.83Å; R119-E121 PolarHBondContact O-N 3.01Å; R119-D122 WeakPolarHBondContact CB-OD2 3.47Å; R119-D122 PolarHBondContact N-OD2 3.28Å; R119-D122 VanDerWaalsContact N-OD2 3.08Å; R119-D122 WeakPolarHBondContact O-CB 3.37Å; R119-D122 PolarHBondContact O-N 2.99Å; R119-Q538 VanDerWaalsContact CD-O 3.23Å; R119-Q538 WeakPolarHBondContact CD-O 3.47Å; R119-Q538 PolarHBondContact NE-O 3.03Å; R119-Q538 VanDerWaalsContact NE-O 3.16Å; R119-Q538 PolarHBondContact NH1-O 2.99Å
120	E	97.9	Very high	98.4	Very high	70 Å²	70	32.8 Å²	32.8	33%	0.327	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-60	-30.5	178.5	-71.4	176.1	-159.9	0	0	112.1	W109 L112 D122 I123 R450 H542	W109-E120 HydrophobicContact CZ3-CG 4.17Å; L112-E120 HydrophobicContact CD2-CB 4.46Å; L112-E120 HydrophobicContact CD2-CG 3.68Å; E120-D122 PolarHBondContact O-N 3.33Å; E120-I123 WeakPolarHBondContact O-CD1 3.43Å; E120-I123 WeakPolarHBondContact O-CG1 3.37Å; E120-I123 PolarHBondContact O-N 3.32Å; E120-R450 IonicContact OE1-CZ 2.74Å; E120-R450 IonicContact OE1-NH1 3.83Å; E120-R450 PolarHBondContact OE1-NH1 3.36Å; E120-H542 IonicContact OE1-CE1 3.71Å
121	E	98	Very high	98.4	Very high	149 Å²	149	31.6 Å²	31.6	70%	0.696	16%	0.161	S	C	*	.	G	3₁₀ helix	trans	-72.1	-5.9	173.7	62.5	-177.3	-155.4	0	0	114.9	R119 K125	R119-E121 HydrophobicContact CB-CG 3.83Å; R119-E121 PolarHBondContact O-N 3.01Å; E121-K125 WeakPolarHBondContact O-CE 3.3Å; E121-K125 PolarHBondContact O-NZ 3.48Å; E121-K125 VanDerWaalsContact O-NZ 3.15Å
122	D	98.3	Very high	98.5	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.021	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-97.1	-5.2	-179.8	-63.5	-39.6	0	0	0	113.2	A107 L118 R119 E120 G124 K125 V130 R134	A107-D122 WeakPolarHBondContact CB-O 3.48Å; L118-D122 HydrophobicContact CD2-CB 4.17Å; R119-D122 WeakPolarHBondContact CB-OD2 3.47Å; R119-D122 PolarHBondContact N-OD2 3.28Å; R119-D122 VanDerWaalsContact N-OD2 3.08Å; R119-D122 WeakPolarHBondContact O-CB 3.37Å; R119-D122 PolarHBondContact O-N 2.99Å; E120-D122 PolarHBondContact O-N 3.33Å; D122-G124 PolarHBondContact O-N 3.2Å; D122-K125 HydrophobicContact CB-CD 4.4Å; D122-K125 WeakPolarHBondContact O-CB 2.99Å; D122-K125 WeakPolarHBondContact O-CG 3.22Å; D122-K125 PolarHBondContact O-N 3.03Å; D122-K125 IonicContact OD1-NZ 3.64Å; D122-K125 PolarHBondContact OD1-NZ 3.31Å; D122-V130 HydrophobicContact CB-CG2 3.88Å; D122-V130 WeakPolarHBondContact OD1-CG2 3.39Å; D122-V130 WeakPolarHBondContact OD2-CG2 3.23Å; D122-R134 IonicContact OD2-NH2 3.98Å; D122-R134 PolarHBondContact OD2-NH2 3.48Å
123	I	98.3	Very high	98.5	Very high	57 Å²	57	37.2 Å²	37.2	29%	0.292	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	130.2	178.6	-65.9	173.5	0	0	0	110.4	A107 W109 L112 E120	A107-I123 WeakPolarHBondContact O-CA 3.44Å; W109-I123 HydrophobicContact CD2-CD1 3.45Å; W109-I123 VanDerWaalsContact CD2-CD1 3.45Å; W109-I123 HydrophobicContact CE3-CD1 3.6Å; W109-I123 HydrophobicContact CG-CD1 4.1Å; W109-I123 HydrophobicContact CH2-CD1 3.69Å; W109-I123 HydrophobicContact CZ2-CD1 3.53Å; W109-I123 HydrophobicContact CZ3-CD1 3.73Å; L112-I123 HydrophobicContact CD1-CG1 4.34Å; E120-I123 WeakPolarHBondContact O-CD1 3.43Å; E120-I123 WeakPolarHBondContact O-CG1 3.37Å; E120-I123 PolarHBondContact O-N 3.32Å
124	G	97.8	Very high	98.5	Very high	50 Å²	50	39.6 Å²	39.6	52%	0.515	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.1	-15.4	-176.7	0	0	0	0	0	115.4	A107 D122	A107-G124 PolarHBondContact O-N 2.86Å; D122-G124 PolarHBondContact O-N 3.2Å
125	K	98.5	Very high	98.4	Very high	100 Å²	100	39.4 Å²	39.4	44%	0.435	20%	0.2	S	C	.	.	S	Bend	trans	-78.7	165.4	173.8	-56.4	177.5	-164.6	160.3	0	111.2	T106 A107 E121 D122 V130	T106-K125 CarbonylContact C-O 3.55Å; T106-K125 WeakPolarHBondContact CA-O 3.16Å; A107-K125 PolarHBondContact N-O 3.34Å; E121-K125 WeakPolarHBondContact O-CE 3.3Å; E121-K125 PolarHBondContact O-NZ 3.48Å; E121-K125 VanDerWaalsContact O-NZ 3.15Å; D122-K125 HydrophobicContact CB-CD 4.4Å; D122-K125 WeakPolarHBondContact O-CB 2.99Å; D122-K125 WeakPolarHBondContact O-CG 3.22Å; D122-K125 PolarHBondContact O-N 3.03Å; D122-K125 IonicContact OD1-NZ 3.64Å; D122-K125 PolarHBondContact OD1-NZ 3.31Å; K125-V130 HydrophobicContact CD-CG2 4.5Å
126	N	98.5	Very high	98.4	Very high	26 Å²	26	40.9 Å²	40.9	14%	0.139	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-71.1	131.7	171.8	-180	-83.9	0	0	0	110.8	D103 A128 E129 V130 T148	D103-N126 PolarHBondContact O-ND2 3.16Å; N126-A128 PolarHBondContact O-N 3.49Å; N126-A128 WeakPolarHBondContact OD1-CA 3.45Å; N126-A128 WeakPolarHBondContact OD1-CB 3.39Å; N126-A128 PolarHBondContact OD1-N 2.93Å; N126-E129 HydrophobicContact CB-CB 4.35Å; N126-E129 HydrophobicContact CB-CG 4.25Å; N126-E129 PolarHBondContact OD1-N 3.14Å; N126-E129 VanDerWaalsContact OD1-N 3.15Å; N126-V130 WeakPolarHBondContact O-CG1 3.36Å; N126-V130 PolarHBondContact O-N 3.12Å; N126-T148 HydrophobicContact CB-CG2 4.48Å
127	R	98.7	Very high	98.4	Very high	20 Å²	20	45.2 Å²	45.2	8%	0.075	23%	0.233	C	C	.	.	H	α-helix	trans	-67.7	-33.8	-174.8	-65.7	-178.2	-63.6	-148.1	2.3	113.8	L80 R81 D103 A107 D111 L118 S131	L80-R127 HydrophobicContact CB-CB 4.08Å; R81-R127 VanDerWaalsContact NE-NH1 3.18Å; D103-R127 VanDerWaalsContact CG-NH2 3.33Å; D103-R127 IonicContact OD1-CZ 2.79Å; D103-R127 IonicContact OD1-NE 3.29Å; D103-R127 IonicContact OD1-NH2 2.87Å; D103-R127 PolarHBondContact OD1-NH2 3.38Å; D103-R127 WeakPolarHBondContact OD2-CB 3.42Å; D103-R127 IonicContact OD2-CZ 2.86Å; D103-R127 IonicContact OD2-NE 3.93Å; D103-R127 PolarHBondContact OD2-NE 3.08Å; D103-R127 IonicContact OD2-NH2 3.81Å; D103-R127 PolarHBondContact OD2-NH2 3.3Å; A107-R127 HydrophobicContact CB-CG 4Å; D111-R127 IonicContact OD1-NH1 3.91Å; D111-R127 PolarHBondContact OD1-NH1 3.22Å; D111-R127 WeakPolarHBondContact OD2-CD 3.44Å; D111-R127 IonicContact OD2-CZ 2.64Å; D111-R127 IonicContact OD2-NH1 3.54Å; D111-R127 PolarHBondContact OD2-NH1 2.83Å; L118-R127 HydrophobicContact CD1-CG 4.23Å; L118-R127 HydrophobicContact CD2-CG 4.47Å; R127-S131 WeakPolarHBondContact O-CB 3.36Å; R127-S131 PolarHBondContact O-N 2.89Å; R127-S131 PolarHBondContact O-OG 3.05Å
128	A	98.6	Very high	98.4	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-70.8	-46.4	179.2	0	0	0	0	0	111.4	L80 L101 D103 N126 V130 S131 Q132 A146	L80-A128 HydrophobicContact CD2-CB 4.49Å; L80-A128 HydrophobicContact CG-CB 4.45Å; L101-A128 HydrophobicContact CB-CB 4.13Å; D103-A128 HydrophobicContact CB-CB 3.91Å; N126-A128 PolarHBondContact O-N 3.49Å; N126-A128 WeakPolarHBondContact OD1-CA 3.45Å; N126-A128 WeakPolarHBondContact OD1-CB 3.39Å; N126-A128 PolarHBondContact OD1-N 2.93Å; A128-V130 PolarHBondContact O-N 3.21Å; A128-S131 PolarHBondContact O-N 2.9Å; A128-Q132 WeakPolarHBondContact O-CB 3.49Å; A128-Q132 PolarHBondContact O-N 3.41Å; A128-A146 HydrophobicContact CB-CB 4.26Å
129	E	98.6	Very high	98.4	Very high	112 Å²	112	46.1 Å²	46.1	52%	0.523	24%	0.238	S	C	.	.	H	α-helix	trans	-62.1	-45	179.9	-67.8	-179.3	166.5	0	0	112.2	N126 P133 A146 T148	N126-E129 HydrophobicContact CB-CB 4.35Å; N126-E129 HydrophobicContact CB-CG 4.25Å; N126-E129 PolarHBondContact OD1-N 3.14Å; N126-E129 VanDerWaalsContact OD1-N 3.15Å; E129-P133 WeakPolarHBondContact O-CD 3.38Å; E129-A146 HydrophobicContact CG-CB 4.44Å; E129-T148 HydrophobicContact CG-CG2 3.87Å
130	V	98.4	Very high	98.3	Very high	21 Å²	21	49 Å²	49	13%	0.127	26%	0.264	C	S	.	.	H	α-helix	trans	-74.6	-28.6	-177.2	73.8	0	0	0	0	113.4	L118 D122 K125 N126 A128	L118-V130 HydrophobicContact CD2-CG1 3.36Å; D122-V130 HydrophobicContact CB-CG2 3.88Å; D122-V130 WeakPolarHBondContact OD1-CG2 3.39Å; D122-V130 WeakPolarHBondContact OD2-CG2 3.23Å; K125-V130 HydrophobicContact CD-CG2 4.5Å; N126-V130 WeakPolarHBondContact O-CG1 3.36Å; N126-V130 PolarHBondContact O-N 3.12Å; A128-V130 PolarHBondContact O-N 3.21Å
131	S	98.5	Very high	98.2	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-80.8	-27	178	-56.8	0	0	0	0	112.6	Q115 R127 A128 R134 L135	Q115-S131 PolarHBondContact NE2-OG 3.41Å; R127-S131 WeakPolarHBondContact O-CB 3.36Å; R127-S131 PolarHBondContact O-N 2.89Å; R127-S131 PolarHBondContact O-OG 3.05Å; A128-S131 PolarHBondContact O-N 2.9Å; S131-R134 PolarHBondContact O-N 3.46Å; S131-L135 PolarHBondContact O-N 3.39Å
132	Q	98.7	Very high	98.2	Very high	58 Å²	58	45 Å²	45	27%	0.271	24%	0.241	S	C	.	.	H	α-helix	trans	-50	-52.3	-176.2	-176.7	-79.9	-32.5	0	0	114	L101 A128 R134 L135 A136 V144 A146	L101-Q132 HydrophobicContact CD1-CB 4.26Å; A128-Q132 WeakPolarHBondContact O-CB 3.49Å; A128-Q132 PolarHBondContact O-N 3.41Å; Q132-R134 PolarHBondContact O-N 3.44Å; Q132-L135 PolarHBondContact O-N 2.97Å; Q132-A136 WeakPolarHBondContact O-CB 3.29Å; Q132-A136 PolarHBondContact O-N 3.37Å; Q132-V144 HydrophobicContact CG-CG1 4.23Å; Q132-V144 PolarHBondContact NE2-O 3Å; Q132-A146 HydrophobicContact CB-CB 4.27Å; Q132-A146 HydrophobicContact CG-CB 4.4Å
133	P	98.5	Very high	98.2	Very high	63 Å²	63	48.3 Å²	48.3	41%	0.409	26%	0.263	S	S	.	.	H	α-helix	trans	-65.8	-38.7	-176.7	23.1	-33.1	0	0	0	112	E129 L135 A136 E137	E129-P133 WeakPolarHBondContact O-CD 3.38Å; P133-L135 VanDerWaalsContact C-N 3.35Å; P133-L135 PolarHBondContact O-N 2.89Å; P133-A136 PolarHBondContact O-N 3.46Å; P133-E137 PolarHBondContact O-N 3.4Å
134	R	98.5	Very high	98.3	Very high	50 Å²	50	46 Å²	46	19%	0.189	25%	0.251	C	S	.	.	H	α-helix	trans	-68.3	-35	-179.8	-53.6	-176.1	-164.5	-84.1	3.3	112.2	Y117 D122 S131 Q132	Y117-R134 HydrophobicContact CD1-CB 3.85Å; Y117-R134 HydrophobicContact CD1-CG 4.46Å; Y117-R134 HydrophobicContact CD2-CB 3.9Å; Y117-R134 HydrophobicContact CE1-CB 4.03Å; Y117-R134 HydrophobicContact CE2-CB 4.06Å; Y117-R134 HydrophobicContact CG-CB 3.79Å; Y117-R134 VanDerWaalsContact O-CD 3.32Å; Y117-R134 WeakPolarHBondContact O-CD 3.5Å; Y117-R134 PolarHBondContact O-NE 3.06Å; D122-R134 IonicContact OD2-NH2 3.98Å; D122-R134 PolarHBondContact OD2-NH2 3.48Å; S131-R134 PolarHBondContact O-N 3.46Å; Q132-R134 PolarHBondContact O-N 3.44Å
135	L	98.7	Very high	98.3	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-72.1	-39.3	173.7	-78.6	165.7	0	0	0	111.7	V85 A88 K89 I92 L101 Y117 S131 Q132 P133 E137 L138 V144	V85-L135 HydrophobicContact CG2-CD1 4.35Å; V85-L135 HydrophobicContact CG2-CD2 4.21Å; A88-L135 HydrophobicContact CB-CD1 4.19Å; A88-L135 HydrophobicContact CB-CD2 4.14Å; K89-L135 HydrophobicContact CB-CD2 4.45Å; I92-L135 HydrophobicContact CD1-CB 3.71Å; I92-L135 HydrophobicContact CD1-CD2 3.77Å; I92-L135 HydrophobicContact CD1-CG 4.23Å; L101-L135 HydrophobicContact CD1-CD1 3.41Å; L101-L135 VanDerWaalsContact CD1-CD1 3.41Å; L101-L135 HydrophobicContact CD2-CD1 4.06Å; L101-L135 HydrophobicContact CG-CD1 4.38Å; Y117-L135 HydrophobicContact CD2-CD2 4.04Å; Y117-L135 HydrophobicContact CD2-CG 3.88Å; Y117-L135 HydrophobicContact CE2-CD2 3.69Å; Y117-L135 HydrophobicContact CE2-CG 3.83Å; S131-L135 PolarHBondContact O-N 3.39Å; Q132-L135 PolarHBondContact O-N 2.97Å; P133-L135 VanDerWaalsContact C-N 3.35Å; P133-L135 PolarHBondContact O-N 2.89Å; L135-E137 PolarHBondContact O-N 2.83Å; L135-L138 HydrophobicContact CD2-CD1 3.99Å; L135-L138 WeakPolarHBondContact O-CB 3.41Å; L135-L138 WeakPolarHBondContact O-CG 3.29Å; L135-L138 PolarHBondContact O-N 2.76Å; L135-V144 HydrophobicContact CB-CG1 4.23Å
136	A	98.5	Very high	98.3	Very high	32 Å²	32	44.2 Å²	44.2	26%	0.264	24%	0.243	S	C	.	.	H	α-helix	trans	-63	-27.9	177.7	0	0	0	0	0	113.3	Q132 P133 L138 V144	Q132-A136 WeakPolarHBondContact O-CB 3.29Å; Q132-A136 PolarHBondContact O-N 3.37Å; P133-A136 PolarHBondContact O-N 3.46Å; A136-L138 VanDerWaalsContact C-N 3.27Å; A136-L138 PolarHBondContact O-N 3.48Å; A136-V144 HydrophobicContact CB-CB 4.11Å; A136-V144 HydrophobicContact CB-CG2 4.18Å
137	E	98.2	Very high	98.3	Very high	91 Å²	91	46 Å²	46	43%	0.425	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-20.3	176.2	-74	178.4	-160.1	0	0	114.4	P133 L135 N139 R520	P133-E137 PolarHBondContact O-N 3.4Å; L135-E137 PolarHBondContact O-N 2.83Å; E137-N139 VanDerWaalsContact C-N 3.33Å; E137-N139 PolarHBondContact O-N 3.33Å; E137-R520 IonicContact OE2-CZ 2.74Å; E137-R520 IonicContact OE2-NE 3.61Å; E137-R520 PolarHBondContact OE2-NE 3.25Å; E137-R520 IonicContact OE2-NH2 3.32Å
138	L	98.2	Very high	98.2	Very high	17 Å²	17	48.1 Å²	48.1	9%	0.089	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-36.9	-175.2	-69.3	179.1	0	0	0	112.5	K89 I92 L93 Y117 L135 A136 F517	K89-L138 HydrophobicContact CB-CD1 4.06Å; K89-L138 HydrophobicContact CG-CD1 3.85Å; I92-L138 HydrophobicContact CG2-CB 3.84Å; L93-L138 HydrophobicContact CD2-CB 4.09Å; L93-L138 HydrophobicContact CG-CB 4.5Å; Y117-L138 HydrophobicContact CE2-CD1 4.48Å; Y117-L138 VanDerWaalsContact OH-CD2 3.23Å; Y117-L138 WeakPolarHBondContact OH-CD2 3.34Å; L135-L138 HydrophobicContact CD2-CD1 3.99Å; L135-L138 WeakPolarHBondContact O-CB 3.41Å; L135-L138 WeakPolarHBondContact O-CG 3.29Å; L135-L138 PolarHBondContact O-N 2.76Å; A136-L138 VanDerWaalsContact C-N 3.27Å; A136-L138 PolarHBondContact O-N 3.48Å; L138-F517 HydrophobicContact CD2-CB 3.9Å; L138-F517 HydrophobicContact CD2-CD2 4.21Å
139	N	97.9	Very high	97.9	Very high	7 Å²	7	49 Å²	49	4%	0.037	27%	0.272	C	S	.	.			trans	-150.2	107.9	-176.1	-168.5	-16.1	0	0	0	110.9	Y55 I92 E137 Y141 V142	Y55-N139 PolarHBondContact OH-ND2 3.25Å; I92-N139 HydrophobicContact CG2-CB 3.71Å; I92-N139 WeakPolarHBondContact O-CB 3.47Å; I92-N139 PolarHBondContact O-ND2 2.82Å; E137-N139 VanDerWaalsContact C-N 3.33Å; E137-N139 PolarHBondContact O-N 3.33Å; N139-Y141 PolarHBondContact O-N 3.03Å; N139-Y141 WeakPolarHBondContact OD1-CB 3.37Å; N139-Y141 WeakPolarHBondContact OD1-CD2 3.49Å; N139-Y141 PolarHBondContact OD1-N 2.85Å; N139-Y141 VanDerWaalsContact OD1-N 3.11Å; N139-V142 HydrophobicContact CB-CB 4.42Å; N139-V142 HydrophobicContact CB-CG2 4.17Å; N139-V142 PolarHBondContact O-N 3.02Å
140	S	96.3	Very high	97.6	Very high	102 Å²	102	47.6 Å²	47.6	71%	0.713	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-14.4	-179	55.1	0	0	0	0	114.4
141	Y	97.1	Very high	97.4	Very high	129 Å²	129	47.5 Å²	47.5	51%	0.506	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-15.4	176.3	-64.7	-79	0	0	0	113.4	D51 L54 N139 P143	D51-Y141 HydrophobicContact CB-CE2 4.26Å; D51-Y141 PolarHBondContact OD2-OH 2.79Å; L54-Y141 HydrophobicContact CD2-CD2 3.78Å; L54-Y141 HydrophobicContact CD2-CE2 3.8Å; N139-Y141 PolarHBondContact O-N 3.03Å; N139-Y141 WeakPolarHBondContact OD1-CB 3.37Å; N139-Y141 WeakPolarHBondContact OD1-CD2 3.49Å; N139-Y141 PolarHBondContact OD1-N 2.85Å; N139-Y141 VanDerWaalsContact OD1-N 3.11Å; Y141-P143 WeakPolarHBondContact O-CD 3.49Å
142	V	98.3	Very high	97.2	Very high	5 Å²	5	50.8 Å²	50.8	3%	0.03	29%	0.292	C	S	.	.	S	Bend	trans	-112.6	104.2	-173.5	-174.4	0	0	0	0	109.9	I92 V96 V99 N139 V144	I92-V142 HydrophobicContact CG1-CG1 4.4Å; I92-V142 HydrophobicContact CG2-CB 4.22Å; I92-V142 HydrophobicContact CG2-CG1 4.45Å; I92-V142 WeakPolarHBondContact O-CG2 3.43Å; V96-V142 HydrophobicContact CG2-CG1 3.96Å; V96-V142 WeakPolarHBondContact O-CG2 3.02Å; V99-V142 HydrophobicContact CG2-CG1 4Å; N139-V142 HydrophobicContact CB-CB 4.42Å; N139-V142 HydrophobicContact CB-CG2 4.17Å; N139-V142 PolarHBondContact O-N 3.02Å; V142-V144 PolarHBondContact O-N 3.46Å
143	P	98.4	Very high	97	Very high	75 Å²	75	53 Å²	53	49%	0.487	30%	0.302	S	S	.	.			trans	-64.9	132.5	172.9	27.1	-33.6	0	0	0	110.4	K97 A98 V99 Y141	K97-P143 VanDerWaalsContact O-CD 3.28Å; K97-P143 WeakPolarHBondContact O-CD 3.34Å; A98-P143 WeakPolarHBondContact CA-O 3.43Å; A98-P143 HydrophobicContact CB-CG 3.89Å; V99-P143 PolarHBondContact N-O 2.9Å; Y141-P143 WeakPolarHBondContact O-CD 3.49Å
144	V	98.8	Very high	96.8	Very high	7 Å²	7	56.9 Å²	56.9	4%	0.042	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	127.6	176.5	-172.1	0	0	0	0	109.1	I92 V99 L101 Q132 L135 A136 V142	I92-V144 HydrophobicContact CD1-CG1 4.46Å; I92-V144 HydrophobicContact CD1-CG2 3.63Å; I92-V144 HydrophobicContact CG1-CG2 4.08Å; V99-V144 CarbonylContact O-C 3.57Å; V99-V144 VanDerWaalsContact O-CA 3.26Å; V99-V144 WeakPolarHBondContact O-CA 3.31Å; L101-V144 HydrophobicContact CD1-CG1 3.75Å; L101-V144 HydrophobicContact CD2-CG1 4.27Å; L101-V144 HydrophobicContact CG-CG1 3.82Å; Q132-V144 HydrophobicContact CG-CG1 4.23Å; Q132-V144 PolarHBondContact NE2-O 3Å; L135-V144 HydrophobicContact CB-CG1 4.23Å; A136-V144 HydrophobicContact CB-CB 4.11Å; A136-V144 HydrophobicContact CB-CG2 4.18Å; V142-V144 PolarHBondContact O-N 3.46Å
145	T	98.7	Very high	96.7	Very high	71 Å²	71	56.8 Å²	56.8	44%	0.436	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	157.9	177.8	61.4	0	0	0	0	110.9	V99 T100 L101	V99-T145 PolarHBondContact O-N 3.26Å; T100-T145 CarbonylContact C-O 3.54Å; T100-T145 WeakPolarHBondContact CA-O 3.49Å; T100-T145 PolarHBondContact OG1-OG1 3.02Å; L101-T145 PolarHBondContact N-O 3.15Å
146	A	98.4	Very high	96.7	Very high	42 Å²	42	57 Å²	57	35%	0.347	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	146.8	176.7	0	0	0	0	0	110.9	L101 A128 E129 Q132	L101-A146 CarbonylContact O-C 3.36Å; L101-A146 WeakPolarHBondContact O-CA 3.44Å; A128-A146 HydrophobicContact CB-CB 4.26Å; E129-A146 HydrophobicContact CG-CB 4.44Å; Q132-A146 HydrophobicContact CB-CB 4.27Å; Q132-A146 HydrophobicContact CG-CB 4.4Å
147	Y	98.1	Very high	96.6	Very high	65 Å²	65	58.4 Å²	58.4	26%	0.255	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	126.6	176.4	-172.9	-107.4	0	0	0	109.8	L101 H102 D103 G149 P150 F155	L101-Y147 PolarHBondContact O-N 3.2Å; H102-Y147 VanDerWaalsContact CA-O 3.29Å; H102-Y147 WeakPolarHBondContact CA-O 3.31Å; H102-Y147 AromaticContact CD2-CD1 3.73Å; H102-Y147 PolarHBondContact CD2-O 3.23Å; D103-Y147 PolarHBondContact N-O 3.48Å; Y147-G149 VanDerWaalsContact CE1-C 3.43Å; Y147-G149 WeakPolarHBondContact CE1-O 3.49Å; Y147-P150 WeakPolarHBondContact CE1-O 3.25Å; Y147-P150 PolarHBondContact OH-O 2.94Å; Y147-F155 HydrophobicContact CD1-CD1 4.24Å; Y147-F155 AromaticContact CD1-CE1 3.68Å; Y147-F155 HydrophobicContact CD1-CE1 3.68Å; Y147-F155 HydrophobicContact CD1-CE2 4.21Å; Y147-F155 AromaticContact CD1-CZ 3.65Å; Y147-F155 HydrophobicContact CD1-CZ 3.65Å; Y147-F155 HydrophobicContact CD2-CD2 4.49Å; Y147-F155 AromaticContact CD2-CE2 3.88Å; Y147-F155 HydrophobicContact CD2-CE2 3.88Å; Y147-F155 HydrophobicContact CD2-CZ 4.03Å; Y147-F155 HydrophobicContact CE1-CD1 4.12Å; Y147-F155 HydrophobicContact CE1-CE1 4.04Å; Y147-F155 HydrophobicContact CE1-CE2 4.46Å; Y147-F155 HydrophobicContact CE1-CG 4.36Å; Y147-F155 HydrophobicContact CE1-CZ 4.21Å; Y147-F155 HydrophobicContact CE2-CD2 4.31Å; Y147-F155 HydrophobicContact CE2-CE2 4.15Å; Y147-F155 HydrophobicContact CG-CE1 4.1Å; Y147-F155 AromaticContact CG-CE2 3.92Å; Y147-F155 HydrophobicContact CG-CE2 3.92Å; Y147-F155 AromaticContact CG-CZ 3.56Å; Y147-F155 HydrophobicContact CG-CZ 3.56Å
148	T	96.2	Very high	96.5	Very high	64 Å²	64	56.3 Å²	56.3	39%	0.393	33%	0.333	S	S	.	.			trans	-115.1	2.6	-176	53.1	0	0	0	0	112.9	N126 E129	N126-T148 HydrophobicContact CB-CG2 4.48Å; E129-T148 HydrophobicContact CG-CG2 3.87Å
149	G	93.1	Very high	96.5	Very high	17 Å²	17	56.3 Å²	56.3	18%	0.175	33%	0.332	C	S	.	.	S	Bend	trans	-84.6	178.7	178.9	0	0	0	0	0	113.6	H102 Q104 Y147	H102-G149 PolarHBondContact CD2-O 2.79Å; H102-G149 PolarHBondContact NE2-O 2.69Å; Q104-G149 PolarHBondContact NE2-O 2.95Å; Q104-G149 VanDerWaalsContact NE2-O 3.13Å; Y147-G149 VanDerWaalsContact CE1-C 3.43Å; Y147-G149 WeakPolarHBondContact CE1-O 3.49Å
150	P	92.2	Very high	96.5	Very high	83 Å²	83	59.7 Å²	59.7	54%	0.539	35%	0.348	S	S	.	.			trans	-67.2	142.5	173.6	28.5	-33.9	0	0	0	112.2	Y147 V152	Y147-P150 WeakPolarHBondContact CE1-O 3.25Å; Y147-P150 PolarHBondContact OH-O 2.94Å; P150-V152 VanDerWaalsContact C-N 3.32Å; P150-V152 HydrophobicContact CB-CG1 4.38Å; P150-V152 HydrophobicContact CG-CG1 4.15Å; P150-V152 PolarHBondContact O-N 3.01Å
151	L	93.6	Very high	96.7	Very high	19 Å²	19	54.9 Å²	54.9	10%	0.099	31%	0.314	C	S	.	.			trans	-71.6	84.9	172.4	-69.4	179	0	0	0	110.9	L76 H102 F155 L156 L164	L76-L151 HydrophobicContact CD2-CD2 3.96Å; H102-L151 HydrophobicContact CB-CD2 4.27Å; L151-F155 HydrophobicContact CD2-CD1 4.09Å; L151-F155 HydrophobicContact CD2-CE1 4.01Å; L151-L156 HydrophobicContact CD2-CD2 4.21Å; L151-L164 HydrophobicContact CD1-CD2 4.17Å
152	V	94.9	Very high	96.7	Very high	69 Å²	69	48.7 Å²	48.7	42%	0.418	29%	0.289	S	S	.	.			trans	-87.1	150.6	175.2	-62.2	0	0	0	0	111.6	P150 D154 F155 L156	P150-V152 VanDerWaalsContact C-N 3.32Å; P150-V152 HydrophobicContact CB-CG1 4.38Å; P150-V152 HydrophobicContact CG-CG1 4.15Å; P150-V152 PolarHBondContact O-N 3.01Å; V152-D154 VanDerWaalsContact C-N 3.33Å; V152-D154 PolarHBondContact O-N 2.78Å; V152-F155 HydrophobicContact CG2-CB 3.73Å; V152-F155 WeakPolarHBondContact O-CB 3.47Å; V152-F155 PolarHBondContact O-N 2.88Å; V152-L156 PolarHBondContact O-N 3.5Å
153	E	94.5	Very high	96.8	Very high	104 Å²	104	48.5 Å²	48.5	49%	0.486	29%	0.288	S	S	.	.	H	α-helix	trans	-55.3	-42	-177.4	-69.4	-174	-160.8	0	0	114	F155 L156 S157 F178	E153-F155 PolarHBondContact O-N 3.44Å; E153-L156 PolarHBondContact O-N 2.94Å; E153-S157 PolarHBondContact O-N 2.99Å; E153-S157 PolarHBondContact O-OG 2.98Å; E153-S157 VanDerWaalsContact O-OG 3.04Å; E153-F178 HydrophobicContact CB-CD2 3.9Å; E153-F178 HydrophobicContact CB-CE1 4.45Å; E153-F178 HydrophobicContact CB-CE2 3.51Å; E153-F178 HydrophobicContact CB-CZ 3.82Å; E153-F178 VanDerWaalsContact CD-CD2 3.49Å; E153-F178 HydrophobicContact CG-CD2 3.56Å; E153-F178 HydrophobicContact CG-CE2 3.74Å; E153-F178 HydrophobicContact CG-CG 4.08Å; E153-F178 HydrophobicContact CG-CZ 4.39Å; E153-F178 WeakPolarHBondContact O-CZ 3.35Å; E153-F178 WeakPolarHBondContact OE2-CD2 3.27Å; E153-F178 VanDerWaalsContact OE2-CE2 3.31Å; E153-F178 WeakPolarHBondContact OE2-CE2 3.44Å
154	D	94.2	Very high	96.8	Very high	146 Å²	146	44.9 Å²	44.9	78%	0.781	27%	0.265	S	S	*	.	H	α-helix	trans	-61.5	-34.1	178	-70.6	-29.2	0	0	0	112.1	V152	V152-D154 VanDerWaalsContact C-N 3.33Å; V152-D154 PolarHBondContact O-N 2.78Å
155	F	96.6	Very high	96.8	Very high	48 Å²	48	44.6 Å²	44.6	21%	0.211	26%	0.263	C	S	.	.	H	α-helix	trans	-72	-43.3	177.1	175.8	-106.5	0	0	0	111.2	L76 T100 Y147 L151 V152 E153 S157 G158 F159	L76-F155 HydrophobicContact CD1-CE1 3.91Å; L76-F155 HydrophobicContact CD1-CZ 4.25Å; L76-F155 HydrophobicContact CD2-CE1 4Å; T100-F155 HydrophobicContact CG2-CZ 3.97Å; Y147-F155 HydrophobicContact CD1-CD1 4.24Å; Y147-F155 AromaticContact CD1-CE1 3.68Å; Y147-F155 HydrophobicContact CD1-CE1 3.68Å; Y147-F155 HydrophobicContact CD1-CE2 4.21Å; Y147-F155 AromaticContact CD1-CZ 3.65Å; Y147-F155 HydrophobicContact CD1-CZ 3.65Å; Y147-F155 HydrophobicContact CD2-CD2 4.49Å; Y147-F155 AromaticContact CD2-CE2 3.88Å; Y147-F155 HydrophobicContact CD2-CE2 3.88Å; Y147-F155 HydrophobicContact CD2-CZ 4.03Å; Y147-F155 HydrophobicContact CE1-CD1 4.12Å; Y147-F155 HydrophobicContact CE1-CE1 4.04Å; Y147-F155 HydrophobicContact CE1-CE2 4.46Å; Y147-F155 HydrophobicContact CE1-CG 4.36Å; Y147-F155 HydrophobicContact CE1-CZ 4.21Å; Y147-F155 HydrophobicContact CE2-CD2 4.31Å; Y147-F155 HydrophobicContact CE2-CE2 4.15Å; Y147-F155 HydrophobicContact CG-CE1 4.1Å; Y147-F155 AromaticContact CG-CE2 3.92Å; Y147-F155 HydrophobicContact CG-CE2 3.92Å; Y147-F155 AromaticContact CG-CZ 3.56Å; Y147-F155 HydrophobicContact CG-CZ 3.56Å; L151-F155 HydrophobicContact CD2-CD1 4.09Å; L151-F155 HydrophobicContact CD2-CE1 4.01Å; V152-F155 HydrophobicContact CG2-CB 3.73Å; V152-F155 WeakPolarHBondContact O-CB 3.47Å; V152-F155 PolarHBondContact O-N 2.88Å; E153-F155 PolarHBondContact O-N 3.44Å; F155-S157 PolarHBondContact O-N 3.28Å; F155-G158 PolarHBondContact O-N 3.3Å; F155-F159 HydrophobicContact CD1-CE2 4.05Å; F155-F159 HydrophobicContact CD2-CE2 4.45Å; F155-F159 AromaticContact CE1-CE2 3.69Å; F155-F159 HydrophobicContact CE1-CE2 3.69Å; F155-F159 HydrophobicContact CE1-CZ 4.13Å; F155-F159 HydrophobicContact CE2-CE2 4.12Å; F155-F159 HydrophobicContact CE2-CZ 4.12Å; F155-F159 HydrophobicContact CG-CE2 4.43Å; F155-F159 AromaticContact CZ-CE2 3.73Å; F155-F159 HydrophobicContact CZ-CE2 3.73Å; F155-F159 AromaticContact CZ-CZ 3.73Å; F155-F159 HydrophobicContact CZ-CZ 3.73Å; F155-F159 WeakPolarHBondContact O-CE2 3.45Å
156	L	97.7	Very high	96.3	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.016	25%	0.251	C	S	.	.	H	α-helix	trans	-60.4	-31.7	179.3	-62.6	176.5	0	0	0	112.5	L76 L151 V152 E153 G158 F159 V162 V175 F178	L76-L156 HydrophobicContact CD2-CD2 3.6Å; L151-L156 HydrophobicContact CD2-CD2 4.21Å; V152-L156 PolarHBondContact O-N 3.5Å; E153-L156 PolarHBondContact O-N 2.94Å; L156-G158 PolarHBondContact O-N 3.49Å; L156-F159 PolarHBondContact O-N 3.23Å; L156-F159 VanDerWaalsContact O-N 3.16Å; L156-V162 HydrophobicContact CD2-CG1 4.5Å; L156-V162 HydrophobicContact CD2-CG2 4.33Å; L156-V175 HydrophobicContact CD1-CG1 3.99Å; L156-V175 HydrophobicContact CD1-CG2 4.17Å; L156-F178 HydrophobicContact CB-CD1 4.1Å; L156-F178 HydrophobicContact CB-CE1 3.8Å; L156-F178 HydrophobicContact CD1-CD1 3.97Å; L156-F178 HydrophobicContact CD1-CE1 4.44Å
157	S	96.9	Very high	95.9	Very high	63 Å²	63	41.6 Å²	41.6	44%	0.441	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-15.5	179.6	-59.8	0	0	0	0	114.5	E153 F155 F159 F178	E153-S157 PolarHBondContact O-N 2.99Å; E153-S157 PolarHBondContact O-OG 2.98Å; E153-S157 VanDerWaalsContact O-OG 3.04Å; F155-S157 PolarHBondContact O-N 3.28Å; S157-F159 VanDerWaalsContact C-N 3.32Å; S157-F178 WeakPolarHBondContact OG-CZ 3.5Å
158	G	96.6	Very high	95.7	Very high	47 Å²	47	42.1 Å²	42.1	49%	0.485	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-7.1	177.3	0	0	0	0	0	115.2	F155 L156	F155-G158 PolarHBondContact O-N 3.3Å; L156-G158 PolarHBondContact O-N 3.49Å
159	F	98.5	Very high	95.7	Very high	16 Å²	16	40.2 Å²	40.2	7%	0.07	24%	0.238	C	C	.	.			trans	-114.2	149.5	-171.2	-56.6	-74.3	0	0	0	112.6	L76 T100 F155 L156 S157 V162	L76-F159 HydrophobicContact CB-CB 4.36Å; L76-F159 HydrophobicContact CB-CD1 3.8Å; L76-F159 HydrophobicContact CB-CD2 3.78Å; L76-F159 HydrophobicContact CB-CE1 3.99Å; L76-F159 HydrophobicContact CB-CE2 3.98Å; L76-F159 HydrophobicContact CB-CG 3.69Å; L76-F159 HydrophobicContact CB-CZ 4.08Å; L76-F159 HydrophobicContact CD1-CE2 4.2Å; L76-F159 HydrophobicContact CD1-CZ 4.1Å; L76-F159 HydrophobicContact CD2-CD2 4Å; L76-F159 HydrophobicContact CD2-CE2 3.95Å; L76-F159 HydrophobicContact CG-CD2 4.41Å; L76-F159 HydrophobicContact CG-CE2 4.27Å; L76-F159 HydrophobicContact CG-CZ 4.5Å; T100-F159 HydrophobicContact CG2-CE1 4.36Å; T100-F159 HydrophobicContact CG2-CZ 3.98Å; T100-F159 WeakPolarHBondContact OG1-CE1 3.5Å; F155-F159 HydrophobicContact CD1-CE2 4.05Å; F155-F159 HydrophobicContact CD2-CE2 4.45Å; F155-F159 AromaticContact CE1-CE2 3.69Å; F155-F159 HydrophobicContact CE1-CE2 3.69Å; F155-F159 HydrophobicContact CE1-CZ 4.13Å; F155-F159 HydrophobicContact CE2-CE2 4.12Å; F155-F159 HydrophobicContact CE2-CZ 4.12Å; F155-F159 HydrophobicContact CG-CE2 4.43Å; F155-F159 AromaticContact CZ-CE2 3.73Å; F155-F159 HydrophobicContact CZ-CE2 3.73Å; F155-F159 AromaticContact CZ-CZ 3.73Å; F155-F159 HydrophobicContact CZ-CZ 3.73Å; F155-F159 WeakPolarHBondContact O-CE2 3.45Å; L156-F159 PolarHBondContact O-N 3.23Å; L156-F159 VanDerWaalsContact O-N 3.16Å; S157-F159 VanDerWaalsContact C-N 3.32Å; F159-V162 HydrophobicContact CB-CG2 4.23Å
160	Q	98.4	Very high	95.7	Very high	79 Å²	79	46.5 Å²	46.5	37%	0.369	26%	0.263	S	S	.	.	S	Bend	trans	-89	-33.6	171.4	-74.6	65.6	57.2	0	0	110.8	S74 K185	S74-Q160 PolarHBondContact O-N 3.35Å; Q160-K185 PolarHBondContact O-N 2.82Å
161	V	98.8	Very high	95.8	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	134.1	178.3	-169	0	0	0	0	110.2	S74 V75 L76 K185 V409 A412 C413	S74-V161 PolarHBondContact O-N 3.35Å; V75-V161 WeakPolarHBondContact CA-O 3.33Å; V75-V161 HydrophobicContact CG1-CB 4.32Å; V75-V161 HydrophobicContact CG2-CB 4.32Å; L76-V161 PolarHBondContact N-O 2.81Å; V161-K185 CarbonylContact C-O 3.51Å; V161-K185 VanDerWaalsContact CA-O 3.3Å; V161-K185 WeakPolarHBondContact CA-O 3.26Å; V161-K185 HydrophobicContact CB-CB 4.43Å; V161-K185 HydrophobicContact CG1-CB 4.24Å; V161-K185 HydrophobicContact CG2-CB 4.08Å; V161-K185 HydrophobicContact CG2-CG 4.42Å; V161-V409 HydrophobicContact CB-CG1 4.41Å; V161-V409 HydrophobicContact CG1-CB 4.47Å; V161-V409 HydrophobicContact CG1-CG1 4.09Å; V161-V409 HydrophobicContact CG1-CG2 4.06Å; V161-A412 HydrophobicContact CG1-CB 4.43Å; V161-A412 HydrophobicContact CG2-CB 4.04Å; V161-C413 WeakPolarHBondContact CG2-SG 3.49Å
162	V	98.8	Very high	96	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	124.9	174.3	174.9	0	0	0	0	108.9	L76 L156 F159 L164 V175 I184 K185 L186 V187	L76-V162 HydrophobicContact CB-CG2 4.31Å; L76-V162 HydrophobicContact CD2-CG1 4.12Å; L76-V162 HydrophobicContact CD2-CG2 4.24Å; L156-V162 HydrophobicContact CD2-CG1 4.5Å; L156-V162 HydrophobicContact CD2-CG2 4.33Å; F159-V162 HydrophobicContact CB-CG2 4.23Å; V162-L164 HydrophobicContact CG1-CD2 4.15Å; V162-L164 HydrophobicContact CG1-CG 4.35Å; V162-V175 HydrophobicContact CG1-CG1 4.22Å; V162-I184 HydrophobicContact CB-CG2 4.49Å; V162-I184 HydrophobicContact CG2-CG2 3.76Å; V162-K185 PolarHBondContact N-O 3.4Å; V162-L186 HydrophobicContact CB-CD1 4.4Å; V162-L186 HydrophobicContact CG1-CD1 4.29Å; V162-L186 WeakPolarHBondContact O-CA 3.23Å; V162-V187 PolarHBondContact O-N 3.07Å
163	V	98.9	Very high	96.1	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	124.3	173.3	-170.2	0	0	0	0	109.1	V75 L76 V77 S78 I87 T165 V187 V409	V75-V163 HydrophobicContact CG1-CG2 4.25Å; L76-V163 PolarHBondContact O-N 2.85Å; V77-V163 HydrophobicContact CG2-CB 4.42Å; V77-V163 HydrophobicContact CG2-CG2 4.39Å; S78-V163 WeakPolarHBondContact CB-O 3.06Å; S78-V163 PolarHBondContact N-O 3.38Å; I87-V163 HydrophobicContact CD1-CG1 4.12Å; I87-V163 HydrophobicContact CG2-CG1 4.28Å; V163-T165 HydrophobicContact CG1-CG2 4.03Å; V163-V187 CarbonylContact C-O 3.54Å; V163-V187 VanDerWaalsContact CA-O 3.26Å; V163-V187 WeakPolarHBondContact CA-O 3.42Å; V163-V187 HydrophobicContact CG1-CB 4.38Å; V163-V187 HydrophobicContact CG1-CG1 4.4Å; V163-V187 HydrophobicContact CG2-CB 4.35Å; V163-V409 HydrophobicContact CG2-CG2 3.47Å; V163-V409 VanDerWaalsContact CG2-CG2 3.47Å
164	L	98.7	Very high	96.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	127.6	172.1	-59.9	177.5	0	0	0	109.6	L151 V162 Q172 V175 L186 V187 V188 A189	L151-L164 HydrophobicContact CD1-CD2 4.17Å; V162-L164 HydrophobicContact CG1-CD2 4.15Å; V162-L164 HydrophobicContact CG1-CG 4.35Å; L164-Q172 HydrophobicContact CD1-CB 4.27Å; L164-Q172 HydrophobicContact CD1-CG 4.15Å; L164-V175 HydrophobicContact CD1-CB 3.96Å; L164-V175 HydrophobicContact CD1-CG1 3.88Å; L164-V175 HydrophobicContact CD2-CG1 4.32Å; L164-V175 HydrophobicContact CG-CG1 4.44Å; L164-L186 HydrophobicContact CD1-CD1 4.08Å; L164-L186 HydrophobicContact CG-CD1 4.24Å; L164-V187 PolarHBondContact N-O 3.09Å; L164-V188 HydrophobicContact CB-CG1 4.4Å; L164-V188 HydrophobicContact CB-CG2 4.21Å; L164-V188 HydrophobicContact CD1-CG2 4.28Å; L164-V188 WeakPolarHBondContact O-CA 3.28Å; L164-A189 PolarHBondContact O-N 3.39Å
165	T	98.4	Very high	96.5	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.006	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	135.3	174.9	68.7	0	0	0	0	111.2	S78 G79 L83 I87 V163 T167 A189	S78-T165 PolarHBondContact O-N 2.93Å; S78-T165 PolarHBondContact O-OG1 3.05Å; G79-T165 PolarHBondContact O-OG1 3.27Å; L83-T165 HydrophobicContact CD2-CG2 4.18Å; L83-T165 HydrophobicContact CG-CG2 4.21Å; I87-T165 HydrophobicContact CD1-CG2 3.74Å; V163-T165 HydrophobicContact CG1-CG2 4.03Å; T165-T167 PolarHBondContact O-N 3.2Å; T165-T167 PolarHBondContact O-OG1 3.36Å; T165-A189 VanDerWaalsContact CA-O 3.26Å; T165-A189 WeakPolarHBondContact CA-O 3.47Å
166	N	88.9	Confident	96.6	Very high	34 Å²	34	34.8 Å²	34.8	18%	0.182	19%	0.19	C	C	.	.	S	Bend	trans	53	26.2	178.7	-55	123.5	0	0	0	114.4	D190	N166-D190 WeakPolarHBondContact CA-OD1 3.26Å; N166-D190 PolarHBondContact N-OD1 3.45Å
167	T	90.5	Very high	96.6	Very high	15 Å²	15	39.4 Å²	39.4	9%	0.092	21%	0.211	C	C	.	.			trans	-86.9	141.9	179	-58.3	0	0	0	0	110.2	T165 D171 Q172	T165-T167 PolarHBondContact O-N 3.2Å; T165-T167 PolarHBondContact O-OG1 3.36Å; T167-D171 HydrophobicContact CG2-CB 3.55Å; T167-Q172 HydrophobicContact CG2-CG 4.11Å; T167-Q172 PolarHBondContact O-NE2 3.11Å
168	P	94.2	Very high	96.6	Very high	77 Å²	77	37.3 Å²	37.3	50%	0.5	19%	0.194	S	C	.	.			trans	-56.7	144.1	173.2	-24	34.3	0	0	0	112.8	E170 D171 Q172	P168-E170 VanDerWaalsContact C-N 3.25Å; P168-E170 PolarHBondContact O-N 2.94Å; P168-D171 PolarHBondContact O-N 3.45Å; P168-D171 VanDerWaalsContact O-N 3.08Å; P168-Q172 WeakPolarHBondContact O-CG 3.46Å; P168-Q172 PolarHBondContact O-N 3.26Å
169	L	94.9	Very high	96.7	Very high	24 Å²	24	35 Å²	35	13%	0.126	17%	0.171	C	C	.	.	H	α-helix	trans	-55.3	-38.2	-177.7	-174.2	56.7	0	0	0	113.3	D171 Q172 L173 L306 L310 H337	L169-D171 VanDerWaalsContact C-N 3.31Å; L169-D171 PolarHBondContact O-N 3.42Å; L169-Q172 HydrophobicContact CD1-CB 4.5Å; L169-Q172 WeakPolarHBondContact O-CB 3.4Å; L169-Q172 PolarHBondContact O-N 3.49Å; L169-Q172 VanDerWaalsContact O-N 3.12Å; L169-L173 HydrophobicContact CD1-CG 4.23Å; L169-L173 HydrophobicContact CG-CD1 4.05Å; L169-L173 HydrophobicContact CG-CG 4.24Å; L169-L173 VanDerWaalsContact O-CG 3.25Å; L169-L173 WeakPolarHBondContact O-CG 3.39Å; L169-L173 PolarHBondContact O-N 2.72Å; L169-L306 HydrophobicContact CD1-CD2 4.36Å; L169-L310 HydrophobicContact CD1-CD2 4.38Å; L169-L310 HydrophobicContact CD2-CD2 4.17Å; L169-H337 HydrophobicContact CB-CB 3.76Å; L169-H337 HydrophobicContact CD2-CB 4.29Å
170	E	93.8	Very high	96.7	Very high	149 Å²	149	35.9 Å²	35.9	70%	0.696	18%	0.175	S	C	*	.	H	α-helix	trans	-59.2	-42.4	179	-63.9	-177.3	-179.2	0	0	112.2	P168 L173 R174	P168-E170 VanDerWaalsContact C-N 3.25Å; P168-E170 PolarHBondContact O-N 2.94Å; E170-L173 PolarHBondContact O-N 3.09Å; E170-R174 PolarHBondContact O-N 2.98Å
171	D	94.1	Very high	96.7	Very high	57 Å²	57	38.2 Å²	38.2	31%	0.305	19%	0.19	S	C	.	.	H	α-helix	trans	-71.4	-36.5	175.1	-80.9	-31.4	0	0	0	111.5	T167 P168 L169 L173 R174 V175	T167-D171 HydrophobicContact CG2-CB 3.55Å; P168-D171 PolarHBondContact O-N 3.45Å; P168-D171 VanDerWaalsContact O-N 3.08Å; L169-D171 VanDerWaalsContact C-N 3.31Å; L169-D171 PolarHBondContact O-N 3.42Å; D171-L173 VanDerWaalsContact C-N 3.34Å; D171-R174 PolarHBondContact O-N 3.06Å; D171-R174 IonicContact OD1-CZ 3.59Å; D171-R174 IonicContact OD1-NH1 2.68Å; D171-R174 PolarHBondContact OD1-NH1 2.8Å; D171-R174 IonicContact OD1-NH2 3.42Å; D171-R174 PolarHBondContact OD1-NH2 3.47Å; D171-V175 WeakPolarHBondContact O-CB 3.42Å; D171-V175 VanDerWaalsContact O-CG2 3.31Å; D171-V175 WeakPolarHBondContact O-CG2 3.5Å; D171-V175 PolarHBondContact O-N 3.37Å
172	Q	97.6	Very high	96.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61.4	-41.8	174.2	-63.3	-179.7	5.9	0	0	111.6	L164 T167 P168 L169 G176 V188 D190 L306	L164-Q172 HydrophobicContact CD1-CB 4.27Å; L164-Q172 HydrophobicContact CD1-CG 4.15Å; T167-Q172 HydrophobicContact CG2-CG 4.11Å; T167-Q172 PolarHBondContact O-NE2 3.11Å; P168-Q172 WeakPolarHBondContact O-CG 3.46Å; P168-Q172 PolarHBondContact O-N 3.26Å; L169-Q172 HydrophobicContact CD1-CB 4.5Å; L169-Q172 WeakPolarHBondContact O-CB 3.4Å; L169-Q172 PolarHBondContact O-N 3.49Å; L169-Q172 VanDerWaalsContact O-N 3.12Å; Q172-G176 WeakPolarHBondContact O-CA 3.43Å; Q172-G176 PolarHBondContact O-N 2.84Å; Q172-V188 HydrophobicContact CG-CG1 4.28Å; Q172-D190 PolarHBondContact NE2-OD2 3.49Å; Q172-L306 HydrophobicContact CB-CD1 4.25Å
173	L	97.9	Very high	96.5	Very high	44 Å²	44	48.7 Å²	48.7	23%	0.23	24%	0.244	C	C	.	.	H	α-helix	trans	-63.9	-48.4	178	-67.6	165.6	0	0	0	110.9	L169 E170 D171 V175 G176 E177 L306 V307 L310	L169-L173 HydrophobicContact CD1-CG 4.23Å; L169-L173 HydrophobicContact CG-CD1 4.05Å; L169-L173 HydrophobicContact CG-CG 4.24Å; L169-L173 VanDerWaalsContact O-CG 3.25Å; L169-L173 WeakPolarHBondContact O-CG 3.39Å; L169-L173 PolarHBondContact O-N 2.72Å; E170-L173 PolarHBondContact O-N 3.09Å; D171-L173 VanDerWaalsContact C-N 3.34Å; L173-V175 PolarHBondContact O-N 3.41Å; L173-G176 PolarHBondContact O-N 3.14Å; L173-E177 WeakPolarHBondContact O-CG 3.33Å; L173-E177 PolarHBondContact O-N 3.23Å; L173-L306 HydrophobicContact CD2-CD2 3.3Å; L173-L306 HydrophobicContact CG-CD2 4.1Å; L173-V307 HydrophobicContact CD2-CB 4.42Å; L173-V307 HydrophobicContact CD2-CG2 3.63Å; L173-L310 HydrophobicContact CD2-CD2 4.28Å
174	R	97.8	Very high	96.5	Very high	119 Å²	119	49.4 Å²	49.4	45%	0.449	25%	0.247	S	C	.	.	H	α-helix	trans	-57.8	-51.5	177.1	-177.8	-174.1	69	-124.6	-7.4	111.8	E170 D171 G176 F178	E170-R174 PolarHBondContact O-N 2.98Å; D171-R174 PolarHBondContact O-N 3.06Å; D171-R174 IonicContact OD1-CZ 3.59Å; D171-R174 IonicContact OD1-NH1 2.68Å; D171-R174 PolarHBondContact OD1-NH1 2.8Å; D171-R174 IonicContact OD1-NH2 3.42Å; D171-R174 PolarHBondContact OD1-NH2 3.47Å; R174-G176 VanDerWaalsContact C-N 3.31Å; R174-G176 PolarHBondContact O-N 3.32Å; R174-F178 PolarHBondContact O-N 2.98Å
175	V	98	Very high	96.5	Very high	3 Å²	3	51.2 Å²	51.2	2%	0.018	26%	0.255	C	S	.	.	H	α-helix	trans	-66.5	-37.6	-179.2	173.6	0	0	0	0	110.6	L156 V162 L164 D171 L173 F178 C179 L186	L156-V175 HydrophobicContact CD1-CG1 3.99Å; L156-V175 HydrophobicContact CD1-CG2 4.17Å; V162-V175 HydrophobicContact CG1-CG1 4.22Å; L164-V175 HydrophobicContact CD1-CB 3.96Å; L164-V175 HydrophobicContact CD1-CG1 3.88Å; L164-V175 HydrophobicContact CD2-CG1 4.32Å; L164-V175 HydrophobicContact CG-CG1 4.44Å; D171-V175 WeakPolarHBondContact O-CB 3.42Å; D171-V175 VanDerWaalsContact O-CG2 3.31Å; D171-V175 WeakPolarHBondContact O-CG2 3.5Å; D171-V175 PolarHBondContact O-N 3.37Å; L173-V175 PolarHBondContact O-N 3.41Å; V175-F178 PolarHBondContact O-N 3.14Å; V175-C179 WeakPolarHBondContact O-CB 3.32Å; V175-C179 PolarHBondContact O-N 3Å; V175-C179 PolarHBondContact O-SG 2.84Å; V175-L186 HydrophobicContact CG1-CD1 4.36Å
176	G	98	Very high	96.5	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-65.5	-45.7	-179.4	0	0	0	0	0	113.1	Q172 L173 R174 F178 C179 H180	Q172-G176 WeakPolarHBondContact O-CA 3.43Å; Q172-G176 PolarHBondContact O-N 2.84Å; L173-G176 PolarHBondContact O-N 3.14Å; R174-G176 VanDerWaalsContact C-N 3.31Å; R174-G176 PolarHBondContact O-N 3.32Å; G176-F178 PolarHBondContact O-N 3Å; G176-C179 PolarHBondContact O-N 3.04Å; G176-H180 VanDerWaalsContact O-CB 3.29Å; G176-H180 WeakPolarHBondContact O-CB 3.42Å; G176-H180 PolarHBondContact O-N 3.12Å
177	E	98.1	Very high	97	Very high	99 Å²	99	49.6 Å²	49.6	46%	0.463	25%	0.247	S	C	.	.	H	α-helix	trans	-59	-46.5	173.5	-74.2	-177.3	-175.1	0	0	111.8	L173 N181 V307	L173-E177 WeakPolarHBondContact O-CG 3.33Å; L173-E177 PolarHBondContact O-N 3.23Å; E177-N181 WeakPolarHBondContact O-CB 3.42Å; E177-N181 PolarHBondContact O-N 2.83Å; E177-N181 VanDerWaalsContact O-N 3.13Å; E177-N181 PolarHBondContact O-ND2 3.13Å; E177-N181 VanDerWaalsContact O-ND2 3.09Å; E177-V307 HydrophobicContact CG-CG2 3.84Å; E177-V307 WeakPolarHBondContact OE1-CG2 3.28Å
178	F	98.2	Very high	97.4	Very high	19 Å²	19	48.9 Å²	48.9	8%	0.083	24%	0.242	C	C	.	.	H	α-helix	trans	-61	-48.7	178.8	179.6	-94.5	0	0	0	111.9	E153 L156 S157 R174 V175 G176 N181 R182 I184	E153-F178 HydrophobicContact CB-CD2 3.9Å; E153-F178 HydrophobicContact CB-CE1 4.45Å; E153-F178 HydrophobicContact CB-CE2 3.51Å; E153-F178 HydrophobicContact CB-CZ 3.82Å; E153-F178 VanDerWaalsContact CD-CD2 3.49Å; E153-F178 HydrophobicContact CG-CD2 3.56Å; E153-F178 HydrophobicContact CG-CE2 3.74Å; E153-F178 HydrophobicContact CG-CG 4.08Å; E153-F178 HydrophobicContact CG-CZ 4.39Å; E153-F178 WeakPolarHBondContact O-CZ 3.35Å; E153-F178 WeakPolarHBondContact OE2-CD2 3.27Å; E153-F178 VanDerWaalsContact OE2-CE2 3.31Å; E153-F178 WeakPolarHBondContact OE2-CE2 3.44Å; L156-F178 HydrophobicContact CB-CD1 4.1Å; L156-F178 HydrophobicContact CB-CE1 3.8Å; L156-F178 HydrophobicContact CD1-CD1 3.97Å; L156-F178 HydrophobicContact CD1-CE1 4.44Å; S157-F178 WeakPolarHBondContact OG-CZ 3.5Å; R174-F178 PolarHBondContact O-N 2.98Å; V175-F178 PolarHBondContact O-N 3.14Å; G176-F178 PolarHBondContact O-N 3Å; F178-N181 PolarHBondContact O-N 2.82Å; F178-R182 HydrophobicContact CD2-CG 4.33Å; F178-R182 HydrophobicContact CE1-CG 4.16Å; F178-R182 HydrophobicContact CE2-CG 3.97Å; F178-R182 HydrophobicContact CZ-CG 3.88Å; F178-R182 WeakPolarHBondContact O-CB 3.49Å; F178-R182 VanDerWaalsContact O-CG 3.31Å; F178-R182 WeakPolarHBondContact O-CG 3.33Å; F178-R182 PolarHBondContact O-N 2.78Å; F178-R182 VanDerWaalsContact O-N 3.15Å; F178-I184 HydrophobicContact CD1-CD1 4.43Å; F178-I184 HydrophobicContact CE1-CD1 3.94Å
179	C	98.4	Very high	97.6	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-63	-48	-177.6	-69.1	0	0	0	0	111.4	V175 G176 N181 R182 G183 I184 L186	V175-C179 WeakPolarHBondContact O-CB 3.32Å; V175-C179 PolarHBondContact O-N 3Å; V175-C179 PolarHBondContact O-SG 2.84Å; G176-C179 PolarHBondContact O-N 3.04Å; C179-N181 PolarHBondContact O-N 3.03Å; C179-R182 PolarHBondContact O-N 2.91Å; C179-G183 PolarHBondContact O-N 2.93Å; C179-I184 CarbonylContact C-O 3.47Å; C179-I184 HydrophobicContact CB-CB 3.93Å; C179-I184 HydrophobicContact CB-CG2 4.23Å; C179-I184 PolarHBondContact O-N 2.85Å; C179-L186 HydrophobicContact CB-CB 4.41Å
180	H	98.4	Very high	97.7	Very high	33 Å²	33	44 Å²	44	15%	0.153	21%	0.212	C	C	.	.	H	α-helix	trans	-55.9	-51	178.9	-172.4	88.2	0	0	0	111.6	G176 R182 G183 D201 F303	G176-H180 VanDerWaalsContact O-CB 3.29Å; G176-H180 WeakPolarHBondContact O-CB 3.42Å; G176-H180 PolarHBondContact O-N 3.12Å; H180-R182 VanDerWaalsContact C-N 3.25Å; H180-R182 PolarHBondContact O-N 3.31Å; H180-G183 PolarHBondContact O-N 3.15Å; H180-D201 WeakPolarHBondContact CB-OD2 3.43Å; H180-D201 IonicContact CE1-OD1 2.97Å; H180-D201 IonicContact CE1-OD2 3.99Å; H180-D201 IonicContact CG-OD2 3.6Å; H180-D201 VanDerWaalsContact ND1-CG 3.28Å; H180-D201 IonicContact ND1-OD1 3.44Å; H180-D201 PolarHBondContact ND1-OD1 3.29Å; H180-D201 IonicContact ND1-OD2 2.74Å; H180-D201 PolarHBondContact ND1-OD2 3.01Å; H180-F303 PolarHBondContact CE1-O 3.4Å
181	N	97.8	Very high	98	Very high	129 Å²	129	37.2 Å²	37.2	69%	0.69	18%	0.181	S	C	*	.	H	α-helix	trans	-69.3	-19.8	-177	-68.4	-25.5	0	0	0	113.9	E177 F178 C179	E177-N181 WeakPolarHBondContact O-CB 3.42Å; E177-N181 PolarHBondContact O-N 2.83Å; E177-N181 VanDerWaalsContact O-N 3.13Å; E177-N181 PolarHBondContact O-ND2 3.13Å; E177-N181 VanDerWaalsContact O-ND2 3.09Å; F178-N181 PolarHBondContact O-N 2.82Å; C179-N181 PolarHBondContact O-N 3.03Å
182	R	97	Very high	98.2	Very high	174 Å²	174	35.7 Å²	35.7	66%	0.657	17%	0.171	S	C	*	.	H	α-helix	trans	-102.8	0.1	179.7	-68.5	-96.8	-176.2	-152	0.7	113.2	F178 C179 H180 I184	F178-R182 HydrophobicContact CD2-CG 4.33Å; F178-R182 HydrophobicContact CE1-CG 4.16Å; F178-R182 HydrophobicContact CE2-CG 3.97Å; F178-R182 HydrophobicContact CZ-CG 3.88Å; F178-R182 WeakPolarHBondContact O-CB 3.49Å; F178-R182 VanDerWaalsContact O-CG 3.31Å; F178-R182 WeakPolarHBondContact O-CG 3.33Å; F178-R182 PolarHBondContact O-N 2.78Å; F178-R182 VanDerWaalsContact O-N 3.15Å; C179-R182 PolarHBondContact O-N 2.91Å; H180-R182 VanDerWaalsContact C-N 3.25Å; H180-R182 PolarHBondContact O-N 3.31Å; R182-I184 VanDerWaalsContact C-N 3.32Å; R182-I184 HydrophobicContact CB-CD1 4.2Å; R182-I184 HydrophobicContact CB-CG1 4.24Å
183	G	96.4	Very high	98.2	Very high	46 Å²	46	35.8 Å²	35.8	47%	0.474	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	20.7	-177.9	0	0	0	0	0	114.5	C179 H180	C179-G183 PolarHBondContact O-N 2.93Å; H180-G183 PolarHBondContact O-N 3.15Å
184	I	98.5	Very high	98.3	Very high	14 Å²	14	33.7 Å²	33.7	7%	0.072	16%	0.16	C	C	.	.			trans	-86.2	131.3	174.3	-58.6	170.5	0	0	0	108.1	V162 F178 C179 R182	V162-I184 HydrophobicContact CB-CG2 4.49Å; V162-I184 HydrophobicContact CG2-CG2 3.76Å; F178-I184 HydrophobicContact CD1-CD1 4.43Å; F178-I184 HydrophobicContact CE1-CD1 3.94Å; C179-I184 CarbonylContact C-O 3.47Å; C179-I184 HydrophobicContact CB-CB 3.93Å; C179-I184 HydrophobicContact CB-CG2 4.23Å; C179-I184 PolarHBondContact O-N 2.85Å; R182-I184 VanDerWaalsContact C-N 3.32Å; R182-I184 HydrophobicContact CB-CD1 4.2Å; R182-I184 HydrophobicContact CB-CG1 4.24Å
185	K	98.7	Very high	98.3	Very high	39 Å²	39	28 Å²	28	17%	0.17	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	133.7	-177.5	-47.8	-54	-178.9	-170.7	0	109.9	Q160 V161 V162 F202 A412	Q160-K185 PolarHBondContact O-N 2.82Å; V161-K185 CarbonylContact C-O 3.51Å; V161-K185 VanDerWaalsContact CA-O 3.3Å; V161-K185 WeakPolarHBondContact CA-O 3.26Å; V161-K185 HydrophobicContact CB-CB 4.43Å; V161-K185 HydrophobicContact CG1-CB 4.24Å; V161-K185 HydrophobicContact CG2-CB 4.08Å; V161-K185 HydrophobicContact CG2-CG 4.42Å; V162-K185 PolarHBondContact N-O 3.4Å; K185-F202 HydrophobicContact CB-CD1 3.81Å; K185-F202 HydrophobicContact CB-CE1 4.35Å; K185-F202 HydrophobicContact CD-CB 3.92Å; K185-F202 HydrophobicContact CD-CD1 4.47Å; K185-F202 HydrophobicContact CD-CG 4.48Å; K185-F202 WeakPolarHBondContact CD-O 3.38Å; K185-F202 PolarHBondContact NZ-O 3.16Å; K185-A412 HydrophobicContact CB-CB 3.9Å; K185-A412 HydrophobicContact CG-CB 4.08Å
186	L	98.8	Very high	98.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	134.4	-177.8	-177	73.4	0	0	0	111	V162 L164 V175 C179 V188 F199 D201 L306	V162-L186 HydrophobicContact CB-CD1 4.4Å; V162-L186 HydrophobicContact CG1-CD1 4.29Å; V162-L186 WeakPolarHBondContact O-CA 3.23Å; L164-L186 HydrophobicContact CD1-CD1 4.08Å; L164-L186 HydrophobicContact CG-CD1 4.24Å; V175-L186 HydrophobicContact CG1-CD1 4.36Å; C179-L186 HydrophobicContact CB-CB 4.41Å; L186-V188 HydrophobicContact CD1-CG2 4.27Å; L186-V188 HydrophobicContact CD2-CG2 4.02Å; L186-V188 HydrophobicContact CG-CG2 3.99Å; L186-F199 HydrophobicContact CD2-CE1 4.24Å; L186-D201 HydrophobicContact CB-CB 4.28Å; L186-D201 PolarHBondContact N-O 3.31Å; L186-D201 PolarHBondContact O-N 3.18Å; L186-L306 HydrophobicContact CD2-CD1 4.09Å
187	V	98.9	Very high	98.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	130.1	166.9	-179.8	0	0	0	0	108.1	V162 V163 L164 L198 F199 F202 A405 E408 V409	V162-V187 PolarHBondContact O-N 3.07Å; V163-V187 CarbonylContact C-O 3.54Å; V163-V187 VanDerWaalsContact CA-O 3.26Å; V163-V187 WeakPolarHBondContact CA-O 3.42Å; V163-V187 HydrophobicContact CG1-CB 4.38Å; V163-V187 HydrophobicContact CG1-CG1 4.4Å; V163-V187 HydrophobicContact CG2-CB 4.35Å; L164-V187 PolarHBondContact N-O 3.09Å; V187-L198 HydrophobicContact CG1-CD1 3.55Å; V187-F199 WeakPolarHBondContact CA-O 3.3Å; V187-F202 HydrophobicContact CG2-CE1 3.76Å; V187-F202 HydrophobicContact CG2-CZ 4.14Å; V187-A405 HydrophobicContact CG1-CB 4.23Å; V187-E408 HydrophobicContact CG2-CB 4.41Å; V187-V409 HydrophobicContact CG2-CG2 4.02Å
188	V	98.9	Very high	98.4	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	127	174.6	-176.4	0	0	0	0	108.7	L164 Q172 L186 L198 F199 L306	L164-V188 HydrophobicContact CB-CG1 4.4Å; L164-V188 HydrophobicContact CB-CG2 4.21Å; L164-V188 HydrophobicContact CD1-CG2 4.28Å; L164-V188 WeakPolarHBondContact O-CA 3.28Å; Q172-V188 HydrophobicContact CG-CG1 4.28Å; L186-V188 HydrophobicContact CD1-CG2 4.27Å; L186-V188 HydrophobicContact CD2-CG2 4.02Å; L186-V188 HydrophobicContact CG-CG2 3.99Å; V188-L198 CarbonylContact O-C 3.6Å; V188-L198 WeakPolarHBondContact O-CA 3.3Å; V188-F199 HydrophobicContact CB-CB 4.23Å; V188-F199 HydrophobicContact CB-CD1 4.35Å; V188-F199 HydrophobicContact CG2-CD1 4.13Å; V188-F199 PolarHBondContact N-O 3.22Å; V188-F199 PolarHBondContact O-N 3.11Å; V188-L306 HydrophobicContact CG2-CD1 3.88Å
189	A	98.8	Very high	98.4	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	131.8	179.9	0	0	0	0	0	110.7	L83 I87 L164 T165 Q197 L198 I401 A405	L83-A189 HydrophobicContact CD2-CB 3.83Å; L83-A189 VanDerWaalsContact CD2-O 3.25Å; L83-A189 WeakPolarHBondContact CD2-O 3.25Å; I87-A189 HydrophobicContact CD1-CB 4.29Å; L164-A189 PolarHBondContact O-N 3.39Å; T165-A189 VanDerWaalsContact CA-O 3.26Å; T165-A189 WeakPolarHBondContact CA-O 3.47Å; A189-Q197 WeakPolarHBondContact CA-O 3.33Å; A189-L198 HydrophobicContact CB-CD1 3.97Å; A189-I401 HydrophobicContact CB-CG2 4.11Å; A189-A405 HydrophobicContact CB-CB 4.15Å
190	D	98.5	Very high	98.4	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	140.6	175.9	-66.6	-56.5	0	0	0	110.6	N166 Q172 G196 Q197 F333 H337	N166-D190 WeakPolarHBondContact CA-OD1 3.26Å; N166-D190 PolarHBondContact N-OD1 3.45Å; Q172-D190 PolarHBondContact NE2-OD2 3.49Å; D190-G196 CarbonylContact O-C 3.59Å; D190-G196 VanDerWaalsContact O-CA 3.27Å; D190-G196 WeakPolarHBondContact O-CA 3.49Å; D190-Q197 HydrophobicContact CB-CG 3.86Å; D190-Q197 PolarHBondContact N-O 2.94Å; D190-Q197 PolarHBondContact O-N 3.2Å; D190-Q197 PolarHBondContact OD2-NE2 2.85Å; D190-F333 HydrophobicContact CB-CE1 4.19Å; D190-H337 IonicContact OD2-CE1 4Å; D190-H337 IonicContact OD2-NE2 2.97Å
191	T	98.7	Very high	98.5	Very high	6 Å²	6	21 Å²	21	4%	0.037	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	138.1	174.2	52.2	0	0	0	0	109.9	L83 F195 I397 N398 I401	L83-T191 HydrophobicContact CD1-CG2 4.08Å; L83-T191 HydrophobicContact CD2-CG2 3.89Å; L83-T191 HydrophobicContact CG-CG2 4.43Å; T191-F195 WeakPolarHBondContact CA-O 3.37Å; T191-I397 HydrophobicContact CG2-CG2 3.57Å; T191-N398 VanDerWaalsContact CB-OD1 3.29Å; T191-N398 WeakPolarHBondContact CB-OD1 3.41Å; T191-N398 WeakPolarHBondContact CG2-OD1 3.39Å; T191-N398 PolarHBondContact OG1-OD1 2.76Å; T191-I401 HydrophobicContact CG2-CB 4.02Å; T191-I401 HydrophobicContact CG2-CG1 3.96Å; T191-I401 HydrophobicContact CG2-CG2 4.33Å
192	R	98.4	Very high	98.5	Very high	25 Å²	25	14.8 Å²	14.8	9%	0.094	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	89.8	-174.2	-61	-64.5	179	-168.2	-1.1	108.8	L194 F195 F333 L336 L386 V389 A390	R192-L194 PolarHBondContact O-N 3.06Å; R192-L194 VanDerWaalsContact O-N 3.14Å; R192-F195 PolarHBondContact N-O 3.29Å; R192-F195 PolarHBondContact O-N 2.86Å; R192-F333 HydrophobicContact CB-CE1 4.47Å; R192-F333 HydrophobicContact CB-CZ 4.46Å; R192-F333 HydrophobicContact CG-CE1 3.78Å; R192-F333 HydrophobicContact CG-CZ 4.25Å; R192-L336 HydrophobicContact CB-CD2 4.37Å; R192-L336 HydrophobicContact CG-CD2 3.62Å; R192-L386 HydrophobicContact CB-CD1 4.3Å; R192-V389 CarbonylContact C-O 3.51Å; R192-A390 WeakPolarHBondContact CD-O 3.43Å
193	G	98.4	Very high	98.5	Very high	1 Å²	1	6.8 Å²	6.8	1%	0.01	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	-116.2	-173.5	0	0	0	0	0	111.6	F195 V389 G392 I397	G193-F195 VanDerWaalsContact C-N 3.32Å; G193-V389 WeakPolarHBondContact CA-O 3.43Å; G193-V389 PolarHBondContact N-O 3.01Å; G193-G392 PolarHBondContact N-O 3.2Å; G193-I397 WeakPolarHBondContact O-CG1 3.29Å
194	L	98.7	Very high	98.4	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	1.7	179.2	-68.8	169.5	0	0	0	114.3	R192 L394 D427 A428 C431 L432 V457 F458 L907	R192-L194 PolarHBondContact O-N 3.06Å; R192-L194 VanDerWaalsContact O-N 3.14Å; L194-L394 HydrophobicContact CD2-CD1 3.5Å; L194-L394 HydrophobicContact CG-CD1 3.94Å; L194-D427 VanDerWaalsContact O-CA 3.32Å; L194-D427 WeakPolarHBondContact O-CA 3.49Å; L194-A428 HydrophobicContact CD2-CB 4.23Å; L194-A428 PolarHBondContact O-N 2.87Å; L194-C431 HydrophobicContact CD1-CB 4.22Å; L194-C431 HydrophobicContact CD2-CB 3.81Å; L194-L432 HydrophobicContact CD1-CD1 4.4Å; L194-L432 HydrophobicContact CD1-CD2 3.64Å; L194-L432 HydrophobicContact CD1-CG 3.64Å; L194-V457 HydrophobicContact CD1-CG1 3.96Å; L194-V457 HydrophobicContact CG-CG1 3.96Å; L194-F458 HydrophobicContact CD1-CE1 4.42Å; L194-F458 HydrophobicContact CD2-CZ 4.02Å; L194-L907 HydrophobicContact CD2-CD2 4.4Å
195	F	98.8	Very high	98.2	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	150.5	179.5	-59.8	-91.8	0	0	0	111.5	T191 R192 G193 L329 F333 L382 K385 L386 V389 F426 D427 L429	T191-F195 WeakPolarHBondContact CA-O 3.37Å; R192-F195 PolarHBondContact N-O 3.29Å; R192-F195 PolarHBondContact O-N 2.86Å; G193-F195 VanDerWaalsContact C-N 3.32Å; F195-L329 HydrophobicContact CD1-CD1 4.28Å; F195-L329 HydrophobicContact CD1-CD2 3.66Å; F195-L329 HydrophobicContact CE1-CD2 3.62Å; F195-F333 HydrophobicContact CB-CE2 4.07Å; F195-F333 HydrophobicContact CB-CZ 3.97Å; F195-L382 HydrophobicContact CE1-CD1 3.84Å; F195-L382 HydrophobicContact CZ-CD1 4.17Å; F195-K385 HydrophobicContact CZ-CB 4.22Å; F195-L386 HydrophobicContact CB-CD1 4Å; F195-L386 HydrophobicContact CD1-CD1 4.41Å; F195-L386 HydrophobicContact CD2-CB 4.4Å; F195-L386 HydrophobicContact CD2-CD1 3.64Å; F195-L386 VanDerWaalsContact CE2-CA 3.45Å; F195-L386 HydrophobicContact CE2-CB 4.04Å; F195-L386 HydrophobicContact CE2-CD1 4.15Å; F195-L386 HydrophobicContact CG-CD1 3.77Å; F195-L386 HydrophobicContact CZ-CB 4.12Å; F195-V389 HydrophobicContact CD2-CG2 3.49Å; F195-V389 VanDerWaalsContact CD2-CG2 3.49Å; F195-V389 HydrophobicContact CE2-CG2 3.52Å; F195-F426 WeakPolarHBondContact CA-O 3.48Å; F195-D427 HydrophobicContact CD1-CB 3.5Å; F195-D427 HydrophobicContact CE1-CB 3.68Å; F195-D427 HydrophobicContact CG-CB 4.37Å; F195-L429 HydrophobicContact CE1-CD1 3.99Å; F195-L429 HydrophobicContact CE1-CD2 4.35Å; F195-L429 HydrophobicContact CE1-CG 4.15Å; F195-L429 HydrophobicContact CE2-CD2 3.75Å; F195-L429 HydrophobicContact CE2-CG 4.42Å; F195-L429 HydrophobicContact CZ-CD1 3.74Å; F195-L429 HydrophobicContact CZ-CD2 3.54Å; F195-L429 HydrophobicContact CZ-CG 3.81Å
196	G	98.5	Very high	98.1	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	149.8	171.7	0	0	0	0	0	112.4	D190 F426	D190-G196 CarbonylContact O-C 3.59Å; D190-G196 VanDerWaalsContact O-CA 3.27Å; D190-G196 WeakPolarHBondContact O-CA 3.49Å; G196-F426 PolarHBondContact N-O 3.35Å; G196-F426 PolarHBondContact O-N 2.74Å
197	Q	98.7	Very high	98	Very high	6 Å²	6	17.9 Å²	17.9	3%	0.028	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	151.1	169.8	67.4	172.4	10.1	0	0	111.1	A189 D190 F333 L424 Y425	A189-Q197 WeakPolarHBondContact CA-O 3.33Å; D190-Q197 HydrophobicContact CB-CG 3.86Å; D190-Q197 PolarHBondContact N-O 2.94Å; D190-Q197 PolarHBondContact O-N 3.2Å; D190-Q197 PolarHBondContact OD2-NE2 2.85Å; Q197-F333 HydrophobicContact CB-CD1 4.41Å; Q197-F333 HydrophobicContact CB-CE1 4.24Å; Q197-F333 HydrophobicContact CB-CZ 4.29Å; Q197-F333 HydrophobicContact CG-CD1 3.76Å; Q197-F333 HydrophobicContact CG-CE1 3.71Å; Q197-F333 HydrophobicContact CG-CG 4.33Å; Q197-F333 HydrophobicContact CG-CZ 4.26Å; Q197-L424 CarbonylContact C-O 3.52Å; Q197-L424 VanDerWaalsContact CA-O 3.27Å; Q197-L424 WeakPolarHBondContact CA-O 3.24Å; Q197-Y425 HydrophobicContact CB-CD1 3.77Å; Q197-Y425 HydrophobicContact CB-CE1 3.55Å; Q197-Y425 HydrophobicContact CG-CE1 4.48Å; Q197-Y425 VanDerWaalsContact OE1-CE1 3.32Å; Q197-Y425 PolarHBondContact OE1-OH 3.5Å
198	L	98.8	Very high	97.9	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	129.3	173.5	175	58	0	0	0	109.4	V187 V188 A189 L404 A405 E408 I420 L424	V187-L198 HydrophobicContact CG1-CD1 3.55Å; V188-L198 CarbonylContact O-C 3.6Å; V188-L198 WeakPolarHBondContact O-CA 3.3Å; A189-L198 HydrophobicContact CB-CD1 3.97Å; L198-L404 HydrophobicContact CD2-CB 3.84Å; L198-A405 HydrophobicContact CD1-CB 3.78Å; L198-A405 HydrophobicContact CD2-CB 4.28Å; L198-E408 HydrophobicContact CD2-CG 4.03Å; L198-I420 HydrophobicContact CD2-CD1 3.41Å; L198-I420 VanDerWaalsContact CD2-CD1 3.41Å; L198-I420 HydrophobicContact CG-CD1 4.03Å; L198-L424 HydrophobicContact CB-CB 4.28Å; L198-L424 HydrophobicContact CB-CD2 4.46Å; L198-L424 PolarHBondContact N-O 3.01Å; L198-L424 PolarHBondContact O-N 3.06Å
199	F	98.8	Very high	97.6	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	139.5	177.7	171.8	-103.7	0	0	0	110.5	L186 V187 V188 D201 L306 Q422 W423	L186-F199 HydrophobicContact CD2-CE1 4.24Å; V187-F199 WeakPolarHBondContact CA-O 3.3Å; V188-F199 HydrophobicContact CB-CB 4.23Å; V188-F199 HydrophobicContact CB-CD1 4.35Å; V188-F199 HydrophobicContact CG2-CD1 4.13Å; V188-F199 PolarHBondContact N-O 3.22Å; V188-F199 PolarHBondContact O-N 3.11Å; F199-D201 HydrophobicContact CE1-CB 3.7Å; F199-D201 HydrophobicContact CZ-CB 3.78Å; F199-L306 HydrophobicContact CD1-CD1 3.89Å; F199-L306 HydrophobicContact CD1-CG 4.14Å; F199-L306 HydrophobicContact CE1-CB 3.7Å; F199-L306 HydrophobicContact CE1-CD1 3.85Å; F199-L306 HydrophobicContact CE1-CG 3.77Å; F199-L306 HydrophobicContact CZ-CB 4.04Å; F199-L306 HydrophobicContact CZ-CG 4.28Å; F199-Q422 WeakPolarHBondContact CA-O 3.28Å; F199-Q422 HydrophobicContact CD2-CB 4.17Å; F199-Q422 HydrophobicContact CE2-CB 3.93Å; F199-W423 HydrophobicContact CB-CD2 4.15Å; F199-W423 HydrophobicContact CB-CE3 3.74Å; F199-W423 HydrophobicContact CB-CH2 3.87Å; F199-W423 HydrophobicContact CB-CZ2 4.26Å; F199-W423 HydrophobicContact CB-CZ3 3.61Å; F199-W423 AromaticContact CD2-CD2 3.67Å; F199-W423 HydrophobicContact CD2-CD2 3.67Å; F199-W423 AromaticContact CD2-CE2 3.33Å; F199-W423 HydrophobicContact CD2-CE3 4.15Å; F199-W423 HydrophobicContact CD2-CG 4.14Å; F199-W423 HydrophobicContact CD2-CH2 4.03Å; F199-W423 AromaticContact CD2-CZ2 3.53Å; F199-W423 HydrophobicContact CD2-CZ2 3.53Å; F199-W423 HydrophobicContact CD2-CZ3 4.32Å; F199-W423 AromaticContact CD2-NE1 3.65Å; F199-W423 AromaticContact CE2-CE2 3.86Å; F199-W423 HydrophobicContact CE2-CZ2 4.01Å; F199-W423 AromaticContact CE2-NE1 3.81Å; F199-W423 HydrophobicContact CG-CD2 4.28Å; F199-W423 HydrophobicContact CG-CE3 4.31Å; F199-W423 AromaticContact CG-CH2 3.93Å; F199-W423 HydrophobicContact CG-CH2 3.93Å; F199-W423 AromaticContact CG-CZ2 3.89Å; F199-W423 HydrophobicContact CG-CZ2 3.89Å; F199-W423 HydrophobicContact CG-CZ3 4.16Å
200	C	98.8	Very high	97.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	132.2	176.5	-68.2	0	0	0	0	111.1	F202 F303 Q422	C200-F202 HydrophobicContact CB-CE1 4.11Å; C200-F202 HydrophobicContact CB-CE2 4.47Å; C200-F202 HydrophobicContact CB-CZ 4.03Å; C200-F303 HydrophobicContact CB-CE1 4.37Å; C200-F303 VanDerWaalsContact O-CD1 3.29Å; C200-F303 WeakPolarHBondContact O-CD1 3.3Å; C200-Q422 PolarHBondContact N-O 2.81Å
201	D	98.7	Very high	97.2	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	102.7	169.4	173.9	8.2	0	0	0	109.2	H180 L186 F199 G203 F303 S305	H180-D201 WeakPolarHBondContact CB-OD2 3.43Å; H180-D201 IonicContact CE1-OD1 2.97Å; H180-D201 IonicContact CE1-OD2 3.99Å; H180-D201 IonicContact CG-OD2 3.6Å; H180-D201 VanDerWaalsContact ND1-CG 3.28Å; H180-D201 IonicContact ND1-OD1 3.44Å; H180-D201 PolarHBondContact ND1-OD1 3.29Å; H180-D201 IonicContact ND1-OD2 2.74Å; H180-D201 PolarHBondContact ND1-OD2 3.01Å; L186-D201 HydrophobicContact CB-CB 4.28Å; L186-D201 PolarHBondContact N-O 3.31Å; L186-D201 PolarHBondContact O-N 3.18Å; F199-D201 HydrophobicContact CE1-CB 3.7Å; F199-D201 HydrophobicContact CZ-CB 3.78Å; D201-G203 PolarHBondContact OD1-N 3.2Å; D201-F303 WeakPolarHBondContact OD1-CB 3.48Å; D201-S305 WeakPolarHBondContact OD2-CA 3.38Å
202	F	98.5	Very high	96.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.138	C	C	.	.			trans	-101.6	22.4	-179.8	-59.2	-20.3	0	0	0	112.8	K185 V187 C200 M206 F303 E408 A412 P419	K185-F202 HydrophobicContact CB-CD1 3.81Å; K185-F202 HydrophobicContact CB-CE1 4.35Å; K185-F202 HydrophobicContact CD-CB 3.92Å; K185-F202 HydrophobicContact CD-CD1 4.47Å; K185-F202 HydrophobicContact CD-CG 4.48Å; K185-F202 WeakPolarHBondContact CD-O 3.38Å; K185-F202 PolarHBondContact NZ-O 3.16Å; V187-F202 HydrophobicContact CG2-CE1 3.76Å; V187-F202 HydrophobicContact CG2-CZ 4.14Å; C200-F202 HydrophobicContact CB-CE1 4.11Å; C200-F202 HydrophobicContact CB-CE2 4.47Å; C200-F202 HydrophobicContact CB-CZ 4.03Å; F202-M206 HydrophobicContact CB-CB 4.49Å; F202-M206 HydrophobicContact CB-CG 4.48Å; F202-M206 HydrophobicContact CB-SD 3.41Å; F202-M206 WeakPolarHBondContact CB-SD 3.46Å; F202-M206 HydrophobicContact CD2-CE 3.8Å; F202-M206 HydrophobicContact CD2-SD 3.37Å; F202-M206 WeakPolarHBondContact CD2-SD 3.48Å; F202-M206 HydrophobicContact CE2-CE 4.41Å; F202-M206 HydrophobicContact CE2-SD 4.44Å; F202-M206 HydrophobicContact CG-CE 4.46Å; F202-M206 HydrophobicContact CG-SD 3.81Å; F202-F303 HydrophobicContact CB-CD2 3.84Å; F202-F303 HydrophobicContact CB-CE2 3.71Å; F202-F303 HydrophobicContact CB-CG 4.35Å; F202-F303 HydrophobicContact CB-CZ 4.11Å; F202-F303 HydrophobicContact CD2-CE1 4.4Å; F202-F303 HydrophobicContact CD2-CE2 4.22Å; F202-F303 AromaticContact CD2-CZ 3.88Å; F202-F303 HydrophobicContact CD2-CZ 3.88Å; F202-F303 HydrophobicContact CG-CE2 4.33Å; F202-F303 HydrophobicContact CG-CZ 4.24Å; F202-E408 HydrophobicContact CZ-CB 4.25Å; F202-E408 WeakPolarHBondContact CZ-O 3.27Å; F202-A412 HydrophobicContact CD1-CB 3.92Å; F202-A412 HydrophobicContact CD2-CB 4.29Å; F202-A412 HydrophobicContact CE1-CB 3.57Å; F202-A412 HydrophobicContact CE2-CB 3.9Å; F202-A412 HydrophobicContact CG-CB 4.29Å; F202-A412 HydrophobicContact CZ-CB 3.55Å; F202-P419 HydrophobicContact CD2-CB 3.87Å; F202-P419 HydrophobicContact CD2-CG 3.78Å; F202-P419 HydrophobicContact CE2-CB 3.63Å; F202-P419 HydrophobicContact CE2-CG 3.82Å
203	G	97.3	Very high	96.7	Very high	5 Å²	5	26.2 Å²	26.2	5%	0.052	14%	0.144	C	C	.	.			trans	81.4	170.5	177.8	0	0	0	0	0	114.2	D201 E205 F303	D201-G203 PolarHBondContact OD1-N 3.2Å; G203-E205 PolarHBondContact O-N 3.2Å; G203-F303 WeakPolarHBondContact O-CB 3.37Å; G203-F303 WeakPolarHBondContact O-CD2 3.42Å; G203-F303 PolarHBondContact O-N 3.02Å
204	E	94.9	Very high	96.5	Very high	147 Å²	147	30.1 Å²	30.1	69%	0.687	16%	0.162	S	C	*	.	S	Bend	trans	-69.3	-16.6	-177.9	62.6	178.4	-176.9	0	0	114.2	S302	E204-S302 WeakPolarHBondContact O-CA 3.49Å; E204-S302 WeakPolarHBondContact O-CB 3.35Å; E204-S302 PolarHBondContact O-OG 3.05Å
205	E	94.6	Very high	96.1	Very high	115 Å²	115	36.8 Å²	36.8	54%	0.537	19%	0.194	S	C	.	.			trans	-134.6	110.3	173.1	-169.7	176.2	96.6	0	0	110.9	G203 I207 K300	G203-E205 PolarHBondContact O-N 3.2Å; E205-I207 HydrophobicContact CG-CD1 4.43Å; E205-K300 HydrophobicContact CG-CD 4.38Å; E205-K300 IonicContact OE1-NZ 3.48Å; E205-K300 IonicContact OE2-NZ 3.81Å; E205-K300 PolarHBondContact OE2-NZ 3.4Å
206	M	95.5	Very high	95.8	Very high	8 Å²	8	40 Å²	40	4%	0.039	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	132.5	168.5	-175.2	178.9	-173.3	0	0	110.7	F202 L208 K300 I301 F303 K411 P419	F202-M206 HydrophobicContact CB-CB 4.49Å; F202-M206 HydrophobicContact CB-CG 4.48Å; F202-M206 HydrophobicContact CB-SD 3.41Å; F202-M206 WeakPolarHBondContact CB-SD 3.46Å; F202-M206 HydrophobicContact CD2-CE 3.8Å; F202-M206 HydrophobicContact CD2-SD 3.37Å; F202-M206 WeakPolarHBondContact CD2-SD 3.48Å; F202-M206 HydrophobicContact CE2-CE 4.41Å; F202-M206 HydrophobicContact CE2-SD 4.44Å; F202-M206 HydrophobicContact CG-CE 4.46Å; F202-M206 HydrophobicContact CG-SD 3.81Å; M206-L208 HydrophobicContact CE-CD2 4.15Å; M206-L208 HydrophobicContact SD-CD2 4.41Å; M206-K300 WeakPolarHBondContact O-CA 3.36Å; M206-I301 HydrophobicContact CB-CG1 4.01Å; M206-I301 PolarHBondContact N-O 2.99Å; M206-I301 PolarHBondContact O-N 2.74Å; M206-I301 HydrophobicContact SD-CD1 4.47Å; M206-F303 HydrophobicContact CB-CE2 4.42Å; M206-F303 HydrophobicContact SD-CE2 4.14Å; M206-K411 VanDerWaalsContact CE-O 3.28Å; M206-K411 WeakPolarHBondContact CE-O 3.08Å; M206-P419 HydrophobicContact CE-CG 4.33Å; M206-P419 HydrophobicContact SD-CG 4.13Å
207	I	96.7	Very high	95.5	Very high	63 Å²	63	43.4 Å²	43.4	32%	0.323	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	117.3	176.1	-48.9	-56.3	0	0	0	109.4	E205 P298 K300	E205-I207 HydrophobicContact CG-CD1 4.43Å; I207-P298 HydrophobicContact CG2-CB 3.84Å; I207-K300 HydrophobicContact CD1-CD 4.04Å; I207-K300 HydrophobicContact CD1-CG 3.62Å
208	L	96	Very high	95.2	Very high	3 Å²	3	46.7 Å²	46.7	2%	0.016	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	121.1	167.3	-64.3	-173.9	0	0	0	109.6	M206 P298 K299 I301 G415 F417 M418 P419	M206-L208 HydrophobicContact CE-CD2 4.15Å; M206-L208 HydrophobicContact SD-CD2 4.41Å; L208-P298 CarbonylContact O-C 3.56Å; L208-P298 WeakPolarHBondContact O-CA 3.32Å; L208-K299 PolarHBondContact N-O 3.37Å; L208-K299 PolarHBondContact O-N 3.17Å; L208-I301 HydrophobicContact CD1-CD1 3.71Å; L208-I301 HydrophobicContact CD1-CG1 4.35Å; L208-I301 HydrophobicContact CD1-CG2 4.32Å; L208-I301 HydrophobicContact CD2-CD1 4.27Å; L208-I301 HydrophobicContact CG-CD1 3.9Å; L208-I301 HydrophobicContact CG-CG1 4.23Å; L208-G415 WeakPolarHBondContact CA-O 3.26Å; L208-F417 WeakPolarHBondContact CD2-O 3.27Å; L208-M418 HydrophobicContact CD1-SD 3.61Å; L208-P419 HydrophobicContact CD2-CG 4.17Å
209	T	94.5	Very high	94.9	Very high	62 Å²	62	47.1 Å²	47.1	38%	0.38	26%	0.259	S	S	.	.	S	Bend	trans	-89.1	-19.8	175.1	55.1	0	0	0	0	112.2	G415	T209-G415 PolarHBondContact N-O 3.23Å; T209-G415 PolarHBondContact OG1-O 3.47Å
210	D	94.5	Very high	94.6	Very high	18 Å²	18	49.4 Å²	49.4	10%	0.096	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-150.1	120.6	176.6	-176.3	-18.7	0	0	0	109.3	N212 G213 K296 K416 F417	D210-N212 PolarHBondContact OD1-N 3.27Å; D210-N212 PolarHBondContact OD1-OD1 3.5Å; D210-G213 PolarHBondContact OD1-N 2.98Å; D210-K296 HydrophobicContact CB-CD 4.08Å; D210-K296 VanDerWaalsContact CG-CD 3.44Å; D210-K296 WeakPolarHBondContact OD1-CD 3.36Å; D210-K296 IonicContact OD1-NZ 3.58Å; D210-K296 PolarHBondContact OD1-NZ 3.39Å; D210-K296 IonicContact OD2-NZ 3.24Å; D210-K296 PolarHBondContact OD2-NZ 2.96Å; D210-K416 HydrophobicContact CB-CD 3.96Å; D210-K416 IonicContact OD2-NZ 2.67Å; D210-K416 PolarHBondContact OD2-NZ 3.07Å; D210-F417 CarbonylContact O-C 3.4Å; D210-F417 WeakPolarHBondContact O-CA 3.27Å; D210-F417 PolarHBondContact O-N 3.37Å
211	S	93.7	Very high	94.4	Very high	59 Å²	59	49.7 Å²	49.7	41%	0.413	27%	0.273	S	S	.	.	S	Bend	trans	-92.2	-13.5	-176.8	52.2	0	0	0	0	115	M418	S211-M418 VanDerWaalsContact O-CB 3.25Å; S211-M418 WeakPolarHBondContact O-CB 3.25Å; S211-M418 PolarHBondContact O-N 3.4Å
212	N	93	Very high	94.1	Very high	42 Å²	42	52.3 Å²	52.3	23%	0.225	29%	0.291	C	S	.	.	S	Bend	trans	-135.5	-14.4	-169.3	64.9	26.2	0	0	0	115.1	D210 E214 K296 A930 L931	D210-N212 PolarHBondContact OD1-N 3.27Å; D210-N212 PolarHBondContact OD1-OD1 3.5Å; N212-E214 PolarHBondContact O-N 2.76Å; N212-E214 PolarHBondContact OD1-N 2.97Å; N212-E214 VanDerWaalsContact OD1-N 3.16Å; N212-K296 WeakPolarHBondContact OD1-CE 3.43Å; N212-K296 PolarHBondContact OD1-NZ 2.66Å; N212-A930 VanDerWaalsContact O-CB 3.32Å; N212-A930 WeakPolarHBondContact O-CB 3.29Å; N212-L931 HydrophobicContact CB-CD2 3.88Å
213	G	93	Very high	93.9	Very high	22 Å²	22	57.3 Å²	57.3	23%	0.227	32%	0.315	C	S	.	.			trans	78.6	-10.5	175.8	0	0	0	0	0	117.2	D210	D210-G213 PolarHBondContact OD1-N 2.98Å
214	E	93.7	Very high	93.9	Very high	82 Å²	82	57.4 Å²	57.4	38%	0.383	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-69.8	156.4	-179.2	-61.3	-57.5	144.2	0	0	111.8	N212 K296 K604	N212-E214 PolarHBondContact O-N 2.76Å; N212-E214 PolarHBondContact OD1-N 2.97Å; N212-E214 VanDerWaalsContact OD1-N 3.16Å; E214-K296 VanDerWaalsContact O-CE 3.25Å; E214-K296 WeakPolarHBondContact O-CE 3.3Å; E214-K296 PolarHBondContact O-NZ 2.87Å; E214-K604 VanDerWaalsContact CD-NZ 3.26Å; E214-K604 WeakPolarHBondContact OE1-CE 3.42Å; E214-K604 IonicContact OE1-NZ 3.79Å; E214-K604 PolarHBondContact OE1-NZ 3.35Å; E214-K604 IonicContact OE2-NZ 2.85Å; E214-K604 PolarHBondContact OE2-NZ 3.32Å
215	Q	90.6	Very high	93.9	Very high	141 Å²	141	52.5 Å²	52.5	66%	0.659	30%	0.295	S	S	*	.	P	Polyproline II helix	trans	-68.3	139.7	170.9	-68.3	-65.1	-26.6	0	0	109.6	L217	Q215-L217 PolarHBondContact O-N 2.86Å
216	P	92.3	Very high	94	Very high	67 Å²	67	51.7 Å²	51.7	44%	0.435	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-55.3	127.9	175.4	-23	32.4	0	0	0	111.3	Q294	P216-Q294 HydrophobicContact CB-CB 4.2Å; P216-Q294 WeakPolarHBondContact CB-O 3.19Å
217	L	93.1	Very high	94	Very high	72 Å²	72	55.7 Å²	55.7	38%	0.377	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-71.1	154.2	180	-63.3	179	0	0	0	111.1	Q215 G241 F242 Q294	Q215-L217 PolarHBondContact O-N 2.86Å; L217-G241 VanDerWaalsContact CD1-C 3.45Å; L217-G241 WeakPolarHBondContact CD1-O 3.41Å; L217-F242 HydrophobicContact CB-CD1 3.88Å; L217-F242 HydrophobicContact CB-CE1 3.57Å; L217-F242 HydrophobicContact CD1-CD1 4.16Å; L217-Q294 HydrophobicContact CB-CB 4.47Å; L217-Q294 WeakPolarHBondContact O-CB 3.34Å; L217-Q294 PolarHBondContact O-N 3.27Å
218	S	92.1	Very high	93.9	Very high	74 Å²	74	57.7 Å²	57.7	52%	0.517	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	146.8	174.7	-176.5	0	0	0	0	110.8	I291 V292	S218-I291 VanDerWaalsContact OG-CG2 3.32Å; S218-I291 WeakPolarHBondContact OG-CG2 3.45Å; S218-V292 VanDerWaalsContact CA-O 3.22Å; S218-V292 WeakPolarHBondContact CA-O 3.3Å; S218-V292 WeakPolarHBondContact CB-O 3.48Å; S218-V292 PolarHBondContact OG-O 2.92Å
219	A	93.1	Very high	93.8	Very high	10 Å²	10	60.5 Å²	60.5	8%	0.083	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	153.9	176.7	0	0	0	0	0	111.3	H240 V292	A219-H240 HydrophobicContact CB-CB 4.2Å; A219-V292 HydrophobicContact CB-CG1 3.72Å; A219-V292 PolarHBondContact N-O 2.83Å; A219-V292 VanDerWaalsContact O-CG1 3.25Å; A219-V292 WeakPolarHBondContact O-CG1 3.38Å; A219-V292 PolarHBondContact O-N 2.79Å
220	M	92.5	Very high	93.9	Very high	47 Å²	47	57.6 Å²	57.6	23%	0.232	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	139	173.7	-71.8	175.6	-76.3	0	0	110.5	C234 L235 P745	M220-C234 WeakPolarHBondContact O-CA 3.43Å; M220-L235 HydrophobicContact CB-CB 4.27Å; M220-L235 HydrophobicContact CE-CD2 4.15Å; M220-L235 PolarHBondContact O-N 3.47Å; M220-P745 HydrophobicContact CE-CB 4.08Å; M220-P745 HydrophobicContact SD-CB 4.4Å
221	V	94	Very high	94	Very high	7 Å²	7	58.4 Å²	58.4	4%	0.042	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	129.3	-178.7	178.5	0	0	0	0	110.1	V224 V232 F250 Y286 G290 V292	V221-V224 HydrophobicContact CG1-CG2 3.6Å; V221-V232 HydrophobicContact CG1-CG1 4.15Å; V221-V232 HydrophobicContact CG2-CG1 4.16Å; V221-F250 HydrophobicContact CG2-CD1 4.19Å; V221-F250 HydrophobicContact CG2-CE1 4.05Å; V221-Y286 HydrophobicContact CG1-CE2 4.11Å; V221-Y286 PolarHBondContact O-OH 3.49Å; V221-G290 PolarHBondContact N-O 3.43Å; V221-V292 HydrophobicContact CG2-CB 4.4Å; V221-V292 HydrophobicContact CG2-CG1 4.47Å
222	S	92.6	Very high	94.2	Very high	55 Å²	55	55.6 Å²	55.6	39%	0.385	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	-37.5	172.2	-173.2	0	0	0	0	112.6	T233 Y286	S222-T233 WeakPolarHBondContact CB-O 3.37Å; S222-T233 PolarHBondContact N-O 2.93Å; S222-Y286 WeakPolarHBondContact O-CE1 3.47Å; S222-Y286 PolarHBondContact O-OH 3.21Å; S222-Y286 VanDerWaalsContact O-OH 3.11Å
223	M	94	Very high	94.4	Very high	105 Å²	105	55.6 Å²	55.6	52%	0.517	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	146.8	180	-177.9	172.8	-90.9	0	0	110.5	T233	M223-T233 PolarHBondContact N-O 3.14Å; M223-T233 PolarHBondContact O-N 2.86Å
224	V	96.7	Very high	94.5	Very high	7 Å²	7	54.6 Å²	54.6	4%	0.042	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	124.8	166.9	-172.4	0	0	0	0	108.1	V221 V231 V232 M256 L259 I277 Y286	V221-V224 HydrophobicContact CG1-CG2 3.6Å; V224-V231 CarbonylContact C-O 3.32Å; V224-V231 WeakPolarHBondContact CA-O 3.31Å; V224-V232 HydrophobicContact CG1-CG2 4.23Å; V224-V232 HydrophobicContact CG2-CG2 4.32Å; V224-M256 HydrophobicContact CB-CE 4.41Å; V224-M256 HydrophobicContact CB-SD 4.37Å; V224-M256 HydrophobicContact CG1-CE 4.16Å; V224-M256 HydrophobicContact CG1-SD 3.88Å; V224-L259 HydrophobicContact CG1-CD2 4.36Å; V224-L259 HydrophobicContact CG2-CD2 4.32Å; V224-I277 HydrophobicContact CG1-CD1 4.38Å; V224-Y286 HydrophobicContact CB-CD2 4.12Å; V224-Y286 HydrophobicContact CB-CG 4.4Å; V224-Y286 HydrophobicContact CG2-CD2 3.96Å; V224-Y286 HydrophobicContact CG2-CE2 4.23Å
225	T	96.7	Very high	94.2	Very high	44 Å²	44	52.6 Å²	52.6	27%	0.27	29%	0.292	S	S	.	.			trans	-78.8	153.6	175.7	68.8	0	0	0	0	111	V231 T280	T225-V231 HydrophobicContact CG2-CB 4.01Å; T225-V231 PolarHBondContact N-O 2.85Å; T225-V231 WeakPolarHBondContact OG1-CB 3.49Å; T225-V231 PolarHBondContact OG1-N 3.46Å; T225-T280 PolarHBondContact O-OG1 3.43Å
226	K	96.1	Very high	93.5	Very high	97 Å²	97	52.5 Å²	52.5	42%	0.422	30%	0.296	S	S	.	.			trans	-100	82.2	172.3	-174.7	170.3	177	163.8	0	108.9	T280 S281 F283 D285	K226-T280 WeakPolarHBondContact CG-O 3.06Å; K226-S281 WeakPolarHBondContact CE-O 3.26Å; K226-F283 WeakPolarHBondContact CE-O 3.42Å; K226-F283 PolarHBondContact NZ-O 2.77Å; K226-D285 WeakPolarHBondContact CD-OD1 3.29Å; K226-D285 IonicContact NZ-OD1 2.84Å; K226-D285 PolarHBondContact NZ-OD1 3.36Å
227	D	94.7	Very high	92.8	Very high	92 Å²	92	57.5 Å²	57.5	49%	0.492	31%	0.314	S	S	.	.	S	Bend	trans	-146.1	176	-170.2	-154.1	-11.2	0	0	0	111.2	P229 G230 T280	D227-P229 CarbonylContact O-C 3.07Å; D227-G230 PolarHBondContact O-N 2.87Å; D227-G230 VanDerWaalsContact O-N 3.16Å; D227-T280 PolarHBondContact N-OG1 3.31Å; D227-T280 PolarHBondContact O-N 3.42Å; D227-T280 PolarHBondContact O-OG1 2.74Å
228	N	94.5	Very high	92.3	Very high	105 Å²	105	55.8 Å²	55.8	56%	0.561	31%	0.31	S	S	*	.	S	Bend	trans	-127.2	100.5	172.8	-172.7	-4.2	0	0	0	110.9
229	P	94.7	Very high	92.2	Very high	63 Å²	63	61 Å²	61	41%	0.409	32%	0.318	S	S	.	.	S	Bend	cis	-79.9	153.3	2.2	33.9	-36.3	0	0	0	112.9	D227 I277	D227-P229 CarbonylContact O-C 3.07Å; P229-I277 WeakPolarHBondContact CB-O 3.48Å
230	G	96.2	Very high	92.3	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.316	C	S	.	.			trans	-65.5	138.8	174	0	0	0	0	0	111.4	D227 S276 I277 C278 T280	D227-G230 PolarHBondContact O-N 2.87Å; D227-G230 VanDerWaalsContact O-N 3.16Å; G230-S276 CarbonylContact O-C 3.55Å; G230-S276 WeakPolarHBondContact O-CA 3.35Å; G230-S276 WeakPolarHBondContact O-CB 3.36Å; G230-I277 WeakPolarHBondContact O-CG1 2.99Å; G230-I277 PolarHBondContact O-N 2.85Å; G230-C278 PolarHBondContact N-O 3.25Å; G230-C278 VanDerWaalsContact N-O 3.08Å; G230-T280 VanDerWaalsContact CA-OG1 3.24Å; G230-T280 WeakPolarHBondContact CA-OG1 3.43Å
231	V	97.6	Very high	92.3	Very high	35 Å²	35	61.2 Å²	61.2	21%	0.212	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	122.6	-177.3	179.7	0	0	0	0	109.9	V224 T225 L270	V224-V231 CarbonylContact C-O 3.32Å; V224-V231 WeakPolarHBondContact CA-O 3.31Å; T225-V231 HydrophobicContact CG2-CB 4.01Å; T225-V231 PolarHBondContact N-O 2.85Å; T225-V231 WeakPolarHBondContact OG1-CB 3.49Å; T225-V231 PolarHBondContact OG1-N 3.46Å; V231-L270 HydrophobicContact CG1-CD1 3.95Å; V231-L270 HydrophobicContact CG2-CD1 4.06Å
232	V	97.2	Very high	92.3	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	131.2	175.9	-176.9	0	0	0	0	109	V221 V224 F250 T274 F275 I277	V221-V232 HydrophobicContact CG1-CG1 4.15Å; V221-V232 HydrophobicContact CG2-CG1 4.16Å; V224-V232 HydrophobicContact CG1-CG2 4.23Å; V224-V232 HydrophobicContact CG2-CG2 4.32Å; V232-F250 HydrophobicContact CG1-CE1 4.26Å; V232-F250 HydrophobicContact CG2-CE1 4.18Å; V232-F250 HydrophobicContact CG2-CZ 3.9Å; V232-T274 VanDerWaalsContact O-CA 3.26Å; V232-T274 WeakPolarHBondContact O-CA 3.34Å; V232-F275 HydrophobicContact CB-CD1 4.42Å; V232-F275 HydrophobicContact CB-CD2 4.21Å; V232-F275 HydrophobicContact CB-CE1 3.98Å; V232-F275 HydrophobicContact CB-CE2 3.76Å; V232-F275 HydrophobicContact CB-CZ 3.62Å; V232-F275 HydrophobicContact CG1-CE1 3.84Å; V232-F275 HydrophobicContact CG1-CE2 4.17Å; V232-F275 HydrophobicContact CG1-CZ 3.53Å; V232-F275 HydrophobicContact CG2-CD2 4.44Å; V232-F275 HydrophobicContact CG2-CE2 3.84Å; V232-F275 HydrophobicContact CG2-CZ 4.07Å; V232-F275 PolarHBondContact N-O 2.85Å; V232-F275 PolarHBondContact O-N 3.45Å; V232-I277 HydrophobicContact CG2-CD1 3.97Å; V232-I277 HydrophobicContact CG2-CG1 4.17Å; V232-I277 HydrophobicContact CG2-CG2 3.93Å
233	T	96.6	Very high	92.4	Very high	43 Å²	43	65.7 Å²	65.7	26%	0.264	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	122.9	172.8	-53.8	0	0	0	0	109	S222 M223 T274	S222-T233 WeakPolarHBondContact CB-O 3.37Å; S222-T233 PolarHBondContact N-O 2.93Å; M223-T233 PolarHBondContact N-O 3.14Å; M223-T233 PolarHBondContact O-N 2.86Å; T233-T274 HydrophobicContact CG2-CG2 4.04Å
234	C	94.4	Very high	92.4	Very high	1 Å²	1	64.4 Å²	64.4	1%	0.007	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	161.2	174.6	-65.6	0	0	0	0	111.2	M220 Y273	M220-C234 WeakPolarHBondContact O-CA 3.43Å; C234-Y273 PolarHBondContact N-O 3.17Å
235	L	88.1	Confident	92.2	Very high	40 Å²	40	65.8 Å²	65.8	21%	0.209	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-61.2	144.1	175.7	-160.7	78.4	0	0	0	111.8	M220 A238 P745	M220-L235 HydrophobicContact CB-CB 4.27Å; M220-L235 HydrophobicContact CE-CD2 4.15Å; M220-L235 PolarHBondContact O-N 3.47Å; L235-A238 PolarHBondContact O-N 3.26Å; L235-P745 HydrophobicContact CD2-CG 4.2Å
236	D	76.1	Confident	92.1	Very high	138 Å²	138	65.1 Å²	65.1	74%	0.738	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	145.1	178.4	-75.1	-30.1	0	0	0	112.4	A238	D236-A238 PolarHBondContact O-N 3.4Å; D236-A238 VanDerWaalsContact O-N 3.1Å
237	E	77.2	Confident	92.1	Very high	173 Å²	173	63.3 Å²	63.3	81%	0.808	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.8	-3.2	-176.6	-58.1	-62.5	148.5	0	0	116.2
238	A	82.8	Confident	92.2	Very high	36 Å²	36	58.9 Å²	58.9	30%	0.298	33%	0.326	S	S	.	.			trans	-110.3	96	176.7	0	0	0	0	0	111.5	L235 D236	L235-A238 PolarHBondContact O-N 3.26Å; D236-A238 PolarHBondContact O-N 3.4Å; D236-A238 VanDerWaalsContact O-N 3.1Å
239	R	91.2	Very high	92.3	Very high	183 Å²	183	55.2 Å²	55.2	69%	0.691	31%	0.308	S	S	*	.			trans	-64.3	138.9	173.2	-61.4	-176.6	-177.3	-152.8	1.8	110.4	P272 Y273	R239-P272 WeakPolarHBondContact CA-O 3.33Å; R239-P272 HydrophobicContact CG-CB 4.4Å; R239-Y273 HydrophobicContact CG-CD1 4.48Å; R239-Y273 HydrophobicContact CG-CE1 3.77Å
240	H	93.3	Very high	92.3	Very high	8 Å²	8	52.4 Å²	52.4	4%	0.037	29%	0.29	C	S	.	.			trans	-74.4	-29.7	179.4	56.6	74.2	0	0	0	113.9	A219 F242 G271 P272	A219-H240 HydrophobicContact CB-CB 4.2Å; H240-F242 HydrophobicContact CB-CD2 3.61Å; H240-F242 HydrophobicContact CB-CE2 3.7Å; H240-F242 HydrophobicContact CB-CG 4.21Å; H240-F242 HydrophobicContact CB-CZ 4.37Å; H240-F242 AromaticContact CG-CD2 3.78Å; H240-F242 AromaticContact ND1-CD2 3.67Å; H240-F242 AromaticContact ND1-CG 3.83Å; H240-F242 PolarHBondContact ND1-N 3.45Å; H240-F242 VanDerWaalsContact ND1-N 3.11Å; H240-F242 PolarHBondContact O-N 3.25Å; H240-G271 PolarHBondContact NE2-O 2.83Å; H240-P272 PolarHBondContact CD2-O 3.02Å; H240-P272 VanDerWaalsContact CD2-O 3.23Å; H240-P272 PolarHBondContact N-O 2.91Å; H240-P272 PolarHBondContact NE2-O 3.32Å
241	G	93.4	Very high	92.2	Very high	53 Å²	53	54.6 Å²	54.6	55%	0.546	31%	0.305	S	S	.	.			trans	70.5	-6.4	178.9	0	0	0	0	0	116.3	L217	L217-G241 VanDerWaalsContact CD1-C 3.45Å; L217-G241 WeakPolarHBondContact CD1-O 3.41Å
242	F	95	Very high	91.9	Very high	10 Å²	10	56.6 Å²	56.6	4%	0.044	31%	0.312	C	S	.	.			trans	-61.1	159.2	173.2	-45	-47.2	0	0	0	114.4	L217 H240 V248 I267 V269 F275 V292 Q294	L217-F242 HydrophobicContact CB-CD1 3.88Å; L217-F242 HydrophobicContact CB-CE1 3.57Å; L217-F242 HydrophobicContact CD1-CD1 4.16Å; H240-F242 HydrophobicContact CB-CD2 3.61Å; H240-F242 HydrophobicContact CB-CE2 3.7Å; H240-F242 HydrophobicContact CB-CG 4.21Å; H240-F242 HydrophobicContact CB-CZ 4.37Å; H240-F242 AromaticContact CG-CD2 3.78Å; H240-F242 AromaticContact ND1-CD2 3.67Å; H240-F242 AromaticContact ND1-CG 3.83Å; H240-F242 PolarHBondContact ND1-N 3.45Å; H240-F242 VanDerWaalsContact ND1-N 3.11Å; H240-F242 PolarHBondContact O-N 3.25Å; F242-V248 HydrophobicContact CD2-CG1 4.45Å; F242-V248 HydrophobicContact CE2-CG1 4.23Å; F242-V248 HydrophobicContact CZ-CG1 4.31Å; F242-I267 HydrophobicContact CB-CD1 3.42Å; F242-I267 VanDerWaalsContact CB-CD1 3.42Å; F242-I267 HydrophobicContact CD2-CD1 3.8Å; F242-I267 HydrophobicContact CG-CD1 3.86Å; F242-V269 WeakPolarHBondContact O-CG2 3.48Å; F242-F275 HydrophobicContact CD2-CD1 4.11Å; F242-F275 AromaticContact CD2-CE1 4Å; F242-F275 HydrophobicContact CD2-CE1 4Å; F242-F275 HydrophobicContact CD2-CZ 4.42Å; F242-F275 HydrophobicContact CE2-CD1 4.36Å; F242-F275 AromaticContact CE2-CE1 3.78Å; F242-F275 HydrophobicContact CE2-CE1 3.78Å; F242-F275 HydrophobicContact CE2-CZ 4.02Å; F242-V292 HydrophobicContact CE2-CG1 3.84Å; F242-V292 HydrophobicContact CE2-CG2 3.99Å; F242-V292 HydrophobicContact CZ-CG1 3.83Å; F242-V292 HydrophobicContact CZ-CG2 3.99Å; F242-Q294 HydrophobicContact CD1-CB 4.33Å; F242-Q294 HydrophobicContact CE1-CB 3.96Å
243	E	93.5	Very high	91.8	Very high	146 Å²	146	56.7 Å²	56.7	68%	0.682	31%	0.312	S	S	*	.			trans	-112	160.7	173.7	-62.5	-173	167.7	0	0	111.7	G245 D246	E243-G245 PolarHBondContact O-N 2.87Å; E243-D246 PolarHBondContact N-OD2 2.9Å; E243-D246 WeakPolarHBondContact O-CB 3.47Å; E243-D246 PolarHBondContact O-N 3.17Å
244	S	94.6	Very high	91.5	Very high	79 Å²	79	60 Å²	60	55%	0.552	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	132.5	175.7	-64.2	0	0	0	0	110.3	V269	S244-V269 PolarHBondContact OG-N 3.49Å
245	G	91.7	Very high	91.4	Very high	35 Å²	35	60.9 Å²	60.9	36%	0.361	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.3	-4.7	-172.5	0	0	0	0	0	114.2	E243 F247 I267	E243-G245 PolarHBondContact O-N 2.87Å; G245-F247 WeakPolarHBondContact O-CE2 3.37Å; G245-I267 PolarHBondContact N-O 3.49Å
246	D	94.3	Very high	91.8	Very high	31 Å²	31	59 Å²	59	17%	0.166	32%	0.324	C	S	.	.			trans	-63.7	158.7	166.3	-84.6	-35.3	0	0	0	111.5	E243 E266 I267 Q294	E243-D246 PolarHBondContact N-OD2 2.9Å; E243-D246 WeakPolarHBondContact O-CB 3.47Å; E243-D246 PolarHBondContact O-N 3.17Å; D246-E266 CarbonylContact O-C 3.48Å; D246-E266 WeakPolarHBondContact O-CA 3.45Å; D246-I267 HydrophobicContact CB-CD1 3.91Å; D246-I267 HydrophobicContact CB-CG1 3.93Å; D246-I267 PolarHBondContact O-N 3.37Å; D246-Q294 PolarHBondContact OD1-NE2 2.94Å; D246-Q294 PolarHBondContact OD2-NE2 3.02Å
247	F	96.3	Very high	92.6	Very high	58 Å²	58	57.1 Å²	57.1	25%	0.254	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	140.8	173	-70	-103.4	0	0	0	110.3	G245 P264 M265 E266 Q294 V295 V297	G245-F247 WeakPolarHBondContact O-CE2 3.37Å; F247-P264 HydrophobicContact CB-CB 3.86Å; F247-P264 HydrophobicContact CD1-CB 4.2Å; F247-P264 HydrophobicContact CG-CB 4.45Å; F247-M265 CarbonylContact C-O 3.51Å; F247-M265 VanDerWaalsContact CA-O 3.27Å; F247-M265 WeakPolarHBondContact CA-O 3.23Å; F247-E266 HydrophobicContact CD1-CB 4.25Å; F247-E266 HydrophobicContact CE1-CB 3.81Å; F247-E266 HydrophobicContact CE2-CG 4.45Å; F247-E266 HydrophobicContact CZ-CB 3.94Å; F247-E266 HydrophobicContact CZ-CG 4.23Å; F247-Q294 CarbonylContact O-C 3.39Å; F247-Q294 WeakPolarHBondContact O-CA 3.36Å; F247-V295 PolarHBondContact O-N 3Å; F247-V297 HydrophobicContact CB-CG1 3.91Å; F247-V297 HydrophobicContact CD1-CG1 4.06Å; F247-V297 HydrophobicContact CD2-CB 4.43Å; F247-V297 HydrophobicContact CD2-CG1 4.07Å; F247-V297 HydrophobicContact CD2-CG2 3.46Å; F247-V297 VanDerWaalsContact CD2-CG2 3.46Å; F247-V297 HydrophobicContact CE2-CG2 3.62Å; F247-V297 HydrophobicContact CG-CG1 3.74Å; F247-V297 HydrophobicContact CG-CG2 4.04Å; F247-V297 HydrophobicContact CZ-CG2 4.29Å
248	V	96.7	Very high	93.4	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	157.1	-179.6	-57.3	0	0	0	0	112.5	F242 F250 P264 M265 I267 F275 V292 S293	F242-V248 HydrophobicContact CD2-CG1 4.45Å; F242-V248 HydrophobicContact CE2-CG1 4.23Å; F242-V248 HydrophobicContact CZ-CG1 4.31Å; V248-F250 HydrophobicContact CG2-CE2 3.74Å; V248-F250 HydrophobicContact CG2-CZ 4.09Å; V248-P264 WeakPolarHBondContact O-CA 3.15Å; V248-M265 HydrophobicContact CG2-CG 4.08Å; V248-M265 PolarHBondContact N-O 3.28Å; V248-M265 PolarHBondContact O-N 2.71Å; V248-I267 HydrophobicContact CB-CG2 4.18Å; V248-I267 HydrophobicContact CG1-CD1 4.26Å; V248-I267 HydrophobicContact CG1-CG2 3.74Å; V248-I267 HydrophobicContact CG2-CG2 3.43Å; V248-I267 VanDerWaalsContact CG2-CG2 3.43Å; V248-F275 HydrophobicContact CG2-CE2 4.37Å; V248-V292 HydrophobicContact CB-CG2 3.56Å; V248-V292 HydrophobicContact CG1-CG2 3.84Å; V248-V292 HydrophobicContact CG2-CG2 3.88Å; V248-S293 CarbonylContact C-O 3.59Å; V248-S293 VanDerWaalsContact CA-O 3.29Å; V248-S293 WeakPolarHBondContact CA-O 3.45Å
249	S	96.5	Very high	94	Very high	28 Å²	28	50.5 Å²	50.5	20%	0.196	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	158.8	167.5	65.2	0	0	0	0	110.3	V292 S293	S249-V292 WeakPolarHBondContact O-CA 3.48Å; S249-S293 PolarHBondContact N-O 3.14Å; S249-S293 PolarHBondContact O-N 2.76Å
250	F	96.2	Very high	94.1	Very high	4 Å²	4	44.2 Å²	44.2	2%	0.018	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	147.7	-178.2	-65.8	-95.7	0	0	0	111.9	V221 V232 V248 V253 L259 N260 G261 M265 F275 I277 I291 V292	V221-F250 HydrophobicContact CG2-CD1 4.19Å; V221-F250 HydrophobicContact CG2-CE1 4.05Å; V232-F250 HydrophobicContact CG1-CE1 4.26Å; V232-F250 HydrophobicContact CG2-CE1 4.18Å; V232-F250 HydrophobicContact CG2-CZ 3.9Å; V248-F250 HydrophobicContact CG2-CE2 3.74Å; V248-F250 HydrophobicContact CG2-CZ 4.09Å; F250-V253 HydrophobicContact CB-CG2 3.98Å; F250-V253 HydrophobicContact CD1-CG2 4.07Å; F250-V253 HydrophobicContact CG-CG2 4.42Å; F250-L259 HydrophobicContact CB-CD2 4.3Å; F250-L259 HydrophobicContact CB-CG 3.88Å; F250-L259 HydrophobicContact CD1-CD2 3.91Å; F250-L259 HydrophobicContact CD1-CG 4.31Å; F250-L259 HydrophobicContact CD2-CD1 3.67Å; F250-L259 HydrophobicContact CD2-CD2 3.97Å; F250-L259 HydrophobicContact CD2-CG 3.59Å; F250-L259 HydrophobicContact CE1-CD2 4.21Å; F250-L259 HydrophobicContact CE2-CD1 3.95Å; F250-L259 HydrophobicContact CE2-CD2 4.27Å; F250-L259 HydrophobicContact CE2-CG 4.2Å; F250-L259 HydrophobicContact CG-CD1 4.28Å; F250-L259 HydrophobicContact CG-CD2 3.79Å; F250-L259 HydrophobicContact CG-CG 3.66Å; F250-L259 HydrophobicContact CZ-CD2 4.4Å; F250-N260 WeakPolarHBondContact O-CA 3.15Å; F250-G261 PolarHBondContact O-N 3.48Å; F250-M265 HydrophobicContact CD2-CE 4.28Å; F250-M265 HydrophobicContact CD2-SD 4.39Å; F250-M265 HydrophobicContact CE2-CE 4.38Å; F250-M265 HydrophobicContact CE2-SD 3.9Å; F250-F275 HydrophobicContact CZ-CE2 4.16Å; F250-F275 HydrophobicContact CZ-CZ 4.29Å; F250-I277 HydrophobicContact CE2-CD1 4.35Å; F250-I277 HydrophobicContact CE2-CG2 4.16Å; F250-I277 HydrophobicContact CZ-CD1 4.41Å; F250-I277 HydrophobicContact CZ-CG2 4.04Å; F250-I291 WeakPolarHBondContact CA-O 3.38Å; F250-V292 HydrophobicContact CD1-CB 4.05Å; F250-V292 HydrophobicContact CD1-CG2 4.4Å; F250-V292 HydrophobicContact CE1-CB 3.76Å; F250-V292 HydrophobicContact CE1-CG2 3.93Å; F250-V292 HydrophobicContact CZ-CB 4.33Å; F250-V292 HydrophobicContact CZ-CG2 3.99Å
251	S	93.9	Very high	93.8	Very high	46 Å²	46	47.4 Å²	47.4	32%	0.322	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	159.4	169.4	56	0	0	0	0	110.1	V253 N260 G290 I291	S251-V253 PolarHBondContact O-N 3.49Å; S251-N260 WeakPolarHBondContact CA-OD1 3.13Å; S251-G290 CarbonylContact O-C 3.53Å; S251-G290 WeakPolarHBondContact O-CA 3.33Å; S251-I291 PolarHBondContact N-O 3.5Å; S251-I291 PolarHBondContact O-N 3.17Å
252	E	91.9	Very high	93.4	Very high	77 Å²	77	48.1 Å²	48.1	36%	0.36	29%	0.287	S	S	.	.	S	Bend	trans	60.4	13.8	174	-52.2	-177	-169.3	0	0	116.2	Q254 N260 G290 R747	E252-Q254 PolarHBondContact O-N 3.2Å; E252-N260 PolarHBondContact N-OD1 3Å; E252-G290 PolarHBondContact O-N 3.34Å; E252-R747 VanDerWaalsContact CD-NH2 3.29Å; E252-R747 IonicContact OE1-CZ 2.69Å; E252-R747 IonicContact OE1-NH1 3.87Å; E252-R747 IonicContact OE1-NH2 3.7Å; E252-R747 PolarHBondContact OE1-NH2 3.12Å; E252-R747 IonicContact OE2-CZ 2.91Å; E252-R747 IonicContact OE2-NH1 3.94Å; E252-R747 PolarHBondContact OE2-NH1 3.09Å; E252-R747 IonicContact OE2-NH2 3.88Å; E252-R747 PolarHBondContact OE2-NH2 2.82Å; E252-R747 VanDerWaalsContact OE2-NH2 3.08Å
253	V	93.7	Very high	93.2	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.006	32%	0.32	C	S	.	.			trans	-74.6	108.7	175.8	-177	0	0	0	0	108.8	F250 S251 M256 L259 N260 Y286	F250-V253 HydrophobicContact CB-CG2 3.98Å; F250-V253 HydrophobicContact CD1-CG2 4.07Å; F250-V253 HydrophobicContact CG-CG2 4.42Å; S251-V253 PolarHBondContact O-N 3.49Å; V253-M256 HydrophobicContact CG1-CB 4Å; V253-L259 HydrophobicContact CG1-CD2 4.38Å; V253-L259 HydrophobicContact CG2-CD2 4.25Å; V253-N260 VanDerWaalsContact CB-OD1 3.3Å; V253-N260 WeakPolarHBondContact CB-OD1 3.42Å; V253-N260 WeakPolarHBondContact CG2-OD1 3.46Å; V253-N260 PolarHBondContact N-ND2 3.07Å; V253-N260 PolarHBondContact N-OD1 2.57Å; V253-N260 PolarHBondContact O-ND2 2.87Å; V253-Y286 HydrophobicContact CG1-CD2 3.81Å; V253-Y286 HydrophobicContact CG1-CE2 4.01Å
254	Q	91.5	Very high	93.2	Very high	112 Å²	112	50.9 Å²	50.9	52%	0.523	31%	0.305	S	S	.	.	B	Isolated β-bridge	trans	-85.4	136.2	179.2	-57.7	-176	-1.3	0	0	110.3	E252 I287 R288	E252-Q254 PolarHBondContact O-N 3.2Å; Q254-I287 HydrophobicContact CB-CB 4.49Å; Q254-I287 WeakPolarHBondContact O-CB 3.46Å; Q254-I287 PolarHBondContact O-N 3.39Å; Q254-R288 HydrophobicContact CB-CG 4.25Å; Q254-R288 WeakPolarHBondContact CB-O 3.46Å; Q254-R288 PolarHBondContact N-O 2.84Å; Q254-R288 PolarHBondContact O-N 3.43Å
255	G	92.5	Very high	93.2	Very high	20 Å²	20	48 Å²	48	21%	0.206	28%	0.283	C	S	.	.	S	Bend	trans	96.6	-32.6	-179.2	0	0	0	0	0	114.6	S284 D285	G255-S284 WeakPolarHBondContact O-CB 3.48Å; G255-D285 CarbonylContact C-O 3.56Å; G255-D285 WeakPolarHBondContact CA-O 3.22Å; G255-D285 VanDerWaalsContact O-O 3.1Å
256	M	95.6	Very high	93.3	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.292	C	S	.	.			trans	-116.5	66.8	-178.9	-164.6	178.4	-77.3	0	0	110.4	V224 V253 E258 L259 F283 S284	V224-M256 HydrophobicContact CB-CE 4.41Å; V224-M256 HydrophobicContact CB-SD 4.37Å; V224-M256 HydrophobicContact CG1-CE 4.16Å; V224-M256 HydrophobicContact CG1-SD 3.88Å; V253-M256 HydrophobicContact CG1-CB 4Å; M256-E258 PolarHBondContact O-N 3.1Å; M256-L259 HydrophobicContact CG-CB 4.15Å; M256-L259 WeakPolarHBondContact O-CB 3.19Å; M256-L259 PolarHBondContact O-N 3.27Å; M256-L259 VanDerWaalsContact O-N 3.14Å; M256-L259 HydrophobicContact SD-CB 4.4Å; M256-L259 HydrophobicContact SD-CD2 4.08Å; M256-F283 HydrophobicContact CE-CB 4.35Å; M256-F283 HydrophobicContact CG-CB 3.82Å; M256-F283 HydrophobicContact CG-CD2 3.95Å; M256-F283 HydrophobicContact CG-CG 4.37Å; M256-F283 HydrophobicContact SD-CB 4.15Å; M256-F283 HydrophobicContact SD-CD2 3.92Å; M256-S284 WeakPolarHBondContact CE-O 3.36Å; M256-S284 WeakPolarHBondContact CG-O 3.43Å
257	V	93.5	Very high	93.5	Very high	99 Å²	99	50.8 Å²	50.8	60%	0.6	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-64.6	-25.2	-169.6	-63.6	0	0	0	0	113.8	L259 N260	V257-L259 PolarHBondContact O-N 3.28Å; V257-N260 PolarHBondContact O-N 3.32Å
258	E	93.8	Very high	93.5	Very high	70 Å²	70	54.4 Å²	54.4	33%	0.327	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-65.6	-21.2	177.9	-51.1	89.5	158	0	0	112.3	M256 N262 F283 S284	M256-E258 PolarHBondContact O-N 3.1Å; E258-N262 PolarHBondContact O-ND2 2.99Å; E258-F283 HydrophobicContact CB-CD1 4.14Å; E258-F283 HydrophobicContact CB-CD2 4.25Å; E258-F283 HydrophobicContact CB-CE1 4.21Å; E258-F283 HydrophobicContact CB-CE2 4.31Å; E258-F283 HydrophobicContact CB-CG 4.17Å; E258-F283 HydrophobicContact CB-CZ 4.29Å; E258-F283 HydrophobicContact CG-CD1 4.49Å; E258-S284 WeakPolarHBondContact OE1-CB 3.41Å; E258-S284 PolarHBondContact OE1-N 3.24Å; E258-S284 PolarHBondContact OE1-OG 2.8Å; E258-S284 PolarHBondContact OE2-N 2.91Å
259	L	94.3	Very high	93.5	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-81.1	-30.9	178	-164.7	64	0	0	0	111.9	V224 F250 V253 M256 V257 M265 I277 F283	V224-L259 HydrophobicContact CG1-CD2 4.36Å; V224-L259 HydrophobicContact CG2-CD2 4.32Å; F250-L259 HydrophobicContact CB-CD2 4.3Å; F250-L259 HydrophobicContact CB-CG 3.88Å; F250-L259 HydrophobicContact CD1-CD2 3.91Å; F250-L259 HydrophobicContact CD1-CG 4.31Å; F250-L259 HydrophobicContact CD2-CD1 3.67Å; F250-L259 HydrophobicContact CD2-CD2 3.97Å; F250-L259 HydrophobicContact CD2-CG 3.59Å; F250-L259 HydrophobicContact CE1-CD2 4.21Å; F250-L259 HydrophobicContact CE2-CD1 3.95Å; F250-L259 HydrophobicContact CE2-CD2 4.27Å; F250-L259 HydrophobicContact CE2-CG 4.2Å; F250-L259 HydrophobicContact CG-CD1 4.28Å; F250-L259 HydrophobicContact CG-CD2 3.79Å; F250-L259 HydrophobicContact CG-CG 3.66Å; F250-L259 HydrophobicContact CZ-CD2 4.4Å; V253-L259 HydrophobicContact CG1-CD2 4.38Å; V253-L259 HydrophobicContact CG2-CD2 4.25Å; M256-L259 HydrophobicContact CG-CB 4.15Å; M256-L259 WeakPolarHBondContact O-CB 3.19Å; M256-L259 PolarHBondContact O-N 3.27Å; M256-L259 VanDerWaalsContact O-N 3.14Å; M256-L259 HydrophobicContact SD-CB 4.4Å; M256-L259 HydrophobicContact SD-CD2 4.08Å; V257-L259 PolarHBondContact O-N 3.28Å; L259-M265 HydrophobicContact CD1-CE 3.87Å; L259-M265 HydrophobicContact CD1-SD 4.07Å; L259-I277 HydrophobicContact CD1-CD1 3.79Å; L259-I277 HydrophobicContact CD2-CD1 4.37Å; L259-F283 HydrophobicContact CD1-CE2 4.17Å
260	N	93.7	Very high	93.5	Very high	51 Å²	51	59.5 Å²	59.5	27%	0.273	33%	0.327	S	S	.	.	B	Isolated β-bridge	trans	-73.3	131.7	-177.7	-68.3	-38.6	0	0	0	112	F250 S251 E252 V253 V257 N262	F250-N260 WeakPolarHBondContact O-CA 3.15Å; S251-N260 WeakPolarHBondContact CA-OD1 3.13Å; E252-N260 PolarHBondContact N-OD1 3Å; V253-N260 VanDerWaalsContact CB-OD1 3.3Å; V253-N260 WeakPolarHBondContact CB-OD1 3.42Å; V253-N260 WeakPolarHBondContact CG2-OD1 3.46Å; V253-N260 PolarHBondContact N-ND2 3.07Å; V253-N260 PolarHBondContact N-OD1 2.57Å; V253-N260 PolarHBondContact O-ND2 2.87Å; V257-N260 PolarHBondContact O-N 3.32Å; N260-N262 PolarHBondContact O-N 3.31Å
261	G	86.9	Confident	93.5	Very high	75 Å²	75	60.3 Å²	60.3	77%	0.773	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.1	14.8	176.4	0	0	0	0	0	114.6	F250	F250-G261 PolarHBondContact O-N 3.48Å
262	N	86.2	Confident	93.5	Very high	68 Å²	68	61.3 Å²	61.3	36%	0.364	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-70.4	163.3	176	-155.2	-21	0	0	0	111.4	E258 N260 M265	E258-N262 PolarHBondContact O-ND2 2.99Å; N260-N262 PolarHBondContact O-N 3.31Å; N262-M265 HydrophobicContact CB-CE 4.15Å
263	Q	90.2	Very high	93.7	Very high	160 Å²	160	61 Å²	61	75%	0.748	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-61.4	154	171	-67.6	-175.5	4.8	0	0	110.6	M265	Q263-M265 PolarHBondContact O-N 3.37Å
264	P	93.4	Very high	93.8	Very high	54 Å²	54	62.9 Å²	62.9	35%	0.351	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-55.8	130.6	178.8	-23.7	34.2	0	0	0	111.4	F247 V248 V295 V297	F247-P264 HydrophobicContact CB-CB 3.86Å; F247-P264 HydrophobicContact CD1-CB 4.2Å; F247-P264 HydrophobicContact CG-CB 4.45Å; V248-P264 WeakPolarHBondContact O-CA 3.15Å; P264-V295 HydrophobicContact CB-CB 4.06Å; P264-V295 HydrophobicContact CB-CG1 4.22Å; P264-V295 HydrophobicContact CB-CG2 4.48Å; P264-V295 HydrophobicContact CG-CB 3.97Å; P264-V295 HydrophobicContact CG-CG1 3.66Å; P264-V295 HydrophobicContact CG-CG2 4.25Å; P264-V297 HydrophobicContact CB-CG1 4.08Å; P264-V297 HydrophobicContact CG-CG1 4.44Å
265	M	94	Very high	94.1	Very high	18 Å²	18	57.5 Å²	57.5	9%	0.089	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	139	178.6	64	-165.1	71.3	0	0	111	F247 V248 F250 L259 N262 Q263 I277	F247-M265 CarbonylContact C-O 3.51Å; F247-M265 VanDerWaalsContact CA-O 3.27Å; F247-M265 WeakPolarHBondContact CA-O 3.23Å; V248-M265 HydrophobicContact CG2-CG 4.08Å; V248-M265 PolarHBondContact N-O 3.28Å; V248-M265 PolarHBondContact O-N 2.71Å; F250-M265 HydrophobicContact CD2-CE 4.28Å; F250-M265 HydrophobicContact CD2-SD 4.39Å; F250-M265 HydrophobicContact CE2-CE 4.38Å; F250-M265 HydrophobicContact CE2-SD 3.9Å; L259-M265 HydrophobicContact CD1-CE 3.87Å; L259-M265 HydrophobicContact CD1-SD 4.07Å; N262-M265 HydrophobicContact CB-CE 4.15Å; Q263-M265 PolarHBondContact O-N 3.37Å; M265-I277 HydrophobicContact CG-CB 4.45Å; M265-I277 HydrophobicContact CG-CG2 4.48Å; M265-I277 HydrophobicContact SD-CB 3.84Å; M265-I277 HydrophobicContact SD-CD1 4.17Å; M265-I277 HydrophobicContact SD-CG2 4.13Å
266	E	95.3	Very high	94.4	Very high	121 Å²	121	57 Å²	57	57%	0.565	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.7	139.7	178	-169.3	179.6	164.8	0	0	110.6	D246 F247	D246-E266 CarbonylContact O-C 3.48Å; D246-E266 WeakPolarHBondContact O-CA 3.45Å; F247-E266 HydrophobicContact CD1-CB 4.25Å; F247-E266 HydrophobicContact CE1-CB 3.81Å; F247-E266 HydrophobicContact CE2-CG 4.45Å; F247-E266 HydrophobicContact CZ-CB 3.94Å; F247-E266 HydrophobicContact CZ-CG 4.23Å
267	I	96.5	Very high	94.4	Very high	5 Å²	5	57.4 Å²	57.4	3%	0.026	32%	0.32	C	S	.	.			trans	-111.9	157.2	178.7	74.9	172.5	0	0	0	112.2	F242 G245 D246 V248 F275 S276 I277	F242-I267 HydrophobicContact CB-CD1 3.42Å; F242-I267 VanDerWaalsContact CB-CD1 3.42Å; F242-I267 HydrophobicContact CD2-CD1 3.8Å; F242-I267 HydrophobicContact CG-CD1 3.86Å; G245-I267 PolarHBondContact N-O 3.49Å; D246-I267 HydrophobicContact CB-CD1 3.91Å; D246-I267 HydrophobicContact CB-CG1 3.93Å; D246-I267 PolarHBondContact O-N 3.37Å; V248-I267 HydrophobicContact CB-CG2 4.18Å; V248-I267 HydrophobicContact CG1-CD1 4.26Å; V248-I267 HydrophobicContact CG1-CG2 3.74Å; V248-I267 HydrophobicContact CG2-CG2 3.43Å; V248-I267 VanDerWaalsContact CG2-CG2 3.43Å; I267-F275 HydrophobicContact CB-CD2 3.98Å; I267-F275 HydrophobicContact CD1-CD2 4.33Å; I267-F275 HydrophobicContact CD1-CG 4.41Å; I267-F275 HydrophobicContact CG2-CD2 3.88Å; I267-F275 HydrophobicContact CG2-CE2 4.09Å; I267-S276 WeakPolarHBondContact CA-O 3.46Å; I267-I277 HydrophobicContact CG2-CG2 4.28Å
268	K	97.6	Very high	94.5	Very high	133 Å²	133	55 Å²	55	58%	0.578	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.7	122.8	165.8	-179.6	-176.5	-178.9	-178.1	0	109.8	L270 F275 S276	K268-L270 PolarHBondContact O-N 3.08Å; K268-F275 CarbonylContact O-C 3.59Å; K268-F275 VanDerWaalsContact O-CA 3.28Å; K268-F275 WeakPolarHBondContact O-CA 3.43Å; K268-F275 WeakPolarHBondContact O-CB 3.48Å; K268-S276 WeakPolarHBondContact CB-OG 3.42Å; K268-S276 PolarHBondContact N-O 3.38Å; K268-S276 PolarHBondContact O-N 2.8Å
269	V	97.1	Very high	94.6	Very high	43 Å²	43	54.9 Å²	54.9	26%	0.261	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	129.5	-178.5	177.3	0	0	0	0	109.8	F242 S244 G271	F242-V269 WeakPolarHBondContact O-CG2 3.48Å; S244-V269 PolarHBondContact OG-N 3.49Å; V269-G271 WeakPolarHBondContact CG1-O 3.48Å
270	L	96.7	Very high	94.6	Very high	93 Å²	93	54.9 Å²	54.9	49%	0.487	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	-22.6	178.9	-56.9	-179.8	0	0	0	112.2	V231 K268 T274	V231-L270 HydrophobicContact CG1-CD1 3.95Å; V231-L270 HydrophobicContact CG2-CD1 4.06Å; K268-L270 PolarHBondContact O-N 3.08Å; L270-T274 PolarHBondContact N-O 3.26Å
271	G	94.4	Very high	94.7	Very high	20 Å²	20	54.8 Å²	54.8	21%	0.206	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.8	-174.7	177.2	0	0	0	0	0	110.1	H240 V269 Y273 T274	H240-G271 PolarHBondContact NE2-O 2.83Å; V269-G271 WeakPolarHBondContact CG1-O 3.48Å; G271-Y273 PolarHBondContact O-N 3.31Å; G271-T274 PolarHBondContact N-O 3.29Å; G271-T274 VanDerWaalsContact O-O 3.12Å
272	P	94.5	Very high	95	Very high	68 Å²	68	58 Å²	58	44%	0.442	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-14.4	-179	25.8	-33.6	0	0	0	115	R239 H240	R239-P272 WeakPolarHBondContact CA-O 3.33Å; R239-P272 HydrophobicContact CG-CB 4.4Å; H240-P272 PolarHBondContact CD2-O 3.02Å; H240-P272 VanDerWaalsContact CD2-O 3.23Å; H240-P272 PolarHBondContact N-O 2.91Å; H240-P272 PolarHBondContact NE2-O 3.32Å
273	Y	95.6	Very high	95.4	Very high	71 Å²	71	56.6 Å²	56.6	28%	0.278	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.4	0.1	-177.3	-58.7	-72.6	0	0	0	113	C234 R239 G271	C234-Y273 PolarHBondContact N-O 3.17Å; R239-Y273 HydrophobicContact CG-CD1 4.48Å; R239-Y273 HydrophobicContact CG-CE1 3.77Å; G271-Y273 PolarHBondContact O-N 3.31Å
274	T	96.9	Very high	95.7	Very high	39 Å²	39	51.3 Å²	51.3	24%	0.239	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	139.9	-172.5	52.1	0	0	0	0	111.9	V232 T233 L270 G271	V232-T274 VanDerWaalsContact O-CA 3.26Å; V232-T274 WeakPolarHBondContact O-CA 3.34Å; T233-T274 HydrophobicContact CG2-CG2 4.04Å; L270-T274 PolarHBondContact N-O 3.26Å; G271-T274 PolarHBondContact N-O 3.29Å; G271-T274 VanDerWaalsContact O-O 3.12Å
275	F	97.7	Very high	95.8	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	156.4	174.6	60	-87.8	0	0	0	109.8	V232 F242 V248 F250 I267 K268 I277 V292	V232-F275 HydrophobicContact CB-CD1 4.42Å; V232-F275 HydrophobicContact CB-CD2 4.21Å; V232-F275 HydrophobicContact CB-CE1 3.98Å; V232-F275 HydrophobicContact CB-CE2 3.76Å; V232-F275 HydrophobicContact CB-CZ 3.62Å; V232-F275 HydrophobicContact CG1-CE1 3.84Å; V232-F275 HydrophobicContact CG1-CE2 4.17Å; V232-F275 HydrophobicContact CG1-CZ 3.53Å; V232-F275 HydrophobicContact CG2-CD2 4.44Å; V232-F275 HydrophobicContact CG2-CE2 3.84Å; V232-F275 HydrophobicContact CG2-CZ 4.07Å; V232-F275 PolarHBondContact N-O 2.85Å; V232-F275 PolarHBondContact O-N 3.45Å; F242-F275 HydrophobicContact CD2-CD1 4.11Å; F242-F275 AromaticContact CD2-CE1 4Å; F242-F275 HydrophobicContact CD2-CE1 4Å; F242-F275 HydrophobicContact CD2-CZ 4.42Å; F242-F275 HydrophobicContact CE2-CD1 4.36Å; F242-F275 AromaticContact CE2-CE1 3.78Å; F242-F275 HydrophobicContact CE2-CE1 3.78Å; F242-F275 HydrophobicContact CE2-CZ 4.02Å; V248-F275 HydrophobicContact CG2-CE2 4.37Å; F250-F275 HydrophobicContact CZ-CE2 4.16Å; F250-F275 HydrophobicContact CZ-CZ 4.29Å; I267-F275 HydrophobicContact CB-CD2 3.98Å; I267-F275 HydrophobicContact CD1-CD2 4.33Å; I267-F275 HydrophobicContact CD1-CG 4.41Å; I267-F275 HydrophobicContact CG2-CD2 3.88Å; I267-F275 HydrophobicContact CG2-CE2 4.09Å; K268-F275 CarbonylContact O-C 3.59Å; K268-F275 VanDerWaalsContact O-CA 3.28Å; K268-F275 WeakPolarHBondContact O-CA 3.43Å; K268-F275 WeakPolarHBondContact O-CB 3.48Å; F275-I277 HydrophobicContact CD2-CG2 3.92Å; F275-I277 HydrophobicContact CE2-CG2 3.66Å; F275-V292 HydrophobicContact CE1-CG1 4.49Å; F275-V292 HydrophobicContact CZ-CB 4.4Å; F275-V292 HydrophobicContact CZ-CG1 4.22Å; F275-V292 HydrophobicContact CZ-CG2 3.97Å
276	S	97.7	Very high	95.8	Very high	9 Å²	9	55.1 Å²	55.1	6%	0.063	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	150	173.9	68.3	0	0	0	0	112	G230 I267 K268	G230-S276 CarbonylContact O-C 3.55Å; G230-S276 WeakPolarHBondContact O-CA 3.35Å; G230-S276 WeakPolarHBondContact O-CB 3.36Å; I267-S276 WeakPolarHBondContact CA-O 3.46Å; K268-S276 WeakPolarHBondContact CB-OG 3.42Å; K268-S276 PolarHBondContact N-O 3.38Å; K268-S276 PolarHBondContact O-N 2.8Å
277	I	96.9	Very high	95.6	Very high	9 Å²	9	54.6 Å²	54.6	5%	0.046	30%	0.297	C	S	.	.			trans	-119.2	-159	177.7	58.1	169.5	0	0	0	110.6	V224 P229 G230 V232 F250 L259 M265 I267 F275 T280	V224-I277 HydrophobicContact CG1-CD1 4.38Å; P229-I277 WeakPolarHBondContact CB-O 3.48Å; G230-I277 WeakPolarHBondContact O-CG1 2.99Å; G230-I277 PolarHBondContact O-N 2.85Å; V232-I277 HydrophobicContact CG2-CD1 3.97Å; V232-I277 HydrophobicContact CG2-CG1 4.17Å; V232-I277 HydrophobicContact CG2-CG2 3.93Å; F250-I277 HydrophobicContact CE2-CD1 4.35Å; F250-I277 HydrophobicContact CE2-CG2 4.16Å; F250-I277 HydrophobicContact CZ-CD1 4.41Å; F250-I277 HydrophobicContact CZ-CG2 4.04Å; L259-I277 HydrophobicContact CD1-CD1 3.79Å; L259-I277 HydrophobicContact CD2-CD1 4.37Å; M265-I277 HydrophobicContact CG-CB 4.45Å; M265-I277 HydrophobicContact CG-CG2 4.48Å; M265-I277 HydrophobicContact SD-CB 3.84Å; M265-I277 HydrophobicContact SD-CD1 4.17Å; M265-I277 HydrophobicContact SD-CG2 4.13Å; I267-I277 HydrophobicContact CG2-CG2 4.28Å; F275-I277 HydrophobicContact CD2-CG2 3.92Å; F275-I277 HydrophobicContact CE2-CG2 3.66Å; I277-T280 HydrophobicContact CD1-CG2 3.8Å; I277-T280 HydrophobicContact CG1-CG2 4.16Å
278	C	94.3	Very high	95.2	Very high	49 Å²	49	60.1 Å²	60.1	33%	0.331	32%	0.318	S	S	.	.	S	Bend	trans	-63.6	179.5	175.1	66.8	0	0	0	0	113.2	G230 T280	G230-C278 PolarHBondContact N-O 3.25Å; G230-C278 VanDerWaalsContact N-O 3.08Å; C278-T280 PolarHBondContact O-N 3.4Å
279	D	96.3	Very high	94.7	Very high	66 Å²	66	55.3 Å²	55.3	35%	0.353	31%	0.306	S	S	.	.			trans	-62.7	124.4	171.7	-179.5	16.6	0	0	0	110.3	S281	D279-S281 WeakPolarHBondContact OD1-CB 3.16Å; D279-S281 PolarHBondContact OD1-N 3.19Å; D279-S281 PolarHBondContact OD1-OG 3.15Å
280	T	95.6	Very high	94.4	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	30%	0.296	C	S	.	.			trans	-112.1	1.1	179	55.4	0	0	0	0	112.3	T225 K226 D227 G230 I277 C278 N282 F283	T225-T280 PolarHBondContact O-OG1 3.43Å; K226-T280 WeakPolarHBondContact CG-O 3.06Å; D227-T280 PolarHBondContact N-OG1 3.31Å; D227-T280 PolarHBondContact O-N 3.42Å; D227-T280 PolarHBondContact O-OG1 2.74Å; G230-T280 VanDerWaalsContact CA-OG1 3.24Å; G230-T280 WeakPolarHBondContact CA-OG1 3.43Å; I277-T280 HydrophobicContact CD1-CG2 3.8Å; I277-T280 HydrophobicContact CG1-CG2 4.16Å; C278-T280 PolarHBondContact O-N 3.4Å; T280-N282 PolarHBondContact O-N 2.92Å; T280-F283 HydrophobicContact CG2-CD2 4.12Å; T280-F283 HydrophobicContact CG2-CE2 4.41Å; T280-F283 WeakPolarHBondContact O-CB 3.38Å; T280-F283 PolarHBondContact O-N 3.31Å
281	S	94.5	Very high	94.2	Very high	49 Å²	49	50.7 Å²	50.7	34%	0.343	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-33.6	-173.5	-52.6	0	0	0	0	113.4	K226 D279	K226-S281 WeakPolarHBondContact CE-O 3.26Å; D279-S281 WeakPolarHBondContact OD1-CB 3.16Å; D279-S281 PolarHBondContact OD1-N 3.19Å; D279-S281 PolarHBondContact OD1-OG 3.15Å
282	N	94.2	Very high	94.2	Very high	143 Å²	143	49.8 Å²	49.8	77%	0.765	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	2	-178.7	-64.8	-46.5	0	0	0	114.1	T280	T280-N282 PolarHBondContact O-N 2.92Å
283	F	95.3	Very high	94.2	Very high	38 Å²	38	48.3 Å²	48.3	17%	0.167	26%	0.263	C	S	.	.	S	Bend	trans	-83.4	164.9	-179.9	-71.1	5.7	0	0	0	111.5	K226 M256 E258 L259 T280	K226-F283 WeakPolarHBondContact CE-O 3.42Å; K226-F283 PolarHBondContact NZ-O 2.77Å; M256-F283 HydrophobicContact CE-CB 4.35Å; M256-F283 HydrophobicContact CG-CB 3.82Å; M256-F283 HydrophobicContact CG-CD2 3.95Å; M256-F283 HydrophobicContact CG-CG 4.37Å; M256-F283 HydrophobicContact SD-CB 4.15Å; M256-F283 HydrophobicContact SD-CD2 3.92Å; E258-F283 HydrophobicContact CB-CD1 4.14Å; E258-F283 HydrophobicContact CB-CD2 4.25Å; E258-F283 HydrophobicContact CB-CE1 4.21Å; E258-F283 HydrophobicContact CB-CE2 4.31Å; E258-F283 HydrophobicContact CB-CG 4.17Å; E258-F283 HydrophobicContact CB-CZ 4.29Å; E258-F283 HydrophobicContact CG-CD1 4.49Å; L259-F283 HydrophobicContact CD1-CE2 4.17Å; T280-F283 HydrophobicContact CG2-CD2 4.12Å; T280-F283 HydrophobicContact CG2-CE2 4.41Å; T280-F283 WeakPolarHBondContact O-CB 3.38Å; T280-F283 PolarHBondContact O-N 3.31Å
284	S	95.3	Very high	94.3	Very high	50 Å²	50	45.9 Å²	45.9	35%	0.35	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-67.6	158	173.4	-61.7	0	0	0	0	111.7	G255 M256 E258	G255-S284 WeakPolarHBondContact O-CB 3.48Å; M256-S284 WeakPolarHBondContact CE-O 3.36Å; M256-S284 WeakPolarHBondContact CG-O 3.43Å; E258-S284 WeakPolarHBondContact OE1-CB 3.41Å; E258-S284 PolarHBondContact OE1-N 3.24Å; E258-S284 PolarHBondContact OE1-OG 2.8Å; E258-S284 PolarHBondContact OE2-N 2.91Å
285	D	95.1	Very high	94.1	Very high	109 Å²	109	46.2 Å²	46.2	58%	0.583	26%	0.256	S	S	*	.	P	Polyproline II helix	trans	-72.9	135.5	-175.8	-63.6	-29.6	0	0	0	111.7	K226 G255	K226-D285 WeakPolarHBondContact CD-OD1 3.29Å; K226-D285 IonicContact NZ-OD1 2.84Å; K226-D285 PolarHBondContact NZ-OD1 3.36Å; G255-D285 CarbonylContact C-O 3.56Å; G255-D285 WeakPolarHBondContact CA-O 3.22Å; G255-D285 VanDerWaalsContact O-O 3.1Å
286	Y	95.4	Very high	93.9	Very high	43 Å²	43	48.5 Å²	48.5	17%	0.169	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-62.4	135.8	174.9	175.7	-95.3	0	0	0	111.5	V221 S222 V224 V253 R288 G289	V221-Y286 HydrophobicContact CG1-CE2 4.11Å; V221-Y286 PolarHBondContact O-OH 3.49Å; S222-Y286 WeakPolarHBondContact O-CE1 3.47Å; S222-Y286 PolarHBondContact O-OH 3.21Å; S222-Y286 VanDerWaalsContact O-OH 3.11Å; V224-Y286 HydrophobicContact CB-CD2 4.12Å; V224-Y286 HydrophobicContact CB-CG 4.4Å; V224-Y286 HydrophobicContact CG2-CD2 3.96Å; V224-Y286 HydrophobicContact CG2-CE2 4.23Å; V253-Y286 HydrophobicContact CG1-CD2 3.81Å; V253-Y286 HydrophobicContact CG1-CE2 4.01Å; Y286-R288 VanDerWaalsContact CZ-CA 3.45Å; Y286-R288 WeakPolarHBondContact OH-CA 3.32Å; Y286-G289 WeakPolarHBondContact CE2-O 3.31Å; Y286-G289 PolarHBondContact OH-N 3.12Å; Y286-G289 PolarHBondContact OH-O 3.43Å
287	I	90.6	Very high	93.6	Very high	109 Å²	109	50.7 Å²	50.7	56%	0.559	28%	0.279	S	S	*	.			trans	-107.8	-59.5	176	-62.4	169.4	0	0	0	111	Q254	Q254-I287 HydrophobicContact CB-CB 4.49Å; Q254-I287 WeakPolarHBondContact O-CB 3.46Å; Q254-I287 PolarHBondContact O-N 3.39Å
288	R	87.7	Confident	93.4	Very high	122 Å²	122	54.6 Å²	54.6	46%	0.46	31%	0.305	S	S	.	.	B	Isolated β-bridge	trans	-171.9	168.7	-177.5	64.3	-174.8	62.6	178.9	0.7	112.1	Q254 Y286	Q254-R288 HydrophobicContact CB-CG 4.25Å; Q254-R288 WeakPolarHBondContact CB-O 3.46Å; Q254-R288 PolarHBondContact N-O 2.84Å; Q254-R288 PolarHBondContact O-N 3.43Å; Y286-R288 VanDerWaalsContact CZ-CA 3.45Å; Y286-R288 WeakPolarHBondContact OH-CA 3.32Å
289	G	87	Confident	93.4	Very high	31 Å²	31	58.5 Å²	58.5	32%	0.32	32%	0.316	S	S	.	.			trans	69.5	-166.7	172.8	0	0	0	0	0	112.9	Y286	Y286-G289 WeakPolarHBondContact CE2-O 3.31Å; Y286-G289 PolarHBondContact OH-N 3.12Å; Y286-G289 PolarHBondContact OH-O 3.43Å
290	G	91.3	Very high	93.3	Very high	6 Å²	6	61.6 Å²	61.6	6%	0.062	33%	0.326	C	S	.	.			trans	117.5	141.3	-178.8	0	0	0	0	0	112.7	V221 S251 E252	V221-G290 PolarHBondContact N-O 3.43Å; S251-G290 CarbonylContact O-C 3.53Å; S251-G290 WeakPolarHBondContact O-CA 3.33Å; E252-G290 PolarHBondContact O-N 3.34Å
291	I	92.7	Very high	93.4	Very high	34 Å²	34	62.2 Å²	62.2	17%	0.174	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	128.6	171.6	-58.8	175	0	0	0	106.7	S218 F250 S251	S218-I291 VanDerWaalsContact OG-CG2 3.32Å; S218-I291 WeakPolarHBondContact OG-CG2 3.45Å; F250-I291 WeakPolarHBondContact CA-O 3.38Å; S251-I291 PolarHBondContact N-O 3.5Å; S251-I291 PolarHBondContact O-N 3.17Å
292	V	94.8	Very high	93.5	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	135.8	169	58.3	0	0	0	0	108.9	S218 A219 V221 F242 V248 S249 F250 F275	S218-V292 VanDerWaalsContact CA-O 3.22Å; S218-V292 WeakPolarHBondContact CA-O 3.3Å; S218-V292 WeakPolarHBondContact CB-O 3.48Å; S218-V292 PolarHBondContact OG-O 2.92Å; A219-V292 HydrophobicContact CB-CG1 3.72Å; A219-V292 PolarHBondContact N-O 2.83Å; A219-V292 VanDerWaalsContact O-CG1 3.25Å; A219-V292 WeakPolarHBondContact O-CG1 3.38Å; A219-V292 PolarHBondContact O-N 2.79Å; V221-V292 HydrophobicContact CG2-CB 4.4Å; V221-V292 HydrophobicContact CG2-CG1 4.47Å; F242-V292 HydrophobicContact CE2-CG1 3.84Å; F242-V292 HydrophobicContact CE2-CG2 3.99Å; F242-V292 HydrophobicContact CZ-CG1 3.83Å; F242-V292 HydrophobicContact CZ-CG2 3.99Å; V248-V292 HydrophobicContact CB-CG2 3.56Å; V248-V292 HydrophobicContact CG1-CG2 3.84Å; V248-V292 HydrophobicContact CG2-CG2 3.88Å; S249-V292 WeakPolarHBondContact O-CA 3.48Å; F250-V292 HydrophobicContact CD1-CB 4.05Å; F250-V292 HydrophobicContact CD1-CG2 4.4Å; F250-V292 HydrophobicContact CE1-CB 3.76Å; F250-V292 HydrophobicContact CE1-CG2 3.93Å; F250-V292 HydrophobicContact CZ-CB 4.33Å; F250-V292 HydrophobicContact CZ-CG2 3.99Å; F275-V292 HydrophobicContact CE1-CG1 4.49Å; F275-V292 HydrophobicContact CZ-CB 4.4Å; F275-V292 HydrophobicContact CZ-CG1 4.22Å; F275-V292 HydrophobicContact CZ-CG2 3.97Å
293	S	94.5	Very high	93.7	Very high	38 Å²	38	57.3 Å²	57.3	27%	0.266	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	127.4	177.2	-59.7	0	0	0	0	109.6	V248 S249	V248-S293 CarbonylContact C-O 3.59Å; V248-S293 VanDerWaalsContact CA-O 3.29Å; V248-S293 WeakPolarHBondContact CA-O 3.45Å; S249-S293 PolarHBondContact N-O 3.14Å; S249-S293 PolarHBondContact O-N 2.76Å
294	Q	95.8	Very high	93.9	Very high	20 Å²	20	58.9 Å²	58.9	9%	0.093	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	142.4	172.6	-167.2	-176.5	20.6	0	0	109.8	P216 L217 F242 D246 F247	P216-Q294 HydrophobicContact CB-CB 4.2Å; P216-Q294 WeakPolarHBondContact CB-O 3.19Å; L217-Q294 HydrophobicContact CB-CB 4.47Å; L217-Q294 WeakPolarHBondContact O-CB 3.34Å; L217-Q294 PolarHBondContact O-N 3.27Å; F242-Q294 HydrophobicContact CD1-CB 4.33Å; F242-Q294 HydrophobicContact CE1-CB 3.96Å; D246-Q294 PolarHBondContact OD1-NE2 2.94Å; D246-Q294 PolarHBondContact OD2-NE2 3.02Å; F247-Q294 CarbonylContact O-C 3.39Å; F247-Q294 WeakPolarHBondContact O-CA 3.36Å
295	V	94.2	Very high	94	Very high	46 Å²	46	57.7 Å²	57.7	28%	0.279	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	124.2	176.2	-176.2	0	0	0	0	108.7	F247 P264 V297	F247-V295 PolarHBondContact O-N 3Å; P264-V295 HydrophobicContact CB-CB 4.06Å; P264-V295 HydrophobicContact CB-CG1 4.22Å; P264-V295 HydrophobicContact CB-CG2 4.48Å; P264-V295 HydrophobicContact CG-CB 3.97Å; P264-V295 HydrophobicContact CG-CG1 3.66Å; P264-V295 HydrophobicContact CG-CG2 4.25Å; V295-V297 PolarHBondContact O-N 3.21Å
296	K	92.3	Very high	94.2	Very high	48 Å²	48	52.5 Å²	52.5	21%	0.209	28%	0.276	C	S	.	.			trans	-81.4	111.2	175	-59.3	-168.7	-174.6	-172.5	0	109.4	D210 N212 E214	D210-K296 HydrophobicContact CB-CD 4.08Å; D210-K296 VanDerWaalsContact CG-CD 3.44Å; D210-K296 WeakPolarHBondContact OD1-CD 3.36Å; D210-K296 IonicContact OD1-NZ 3.58Å; D210-K296 PolarHBondContact OD1-NZ 3.39Å; D210-K296 IonicContact OD2-NZ 3.24Å; D210-K296 PolarHBondContact OD2-NZ 2.96Å; N212-K296 WeakPolarHBondContact OD1-CE 3.43Å; N212-K296 PolarHBondContact OD1-NZ 2.66Å; E214-K296 VanDerWaalsContact O-CE 3.25Å; E214-K296 WeakPolarHBondContact O-CE 3.3Å; E214-K296 PolarHBondContact O-NZ 2.87Å
297	V	92	Very high	94.3	Very high	54 Å²	54	53.2 Å²	53.2	33%	0.327	29%	0.285	S	S	.	.			trans	-86	141.7	177.5	-64.6	0	0	0	0	110.5	F247 P264 V295 K299	F247-V297 HydrophobicContact CB-CG1 3.91Å; F247-V297 HydrophobicContact CD1-CG1 4.06Å; F247-V297 HydrophobicContact CD2-CB 4.43Å; F247-V297 HydrophobicContact CD2-CG1 4.07Å; F247-V297 HydrophobicContact CD2-CG2 3.46Å; F247-V297 VanDerWaalsContact CD2-CG2 3.46Å; F247-V297 HydrophobicContact CE2-CG2 3.62Å; F247-V297 HydrophobicContact CG-CG1 3.74Å; F247-V297 HydrophobicContact CG-CG2 4.04Å; F247-V297 HydrophobicContact CZ-CG2 4.29Å; P264-V297 HydrophobicContact CB-CG1 4.08Å; P264-V297 HydrophobicContact CG-CG1 4.44Å; V295-V297 PolarHBondContact O-N 3.21Å; V297-K299 PolarHBondContact O-N 3.49Å
298	P	93.8	Very high	94.6	Very high	91 Å²	91	49.8 Å²	49.8	59%	0.591	27%	0.273	S	S	*	.			trans	-62.6	132.3	176.7	-22.7	33	0	0	0	112.2	I207 L208	I207-P298 HydrophobicContact CG2-CB 3.84Å; L208-P298 CarbonylContact O-C 3.56Å; L208-P298 WeakPolarHBondContact O-CA 3.32Å
299	K	92.3	Very high	95.1	Very high	132 Å²	132	44 Å²	44	57%	0.574	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.3	135.8	176.5	-175.9	175.4	178.7	179	0	110.4	L208 V297 I301	L208-K299 PolarHBondContact N-O 3.37Å; L208-K299 PolarHBondContact O-N 3.17Å; V297-K299 PolarHBondContact O-N 3.49Å; K299-I301 HydrophobicContact CD-CG2 4.47Å; K299-I301 HydrophobicContact CG-CG2 4.37Å
300	K	95.6	Very high	95.6	Very high	130 Å²	130	43.8 Å²	43.8	57%	0.565	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-85.5	133.2	168.9	-58.1	-159.9	171.5	-167.7	0	109.9	E205 M206 I207	E205-K300 HydrophobicContact CG-CD 4.38Å; E205-K300 IonicContact OE1-NZ 3.48Å; E205-K300 IonicContact OE2-NZ 3.81Å; E205-K300 PolarHBondContact OE2-NZ 3.4Å; M206-K300 WeakPolarHBondContact O-CA 3.36Å; I207-K300 HydrophobicContact CD1-CD 4.04Å; I207-K300 HydrophobicContact CD1-CG 3.62Å
301	I	96.2	Very high	95.9	Very high	13 Å²	13	45.6 Å²	45.6	7%	0.067	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	155	170	61.1	170.4	0	0	0	109.8	M206 L208 K299 F303 P419 M421	M206-I301 HydrophobicContact CB-CG1 4.01Å; M206-I301 PolarHBondContact N-O 2.99Å; M206-I301 PolarHBondContact O-N 2.74Å; M206-I301 HydrophobicContact SD-CD1 4.47Å; L208-I301 HydrophobicContact CD1-CD1 3.71Å; L208-I301 HydrophobicContact CD1-CG1 4.35Å; L208-I301 HydrophobicContact CD1-CG2 4.32Å; L208-I301 HydrophobicContact CD2-CD1 4.27Å; L208-I301 HydrophobicContact CG-CD1 3.9Å; L208-I301 HydrophobicContact CG-CG1 4.23Å; K299-I301 HydrophobicContact CD-CG2 4.47Å; K299-I301 HydrophobicContact CG-CG2 4.37Å; I301-F303 HydrophobicContact CD1-CE2 3.49Å; I301-F303 VanDerWaalsContact CD1-CE2 3.49Å; I301-F303 HydrophobicContact CD1-CZ 3.82Å; I301-F303 HydrophobicContact CG1-CE2 3.89Å; I301-P419 HydrophobicContact CD1-CG 4.07Å; I301-M421 HydrophobicContact CB-CE 4.37Å; I301-M421 HydrophobicContact CB-SD 4.36Å; I301-M421 HydrophobicContact CD1-SD 3.86Å
302	S	97.9	Very high	96.1	Very high	81 Å²	81	48.9 Å²	48.9	57%	0.566	27%	0.272	S	S	*	.			trans	-126.6	134.3	-176.2	-59.1	0	0	0	0	110.1	E204 M421	E204-S302 WeakPolarHBondContact O-CA 3.49Å; E204-S302 WeakPolarHBondContact O-CB 3.35Å; E204-S302 PolarHBondContact O-OG 3.05Å; S302-M421 WeakPolarHBondContact O-CE 3.48Å
303	F	98.6	Very high	96.2	Very high	9 Å²	9	49.8 Å²	49.8	4%	0.039	28%	0.277	C	S	.	.			trans	-104.2	140.7	175.4	-69.5	-104.8	0	0	0	110.4	H180 C200 D201 F202 G203 M206 I301 P419 M421 Q422	H180-F303 PolarHBondContact CE1-O 3.4Å; C200-F303 HydrophobicContact CB-CE1 4.37Å; C200-F303 VanDerWaalsContact O-CD1 3.29Å; C200-F303 WeakPolarHBondContact O-CD1 3.3Å; D201-F303 WeakPolarHBondContact OD1-CB 3.48Å; F202-F303 HydrophobicContact CB-CD2 3.84Å; F202-F303 HydrophobicContact CB-CE2 3.71Å; F202-F303 HydrophobicContact CB-CG 4.35Å; F202-F303 HydrophobicContact CB-CZ 4.11Å; F202-F303 HydrophobicContact CD2-CE1 4.4Å; F202-F303 HydrophobicContact CD2-CE2 4.22Å; F202-F303 AromaticContact CD2-CZ 3.88Å; F202-F303 HydrophobicContact CD2-CZ 3.88Å; F202-F303 HydrophobicContact CG-CE2 4.33Å; F202-F303 HydrophobicContact CG-CZ 4.24Å; G203-F303 WeakPolarHBondContact O-CB 3.37Å; G203-F303 WeakPolarHBondContact O-CD2 3.42Å; G203-F303 PolarHBondContact O-N 3.02Å; M206-F303 HydrophobicContact CB-CE2 4.42Å; M206-F303 HydrophobicContact SD-CE2 4.14Å; I301-F303 HydrophobicContact CD1-CE2 3.49Å; I301-F303 VanDerWaalsContact CD1-CE2 3.49Å; I301-F303 HydrophobicContact CD1-CZ 3.82Å; I301-F303 HydrophobicContact CG1-CE2 3.89Å; F303-P419 HydrophobicContact CE1-CB 4.4Å; F303-P419 HydrophobicContact CZ-CB 3.81Å; F303-P419 HydrophobicContact CZ-CG 4.03Å; F303-M421 HydrophobicContact CE1-CE 4.39Å; F303-M421 HydrophobicContact CE1-CG 3.77Å; F303-M421 HydrophobicContact CE2-CE 4.37Å; F303-M421 HydrophobicContact CZ-CE 4.25Å; F303-M421 HydrophobicContact CZ-CG 3.79Å; F303-M421 HydrophobicContact CZ-SD 4.23Å; F303-Q422 HydrophobicContact CD1-CG 3.97Å; F303-Q422 HydrophobicContact CE1-CG 4.42Å
304	K	98.4	Very high	96.4	Very high	70 Å²	70	51.3 Å²	51.3	30%	0.304	28%	0.283	S	S	.	.			trans	-70.2	150.3	160.6	-62.8	171.3	-177.8	156.6	0	109.8	A308 E312 D314 Q422	K304-A308 HydrophobicContact CB-CB 4.14Å; K304-E312 PolarHBondContact NZ-O 2.8Å; K304-D314 IonicContact NZ-OD1 3.82Å; K304-D314 IonicContact NZ-OD2 3.93Å; K304-D314 PolarHBondContact NZ-OD2 3.01Å; K304-Q422 PolarHBondContact O-NE2 2.83Å
305	S	98.4	Very high	96.5	Very high	25 Å²	25	53.8 Å²	53.8	18%	0.175	29%	0.293	C	S	.	.			trans	-64	161.4	169.9	70.6	0	0	0	0	111.5	D201 V307 A308 S309	D201-S305 WeakPolarHBondContact OD2-CA 3.38Å; S305-V307 VanDerWaalsContact C-N 3.27Å; S305-V307 PolarHBondContact O-N 2.89Å; S305-A308 PolarHBondContact O-N 3.43Å; S305-A308 PolarHBondContact OG-N 2.98Å; S305-S309 VanDerWaalsContact O-CB 3.27Å; S305-S309 WeakPolarHBondContact O-CB 3.15Å; S305-S309 PolarHBondContact O-N 3.04Å
306	L	98.3	Very high	96.7	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-54.3	-43.4	177.5	-166.6	152.2	0	0	0	112.1	L169 Q172 L173 L186 V188 F199 S309 L310	L169-L306 HydrophobicContact CD1-CD2 4.36Å; Q172-L306 HydrophobicContact CB-CD1 4.25Å; L173-L306 HydrophobicContact CD2-CD2 3.3Å; L173-L306 HydrophobicContact CG-CD2 4.1Å; L186-L306 HydrophobicContact CD2-CD1 4.09Å; V188-L306 HydrophobicContact CG2-CD1 3.88Å; F199-L306 HydrophobicContact CD1-CD1 3.89Å; F199-L306 HydrophobicContact CD1-CG 4.14Å; F199-L306 HydrophobicContact CE1-CB 3.7Å; F199-L306 HydrophobicContact CE1-CD1 3.85Å; F199-L306 HydrophobicContact CE1-CG 3.77Å; F199-L306 HydrophobicContact CZ-CB 4.04Å; F199-L306 HydrophobicContact CZ-CG 4.28Å; L306-S309 PolarHBondContact O-N 2.83Å; L306-L310 VanDerWaalsContact O-CB 3.24Å; L306-L310 WeakPolarHBondContact O-CB 3.42Å; L306-L310 PolarHBondContact O-N 2.94Å
307	V	97.5	Very high	97	Very high	58 Å²	58	51.7 Å²	51.7	35%	0.352	28%	0.284	S	S	.	.	H	α-helix	trans	-62.5	-47.4	178.8	179.1	0	0	0	0	111.6	L173 E177 S305 L310 A311	L173-V307 HydrophobicContact CD2-CB 4.42Å; L173-V307 HydrophobicContact CD2-CG2 3.63Å; E177-V307 HydrophobicContact CG-CG2 3.84Å; E177-V307 WeakPolarHBondContact OE1-CG2 3.28Å; S305-V307 VanDerWaalsContact C-N 3.27Å; S305-V307 PolarHBondContact O-N 2.89Å; V307-L310 PolarHBondContact O-N 3.48Å; V307-A311 PolarHBondContact O-N 2.85Å
308	A	97.7	Very high	97.2	Very high	38 Å²	38	49.4 Å²	49.4	31%	0.314	27%	0.271	S	S	.	.	H	α-helix	trans	-67.7	-41.4	180	0	0	0	0	0	111.4	K304 S305 A311 E312	K304-A308 HydrophobicContact CB-CB 4.14Å; S305-A308 PolarHBondContact O-N 3.43Å; S305-A308 PolarHBondContact OG-N 2.98Å; A308-A311 PolarHBondContact O-N 3.05Å; A308-E312 PolarHBondContact O-N 2.71Å
309	S	97.9	Very high	97.4	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-71.2	-28.1	179.3	-162.1	0	0	0	0	113.2	S305 L306 A311 E312 P313 Q422 W423	S305-S309 VanDerWaalsContact O-CB 3.27Å; S305-S309 WeakPolarHBondContact O-CB 3.15Å; S305-S309 PolarHBondContact O-N 3.04Å; L306-S309 PolarHBondContact O-N 2.83Å; S309-A311 VanDerWaalsContact C-N 3.25Å; S309-A311 PolarHBondContact O-N 3.09Å; S309-E312 CarbonylContact O-C 3.31Å; S309-P313 WeakPolarHBondContact O-CA 3.39Å; S309-P313 WeakPolarHBondContact O-CB 3.23Å; S309-P313 VanDerWaalsContact O-N 3.14Å; S309-Q422 PolarHBondContact OG-OE1 3.19Å; S309-W423 PolarHBondContact O-NE1 3.15Å; S309-W423 PolarHBondContact OG-NE1 3.31Å
310	L	97.5	Very high	97.6	Very high	26 Å²	26	44.8 Å²	44.8	14%	0.136	24%	0.242	C	C	.	.	H	α-helix	trans	-67.7	-28.1	171.6	-166.3	71.4	0	0	0	112	L169 L173 L306 V307 H330 Q334 W423	L169-L310 HydrophobicContact CD1-CD2 4.38Å; L169-L310 HydrophobicContact CD2-CD2 4.17Å; L173-L310 HydrophobicContact CD2-CD2 4.28Å; L306-L310 VanDerWaalsContact O-CB 3.24Å; L306-L310 WeakPolarHBondContact O-CB 3.42Å; L306-L310 PolarHBondContact O-N 2.94Å; V307-L310 PolarHBondContact O-N 3.48Å; L310-H330 PolarHBondContact O-NE2 3Å; L310-H330 VanDerWaalsContact O-NE2 3.09Å; L310-Q334 HydrophobicContact CD1-CG 3.76Å; L310-Q334 HydrophobicContact CG-CG 4.41Å; L310-W423 HydrophobicContact CD1-CH2 4.24Å; L310-W423 HydrophobicContact CD1-CZ2 4.09Å
311	A	97	Very high	97.6	Very high	44 Å²	44	42.9 Å²	42.9	36%	0.364	25%	0.25	S	S	.	.	H	α-helix	trans	-88.8	-32.4	176.9	0	0	0	0	0	113.1	V307 A308 S309 L370 V373	V307-A311 PolarHBondContact O-N 2.85Å; A308-A311 PolarHBondContact O-N 3.05Å; S309-A311 VanDerWaalsContact C-N 3.25Å; S309-A311 PolarHBondContact O-N 3.09Å; A311-L370 HydrophobicContact CB-CD1 4.48Å; A311-V373 VanDerWaalsContact O-CG2 3.31Å; A311-V373 WeakPolarHBondContact O-CG2 3.45Å
312	E	97.1	Very high	97.7	Very high	104 Å²	104	43 Å²	43	49%	0.486	25%	0.25	S	S	.	.	S	Bend	trans	-133.8	74.8	-179.3	-65.7	-174.7	95	0	0	110.8	K304 A308 S309 L370	K304-E312 PolarHBondContact NZ-O 2.8Å; A308-E312 PolarHBondContact O-N 2.71Å; S309-E312 CarbonylContact O-C 3.31Å; E312-L370 HydrophobicContact CG-CD1 3.71Å
313	P	97.7	Very high	97.6	Very high	18 Å²	18	45.6 Å²	45.6	12%	0.117	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-74.9	137.8	-170.6	30	-35.9	0	0	0	113.1	S309 F315 V373 W423	S309-P313 WeakPolarHBondContact O-CA 3.39Å; S309-P313 WeakPolarHBondContact O-CB 3.23Å; S309-P313 VanDerWaalsContact O-N 3.14Å; P313-F315 HydrophobicContact CB-CE1 3.85Å; P313-F315 HydrophobicContact CB-CE2 4.16Å; P313-F315 HydrophobicContact CB-CZ 3.63Å; P313-F315 HydrophobicContact CG-CE1 4.18Å; P313-F315 HydrophobicContact CG-CE2 3.83Å; P313-F315 HydrophobicContact CG-CZ 3.45Å; P313-F315 VanDerWaalsContact CG-CZ 3.45Å; P313-V373 HydrophobicContact CG-CG1 4.2Å; P313-W423 HydrophobicContact CB-CG 4.46Å
314	D	97.8	Very high	97.5	Very high	71 Å²	71	49.4 Å²	49.4	38%	0.38	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-103.2	118.7	168	-64.5	-75.4	0	0	0	109	K304 Q422 W423	K304-D314 IonicContact NZ-OD1 3.82Å; K304-D314 IonicContact NZ-OD2 3.93Å; K304-D314 PolarHBondContact NZ-OD2 3.01Å; D314-Q422 PolarHBondContact O-N 3.4Å; D314-W423 PolarHBondContact O-N 2.99Å
315	F	98.2	Very high	97.5	Very high	72 Å²	72	48.8 Å²	48.8	32%	0.316	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	136.5	-172.9	-60.6	-66.2	0	0	0	113.3	P313 P326 A327 H330 W423 Y425	P313-F315 HydrophobicContact CB-CE1 3.85Å; P313-F315 HydrophobicContact CB-CE2 4.16Å; P313-F315 HydrophobicContact CB-CZ 3.63Å; P313-F315 HydrophobicContact CG-CE1 4.18Å; P313-F315 HydrophobicContact CG-CE2 3.83Å; P313-F315 HydrophobicContact CG-CZ 3.45Å; P313-F315 VanDerWaalsContact CG-CZ 3.45Å; F315-P326 HydrophobicContact CB-CB 4.24Å; F315-P326 HydrophobicContact CD1-CB 3.74Å; F315-P326 HydrophobicContact CD2-CB 4.49Å; F315-P326 HydrophobicContact CE1-CB 4.2Å; F315-P326 HydrophobicContact CG-CB 3.91Å; F315-A327 HydrophobicContact CE2-CB 4.22Å; F315-A327 HydrophobicContact CZ-CB 4.37Å; F315-H330 HydrophobicContact CE1-CB 3.93Å; F315-H330 HydrophobicContact CZ-CB 4Å; F315-W423 CarbonylContact C-O 3.41Å; F315-W423 WeakPolarHBondContact CA-O 3.39Å; F315-W423 HydrophobicContact CD1-CB 3.94Å; F315-W423 HydrophobicContact CE1-CB 4.28Å; F315-Y425 HydrophobicContact CD1-CD2 4.02Å; F315-Y425 HydrophobicContact CD1-CE2 4.16Å; F315-Y425 AromaticContact CE1-CD2 3.97Å; F315-Y425 HydrophobicContact CE1-CD2 3.97Å; F315-Y425 AromaticContact CE1-CE2 3.76Å; F315-Y425 HydrophobicContact CE1-CE2 3.76Å
316	V	98.3	Very high	97.5	Very high	25 Å²	25	48 Å²	48	15%	0.152	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	116.4	161.4	179.5	0	0	0	0	108.2	I420 W423 L424 F934	V316-I420 HydrophobicContact CB-CG2 4.33Å; V316-I420 HydrophobicContact CG2-CG2 3.86Å; V316-W423 PolarHBondContact N-O 2.95Å; V316-L424 HydrophobicContact CG1-CD1 4.49Å; V316-F934 HydrophobicContact CG1-CE2 4.46Å
317	V	98	Very high	97.5	Very high	24 Å²	24	48.8 Å²	48.8	15%	0.145	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-74	130.9	-178.7	179.2	0	0	0	0	110	D319 F320 F323	V317-D319 WeakPolarHBondContact CG1-O 3.22Å; V317-F320 HydrophobicContact CG1-CD1 4.31Å; V317-F320 HydrophobicContact CG1-CG 4.33Å; V317-F323 HydrophobicContact CG1-CD2 4.18Å; V317-F323 HydrophobicContact CG2-CD2 3.81Å; V317-F323 HydrophobicContact CG2-CE2 3.75Å
318	T	97.7	Very high	97.5	Very high	7 Å²	7	46.8 Å²	46.8	4%	0.043	26%	0.263	C	S	.	.	S	Bend	trans	-92.6	-38.6	178.1	51.4	0	0	0	0	113	L424 Y425 F426 F934 F936	T318-L424 HydrophobicContact CG2-CD1 3.83Å; T318-L424 HydrophobicContact CG2-CD2 3.51Å; T318-L424 HydrophobicContact CG2-CG 3.43Å; T318-L424 VanDerWaalsContact CG2-CG 3.43Å; T318-Y425 WeakPolarHBondContact CG2-O 3.43Å; T318-Y425 PolarHBondContact OG1-O 3.28Å; T318-F426 HydrophobicContact CG2-CB 4.25Å; T318-F426 HydrophobicContact CG2-CD2 4.44Å; T318-F934 CarbonylContact O-C 3.59Å; T318-F934 VanDerWaalsContact O-CB 3.25Å; T318-F934 WeakPolarHBondContact O-CB 3.13Å; T318-F936 VanDerWaalsContact O-CD2 3.26Å; T318-F936 WeakPolarHBondContact O-CD2 3.35Å; T318-F936 VanDerWaalsContact O-CE2 3.27Å; T318-F936 WeakPolarHBondContact O-CE2 3.47Å
319	D	97	Very high	97.5	Very high	6 Å²	6	45 Å²	45	3%	0.032	25%	0.248	C	C	.	.			trans	-135	116.1	178.5	-177	-10.9	0	0	0	108.7	V317 A321 K322 F323 F936	V317-D319 WeakPolarHBondContact CG1-O 3.22Å; D319-A321 PolarHBondContact O-N 3.22Å; D319-A321 VanDerWaalsContact OD1-CB 3.3Å; D319-A321 WeakPolarHBondContact OD1-CB 3.41Å; D319-A321 PolarHBondContact OD1-N 2.92Å; D319-K322 HydrophobicContact CB-CB 4.17Å; D319-K322 HydrophobicContact CB-CD 4.04Å; D319-K322 HydrophobicContact CB-CG 4.13Å; D319-K322 CarbonylContact O-C 3.6Å; D319-K322 WeakPolarHBondContact O-CA 3.48Å; D319-K322 PolarHBondContact O-N 2.69Å; D319-K322 VanDerWaalsContact OD2-CE 3.29Å; D319-K322 WeakPolarHBondContact OD2-CE 3.43Å; D319-F323 PolarHBondContact O-N 3.4Å; D319-F936 HydrophobicContact CB-CD2 3.82Å
320	F	96.7	Very high	97.6	Very high	119 Å²	119	45.2 Å²	45.2	52%	0.522	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-67.8	-21.6	-178.6	-70.8	-91.9	0	0	0	112.7	V317 K322 F323 F933	V317-F320 HydrophobicContact CG1-CD1 4.31Å; V317-F320 HydrophobicContact CG1-CG 4.33Å; F320-K322 PolarHBondContact O-N 3.23Å; F320-F323 HydrophobicContact CD1-CD2 4.4Å; F320-F933 AromaticContact CE2-CE2 3.97Å; F320-F933 HydrophobicContact CE2-CE2 3.97Å
321	A	96.6	Very high	97.6	Very high	90 Å²	90	44.2 Å²	44.2	74%	0.744	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-69.6	-19.3	170.1	0	0	0	0	0	112.2	D319	D319-A321 PolarHBondContact O-N 3.22Å; D319-A321 VanDerWaalsContact OD1-CB 3.3Å; D319-A321 WeakPolarHBondContact OD1-CB 3.41Å; D319-A321 PolarHBondContact OD1-N 2.92Å
322	K	97.4	Very high	97.7	Very high	17 Å²	17	42.1 Å²	42.1	7%	0.074	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-111.9	27.3	-178.4	-56.8	178.2	-174.5	-172.6	0	112.2	D319 F320 S324 R325 P326 D427 E430	D319-K322 HydrophobicContact CB-CB 4.17Å; D319-K322 HydrophobicContact CB-CD 4.04Å; D319-K322 HydrophobicContact CB-CG 4.13Å; D319-K322 CarbonylContact O-C 3.6Å; D319-K322 WeakPolarHBondContact O-CA 3.48Å; D319-K322 PolarHBondContact O-N 2.69Å; D319-K322 VanDerWaalsContact OD2-CE 3.29Å; D319-K322 WeakPolarHBondContact OD2-CE 3.43Å; F320-K322 PolarHBondContact O-N 3.23Å; K322-S324 PolarHBondContact O-N 2.86Å; K322-R325 HydrophobicContact CB-CB 4.36Å; K322-R325 HydrophobicContact CB-CG 4.09Å; K322-R325 WeakPolarHBondContact O-CB 3.36Å; K322-R325 PolarHBondContact O-N 3.21Å; K322-P326 WeakPolarHBondContact O-CD 3.49Å; K322-D427 PolarHBondContact NZ-O 2.85Å; K322-D427 IonicContact NZ-OD1 2.81Å; K322-D427 PolarHBondContact NZ-OD1 3.35Å; K322-D427 IonicContact NZ-OD2 3.52Å; K322-E430 WeakPolarHBondContact CE-OE1 3.37Å; K322-E430 IonicContact NZ-OE1 3.01Å; K322-E430 PolarHBondContact NZ-OE1 2.76Å; K322-E430 IonicContact NZ-OE2 2.72Å; K322-E430 PolarHBondContact NZ-OE2 3.41Å
323	F	96	Very high	97.7	Very high	135 Å²	135	37.2 Å²	37.2	59%	0.592	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52	-32.4	-171.4	-167.3	-88.3	0	0	0	114.9	V317 D319 F320 P326	V317-F323 HydrophobicContact CG1-CD2 4.18Å; V317-F323 HydrophobicContact CG2-CD2 3.81Å; V317-F323 HydrophobicContact CG2-CE2 3.75Å; D319-F323 PolarHBondContact O-N 3.4Å; F320-F323 HydrophobicContact CD1-CD2 4.4Å; F323-P326 WeakPolarHBondContact O-CD 3.44Å
324	S	96.2	Very high	97.7	Very high	88 Å²	88	37.9 Å²	37.9	62%	0.615	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83	-15.3	179.1	56.7	0	0	0	0	114.6	K322	K322-S324 PolarHBondContact O-N 2.86Å
325	R	98.1	Very high	97.8	Very high	58 Å²	58	34.5 Å²	34.5	22%	0.219	19%	0.187	C	C	.	.	H	α-helix	trans	-70.2	-35.9	-175.1	-65.8	-164.1	-178.5	169.2	4.3	115	K322 A327 Q328 L329 L382 D427 E430	K322-R325 HydrophobicContact CB-CB 4.36Å; K322-R325 HydrophobicContact CB-CG 4.09Å; K322-R325 WeakPolarHBondContact O-CB 3.36Å; K322-R325 PolarHBondContact O-N 3.21Å; R325-A327 VanDerWaalsContact C-N 3.26Å; R325-A327 PolarHBondContact O-N 2.94Å; R325-Q328 WeakPolarHBondContact O-CB 3.46Å; R325-Q328 PolarHBondContact O-N 2.92Å; R325-L329 HydrophobicContact CB-CD1 4.38Å; R325-L329 WeakPolarHBondContact O-CG 3.42Å; R325-L329 PolarHBondContact O-N 2.95Å; R325-L382 HydrophobicContact CB-CD2 4.27Å; R325-L382 HydrophobicContact CG-CD2 4.03Å; R325-D427 WeakPolarHBondContact CD-OD2 3.43Å; R325-D427 IonicContact CZ-OD2 3.63Å; R325-D427 IonicContact NE-OD2 2.89Å; R325-D427 IonicContact NH1-OD1 3.75Å; R325-D427 PolarHBondContact NH1-OD1 3.1Å; R325-D427 IonicContact NH1-OD2 2.97Å; R325-D427 PolarHBondContact NH1-OD2 2.77Å; R325-E430 IonicContact NH1-OE1 2.7Å
326	P	98.3	Very high	97.8	Very high	7 Å²	7	31.1 Å²	31.1	5%	0.045	17%	0.172	C	C	.	.	H	α-helix	trans	-52.3	-41.8	179.7	-30.4	36.3	0	0	0	113.9	F315 K322 F323 Q328 L329 H330 Y425	F315-P326 HydrophobicContact CB-CB 4.24Å; F315-P326 HydrophobicContact CD1-CB 3.74Å; F315-P326 HydrophobicContact CD2-CB 4.49Å; F315-P326 HydrophobicContact CE1-CB 4.2Å; F315-P326 HydrophobicContact CG-CB 3.91Å; K322-P326 WeakPolarHBondContact O-CD 3.49Å; F323-P326 WeakPolarHBondContact O-CD 3.44Å; P326-Q328 PolarHBondContact O-N 2.89Å; P326-L329 PolarHBondContact O-N 3.41Å; P326-H330 WeakPolarHBondContact O-CB 3.22Å; P326-H330 PolarHBondContact O-N 2.96Å; P326-Y425 HydrophobicContact CB-CD2 4.27Å
327	A	97.9	Very high	97.7	Very high	18 Å²	18	30.7 Å²	30.7	15%	0.149	17%	0.168	C	C	.	.	H	α-helix	trans	-64.6	-39.6	177	0	0	0	0	0	112.9	F315 R325 I331 Q375	F315-A327 HydrophobicContact CE2-CB 4.22Å; F315-A327 HydrophobicContact CZ-CB 4.37Å; R325-A327 VanDerWaalsContact C-N 3.26Å; R325-A327 PolarHBondContact O-N 2.94Å; A327-I331 PolarHBondContact O-N 2.9Å; A327-Q375 HydrophobicContact CB-CG 4.36Å
328	Q	98.3	Very high	97.7	Very high	15 Å²	15	32.3 Å²	32.3	7%	0.07	17%	0.174	C	C	.	.	H	α-helix	trans	-69.5	-44.2	178.1	-56.3	-67.5	-34	0	0	111.2	R325 P326 H330 I331 G332 N377 D379 L382	R325-Q328 WeakPolarHBondContact O-CB 3.46Å; R325-Q328 PolarHBondContact O-N 2.92Å; P326-Q328 PolarHBondContact O-N 2.89Å; Q328-H330 VanDerWaalsContact C-N 3.32Å; Q328-H330 PolarHBondContact O-N 2.84Å; Q328-I331 PolarHBondContact O-N 2.99Å; Q328-G332 PolarHBondContact O-N 3.42Å; Q328-N377 PolarHBondContact NE2-O 3.14Å; Q328-D379 HydrophobicContact CG-CB 4.3Å; Q328-L382 HydrophobicContact CB-CD2 3.77Å; Q328-L382 HydrophobicContact CG-CD2 4.45Å
329	L	98.5	Very high	97.7	Very high	2 Å²	2	32 Å²	32	1%	0.01	17%	0.172	C	C	.	.	H	α-helix	trans	-67.6	-33.1	178.8	-65.2	178.3	0	0	0	111.9	F195 R325 P326 I331 G332 F333 L382 Y425	F195-L329 HydrophobicContact CD1-CD1 4.28Å; F195-L329 HydrophobicContact CD1-CD2 3.66Å; F195-L329 HydrophobicContact CE1-CD2 3.62Å; R325-L329 HydrophobicContact CB-CD1 4.38Å; R325-L329 WeakPolarHBondContact O-CG 3.42Å; R325-L329 PolarHBondContact O-N 2.95Å; P326-L329 PolarHBondContact O-N 3.41Å; L329-I331 VanDerWaalsContact C-N 3.3Å; L329-I331 PolarHBondContact O-N 3.22Å; L329-G332 PolarHBondContact O-N 2.9Å; L329-G332 VanDerWaalsContact O-N 3.14Å; L329-F333 WeakPolarHBondContact O-CD2 3.32Å; L329-F333 PolarHBondContact O-N 2.86Å; L329-L382 HydrophobicContact CD2-CD1 4.19Å; L329-L382 HydrophobicContact CD2-CD2 4Å; L329-L382 HydrophobicContact CD2-CG 4.03Å; L329-L382 HydrophobicContact CG-CD2 4.3Å; L329-Y425 HydrophobicContact CB-CD1 3.59Å; L329-Y425 HydrophobicContact CB-CE1 4.24Å; L329-Y425 HydrophobicContact CB-CG 3.96Å
330	H	98.4	Very high	97.7	Very high	3 Å²	3	33.2 Å²	33.2	1%	0.014	18%	0.181	C	C	.	.	H	α-helix	trans	-56.7	-44.7	172.6	-171.9	69.8	0	0	0	112.3	L310 F315 P326 Q328 Q334 W423 Y425	L310-H330 PolarHBondContact O-NE2 3Å; L310-H330 VanDerWaalsContact O-NE2 3.09Å; F315-H330 HydrophobicContact CE1-CB 3.93Å; F315-H330 HydrophobicContact CZ-CB 4Å; P326-H330 WeakPolarHBondContact O-CB 3.22Å; P326-H330 PolarHBondContact O-N 2.96Å; Q328-H330 VanDerWaalsContact C-N 3.32Å; Q328-H330 PolarHBondContact O-N 2.84Å; H330-Q334 PolarHBondContact CD2-NE2 2.95Å; H330-Q334 PolarHBondContact NE2-NE2 3.45Å; H330-Q334 VanDerWaalsContact NE2-NE2 3.12Å; H330-Q334 WeakPolarHBondContact O-CG 3.42Å; H330-Q334 PolarHBondContact O-N 2.88Å; H330-W423 AromaticContact CE1-CE2 3.87Å; H330-Y425 VanDerWaalsContact CA-CZ 3.49Å; H330-Y425 WeakPolarHBondContact CA-OH 3.13Å; H330-Y425 HydrophobicContact CB-CE2 3.82Å; H330-Y425 AromaticContact ND1-CE2 3.73Å; H330-Y425 AromaticContact ND1-CZ 3.62Å; H330-Y425 PolarHBondContact ND1-OH 3.28Å
331	I	98.4	Very high	97.5	Very high	6 Å²	6	30.9 Å²	30.9	3%	0.031	18%	0.184	C	C	.	.	H	α-helix	trans	-67.6	-44.6	173.8	-60.7	166.7	0	0	0	110.3	A327 Q328 L329 F333 Q334 A335 A362 V365 N366 Q375 L378	A327-I331 PolarHBondContact O-N 2.9Å; Q328-I331 PolarHBondContact O-N 2.99Å; L329-I331 VanDerWaalsContact C-N 3.3Å; L329-I331 PolarHBondContact O-N 3.22Å; I331-F333 PolarHBondContact O-N 3.29Å; I331-Q334 PolarHBondContact O-N 3.26Å; I331-A335 WeakPolarHBondContact O-CB 3.45Å; I331-A335 PolarHBondContact O-N 3.49Å; I331-A362 HydrophobicContact CG2-CB 3.87Å; I331-A362 VanDerWaalsContact CG2-O 3.29Å; I331-A362 WeakPolarHBondContact CG2-O 3.36Å; I331-V365 HydrophobicContact CG2-CB 4.07Å; I331-V365 HydrophobicContact CG2-CG1 3.97Å; I331-N366 HydrophobicContact CD1-CB 4.07Å; I331-N366 HydrophobicContact CG2-CB 4.43Å; I331-Q375 HydrophobicContact CD1-CB 4.36Å; I331-Q375 HydrophobicContact CD1-CG 3.84Å; I331-L378 HydrophobicContact CD1-CD1 4.21Å; I331-L378 HydrophobicContact CG2-CD1 4.23Å
332	G	98.3	Very high	97.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-59.7	-43.3	-178.5	0	0	0	0	0	114.2	Q328 L329 A335 L336	Q328-G332 PolarHBondContact O-N 3.42Å; L329-G332 PolarHBondContact O-N 2.9Å; L329-G332 VanDerWaalsContact O-N 3.14Å; G332-A335 PolarHBondContact O-N 2.87Å; G332-L336 WeakPolarHBondContact O-CB 3.35Å; G332-L336 PolarHBondContact O-N 3.13Å
333	F	98.4	Very high	97.5	Very high	1 Å²	1	34.9 Å²	34.9	0%	0.004	19%	0.187	C	C	.	.	H	α-helix	trans	-69	-35.9	176.9	-88.6	-97.9	0	0	0	112.3	D190 R192 F195 Q197 L329 I331 L336 H337 L386 Y425	D190-F333 HydrophobicContact CB-CE1 4.19Å; R192-F333 HydrophobicContact CB-CE1 4.47Å; R192-F333 HydrophobicContact CB-CZ 4.46Å; R192-F333 HydrophobicContact CG-CE1 3.78Å; R192-F333 HydrophobicContact CG-CZ 4.25Å; F195-F333 HydrophobicContact CB-CE2 4.07Å; F195-F333 HydrophobicContact CB-CZ 3.97Å; Q197-F333 HydrophobicContact CB-CD1 4.41Å; Q197-F333 HydrophobicContact CB-CE1 4.24Å; Q197-F333 HydrophobicContact CB-CZ 4.29Å; Q197-F333 HydrophobicContact CG-CD1 3.76Å; Q197-F333 HydrophobicContact CG-CE1 3.71Å; Q197-F333 HydrophobicContact CG-CG 4.33Å; Q197-F333 HydrophobicContact CG-CZ 4.26Å; L329-F333 WeakPolarHBondContact O-CD2 3.32Å; L329-F333 PolarHBondContact O-N 2.86Å; I331-F333 PolarHBondContact O-N 3.29Å; F333-L336 PolarHBondContact O-N 2.83Å; F333-H337 PolarHBondContact O-N 2.96Å; F333-H337 PolarHBondContact O-ND1 3.22Å; F333-L386 HydrophobicContact CD2-CD2 4.45Å; F333-L386 HydrophobicContact CE2-CD1 4.34Å; F333-Y425 HydrophobicContact CB-CE1 4.39Å; F333-Y425 HydrophobicContact CD2-CD1 4.09Å; F333-Y425 AromaticContact CD2-CE1 3.79Å; F333-Y425 HydrophobicContact CD2-CE1 3.79Å; F333-Y425 HydrophobicContact CE2-CD1 4.24Å; F333-Y425 HydrophobicContact CE2-CE1 4.34Å; F333-Y425 HydrophobicContact CG-CE1 4.2Å
334	Q	98.3	Very high	97.4	Very high	32 Å²	32	31.9 Å²	31.9	15%	0.15	20%	0.195	C	C	.	.	H	α-helix	trans	-63.6	-46.1	172	-71.9	-174.7	56.1	0	0	111.7	L310 H330 I331 L336 H337 Q338 V365	L310-Q334 HydrophobicContact CD1-CG 3.76Å; L310-Q334 HydrophobicContact CG-CG 4.41Å; H330-Q334 PolarHBondContact CD2-NE2 2.95Å; H330-Q334 PolarHBondContact NE2-NE2 3.45Å; H330-Q334 VanDerWaalsContact NE2-NE2 3.12Å; H330-Q334 WeakPolarHBondContact O-CG 3.42Å; H330-Q334 PolarHBondContact O-N 2.88Å; I331-Q334 PolarHBondContact O-N 3.26Å; Q334-L336 VanDerWaalsContact C-N 3.27Å; Q334-L336 PolarHBondContact O-N 2.67Å; Q334-H337 PolarHBondContact O-N 3Å; Q334-Q338 PolarHBondContact O-N 3.14Å; Q334-V365 HydrophobicContact CB-CG1 4.15Å
335	A	98.3	Very high	97.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-59.9	-39	174.7	0	0	0	0	0	111.6	I331 G332 H337 Q338 F339 L358 L361 A362	I331-A335 WeakPolarHBondContact O-CB 3.45Å; I331-A335 PolarHBondContact O-N 3.49Å; G332-A335 PolarHBondContact O-N 2.87Å; A335-H337 PolarHBondContact O-N 3.11Å; A335-Q338 PolarHBondContact O-N 3.29Å; A335-F339 PolarHBondContact O-N 3.29Å; A335-L358 HydrophobicContact CB-CD1 3.97Å; A335-L358 HydrophobicContact CB-CG 4.42Å; A335-L361 HydrophobicContact CB-CB 3.91Å; A335-A362 HydrophobicContact CB-CB 4.01Å
336	L	98.3	Very high	97.2	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-64.6	-40	177.4	-178.1	64.9	0	0	0	112.2	R192 G332 F333 Q334 F339 C340 P347 L358 A390	R192-L336 HydrophobicContact CB-CD2 4.37Å; R192-L336 HydrophobicContact CG-CD2 3.62Å; G332-L336 WeakPolarHBondContact O-CB 3.35Å; G332-L336 PolarHBondContact O-N 3.13Å; F333-L336 PolarHBondContact O-N 2.83Å; Q334-L336 VanDerWaalsContact C-N 3.27Å; Q334-L336 PolarHBondContact O-N 2.67Å; L336-F339 PolarHBondContact O-N 3.35Å; L336-C340 PolarHBondContact O-N 3.25Å; L336-C340 PolarHBondContact O-SG 3.4Å; L336-C340 VanDerWaalsContact O-SG 3.35Å; L336-P347 HydrophobicContact CD1-CG 3.73Å; L336-L358 HydrophobicContact CB-CD1 4.26Å; L336-L358 HydrophobicContact CD1-CD1 4.43Å; L336-A390 HydrophobicContact CD1-CB 3.79Å; L336-A390 HydrophobicContact CD2-CB 4.45Å
337	H	97.3	Very high	97.2	Very high	16 Å²	16	30.7 Å²	30.7	7%	0.074	18%	0.182	C	C	.	.	H	α-helix	trans	-64.4	-40.3	172.9	-70	151.2	0	0	0	112.1	L169 D190 F333 Q334 A335 C340 A341	L169-H337 HydrophobicContact CB-CB 3.76Å; L169-H337 HydrophobicContact CD2-CB 4.29Å; D190-H337 IonicContact OD2-CE1 4Å; D190-H337 IonicContact OD2-NE2 2.97Å; F333-H337 PolarHBondContact O-N 2.96Å; F333-H337 PolarHBondContact O-ND1 3.22Å; Q334-H337 PolarHBondContact O-N 3Å; A335-H337 PolarHBondContact O-N 3.11Å; H337-C340 PolarHBondContact O-N 3.25Å; H337-A341 PolarHBondContact O-N 3.33Å
338	Q	97.5	Very high	97.2	Very high	58 Å²	58	34.7 Å²	34.7	27%	0.271	19%	0.193	S	C	.	.	H	α-helix	trans	-64.2	-41.6	174.6	-69.5	-178.7	17.7	0	0	112.2	Q334 A335 C340 A341 Q342 L361 V365	Q334-Q338 PolarHBondContact O-N 3.14Å; A335-Q338 PolarHBondContact O-N 3.29Å; Q338-C340 PolarHBondContact O-N 3.03Å; Q338-A341 PolarHBondContact O-N 2.89Å; Q338-Q342 WeakPolarHBondContact O-CG 3.4Å; Q338-Q342 PolarHBondContact O-N 3.26Å; Q338-L361 HydrophobicContact CB-CD1 4.39Å; Q338-V365 VanDerWaalsContact NE2-CG2 3.33Å
339	F	98.4	Very high	97.1	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-58.5	-48.6	174.8	-174.5	-78.8	0	0	0	110.9	A335 L336 A341 Q342 H343 R345 P347 D354 E357 L358 L361	A335-F339 PolarHBondContact O-N 3.29Å; L336-F339 PolarHBondContact O-N 3.35Å; F339-A341 VanDerWaalsContact C-N 3.29Å; F339-A341 PolarHBondContact O-N 2.84Å; F339-Q342 PolarHBondContact O-N 2.79Å; F339-Q342 VanDerWaalsContact O-N 3.17Å; F339-H343 AromaticContact CD1-CD2 3.96Å; F339-H343 AromaticContact CD2-CD2 3.91Å; F339-H343 HydrophobicContact CE1-CB 4.17Å; F339-H343 AromaticContact CE1-CD2 3.69Å; F339-H343 AromaticContact CE2-CD2 3.64Å; F339-H343 AromaticContact CE2-NE2 3.87Å; F339-H343 AromaticContact CZ-CD2 3.52Å; F339-H343 PolarHBondContact O-N 2.9Å; F339-R345 WeakPolarHBondContact CD1-O 3.45Å; F339-P347 HydrophobicContact CD1-CG 3.7Å; F339-P347 HydrophobicContact CD2-CG 4.35Å; F339-P347 HydrophobicContact CE1-CB 4.25Å; F339-P347 HydrophobicContact CE1-CG 3.78Å; F339-P347 HydrophobicContact CE2-CG 4.39Å; F339-P347 HydrophobicContact CG-CG 4.01Å; F339-P347 HydrophobicContact CZ-CB 4.35Å; F339-P347 HydrophobicContact CZ-CG 4.13Å; F339-D354 HydrophobicContact CE2-CB 4.18Å; F339-D354 HydrophobicContact CZ-CB 3.98Å; F339-E357 HydrophobicContact CD2-CG 4.15Å; F339-E357 HydrophobicContact CE2-CB 4.22Å; F339-E357 HydrophobicContact CE2-CG 4.1Å; F339-E357 WeakPolarHBondContact CE2-OE2 3.33Å; F339-L358 HydrophobicContact CB-CD1 4.06Å; F339-L361 HydrophobicContact CB-CD1 3.83Å; F339-L361 HydrophobicContact CD2-CD1 4.21Å
340	C	95.8	Very high	97	Very high	33 Å²	33	38 Å²	38	22%	0.223	21%	0.209	C	C	.	.	H	α-helix	trans	-61	-37.4	177.5	-72.9	0	0	0	0	112.3	L336 H337 Q338 G344	L336-C340 PolarHBondContact O-N 3.25Å; L336-C340 PolarHBondContact O-SG 3.4Å; L336-C340 VanDerWaalsContact O-SG 3.35Å; H337-C340 PolarHBondContact O-N 3.25Å; Q338-C340 PolarHBondContact O-N 3.03Å; C340-G344 VanDerWaalsContact O-CA 3.23Å; C340-G344 WeakPolarHBondContact O-CA 3.23Å; C340-G344 PolarHBondContact O-N 3.01Å
341	A	93.6	Very high	96.9	Very high	69 Å²	69	38.3 Å²	38.3	57%	0.57	21%	0.211	S	C	*	.	H	α-helix	trans	-67.9	-36.5	175.9	0	0	0	0	0	112.4	H337 Q338 F339	H337-A341 PolarHBondContact O-N 3.33Å; Q338-A341 PolarHBondContact O-N 2.89Å; F339-A341 VanDerWaalsContact C-N 3.29Å; F339-A341 PolarHBondContact O-N 2.84Å
342	Q	96.3	Very high	96.8	Very high	111 Å²	111	42.3 Å²	42.3	52%	0.519	23%	0.23	S	C	.	.	H	α-helix	trans	-73.4	-39.8	179.3	-72.4	171.9	4.1	0	0	112.8	Q338 F339	Q338-Q342 WeakPolarHBondContact O-CG 3.4Å; Q338-Q342 PolarHBondContact O-N 3.26Å; F339-Q342 PolarHBondContact O-N 2.79Å; F339-Q342 VanDerWaalsContact O-N 3.17Å
343	H	97.2	Very high	96.8	Very high	80 Å²	80	49.1 Å²	49.1	37%	0.37	26%	0.261	S	S	.	.	H	α-helix	trans	-107.1	-13.2	-172.3	-68.3	-74.2	0	0	0	115.1	F339 R345 E357	F339-H343 AromaticContact CD1-CD2 3.96Å; F339-H343 AromaticContact CD2-CD2 3.91Å; F339-H343 HydrophobicContact CE1-CB 4.17Å; F339-H343 AromaticContact CE1-CD2 3.69Å; F339-H343 AromaticContact CE2-CD2 3.64Å; F339-H343 AromaticContact CE2-NE2 3.87Å; F339-H343 AromaticContact CZ-CD2 3.52Å; F339-H343 PolarHBondContact O-N 2.9Å; H343-R345 HydrophobicContact CB-CG 3.85Å; H343-R345 PolarHBondContact O-N 3.22Å; H343-E357 IonicContact CD2-OE1 3.01Å; H343-E357 IonicContact CE1-OE1 3.02Å; H343-E357 IonicContact CE1-OE2 3.47Å; H343-E357 IonicContact NE2-OE1 3.2Å; H343-E357 PolarHBondContact NE2-OE1 2.99Å; H343-E357 IonicContact NE2-OE2 2.81Å; H343-E357 PolarHBondContact NE2-OE2 3.19Å
344	G	93.2	Very high	96.8	Very high	73 Å²	73	49.2 Å²	49.2	75%	0.753	26%	0.262	S	S	*	.	S	Bend	trans	67.9	13.5	-173.2	0	0	0	0	0	114.1	C340	C340-G344 VanDerWaalsContact O-CA 3.23Å; C340-G344 WeakPolarHBondContact O-CA 3.23Å; C340-G344 PolarHBondContact O-N 3.01Å
345	R	94.6	Very high	96.8	Very high	78 Å²	78	47.7 Å²	47.7	29%	0.294	26%	0.255	S	S	.	.	S	Bend	trans	-147.6	155.4	-179.7	61.9	171	-173.7	82.3	-4.1	110.9	F339 H343 D354	F339-R345 WeakPolarHBondContact CD1-O 3.45Å; H343-R345 HydrophobicContact CB-CG 3.85Å; H343-R345 PolarHBondContact O-N 3.22Å; R345-D354 IonicContact CZ-OD2 3.77Å; R345-D354 VanDerWaalsContact CZ-OD2 3.3Å; R345-D354 IonicContact NH1-OD2 3.36Å; R345-D354 PolarHBondContact NH1-OD2 2.72Å; R345-D354 IonicContact NH2-OD1 2.74Å; R345-D354 PolarHBondContact NH2-OD1 3.49Å; R345-D354 IonicContact NH2-OD2 3.93Å; R345-D354 PolarHBondContact NH2-OD2 2.89Å
346	P	96.1	Very high	96.8	Very high	49 Å²	49	50.5 Å²	50.5	32%	0.318	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-66.1	161	164	28.8	-33.7	0	0	0	111.4	A391	P346-A391 HydrophobicContact CB-CB 4.46Å; P346-A391 HydrophobicContact CG-CB 4.15Å
347	P	98	Very high	96.8	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-50.2	141.2	167.3	-28.6	36.2	0	0	0	112	L336 F339 D354 A387 A390	L336-P347 HydrophobicContact CD1-CG 3.73Å; F339-P347 HydrophobicContact CD1-CG 3.7Å; F339-P347 HydrophobicContact CD2-CG 4.35Å; F339-P347 HydrophobicContact CE1-CB 4.25Å; F339-P347 HydrophobicContact CE1-CG 3.78Å; F339-P347 HydrophobicContact CE2-CG 4.39Å; F339-P347 HydrophobicContact CG-CG 4.01Å; F339-P347 HydrophobicContact CZ-CB 4.35Å; F339-P347 HydrophobicContact CZ-CG 4.13Å; P347-D354 HydrophobicContact CB-CB 4.06Å; P347-A387 HydrophobicContact CB-CB 4.26Å; P347-A390 HydrophobicContact CB-CB 4.16Å; P347-A390 HydrophobicContact CG-CB 4.02Å
348	R	97.7	Very high	96.9	Very high	103 Å²	103	52.6 Å²	52.6	39%	0.389	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-68.6	142.1	177.9	-74.3	169.4	-66.8	170.5	-1.4	110	R350 N351 E353 D354	R348-R350 PolarHBondContact O-N 3.05Å; R348-N351 HydrophobicContact CB-CB 3.71Å; R348-N351 PolarHBondContact NH2-OD1 3.4Å; R348-N351 PolarHBondContact O-N 3.4Å; R348-E353 IonicContact NH2-OE2 2.7Å; R348-D354 WeakPolarHBondContact CB-OD2 3.38Å; R348-D354 IonicContact CZ-OD1 2.63Å; R348-D354 PolarHBondContact N-OD2 3.37Å; R348-D354 IonicContact NE-OD1 3.72Å; R348-D354 PolarHBondContact NE-OD1 3.37Å; R348-D354 IonicContact NE-OD2 2.68Å; R348-D354 PolarHBondContact NE-OD2 3.17Å; R348-D354 IonicContact NH2-OD1 3.69Å; R348-D354 PolarHBondContact NH2-OD1 2.96Å
349	P	96.9	Very high	96.9	Very high	32 Å²	32	50.3 Å²	50.3	21%	0.208	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	129	177.7	-26.7	34.4	0	0	0	112.2	N351 Y388 A391 C444 A456	P349-N351 PolarHBondContact O-N 2.91Å; P349-Y388 WeakPolarHBondContact CA-O 3.25Å; P349-A391 HydrophobicContact CG-CB 4.16Å; P349-C444 HydrophobicContact CB-CB 3.68Å; P349-A456 HydrophobicContact CB-CB 4.29Å; P349-A456 HydrophobicContact CG-CB 3.85Å
350	R	95.5	Very high	96.9	Very high	54 Å²	54	52.8 Å²	52.8	20%	0.204	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.2	10.3	177.8	-60.7	-69.9	-75.6	171.4	-2.7	116.7	R348 E352 Y388 L439 E441 C444	R348-R350 PolarHBondContact O-N 3.05Å; R350-E352 PolarHBondContact O-N 2.85Å; R350-Y388 PolarHBondContact N-O 2.89Å; R350-Y388 VanDerWaalsContact N-O 3.17Å; R350-L439 VanDerWaalsContact CD-CD2 3.5Å; R350-L439 HydrophobicContact CG-CD2 4.18Å; R350-L439 HydrophobicContact CG-CG 4.06Å; R350-L439 VanDerWaalsContact CZ-O 3.27Å; R350-L439 PolarHBondContact NE-O 3.37Å; R350-L439 PolarHBondContact NH2-O 3.12Å; R350-E441 HydrophobicContact CB-CG 4.05Å; R350-C444 HydrophobicContact CG-CB 4.29Å
351	N	97	Very high	97	Very high	10 Å²	10	52.1 Å²	52.1	5%	0.053	29%	0.292	C	S	.	.			trans	-78	127.6	-173.7	-176.4	-102.9	0	0	0	113.4	R348 P349 E353 D354 A355 E441	R348-N351 HydrophobicContact CB-CB 3.71Å; R348-N351 PolarHBondContact NH2-OD1 3.4Å; R348-N351 PolarHBondContact O-N 3.4Å; P349-N351 PolarHBondContact O-N 2.91Å; N351-E353 PolarHBondContact OD1-N 3.45Å; N351-D354 HydrophobicContact CB-CB 4.27Å; N351-D354 WeakPolarHBondContact OD1-CB 3.37Å; N351-D354 PolarHBondContact OD1-N 3.33Å; N351-D354 PolarHBondContact OD1-OD1 3.09Å; N351-A355 VanDerWaalsContact O-CB 3.23Å; N351-A355 WeakPolarHBondContact O-CB 3.38Å; N351-A355 PolarHBondContact O-N 2.83Å; N351-A355 VanDerWaalsContact O-N 3.1Å; N351-E441 VanDerWaalsContact CA-OE1 3.26Å; N351-E441 WeakPolarHBondContact CA-OE1 3.17Å; N351-E441 PolarHBondContact ND2-OE1 2.94Å
352	E	96.5	Very high	97.3	Very high	90 Å²	90	48.9 Å²	48.9	42%	0.421	27%	0.265	S	S	.	.	H	α-helix	trans	-69.6	-40.2	-175.9	-72.6	-61.1	143.2	0	0	113.4	R350 A355 A356 R384 Y388	R350-E352 PolarHBondContact O-N 2.85Å; E352-A355 PolarHBondContact O-N 3.12Å; E352-A356 WeakPolarHBondContact O-CB 3.38Å; E352-A356 PolarHBondContact O-N 3.36Å; E352-R384 IonicContact OE1-NH2 3.96Å; E352-R384 IonicContact OE2-CZ 2.78Å; E352-R384 IonicContact OE2-NH2 2.81Å; E352-R384 PolarHBondContact OE2-NH2 3.42Å; E352-Y388 VanDerWaalsContact CD-OH 3.3Å; E352-Y388 PolarHBondContact OE1-OH 2.74Å; E352-Y388 PolarHBondContact OE2-OH 3.4Å
353	E	97.8	Very high	97.4	Very high	142 Å²	142	47.9 Å²	47.9	66%	0.664	26%	0.261	S	S	*	.	H	α-helix	trans	-67.4	-49.9	-179.7	-65.5	-179.4	163.6	0	0	111.1	R348 N351 A355 A356 E357	R348-E353 IonicContact NH2-OE2 2.7Å; N351-E353 PolarHBondContact OD1-N 3.45Å; E353-A355 PolarHBondContact O-N 2.85Å; E353-A356 PolarHBondContact O-N 3.08Å; E353-E357 PolarHBondContact O-N 3.05Å
354	D	98.3	Very high	97.4	Very high	4 Å²	4	45.7 Å²	45.7	2%	0.021	26%	0.257	C	S	.	.	H	α-helix	trans	-61.5	-34.8	177.5	-70.3	12.9	0	0	0	111.1	F339 R345 P347 R348 N351 L358	F339-D354 HydrophobicContact CE2-CB 4.18Å; F339-D354 HydrophobicContact CZ-CB 3.98Å; R345-D354 IonicContact CZ-OD2 3.77Å; R345-D354 VanDerWaalsContact CZ-OD2 3.3Å; R345-D354 IonicContact NH1-OD2 3.36Å; R345-D354 PolarHBondContact NH1-OD2 2.72Å; R345-D354 IonicContact NH2-OD1 2.74Å; R345-D354 PolarHBondContact NH2-OD1 3.49Å; R345-D354 IonicContact NH2-OD2 3.93Å; R345-D354 PolarHBondContact NH2-OD2 2.89Å; P347-D354 HydrophobicContact CB-CB 4.06Å; R348-D354 WeakPolarHBondContact CB-OD2 3.38Å; R348-D354 IonicContact CZ-OD1 2.63Å; R348-D354 PolarHBondContact N-OD2 3.37Å; R348-D354 IonicContact NE-OD1 3.72Å; R348-D354 PolarHBondContact NE-OD1 3.37Å; R348-D354 IonicContact NE-OD2 2.68Å; R348-D354 PolarHBondContact NE-OD2 3.17Å; R348-D354 IonicContact NH2-OD1 3.69Å; R348-D354 PolarHBondContact NH2-OD1 2.96Å; N351-D354 HydrophobicContact CB-CB 4.27Å; N351-D354 WeakPolarHBondContact OD1-CB 3.37Å; N351-D354 PolarHBondContact OD1-N 3.33Å; N351-D354 PolarHBondContact OD1-OD1 3.09Å; D354-L358 PolarHBondContact O-N 3.14Å
355	A	98.1	Very high	97.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-69	-42.9	176.1	0	0	0	0	0	112.6	N351 E352 E353 E357 L358 V359 R384 A387 Y388	N351-A355 VanDerWaalsContact O-CB 3.23Å; N351-A355 WeakPolarHBondContact O-CB 3.38Å; N351-A355 PolarHBondContact O-N 2.83Å; N351-A355 VanDerWaalsContact O-N 3.1Å; E352-A355 PolarHBondContact O-N 3.12Å; E353-A355 PolarHBondContact O-N 2.85Å; A355-E357 VanDerWaalsContact C-N 3.3Å; A355-E357 PolarHBondContact O-N 3.39Å; A355-L358 PolarHBondContact O-N 3.48Å; A355-V359 WeakPolarHBondContact O-CG2 3.47Å; A355-V359 PolarHBondContact O-N 3.13Å; A355-V359 VanDerWaalsContact O-N 3.08Å; A355-R384 HydrophobicContact CB-CB 4.32Å; A355-R384 HydrophobicContact CB-CG 4.2Å; A355-A387 HydrophobicContact CB-CB 3.76Å; A355-Y388 HydrophobicContact CB-CD1 3.99Å; A355-Y388 HydrophobicContact CB-CE1 3.48Å; A355-Y388 VanDerWaalsContact CB-CE1 3.48Å
356	A	98.4	Very high	97.7	Very high	59 Å²	59	39.8 Å²	39.8	49%	0.488	21%	0.214	S	C	.	.	H	α-helix	trans	-63.1	-38.4	174.5	0	0	0	0	0	111.7	E352 E353 V359 A360	E352-A356 WeakPolarHBondContact O-CB 3.38Å; E352-A356 PolarHBondContact O-N 3.36Å; E353-A356 PolarHBondContact O-N 3.08Å; A356-V359 PolarHBondContact O-N 3.31Å; A356-A360 PolarHBondContact O-N 3.01Å
357	E	98.5	Very high	97.8	Very high	59 Å²	59	40.8 Å²	40.8	28%	0.276	23%	0.226	S	C	.	.	H	α-helix	trans	-63.4	-43.7	174.3	-175.3	173.9	179.9	0	0	111.8	F339 H343 E353 A355 V359 A360 L361	F339-E357 HydrophobicContact CD2-CG 4.15Å; F339-E357 HydrophobicContact CE2-CB 4.22Å; F339-E357 HydrophobicContact CE2-CG 4.1Å; F339-E357 WeakPolarHBondContact CE2-OE2 3.33Å; H343-E357 IonicContact CD2-OE1 3.01Å; H343-E357 IonicContact CE1-OE1 3.02Å; H343-E357 IonicContact CE1-OE2 3.47Å; H343-E357 IonicContact NE2-OE1 3.2Å; H343-E357 PolarHBondContact NE2-OE1 2.99Å; H343-E357 IonicContact NE2-OE2 2.81Å; H343-E357 PolarHBondContact NE2-OE2 3.19Å; E353-E357 PolarHBondContact O-N 3.05Å; A355-E357 VanDerWaalsContact C-N 3.3Å; A355-E357 PolarHBondContact O-N 3.39Å; E357-V359 VanDerWaalsContact C-N 3.29Å; E357-V359 PolarHBondContact O-N 3.4Å; E357-A360 WeakPolarHBondContact O-CB 3.42Å; E357-A360 PolarHBondContact O-N 3.16Å; E357-A360 VanDerWaalsContact O-N 3.14Å; E357-L361 WeakPolarHBondContact O-CG 3.41Å; E357-L361 PolarHBondContact O-N 2.58Å
358	L	98.6	Very high	97.7	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-61.8	-38.5	176.9	-164.7	72.4	0	0	0	112	A335 L336 F339 D354 A355 L361 A362 I383 L386 A387	A335-L358 HydrophobicContact CB-CD1 3.97Å; A335-L358 HydrophobicContact CB-CG 4.42Å; L336-L358 HydrophobicContact CB-CD1 4.26Å; L336-L358 HydrophobicContact CD1-CD1 4.43Å; F339-L358 HydrophobicContact CB-CD1 4.06Å; D354-L358 PolarHBondContact O-N 3.14Å; A355-L358 PolarHBondContact O-N 3.48Å; L358-L361 PolarHBondContact O-N 2.96Å; L358-A362 WeakPolarHBondContact O-CB 3.27Å; L358-A362 PolarHBondContact O-N 3.45Å; L358-I383 HydrophobicContact CB-CG2 4.39Å; L358-I383 HydrophobicContact CD2-CG2 3.97Å; L358-I383 HydrophobicContact CG-CG2 3.97Å; L358-L386 HydrophobicContact CD2-CD2 4.41Å; L358-L386 HydrophobicContact CD2-CG 4.34Å; L358-A387 HydrophobicContact CB-CB 4.13Å; L358-A387 HydrophobicContact CD2-CB 3.62Å
359	V	98.6	Very high	97.5	Very high	10 Å²	10	46.7 Å²	46.7	6%	0.061	26%	0.255	C	S	.	.	H	α-helix	trans	-61	-45.6	173.3	172.3	0	0	0	0	110.9	A355 A356 E357 L361 A362 Q363 E380 I383 R384	A355-V359 WeakPolarHBondContact O-CG2 3.47Å; A355-V359 PolarHBondContact O-N 3.13Å; A355-V359 VanDerWaalsContact O-N 3.08Å; A356-V359 PolarHBondContact O-N 3.31Å; E357-V359 VanDerWaalsContact C-N 3.29Å; E357-V359 PolarHBondContact O-N 3.4Å; V359-L361 PolarHBondContact O-N 2.74Å; V359-A362 PolarHBondContact O-N 2.9Å; V359-Q363 WeakPolarHBondContact O-CG 3.31Å; V359-Q363 PolarHBondContact O-N 3Å; V359-E380 HydrophobicContact CG1-CB 4.34Å; V359-E380 HydrophobicContact CG1-CG 3.87Å; V359-E380 HydrophobicContact CG2-CB 4.46Å; V359-I383 HydrophobicContact CG2-CB 4.19Å; V359-I383 HydrophobicContact CG2-CG2 4Å; V359-R384 HydrophobicContact CG2-CG 3.66Å
360	A	98.4	Very high	97.4	Very high	52 Å²	52	49.1 Å²	49.1	43%	0.43	27%	0.266	S	S	.	.	H	α-helix	trans	-62.3	-41.4	177.7	0	0	0	0	0	112.4	A356 E357 Q363 A364	A356-A360 PolarHBondContact O-N 3.01Å; E357-A360 WeakPolarHBondContact O-CB 3.42Å; E357-A360 PolarHBondContact O-N 3.16Å; E357-A360 VanDerWaalsContact O-N 3.14Å; A360-Q363 PolarHBondContact O-N 3.03Å; A360-A364 PolarHBondContact O-N 3.13Å
361	L	98.5	Very high	97.2	Very high	20 Å²	20	52 Å²	52	11%	0.105	29%	0.292	C	S	.	.	H	α-helix	trans	-63.2	-42.9	173.8	-68.2	175.9	0	0	0	111.5	A335 Q338 F339 E357 L358 V359 Q363 A364 V365	A335-L361 HydrophobicContact CB-CB 3.91Å; Q338-L361 HydrophobicContact CB-CD1 4.39Å; F339-L361 HydrophobicContact CB-CD1 3.83Å; F339-L361 HydrophobicContact CD2-CD1 4.21Å; E357-L361 WeakPolarHBondContact O-CG 3.41Å; E357-L361 PolarHBondContact O-N 2.58Å; L358-L361 PolarHBondContact O-N 2.96Å; V359-L361 PolarHBondContact O-N 2.74Å; L361-Q363 PolarHBondContact O-N 3.42Å; L361-A364 PolarHBondContact O-N 3.48Å; L361-V365 WeakPolarHBondContact O-CG2 3.45Å; L361-V365 PolarHBondContact O-N 3.46Å
362	A	98.5	Very high	96.9	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-62.8	-41.1	177	0	0	0	0	0	112.1	I331 A335 L358 V359 A364 V365 N366 L378 I383	I331-A362 HydrophobicContact CG2-CB 3.87Å; I331-A362 VanDerWaalsContact CG2-O 3.29Å; I331-A362 WeakPolarHBondContact CG2-O 3.36Å; A335-A362 HydrophobicContact CB-CB 4.01Å; L358-A362 WeakPolarHBondContact O-CB 3.27Å; L358-A362 PolarHBondContact O-N 3.45Å; V359-A362 PolarHBondContact O-N 2.9Å; A362-A364 VanDerWaalsContact C-N 3.33Å; A362-A364 PolarHBondContact O-N 2.67Å; A362-V365 PolarHBondContact O-N 2.97Å; A362-N366 VanDerWaalsContact O-CB 3.29Å; A362-N366 WeakPolarHBondContact O-CB 3.46Å; A362-N366 PolarHBondContact O-N 2.8Å; A362-L378 HydrophobicContact CB-CD1 4.45Å; A362-L378 HydrophobicContact CB-CD2 3.88Å; A362-I383 HydrophobicContact CB-CG1 4.37Å; A362-I383 HydrophobicContact CB-CG2 4.11Å
363	Q	98.1	Very high	96.7	Very high	90 Å²	90	53.3 Å²	53.3	42%	0.421	32%	0.316	S	S	.	.	H	α-helix	trans	-60.2	-42.3	172.6	-70.7	173.7	-5.5	0	0	111.5	V359 A360 L361 N366 A367 L378 E380	V359-Q363 WeakPolarHBondContact O-CG 3.31Å; V359-Q363 PolarHBondContact O-N 3Å; A360-Q363 PolarHBondContact O-N 3.03Å; L361-Q363 PolarHBondContact O-N 3.42Å; Q363-N366 PolarHBondContact O-N 2.86Å; Q363-A367 WeakPolarHBondContact O-CB 3.39Å; Q363-A367 PolarHBondContact O-N 3.04Å; Q363-L378 HydrophobicContact CB-CD2 4.4Å; Q363-L378 HydrophobicContact CG-CD2 3.58Å; Q363-E380 PolarHBondContact NE2-OE1 3.35Å; Q363-E380 VanDerWaalsContact NE2-OE1 3.09Å
364	A	97.8	Very high	96.6	Very high	35 Å²	35	50.5 Å²	50.5	29%	0.289	30%	0.303	S	S	.	.	H	α-helix	trans	-67.5	-40	177.9	0	0	0	0	0	112.9	A360 L361 A362 R368	A360-A364 PolarHBondContact O-N 3.13Å; L361-A364 PolarHBondContact O-N 3.48Å; A362-A364 VanDerWaalsContact C-N 3.33Å; A362-A364 PolarHBondContact O-N 2.67Å; A364-R368 VanDerWaalsContact O-CG 3.29Å; A364-R368 WeakPolarHBondContact O-CG 3.29Å; A364-R368 PolarHBondContact O-N 3.18Å
365	V	97.3	Very high	96.4	Very high	11 Å²	11	53 Å²	53	7%	0.067	32%	0.315	C	S	.	.	H	α-helix	trans	-62.5	-47.9	173.5	171	0	0	0	0	110.2	I331 Q334 Q338 L361 A362 A367 R368 A369	I331-V365 HydrophobicContact CG2-CB 4.07Å; I331-V365 HydrophobicContact CG2-CG1 3.97Å; Q334-V365 HydrophobicContact CB-CG1 4.15Å; Q338-V365 VanDerWaalsContact NE2-CG2 3.33Å; L361-V365 WeakPolarHBondContact O-CG2 3.45Å; L361-V365 PolarHBondContact O-N 3.46Å; A362-V365 PolarHBondContact O-N 2.97Å; V365-A367 VanDerWaalsContact C-N 3.34Å; V365-A367 PolarHBondContact O-N 2.9Å; V365-R368 PolarHBondContact O-N 3.09Å; V365-R368 VanDerWaalsContact O-N 3.1Å; V365-A369 PolarHBondContact O-N 3.5Å; V365-A369 VanDerWaalsContact O-N 3.07Å
366	N	97.5	Very high	96.1	Very high	15 Å²	15	60.4 Å²	60.4	8%	0.08	35%	0.354	C	S	.	.	H	α-helix	trans	-59.2	-43	179.2	-171.1	40.4	0	0	0	112.2	I331 A362 Q363 R368 A369 Q374 Q375	I331-N366 HydrophobicContact CD1-CB 4.07Å; I331-N366 HydrophobicContact CG2-CB 4.43Å; A362-N366 VanDerWaalsContact O-CB 3.29Å; A362-N366 WeakPolarHBondContact O-CB 3.46Å; A362-N366 PolarHBondContact O-N 2.8Å; Q363-N366 PolarHBondContact O-N 2.86Å; N366-R368 PolarHBondContact O-N 3.47Å; N366-A369 WeakPolarHBondContact O-CB 3.48Å; N366-A369 PolarHBondContact O-N 2.97Å; N366-Q374 WeakPolarHBondContact O-CG 3.23Å; N366-Q374 WeakPolarHBondContact OD1-CA 3.28Å; N366-Q375 PolarHBondContact ND2-O 3.01Å; N366-Q375 PolarHBondContact OD1-N 3Å
367	A	97.1	Very high	95.9	Very high	70 Å²	70	64.1 Å²	64.1	58%	0.579	37%	0.366	S	S	*	.	H	α-helix	trans	-67.9	-21.2	178.2	0	0	0	0	0	114.1	Q363 V365	Q363-A367 WeakPolarHBondContact O-CB 3.39Å; Q363-A367 PolarHBondContact O-N 3.04Å; V365-A367 VanDerWaalsContact C-N 3.34Å; V365-A367 PolarHBondContact O-N 2.9Å
368	R	95.8	Very high	95.8	Very high	197 Å²	197	62.7 Å²	62.7	74%	0.743	36%	0.36	S	S	*	.	H	α-helix	trans	-93.8	-13.7	176.9	-68.5	173.1	-172.5	175	4.9	113.2	A364 V365 N366	A364-R368 VanDerWaalsContact O-CG 3.29Å; A364-R368 WeakPolarHBondContact O-CG 3.29Å; A364-R368 PolarHBondContact O-N 3.18Å; V365-R368 PolarHBondContact O-N 3.09Å; V365-R368 VanDerWaalsContact O-N 3.1Å; N366-R368 PolarHBondContact O-N 3.47Å
369	A	94.5	Very high	95.7	Very high	30 Å²	30	66 Å²	66	25%	0.248	38%	0.378	C	S	.	.	S	Bend	trans	-64.1	159.3	178.1	0	0	0	0	0	111	V365 N366 V373	V365-A369 PolarHBondContact O-N 3.5Å; V365-A369 VanDerWaalsContact O-N 3.07Å; N366-A369 WeakPolarHBondContact O-CB 3.48Å; N366-A369 PolarHBondContact O-N 2.97Å; A369-V373 HydrophobicContact CB-CB 4.48Å; A369-V373 HydrophobicContact CB-CG1 4.5Å
370	L	94.5	Very high	95.7	Very high	83 Å²	83	70.1 Å²	70.1	44%	0.435	40%	0.396	S	S	.	.			trans	-60.7	148.5	173.3	-64.8	176.4	0	0	0	110.3	A311 E312 A372 V373 Q374	A311-L370 HydrophobicContact CB-CD1 4.48Å; E312-L370 HydrophobicContact CG-CD1 3.71Å; L370-A372 PolarHBondContact O-N 3.38Å; L370-V373 PolarHBondContact O-N 2.93Å; L370-Q374 PolarHBondContact O-N 2.91Å
371	P	92.1	Very high	95.6	Very high	116 Å²	116	72.4 Å²	72.4	75%	0.753	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-26.9	-178.7	-27.9	35	0	0	0	114.8
372	A	90.7	Very high	95.6	Very high	99 Å²	99	71.6 Å²	71.6	82%	0.818	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-20.9	177.4	0	0	0	0	0	113.9	L370	L370-A372 PolarHBondContact O-N 3.38Å
373	V	91.9	Very high	95.6	Very high	28 Å²	28	71.6 Å²	71.6	17%	0.17	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-29.6	-177.4	179.8	0	0	0	0	111.5	A311 P313 A369 L370 Q375	A311-V373 VanDerWaalsContact O-CG2 3.31Å; A311-V373 WeakPolarHBondContact O-CG2 3.45Å; P313-V373 HydrophobicContact CG-CG1 4.2Å; A369-V373 HydrophobicContact CB-CB 4.48Å; A369-V373 HydrophobicContact CB-CG1 4.5Å; L370-V373 PolarHBondContact O-N 2.93Å; V373-Q375 PolarHBondContact O-N 2.7Å; V373-Q375 PolarHBondContact O-NE2 3.22Å
374	Q	94.9	Very high	95.6	Very high	83 Å²	83	71 Å²	71	39%	0.388	39%	0.391	S	S	.	.			trans	-50.4	123.8	175.9	-178.3	177.2	5.3	0	0	110.9	N366 L370	N366-Q374 WeakPolarHBondContact O-CG 3.23Å; N366-Q374 WeakPolarHBondContact OD1-CA 3.28Å; L370-Q374 PolarHBondContact O-N 2.91Å
375	Q	94.7	Very high	95.6	Very high	57 Å²	57	72.9 Å²	72.9	27%	0.266	39%	0.393	S	S	.	.			trans	-85.7	127.6	177	-62.7	-59	-60.2	0	0	109.9	A327 I331 N366 V373 N377	A327-Q375 HydrophobicContact CB-CG 4.36Å; I331-Q375 HydrophobicContact CD1-CB 4.36Å; I331-Q375 HydrophobicContact CD1-CG 3.84Å; N366-Q375 PolarHBondContact ND2-O 3.01Å; N366-Q375 PolarHBondContact OD1-N 3Å; V373-Q375 PolarHBondContact O-N 2.7Å; V373-Q375 PolarHBondContact O-NE2 3.22Å; Q375-N377 VanDerWaalsContact C-N 3.26Å; Q375-N377 PolarHBondContact O-N 3.23Å
376	N	92.3	Very high	95.6	Very high	154 Å²	154	72.4 Å²	72.4	82%	0.824	39%	0.39	S	S	*	.	S	Bend	trans	-63.6	-35.8	177.5	-65.1	-22.1	0	0	0	112
377	N	93.3	Very high	95.7	Very high	137 Å²	137	71.7 Å²	71.7	73%	0.733	39%	0.386	S	S	*	.	S	Bend	trans	-124.1	121.3	177.7	-63.3	-31.6	0	0	0	108.7	Q328 Q375	Q328-N377 PolarHBondContact NE2-O 3.14Å; Q375-N377 VanDerWaalsContact C-N 3.26Å; Q375-N377 PolarHBondContact O-N 3.23Å
378	L	96	Very high	95.7	Very high	30 Å²	30	69.3 Å²	69.3	16%	0.157	36%	0.362	C	S	.	.			trans	-91	128.9	172.4	-172.6	73.3	0	0	0	108.9	I331 A362 Q363 E380	I331-L378 HydrophobicContact CD1-CD1 4.21Å; I331-L378 HydrophobicContact CG2-CD1 4.23Å; A362-L378 HydrophobicContact CB-CD1 4.45Å; A362-L378 HydrophobicContact CB-CD2 3.88Å; Q363-L378 HydrophobicContact CB-CD2 4.4Å; Q363-L378 HydrophobicContact CG-CD2 3.58Å; L378-E380 PolarHBondContact O-N 2.9Å; L378-E380 VanDerWaalsContact O-N 3.12Å
379	D	97.6	Very high	95.8	Very high	69 Å²	69	60.1 Å²	60.1	37%	0.369	33%	0.328	S	S	.	.			trans	-80.5	88.9	178.3	-171.8	-24	0	0	0	110.4	Q328 D381 L382 I383	Q328-D379 HydrophobicContact CG-CB 4.3Å; D379-D381 VanDerWaalsContact C-N 3.29Å; D379-D381 PolarHBondContact O-N 3.01Å; D379-D381 PolarHBondContact OD1-N 3.3Å; D379-L382 HydrophobicContact CB-CB 3.93Å; D379-L382 VanDerWaalsContact CG-CB 3.47Å; D379-L382 PolarHBondContact O-N 2.87Å; D379-L382 PolarHBondContact OD1-N 3.07Å; D379-I383 WeakPolarHBondContact O-CG1 3.24Å; D379-I383 PolarHBondContact O-N 3.28Å; D379-I383 VanDerWaalsContact O-N 3.16Å
380	E	97.9	Very high	96	Very high	97 Å²	97	58.7 Å²	58.7	45%	0.453	32%	0.317	S	S	.	.	H	α-helix	trans	-60.3	-37.4	-176.9	-61.7	-167.9	166.8	0	0	112.7	V359 Q363 L378 L382 I383 R384	V359-E380 HydrophobicContact CG1-CB 4.34Å; V359-E380 HydrophobicContact CG1-CG 3.87Å; V359-E380 HydrophobicContact CG2-CB 4.46Å; Q363-E380 PolarHBondContact NE2-OE1 3.35Å; Q363-E380 VanDerWaalsContact NE2-OE1 3.09Å; L378-E380 PolarHBondContact O-N 2.9Å; L378-E380 VanDerWaalsContact O-N 3.12Å; E380-L382 PolarHBondContact O-N 3.3Å; E380-I383 PolarHBondContact O-N 3.14Å; E380-R384 WeakPolarHBondContact O-CB 3.31Å; E380-R384 VanDerWaalsContact O-CG 3.25Å; E380-R384 WeakPolarHBondContact O-CG 3.36Å; E380-R384 PolarHBondContact O-N 2.89Å
381	D	96.8	Very high	96.1	Very high	99 Å²	99	56.5 Å²	56.5	53%	0.529	31%	0.31	S	S	.	.	H	α-helix	trans	-65.6	-39.6	179.9	-79.2	-20	0	0	0	111.5	D379 K385	D379-D381 VanDerWaalsContact C-N 3.29Å; D379-D381 PolarHBondContact O-N 3.01Å; D379-D381 PolarHBondContact OD1-N 3.3Å; D381-K385 VanDerWaalsContact O-CG 3.3Å; D381-K385 WeakPolarHBondContact O-CG 3.39Å; D381-K385 PolarHBondContact O-N 3.25Å
382	L	98	Very high	96.4	Very high	4 Å²	4	51.2 Å²	51.2	2%	0.021	28%	0.277	C	S	.	.	H	α-helix	trans	-63.8	-44.7	174.8	-177.3	61.4	0	0	0	111.7	F195 R325 Q328 L329 D379 E380 K385 L386 L429	F195-L382 HydrophobicContact CE1-CD1 3.84Å; F195-L382 HydrophobicContact CZ-CD1 4.17Å; R325-L382 HydrophobicContact CB-CD2 4.27Å; R325-L382 HydrophobicContact CG-CD2 4.03Å; Q328-L382 HydrophobicContact CB-CD2 3.77Å; Q328-L382 HydrophobicContact CG-CD2 4.45Å; L329-L382 HydrophobicContact CD2-CD1 4.19Å; L329-L382 HydrophobicContact CD2-CD2 4Å; L329-L382 HydrophobicContact CD2-CG 4.03Å; L329-L382 HydrophobicContact CG-CD2 4.3Å; D379-L382 HydrophobicContact CB-CB 3.93Å; D379-L382 VanDerWaalsContact CG-CB 3.47Å; D379-L382 PolarHBondContact O-N 2.87Å; D379-L382 PolarHBondContact OD1-N 3.07Å; E380-L382 PolarHBondContact O-N 3.3Å; L382-K385 PolarHBondContact O-N 3.5Å; L382-L386 PolarHBondContact O-N 3.1Å; L382-L429 HydrophobicContact CD1-CD1 3.62Å
383	I	98.5	Very high	96.8	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-66.7	-40	178.8	-58	-58.9	0	0	0	111.2	L358 V359 A362 D379 E380 K385 L386 A387	L358-I383 HydrophobicContact CB-CG2 4.39Å; L358-I383 HydrophobicContact CD2-CG2 3.97Å; L358-I383 HydrophobicContact CG-CG2 3.97Å; V359-I383 HydrophobicContact CG2-CB 4.19Å; V359-I383 HydrophobicContact CG2-CG2 4Å; A362-I383 HydrophobicContact CB-CG1 4.37Å; A362-I383 HydrophobicContact CB-CG2 4.11Å; D379-I383 WeakPolarHBondContact O-CG1 3.24Å; D379-I383 PolarHBondContact O-N 3.28Å; D379-I383 VanDerWaalsContact O-N 3.16Å; E380-I383 PolarHBondContact O-N 3.14Å; I383-K385 VanDerWaalsContact C-N 3.35Å; I383-K385 PolarHBondContact O-N 3.01Å; I383-L386 WeakPolarHBondContact O-CB 3.42Å; I383-L386 PolarHBondContact O-N 2.9Å; I383-A387 PolarHBondContact O-N 3.28Å
384	R	98.2	Very high	97.1	Very high	78 Å²	78	45.9 Å²	45.9	29%	0.294	23%	0.234	S	C	.	.	H	α-helix	trans	-61.5	-43.3	173.8	-71.4	174.4	76.2	-167.4	8.1	111.4	E352 A355 V359 E380 L386 A387 Y388	E352-R384 IonicContact OE1-NH2 3.96Å; E352-R384 IonicContact OE2-CZ 2.78Å; E352-R384 IonicContact OE2-NH2 2.81Å; E352-R384 PolarHBondContact OE2-NH2 3.42Å; A355-R384 HydrophobicContact CB-CB 4.32Å; A355-R384 HydrophobicContact CB-CG 4.2Å; V359-R384 HydrophobicContact CG2-CG 3.66Å; E380-R384 WeakPolarHBondContact O-CB 3.31Å; E380-R384 VanDerWaalsContact O-CG 3.25Å; E380-R384 WeakPolarHBondContact O-CG 3.36Å; E380-R384 PolarHBondContact O-N 2.89Å; R384-L386 VanDerWaalsContact C-N 3.31Å; R384-L386 PolarHBondContact O-N 2.81Å; R384-A387 WeakPolarHBondContact O-CB 3.34Å; R384-A387 PolarHBondContact O-N 2.92Å; R384-A387 VanDerWaalsContact O-N 3.14Å; R384-Y388 HydrophobicContact CB-CE2 4.02Å; R384-Y388 PolarHBondContact NE-OH 2.93Å; R384-Y388 PolarHBondContact NH2-OH 2.87Å; R384-Y388 WeakPolarHBondContact O-CD2 3.19Å; R384-Y388 PolarHBondContact O-N 3.12Å
385	K	97.3	Very high	97.3	Very high	74 Å²	74	42.1 Å²	42.1	32%	0.322	22%	0.217	S	C	.	.	H	α-helix	trans	-60.4	-39.5	174.2	-74.3	175.7	-176.5	178.9	0	112.5	F195 D381 L382 I383 Y388 V389 L429	F195-K385 HydrophobicContact CZ-CB 4.22Å; D381-K385 VanDerWaalsContact O-CG 3.3Å; D381-K385 WeakPolarHBondContact O-CG 3.39Å; D381-K385 PolarHBondContact O-N 3.25Å; L382-K385 PolarHBondContact O-N 3.5Å; I383-K385 VanDerWaalsContact C-N 3.35Å; I383-K385 PolarHBondContact O-N 3.01Å; K385-Y388 PolarHBondContact O-N 2.62Å; K385-V389 WeakPolarHBondContact O-CG2 3.42Å; K385-V389 PolarHBondContact O-N 3.48Å; K385-L429 HydrophobicContact CB-CD1 4.49Å; K385-L429 HydrophobicContact CB-CD2 4.11Å; K385-L429 HydrophobicContact CD-CD1 3.82Å; K385-L429 HydrophobicContact CD-CD2 4.09Å
386	L	98.6	Very high	97.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-59.6	-46.8	172.7	176.3	62.8	0	0	0	111.2	R192 F195 F333 L358 L382 I383 R384 Y388 V389 A390	R192-L386 HydrophobicContact CB-CD1 4.3Å; F195-L386 HydrophobicContact CB-CD1 4Å; F195-L386 HydrophobicContact CD1-CD1 4.41Å; F195-L386 HydrophobicContact CD2-CB 4.4Å; F195-L386 HydrophobicContact CD2-CD1 3.64Å; F195-L386 VanDerWaalsContact CE2-CA 3.45Å; F195-L386 HydrophobicContact CE2-CB 4.04Å; F195-L386 HydrophobicContact CE2-CD1 4.15Å; F195-L386 HydrophobicContact CG-CD1 3.77Å; F195-L386 HydrophobicContact CZ-CB 4.12Å; F333-L386 HydrophobicContact CD2-CD2 4.45Å; F333-L386 HydrophobicContact CE2-CD1 4.34Å; L358-L386 HydrophobicContact CD2-CD2 4.41Å; L358-L386 HydrophobicContact CD2-CG 4.34Å; L382-L386 PolarHBondContact O-N 3.1Å; I383-L386 WeakPolarHBondContact O-CB 3.42Å; I383-L386 PolarHBondContact O-N 2.9Å; R384-L386 VanDerWaalsContact C-N 3.31Å; R384-L386 PolarHBondContact O-N 2.81Å; L386-Y388 PolarHBondContact O-N 2.87Å; L386-V389 PolarHBondContact O-N 2.89Å; L386-A390 WeakPolarHBondContact O-CA 3.4Å; L386-A390 WeakPolarHBondContact O-CB 3.46Å; L386-A390 PolarHBondContact O-N 2.92Å
387	A	98.4	Very high	97.8	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.008	17%	0.165	C	C	.	.	H	α-helix	trans	-58.4	-47	176	0	0	0	0	0	111.8	P347 A355 L358 I383 R384 V389 A390	P347-A387 HydrophobicContact CB-CB 4.26Å; A355-A387 HydrophobicContact CB-CB 3.76Å; L358-A387 HydrophobicContact CB-CB 4.13Å; L358-A387 HydrophobicContact CD2-CB 3.62Å; I383-A387 PolarHBondContact O-N 3.28Å; R384-A387 WeakPolarHBondContact O-CB 3.34Å; R384-A387 PolarHBondContact O-N 2.92Å; R384-A387 VanDerWaalsContact O-N 3.14Å; A387-V389 PolarHBondContact O-N 2.9Å; A387-A390 WeakPolarHBondContact O-CB 3.45Å; A387-A390 PolarHBondContact O-N 3.24Å
388	Y	97.6	Very high	98.1	Very high	19 Å²	19	25.7 Å²	25.7	8%	0.075	13%	0.131	C	C	.	.	H	α-helix	trans	-60	-32.1	-176.4	-63.7	-30.6	0	0	0	114.2	P349 R350 E352 A355 R384 K385 L386	P349-Y388 WeakPolarHBondContact CA-O 3.25Å; R350-Y388 PolarHBondContact N-O 2.89Å; R350-Y388 VanDerWaalsContact N-O 3.17Å; E352-Y388 VanDerWaalsContact CD-OH 3.3Å; E352-Y388 PolarHBondContact OE1-OH 2.74Å; E352-Y388 PolarHBondContact OE2-OH 3.4Å; A355-Y388 HydrophobicContact CB-CD1 3.99Å; A355-Y388 HydrophobicContact CB-CE1 3.48Å; A355-Y388 VanDerWaalsContact CB-CE1 3.48Å; R384-Y388 HydrophobicContact CB-CE2 4.02Å; R384-Y388 PolarHBondContact NE-OH 2.93Å; R384-Y388 PolarHBondContact NH2-OH 2.87Å; R384-Y388 WeakPolarHBondContact O-CD2 3.19Å; R384-Y388 PolarHBondContact O-N 3.12Å; K385-Y388 PolarHBondContact O-N 2.62Å; L386-Y388 PolarHBondContact O-N 2.87Å
389	V	98	Very high	98.2	Very high	4 Å²	4	24.3 Å²	24.3	2%	0.024	12%	0.123	C	C	.	.	H	α-helix	trans	-108.1	6	-178.2	-51.2	0	0	0	0	112.9	R192 G193 F195 K385 L386 A387 A391 G392 V457	R192-V389 CarbonylContact C-O 3.51Å; G193-V389 WeakPolarHBondContact CA-O 3.43Å; G193-V389 PolarHBondContact N-O 3.01Å; F195-V389 HydrophobicContact CD2-CG2 3.49Å; F195-V389 VanDerWaalsContact CD2-CG2 3.49Å; F195-V389 HydrophobicContact CE2-CG2 3.52Å; K385-V389 WeakPolarHBondContact O-CG2 3.42Å; K385-V389 PolarHBondContact O-N 3.48Å; L386-V389 PolarHBondContact O-N 2.89Å; A387-V389 PolarHBondContact O-N 2.9Å; V389-A391 VanDerWaalsContact C-N 3.27Å; V389-A391 PolarHBondContact O-N 3.42Å; V389-G392 WeakPolarHBondContact O-CA 3.22Å; V389-G392 PolarHBondContact O-N 3.13Å; V389-V457 HydrophobicContact CB-CG1 4.43Å; V389-V457 HydrophobicContact CB-CG2 4.19Å; V389-V457 HydrophobicContact CG1-CG1 3.96Å
390	A	98	Very high	98.3	Very high	1 Å²	1	21 Å²	21	1%	0.008	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-33.8	-171.9	0	0	0	0	0	114	R192 L336 P347 L386 A387 G392	R192-A390 WeakPolarHBondContact CD-O 3.43Å; L336-A390 HydrophobicContact CD1-CB 3.79Å; L336-A390 HydrophobicContact CD2-CB 4.45Å; P347-A390 HydrophobicContact CB-CB 4.16Å; P347-A390 HydrophobicContact CG-CB 4.02Å; L386-A390 WeakPolarHBondContact O-CA 3.4Å; L386-A390 WeakPolarHBondContact O-CB 3.46Å; L386-A390 PolarHBondContact O-N 2.92Å; A387-A390 WeakPolarHBondContact O-CB 3.45Å; A387-A390 PolarHBondContact O-N 3.24Å; A390-G392 VanDerWaalsContact C-N 3.28Å
391	A	97.7	Very high	98.3	Very high	37 Å²	37	16.4 Å²	16.4	31%	0.306	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-4.2	175.6	0	0	0	0	0	113.5	P346 P349 V389	P346-A391 HydrophobicContact CB-CB 4.46Å; P346-A391 HydrophobicContact CG-CB 4.15Å; P349-A391 HydrophobicContact CG-CB 4.16Å; V389-A391 VanDerWaalsContact C-N 3.27Å; V389-A391 PolarHBondContact O-N 3.42Å
392	G	98.2	Very high	98.4	Very high	5 Å²	5	11.7 Å²	11.7	5%	0.052	6%	0.059	C	C	.	.			trans	-74.1	146.7	179.5	0	0	0	0	0	113	G193 V389 A390 G453	G193-G392 PolarHBondContact N-O 3.2Å; V389-G392 WeakPolarHBondContact O-CA 3.22Å; V389-G392 PolarHBondContact O-N 3.13Å; A390-G392 VanDerWaalsContact C-N 3.28Å; G392-G453 CarbonylContact C-O 3.58Å; G392-G453 WeakPolarHBondContact CA-O 3.39Å
393	D	98.6	Very high	98.5	Very high	14 Å²	14	11.5 Å²	11.5	8%	0.075	6%	0.058	C	C	.	.			trans	-137.5	104.5	176.6	-175.8	39.3	0	0	0	109.5	S113 S114 N398 G453	S113-D393 WeakPolarHBondContact CB-O 3.19Å; S114-D393 VanDerWaalsContact OG-CG 3.27Å; S114-D393 PolarHBondContact OG-OD1 3.26Å; S114-D393 PolarHBondContact OG-OD2 3.33Å; D393-N398 PolarHBondContact OD1-ND2 3Å; D393-G453 PolarHBondContact N-O 3.35Å; D393-G453 CarbonylContact O-C 3.49Å
394	L	98.9	Very high	98.5	Very high	1 Å²	1	11.5 Å²	11.5	1%	0.005	6%	0.058	C	C	.	.			trans	-111.3	123.1	-170.6	-61.8	-175.7	0	0	0	110.9	L194 P396 I397 N398 Q454 V457 F458	L194-L394 HydrophobicContact CD2-CD1 3.5Å; L194-L394 HydrophobicContact CG-CD1 3.94Å; L394-P396 VanDerWaalsContact C-CD 3.5Å; L394-P396 VanDerWaalsContact C-N 3.33Å; L394-I397 HydrophobicContact CB-CB 4.36Å; L394-I397 HydrophobicContact CB-CG1 4.29Å; L394-I397 HydrophobicContact CD1-CG1 4.44Å; L394-I397 PolarHBondContact O-N 3.35Å; L394-N398 PolarHBondContact O-N 3.49Å; L394-N398 PolarHBondContact O-ND2 3.03Å; L394-Q454 HydrophobicContact CD2-CB 3.96Å; L394-Q454 HydrophobicContact CD2-CG 3.8Å; L394-V457 HydrophobicContact CD1-CG1 4.29Å; L394-V457 HydrophobicContact CD1-CG2 4.25Å; L394-V457 HydrophobicContact CD2-CB 4.36Å; L394-V457 HydrophobicContact CD2-CG2 4.07Å; L394-V457 HydrophobicContact CG-CG2 4.19Å; L394-F458 HydrophobicContact CD1-CE2 3.92Å; L394-F458 HydrophobicContact CD1-CZ 4.12Å; L394-F458 HydrophobicContact CD2-CD2 4.36Å; L394-F458 HydrophobicContact CD2-CE2 3.86Å
395	A	98.8	Very high	98.5	Very high	4 Å²	4	7.8 Å²	7.8	3%	0.033	4%	0.044	C	C	.	.	H	α-helix	trans	-52.8	-41.6	176.5	0	0	0	0	0	114	N398 A399 N486 M489	A395-N398 PolarHBondContact O-N 3.23Å; A395-A399 WeakPolarHBondContact O-CB 3.46Å; A395-A399 PolarHBondContact O-N 2.57Å; A395-N486 PolarHBondContact O-OD1 3.05Å; A395-M489 HydrophobicContact CB-CB 3.54Å; A395-M489 HydrophobicContact CB-CG 4.24Å
396	P	98.9	Very high	98.6	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-64.2	-41.1	178.7	-28.9	40.7	0	0	0	114.5	L394 A399 F400 I490 G903 C906 L907 Y910	L394-P396 VanDerWaalsContact C-CD 3.5Å; L394-P396 VanDerWaalsContact C-N 3.33Å; P396-A399 PolarHBondContact O-N 2.7Å; P396-F400 WeakPolarHBondContact O-CB 3.31Å; P396-F400 PolarHBondContact O-N 3.38Å; P396-I490 HydrophobicContact CG-CD1 3.98Å; P396-I490 HydrophobicContact CG-CG1 4.41Å; P396-G903 WeakPolarHBondContact CB-O 3.44Å; P396-G903 VanDerWaalsContact O-CA 3.27Å; P396-G903 WeakPolarHBondContact O-CA 3.43Å; P396-C906 HydrophobicContact CB-CB 3.8Å; P396-C906 HydrophobicContact CG-CB 3.51Å; P396-L907 HydrophobicContact CB-CD2 3.82Å; P396-L907 HydrophobicContact CB-CG 3.94Å; P396-Y910 HydrophobicContact CB-CE2 4.48Å; P396-Y910 WeakPolarHBondContact CD-OH 3.43Å; P396-Y910 HydrophobicContact CG-CE2 3.79Å
397	I	98.9	Very high	98.6	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-68.5	-40.4	177.1	-65.9	-68.3	0	0	0	110.1	T191 G193 L394 F400 I401 F426 A428 L907	T191-I397 HydrophobicContact CG2-CG2 3.57Å; G193-I397 WeakPolarHBondContact O-CG1 3.29Å; L394-I397 HydrophobicContact CB-CB 4.36Å; L394-I397 HydrophobicContact CB-CG1 4.29Å; L394-I397 HydrophobicContact CD1-CG1 4.44Å; L394-I397 PolarHBondContact O-N 3.35Å; I397-F400 PolarHBondContact O-N 3.31Å; I397-I401 HydrophobicContact CG2-CG1 4.33Å; I397-I401 WeakPolarHBondContact O-CG1 3.45Å; I397-I401 PolarHBondContact O-N 3.21Å; I397-F426 HydrophobicContact CD1-CD1 4.05Å; I397-F426 HydrophobicContact CD1-CE1 3.67Å; I397-A428 HydrophobicContact CD1-CB 4.14Å; I397-L907 HydrophobicContact CD1-CD1 3.91Å; I397-L907 HydrophobicContact CD1-CD2 3.79Å; I397-L907 HydrophobicContact CD1-CG 4.46Å; I397-L907 HydrophobicContact CG1-CD2 4.01Å
398	N	98.9	Very high	98.6	Very high	3 Å²	3	4.3 Å²	4.3	2%	0.016	3%	0.029	C	C	.	.	H	α-helix	trans	-64	-38.8	174	-70.5	-22.3	0	0	0	112.2	E86 S114 T191 D393 L394 A395 G402	E86-N398 WeakPolarHBondContact CG-O 3.38Å; S114-N398 WeakPolarHBondContact CB-ND2 3.32Å; S114-N398 PolarHBondContact OG-ND2 3.08Å; T191-N398 VanDerWaalsContact CB-OD1 3.29Å; T191-N398 WeakPolarHBondContact CB-OD1 3.41Å; T191-N398 WeakPolarHBondContact CG2-OD1 3.39Å; T191-N398 PolarHBondContact OG1-OD1 2.76Å; D393-N398 PolarHBondContact OD1-ND2 3Å; L394-N398 PolarHBondContact O-N 3.49Å; L394-N398 PolarHBondContact O-ND2 3.03Å; A395-N398 PolarHBondContact O-N 3.23Å; N398-G402 WeakPolarHBondContact O-CA 3.18Å; N398-G402 PolarHBondContact O-N 2.95Å
399	A	98.9	Very high	98.7	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-63.8	-45.6	173.9	0	0	0	0	0	111.9	A395 P396 G403 A899	A395-A399 WeakPolarHBondContact O-CB 3.46Å; A395-A399 PolarHBondContact O-N 2.57Å; P396-A399 PolarHBondContact O-N 2.7Å; A399-G403 PolarHBondContact O-N 3.25Å; A399-A899 CarbonylContact O-C 3.59Å
400	F	98.9	Very high	98.7	Very high	0 Å²	0	3.3 Å²	3.3	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-61.3	-65.9	177.4	179.3	-120.1	0	0	0	111.2	P396 I397 G402 G403 L404 F426 A900 L904 L927 F934	P396-F400 WeakPolarHBondContact O-CB 3.31Å; P396-F400 PolarHBondContact O-N 3.38Å; I397-F400 PolarHBondContact O-N 3.31Å; F400-G402 VanDerWaalsContact C-N 3.27Å; F400-G402 PolarHBondContact O-N 2.92Å; F400-G403 PolarHBondContact O-N 3.13Å; F400-G403 VanDerWaalsContact O-N 3.17Å; F400-L404 HydrophobicContact CE1-CD1 3.96Å; F400-L404 HydrophobicContact CE2-CD1 4.06Å; F400-L404 HydrophobicContact CE2-CD2 4.2Å; F400-L404 HydrophobicContact CE2-CG 4.31Å; F400-L404 HydrophobicContact CZ-CD1 3.71Å; F400-L404 HydrophobicContact CZ-CG 4.45Å; F400-L404 WeakPolarHBondContact O-CG 3.41Å; F400-L404 PolarHBondContact O-N 3.49Å; F400-L404 VanDerWaalsContact O-N 3.11Å; F400-F426 AromaticContact CD1-CD1 3.78Å; F400-F426 HydrophobicContact CD1-CD1 3.78Å; F400-F426 AromaticContact CD1-CE1 3.9Å; F400-F426 HydrophobicContact CD1-CE1 3.9Å; F400-F426 HydrophobicContact CD1-CG 4.11Å; F400-F426 HydrophobicContact CD1-CZ 4.33Å; F400-F426 HydrophobicContact CE1-CB 4.15Å; F400-F426 AromaticContact CE1-CD1 3.76Å; F400-F426 HydrophobicContact CE1-CD1 3.76Å; F400-F426 AromaticContact CE1-CD2 3.73Å; F400-F426 HydrophobicContact CE1-CD2 3.73Å; F400-F426 HydrophobicContact CE1-CE1 4.03Å; F400-F426 HydrophobicContact CE1-CE2 4.01Å; F400-F426 AromaticContact CE1-CG 3.59Å; F400-F426 HydrophobicContact CE1-CG 3.59Å; F400-F426 HydrophobicContact CE1-CZ 4.15Å; F400-F426 HydrophobicContact CZ-CD2 4.38Å; F400-F426 HydrophobicContact CZ-CE2 4.47Å; F400-A900 HydrophobicContact CD2-CB 4.29Å; F400-L904 HydrophobicContact CD1-CD2 4.4Å; F400-L904 HydrophobicContact CD2-CD1 4.29Å; F400-L904 HydrophobicContact CD2-CD2 3.71Å; F400-L904 HydrophobicContact CD2-CG 3.78Å; F400-L904 HydrophobicContact CE2-CD1 4.02Å; F400-L904 HydrophobicContact CE2-CD2 3.85Å; F400-L904 HydrophobicContact CE2-CG 3.98Å; F400-L904 HydrophobicContact CG-CD2 4Å; F400-L904 HydrophobicContact CG-CG 4.46Å; F400-L904 HydrophobicContact CZ-CD2 4.25Å; F400-L927 HydrophobicContact CE2-CD1 4.14Å; F400-L927 HydrophobicContact CE2-CD2 4.45Å; F400-F934 HydrophobicContact CE2-CD1 4.49Å; F400-F934 HydrophobicContact CZ-CD1 4.19Å; F400-F934 HydrophobicContact CZ-CE1 4.38Å
401	I	98.9	Very high	98.7	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-63.2	-34.7	-177.2	-56.9	-62.6	0	0	0	111.2	L83 A189 T191 I397 L404 A405 L424 F426	L83-I401 HydrophobicContact CD1-CB 3.98Å; L83-I401 HydrophobicContact CD1-CG2 3.9Å; A189-I401 HydrophobicContact CB-CG2 4.11Å; T191-I401 HydrophobicContact CG2-CB 4.02Å; T191-I401 HydrophobicContact CG2-CG1 3.96Å; T191-I401 HydrophobicContact CG2-CG2 4.33Å; I397-I401 HydrophobicContact CG2-CG1 4.33Å; I397-I401 WeakPolarHBondContact O-CG1 3.45Å; I397-I401 PolarHBondContact O-N 3.21Å; I401-L404 PolarHBondContact O-N 3.21Å; I401-A405 VanDerWaalsContact O-CB 3.3Å; I401-A405 WeakPolarHBondContact O-CB 3.45Å; I401-A405 PolarHBondContact O-N 3.07Å; I401-L424 HydrophobicContact CD1-CD2 4.43Å; I401-F426 HydrophobicContact CD1-CB 4.31Å
402	G	98.8	Very high	98.8	Very high	0 Å²	0	1.8 Å²	1.8	0%	0	1%	0.012	C	C	.	.	H	α-helix	trans	-67.7	-36.2	177.4	0	0	0	0	0	113.4	N398 F400 A406	N398-G402 WeakPolarHBondContact O-CA 3.18Å; N398-G402 PolarHBondContact O-N 2.95Å; F400-G402 VanDerWaalsContact C-N 3.27Å; F400-G402 PolarHBondContact O-N 2.92Å; G402-A406 WeakPolarHBondContact O-CB 3.37Å; G402-A406 PolarHBondContact O-N 2.96Å; G402-A406 VanDerWaalsContact O-N 3.1Å
403	G	98.8	Very high	98.7	Very high	0 Å²	0	2 Å²	2	0%	0	1%	0.012	C	C	.	.	H	α-helix	trans	-63.7	-43	169.5	0	0	0	0	0	112.3	A399 F400 Q407	A399-G403 PolarHBondContact O-N 3.25Å; F400-G403 PolarHBondContact O-N 3.13Å; F400-G403 VanDerWaalsContact O-N 3.17Å; G403-Q407 PolarHBondContact O-N 3.27Å; G403-Q407 VanDerWaalsContact O-N 3.12Å
404	L	98.9	Very high	98.7	Very high	1 Å²	1	1.4 Å²	1.4	1%	0.005	1%	0.01	C	C	.	.	H	α-helix	trans	-65.6	-55.1	177.9	-54.8	-166.9	0	0	0	111.9	L198 F400 I401 A406 Q407 E408 L424 A900 L929 F934	L198-L404 HydrophobicContact CD2-CB 3.84Å; F400-L404 HydrophobicContact CE1-CD1 3.96Å; F400-L404 HydrophobicContact CE2-CD1 4.06Å; F400-L404 HydrophobicContact CE2-CD2 4.2Å; F400-L404 HydrophobicContact CE2-CG 4.31Å; F400-L404 HydrophobicContact CZ-CD1 3.71Å; F400-L404 HydrophobicContact CZ-CG 4.45Å; F400-L404 WeakPolarHBondContact O-CG 3.41Å; F400-L404 PolarHBondContact O-N 3.49Å; F400-L404 VanDerWaalsContact O-N 3.11Å; I401-L404 PolarHBondContact O-N 3.21Å; L404-A406 VanDerWaalsContact C-N 3.3Å; L404-A406 PolarHBondContact O-N 2.91Å; L404-Q407 CarbonylContact O-C 3.57Å; L404-Q407 WeakPolarHBondContact O-CA 3.21Å; L404-Q407 VanDerWaalsContact O-CB 3.32Å; L404-Q407 WeakPolarHBondContact O-CB 3.33Å; L404-Q407 PolarHBondContact O-N 3.35Å; L404-E408 WeakPolarHBondContact O-CG 3.23Å; L404-E408 PolarHBondContact O-N 2.63Å; L404-L424 HydrophobicContact CD1-CD1 4.19Å; L404-L424 HydrophobicContact CD1-CD2 4.37Å; L404-A900 HydrophobicContact CD2-CB 4.03Å; L404-L929 HydrophobicContact CD2-CD1 4.27Å; L404-L929 HydrophobicContact CD2-CD2 3.39Å; L404-L929 HydrophobicContact CD2-CG 4.48Å; L404-F934 HydrophobicContact CD1-CE1 3.67Å; L404-F934 HydrophobicContact CD1-CZ 3.73Å; L404-F934 HydrophobicContact CD2-CE1 3.56Å; L404-F934 HydrophobicContact CD2-CZ 3.96Å; L404-F934 HydrophobicContact CG-CE1 4.27Å; L404-F934 HydrophobicContact CG-CZ 4.44Å
405	A	98.9	Very high	98.6	Very high	0 Å²	0	1.4 Å²	1.4	0%	0	1%	0.01	C	C	.	.	H	α-helix	trans	-61.1	-38.9	-177.4	0	0	0	0	0	111.9	I87 V187 A189 L198 I401 Q407 E408 V409	I87-A405 HydrophobicContact CD1-CB 3.6Å; I87-A405 HydrophobicContact CG1-CB 3.9Å; V187-A405 HydrophobicContact CG1-CB 4.23Å; A189-A405 HydrophobicContact CB-CB 4.15Å; L198-A405 HydrophobicContact CD1-CB 3.78Å; L198-A405 HydrophobicContact CD2-CB 4.28Å; I401-A405 VanDerWaalsContact O-CB 3.3Å; I401-A405 WeakPolarHBondContact O-CB 3.45Å; I401-A405 PolarHBondContact O-N 3.07Å; A405-Q407 VanDerWaalsContact C-N 3.33Å; A405-Q407 PolarHBondContact O-N 2.86Å; A405-E408 PolarHBondContact O-N 2.92Å; A405-V409 WeakPolarHBondContact O-CG2 3.45Å; A405-V409 PolarHBondContact O-N 2.81Å
406	A	98.9	Very high	98.4	Very high	0 Å²	0	2.4 Å²	2.4	0%	0	1%	0.013	C	C	.	.	H	α-helix	trans	-63	-39.6	172.2	0	0	0	0	0	112.1	I87 N90 I91 G402 L404 E408 V409 M410 T896	I87-A406 HydrophobicContact CG2-CB 4.41Å; N90-A406 HydrophobicContact CB-CB 3.41Å; N90-A406 VanDerWaalsContact CB-CB 3.41Å; I91-A406 HydrophobicContact CG1-CB 4.12Å; G402-A406 WeakPolarHBondContact O-CB 3.37Å; G402-A406 PolarHBondContact O-N 2.96Å; G402-A406 VanDerWaalsContact O-N 3.1Å; L404-A406 VanDerWaalsContact C-N 3.3Å; L404-A406 PolarHBondContact O-N 2.91Å; A406-E408 VanDerWaalsContact C-N 3.35Å; A406-V409 PolarHBondContact O-N 2.85Å; A406-M410 VanDerWaalsContact O-CG 3.28Å; A406-M410 WeakPolarHBondContact O-CG 3.47Å; A406-M410 PolarHBondContact O-N 2.91Å; A406-M410 VanDerWaalsContact O-N 3.14Å; A406-T896 HydrophobicContact CB-CG2 3.95Å
407	Q	98.8	Very high	98.4	Very high	1 Å²	1	2.6 Å²	2.6	1%	0.005	1%	0.014	C	C	.	.	H	α-helix	trans	-63.2	-41.2	174	-171.9	59.8	62.6	0	0	111.6	G403 L404 A405 V409 M410 K411 T896 L929	G403-Q407 PolarHBondContact O-N 3.27Å; G403-Q407 VanDerWaalsContact O-N 3.12Å; L404-Q407 CarbonylContact O-C 3.57Å; L404-Q407 WeakPolarHBondContact O-CA 3.21Å; L404-Q407 VanDerWaalsContact O-CB 3.32Å; L404-Q407 WeakPolarHBondContact O-CB 3.33Å; L404-Q407 PolarHBondContact O-N 3.35Å; A405-Q407 VanDerWaalsContact C-N 3.33Å; A405-Q407 PolarHBondContact O-N 2.86Å; Q407-V409 VanDerWaalsContact C-N 3.32Å; Q407-V409 PolarHBondContact O-N 3.24Å; Q407-M410 WeakPolarHBondContact O-CB 3.41Å; Q407-M410 PolarHBondContact O-N 2.9Å; Q407-M410 VanDerWaalsContact O-N 3.08Å; Q407-K411 WeakPolarHBondContact O-CG 3.5Å; Q407-K411 PolarHBondContact O-N 2.86Å; Q407-T896 HydrophobicContact CB-CG2 4.07Å; Q407-T896 PolarHBondContact OE1-OG1 2.85Å; Q407-L929 HydrophobicContact CB-CD1 4.07Å; Q407-L929 HydrophobicContact CG-CB 3.9Å; Q407-L929 HydrophobicContact CG-CD1 4.04Å
408	E	98.9	Very high	98.4	Very high	1 Å²	1	4.9 Å²	4.9	1%	0.005	3%	0.025	C	C	.	.	H	α-helix	trans	-61.3	-38.6	175.8	-60.5	-47.5	121.4	0	0	112.1	V187 L198 F202 L404 A405 A406 M410 K411 A412 P419 I420	V187-E408 HydrophobicContact CG2-CB 4.41Å; L198-E408 HydrophobicContact CD2-CG 4.03Å; F202-E408 HydrophobicContact CZ-CB 4.25Å; F202-E408 WeakPolarHBondContact CZ-O 3.27Å; L404-E408 WeakPolarHBondContact O-CG 3.23Å; L404-E408 PolarHBondContact O-N 2.63Å; A405-E408 PolarHBondContact O-N 2.92Å; A406-E408 VanDerWaalsContact C-N 3.35Å; E408-M410 VanDerWaalsContact C-N 3.31Å; E408-M410 PolarHBondContact O-N 2.87Å; E408-K411 WeakPolarHBondContact O-CB 3.34Å; E408-K411 PolarHBondContact O-N 2.81Å; E408-K411 VanDerWaalsContact OE1-CE 3.3Å; E408-K411 WeakPolarHBondContact OE1-CE 3.48Å; E408-K411 IonicContact OE1-NZ 3.47Å; E408-K411 PolarHBondContact OE1-NZ 2.8Å; E408-K411 WeakPolarHBondContact OE2-CD 3.42Å; E408-K411 IonicContact OE2-NZ 2.93Å; E408-K411 PolarHBondContact OE2-NZ 2.86Å; E408-A412 WeakPolarHBondContact O-CB 3.29Å; E408-A412 PolarHBondContact O-N 3.23Å; E408-P419 WeakPolarHBondContact OE2-CA 3.48Å; E408-I420 HydrophobicContact CG-CD1 3.86Å; E408-I420 HydrophobicContact CG-CG1 4.27Å; E408-I420 PolarHBondContact OE2-N 2.77Å
409	V	98.8	Very high	98.3	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-59.3	-43.3	171.5	171.7	0	0	0	0	111.3	V75 I91 V161 V163 V187 A405 A406 Q407 K411 A412 C413	V75-V409 HydrophobicContact CG1-CG1 4.05Å; V75-V409 HydrophobicContact CG2-CG1 3.93Å; I91-V409 HydrophobicContact CD1-CB 3.99Å; I91-V409 HydrophobicContact CD1-CG1 3.85Å; I91-V409 HydrophobicContact CD1-CG2 3.88Å; I91-V409 HydrophobicContact CG1-CB 4.21Å; I91-V409 HydrophobicContact CG1-CG1 4.04Å; V161-V409 HydrophobicContact CB-CG1 4.41Å; V161-V409 HydrophobicContact CG1-CB 4.47Å; V161-V409 HydrophobicContact CG1-CG1 4.09Å; V161-V409 HydrophobicContact CG1-CG2 4.06Å; V163-V409 HydrophobicContact CG2-CG2 3.47Å; V163-V409 VanDerWaalsContact CG2-CG2 3.47Å; V187-V409 HydrophobicContact CG2-CG2 4.02Å; A405-V409 WeakPolarHBondContact O-CG2 3.45Å; A405-V409 PolarHBondContact O-N 2.81Å; A406-V409 PolarHBondContact O-N 2.85Å; Q407-V409 VanDerWaalsContact C-N 3.32Å; Q407-V409 PolarHBondContact O-N 3.24Å; V409-K411 VanDerWaalsContact C-N 3.3Å; V409-K411 PolarHBondContact O-N 2.93Å; V409-A412 WeakPolarHBondContact O-CB 3.48Å; V409-A412 PolarHBondContact O-N 2.86Å; V409-C413 PolarHBondContact O-N 2.86Å; V409-C413 VanDerWaalsContact O-N 3.12Å; V409-C413 PolarHBondContact O-SG 3.4Å
410	M	98.5	Very high	98.3	Very high	1 Å²	1	4.8 Å²	4.8	1%	0.005	3%	0.025	C	C	.	.	H	α-helix	trans	-62.7	-38.9	177.7	-58.8	-72.9	-85.1	0	0	111.3	L62 L70 A406 Q407 E408 S414 I894	L62-M410 HydrophobicContact CD1-CE 3.63Å; L70-M410 HydrophobicContact CD1-CE 3.37Å; L70-M410 HydrophobicContact CD1-SD 3.96Å; L70-M410 HydrophobicContact CD2-CB 4.45Å; L70-M410 HydrophobicContact CD2-CE 4.18Å; L70-M410 HydrophobicContact CD2-SD 3.6Å; L70-M410 HydrophobicContact CG-CE 4.44Å; L70-M410 HydrophobicContact CG-SD 4.45Å; A406-M410 VanDerWaalsContact O-CG 3.28Å; A406-M410 WeakPolarHBondContact O-CG 3.47Å; A406-M410 PolarHBondContact O-N 2.91Å; A406-M410 VanDerWaalsContact O-N 3.14Å; Q407-M410 WeakPolarHBondContact O-CB 3.41Å; Q407-M410 PolarHBondContact O-N 2.9Å; Q407-M410 VanDerWaalsContact O-N 3.08Å; E408-M410 VanDerWaalsContact C-N 3.31Å; E408-M410 PolarHBondContact O-N 2.87Å; M410-S414 VanDerWaalsContact O-CB 3.29Å; M410-S414 WeakPolarHBondContact O-CB 3.25Å; M410-S414 PolarHBondContact O-N 3.19Å; M410-S414 PolarHBondContact O-OG 3.41Å; M410-I894 HydrophobicContact CE-CD1 4.46Å
411	K	98.6	Very high	98.3	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-63.9	-44.9	174.4	-59.6	178.9	-170.3	174.2	0	111.2	M206 Q407 E408 V409 C413 S414 G415 K416 F417 M418 L929	M206-K411 VanDerWaalsContact CE-O 3.28Å; M206-K411 WeakPolarHBondContact CE-O 3.08Å; Q407-K411 WeakPolarHBondContact O-CG 3.5Å; Q407-K411 PolarHBondContact O-N 2.86Å; E408-K411 WeakPolarHBondContact O-CB 3.34Å; E408-K411 PolarHBondContact O-N 2.81Å; E408-K411 VanDerWaalsContact OE1-CE 3.3Å; E408-K411 WeakPolarHBondContact OE1-CE 3.48Å; E408-K411 IonicContact OE1-NZ 3.47Å; E408-K411 PolarHBondContact OE1-NZ 2.8Å; E408-K411 WeakPolarHBondContact OE2-CD 3.42Å; E408-K411 IonicContact OE2-NZ 2.93Å; E408-K411 PolarHBondContact OE2-NZ 2.86Å; V409-K411 VanDerWaalsContact C-N 3.3Å; V409-K411 PolarHBondContact O-N 2.93Å; K411-C413 VanDerWaalsContact C-N 3.3Å; K411-C413 PolarHBondContact O-N 3.48Å; K411-S414 PolarHBondContact O-N 3.49Å; K411-G415 PolarHBondContact O-N 3.17Å; K411-K416 WeakPolarHBondContact CG-O 3.27Å; K411-F417 HydrophobicContact CD-CB 4.13Å; K411-F417 HydrophobicContact CG-CB 4.11Å; K411-F417 HydrophobicContact CG-CD2 4.44Å; K411-M418 WeakPolarHBondContact CD-O 3.2Å; K411-M418 WeakPolarHBondContact CE-O 3.41Å; K411-M418 PolarHBondContact NZ-O 3.01Å; K411-L929 WeakPolarHBondContact CE-O 3.17Å; K411-L929 PolarHBondContact NZ-O 3.47Å
412	A	98.5	Very high	98.2	Very high	6 Å²	6	7.4 Å²	7.4	5%	0.05	4%	0.038	C	C	.	.	H	α-helix	trans	-56.9	-43.1	-179.8	0	0	0	0	0	112.3	V161 K185 F202 E408 V409	V161-A412 HydrophobicContact CG1-CB 4.43Å; V161-A412 HydrophobicContact CG2-CB 4.04Å; K185-A412 HydrophobicContact CB-CB 3.9Å; K185-A412 HydrophobicContact CG-CB 4.08Å; F202-A412 HydrophobicContact CD1-CB 3.92Å; F202-A412 HydrophobicContact CD2-CB 4.29Å; F202-A412 HydrophobicContact CE1-CB 3.57Å; F202-A412 HydrophobicContact CE2-CB 3.9Å; F202-A412 HydrophobicContact CG-CB 4.29Å; F202-A412 HydrophobicContact CZ-CB 3.55Å; E408-A412 WeakPolarHBondContact O-CB 3.29Å; E408-A412 PolarHBondContact O-N 3.23Å; V409-A412 WeakPolarHBondContact O-CB 3.48Å; V409-A412 PolarHBondContact O-N 2.86Å
413	C	97.4	Very high	98.2	Very high	9 Å²	9	7.5 Å²	7.5	6%	0.061	4%	0.038	C	C	.	.	H	α-helix	trans	-72.3	-35.8	178.8	-63.3	0	0	0	0	113.3	R69 L70 S73 V161 V409 K411	R69-C413 PolarHBondContact NE-O 2.91Å; R69-C413 VanDerWaalsContact NE-O 3.15Å; R69-C413 PolarHBondContact NH2-O 3.19Å; L70-C413 HydrophobicContact CD2-CB 3.53Å; S73-C413 VanDerWaalsContact CB-SG 3.5Å; V161-C413 WeakPolarHBondContact CG2-SG 3.49Å; V409-C413 PolarHBondContact O-N 2.86Å; V409-C413 VanDerWaalsContact O-N 3.12Å; V409-C413 PolarHBondContact O-SG 3.4Å; K411-C413 VanDerWaalsContact C-N 3.3Å; K411-C413 PolarHBondContact O-N 3.48Å
414	S	97.4	Very high	98.2	Very high	3 Å²	3	7.5 Å²	7.5	2%	0.021	4%	0.038	C	C	.	.	H	α-helix	trans	-106.6	-20.3	-163.5	65.3	0	0	0	0	115.5	R69 M410 K411 K416	R69-S414 PolarHBondContact NE-O 2.63Å; R69-S414 PolarHBondContact NH1-O 3.18Å; M410-S414 VanDerWaalsContact O-CB 3.29Å; M410-S414 WeakPolarHBondContact O-CB 3.25Å; M410-S414 PolarHBondContact O-N 3.19Å; M410-S414 PolarHBondContact O-OG 3.41Å; K411-S414 PolarHBondContact O-N 3.49Å; S414-K416 PolarHBondContact O-N 3.33Å; S414-K416 VanDerWaalsContact OG-CB 3.32Å; S414-K416 WeakPolarHBondContact OG-CB 3.2Å; S414-K416 PolarHBondContact OG-N 3.29Å
415	G	96.6	Very high	98.2	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.039	C	C	.	.			trans	63.7	14.3	-168.9	0	0	0	0	0	113.8	L208 T209 K411	L208-G415 WeakPolarHBondContact CA-O 3.26Å; T209-G415 PolarHBondContact N-O 3.23Å; T209-G415 PolarHBondContact OG1-O 3.47Å; K411-G415 PolarHBondContact O-N 3.17Å
416	K	96.4	Very high	98.2	Very high	26 Å²	26	8 Å²	8	11%	0.113	4%	0.04	C	C	.	.	B	Isolated β-bridge	trans	-94.8	131.3	176.3	-171	82.8	170.8	72.6	0	108.9	L62 A66 D210 K411 S414	L62-K416 WeakPolarHBondContact O-CE 3.34Å; A66-K416 HydrophobicContact CB-CB 4.18Å; A66-K416 HydrophobicContact CB-CG 4.47Å; D210-K416 HydrophobicContact CB-CD 3.96Å; D210-K416 IonicContact OD2-NZ 2.67Å; D210-K416 PolarHBondContact OD2-NZ 3.07Å; K411-K416 WeakPolarHBondContact CG-O 3.27Å; S414-K416 PolarHBondContact O-N 3.33Å; S414-K416 VanDerWaalsContact OG-CB 3.32Å; S414-K416 WeakPolarHBondContact OG-CB 3.2Å; S414-K416 PolarHBondContact OG-N 3.29Å
417	F	98	Very high	98.2	Very high	3 Å²	3	8.3 Å²	8.3	1%	0.013	4%	0.042	C	C	.	.	S	Bend	trans	73.2	155	-176.2	-46.5	-50.9	0	0	0	114.7	V61 L62 L208 D210 K411 P419 T603 A930	V61-F417 HydrophobicContact CG1-CE2 4.48Å; V61-F417 HydrophobicContact CG1-CZ 4.04Å; V61-F417 WeakPolarHBondContact O-CZ 3.26Å; L62-F417 HydrophobicContact CD2-CE2 3.7Å; L62-F417 HydrophobicContact CD2-CZ 4.27Å; L208-F417 WeakPolarHBondContact CD2-O 3.27Å; D210-F417 CarbonylContact O-C 3.4Å; D210-F417 WeakPolarHBondContact O-CA 3.27Å; D210-F417 PolarHBondContact O-N 3.37Å; K411-F417 HydrophobicContact CD-CB 4.13Å; K411-F417 HydrophobicContact CG-CB 4.11Å; K411-F417 HydrophobicContact CG-CD2 4.44Å; F417-P419 WeakPolarHBondContact O-CD 3.47Å; F417-T603 HydrophobicContact CD2-CG2 4.29Å; F417-T603 HydrophobicContact CE1-CG2 4.19Å; F417-T603 HydrophobicContact CE2-CG2 3.65Å; F417-T603 HydrophobicContact CZ-CG2 3.59Å; F417-A930 HydrophobicContact CB-CB 4.22Å; F417-A930 WeakPolarHBondContact CB-O 3.3Å; F417-A930 HydrophobicContact CD1-CB 3.37Å; F417-A930 HydrophobicContact CE1-CB 3.8Å; F417-A930 HydrophobicContact CG-CB 3.84Å
418	M	98.1	Very high	98.2	Very high	48 Å²	48	8.5 Å²	8.5	24%	0.236	4%	0.044	C	C	.	.	P	Polyproline II helix	trans	-74.5	125.6	174.9	177.8	67.4	178	0	0	110.4	L208 S211 K411 M421 A930 L931 P932	L208-M418 HydrophobicContact CD1-SD 3.61Å; S211-M418 VanDerWaalsContact O-CB 3.25Å; S211-M418 WeakPolarHBondContact O-CB 3.25Å; S211-M418 PolarHBondContact O-N 3.4Å; K411-M418 WeakPolarHBondContact CD-O 3.2Å; K411-M418 WeakPolarHBondContact CE-O 3.41Å; K411-M418 PolarHBondContact NZ-O 3.01Å; M418-M421 HydrophobicContact CE-CG 3.9Å; M418-M421 HydrophobicContact CE-SD 3.31Å; M418-M421 WeakPolarHBondContact CE-SD 3.27Å; M418-M421 HydrophobicContact SD-SD 4.42Å; M418-A930 PolarHBondContact N-O 2.97Å; M418-L931 WeakPolarHBondContact CB-O 3.25Å; M418-L931 WeakPolarHBondContact CG-O 3.19Å; M418-P932 WeakPolarHBondContact O-CD 3.23Å
419	P	98.5	Very high	98.2	Very high	1 Å²	1	9 Å²	9	1%	0.006	5%	0.046	C	C	.	.	P	Polyproline II helix	trans	-69.2	164	175.2	-23.4	36.2	0	0	0	113.7	F202 M206 L208 I301 F303 E408 F417 M421	F202-P419 HydrophobicContact CD2-CB 3.87Å; F202-P419 HydrophobicContact CD2-CG 3.78Å; F202-P419 HydrophobicContact CE2-CB 3.63Å; F202-P419 HydrophobicContact CE2-CG 3.82Å; M206-P419 HydrophobicContact CE-CG 4.33Å; M206-P419 HydrophobicContact SD-CG 4.13Å; L208-P419 HydrophobicContact CD2-CG 4.17Å; I301-P419 HydrophobicContact CD1-CG 4.07Å; F303-P419 HydrophobicContact CE1-CB 4.4Å; F303-P419 HydrophobicContact CZ-CB 3.81Å; F303-P419 HydrophobicContact CZ-CG 4.03Å; E408-P419 WeakPolarHBondContact OE2-CA 3.48Å; F417-P419 WeakPolarHBondContact O-CD 3.47Å; P419-M421 PolarHBondContact O-N 2.9Å
420	I	98.6	Very high	98.1	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.055	C	C	.	.	P	Polyproline II helix	trans	-63.3	125.2	161.7	-67.5	171.9	0	0	0	109	L198 V316 E408 L424 P932	L198-I420 HydrophobicContact CD2-CD1 3.41Å; L198-I420 VanDerWaalsContact CD2-CD1 3.41Å; L198-I420 HydrophobicContact CG-CD1 4.03Å; V316-I420 HydrophobicContact CB-CG2 4.33Å; V316-I420 HydrophobicContact CG2-CG2 3.86Å; E408-I420 HydrophobicContact CG-CD1 3.86Å; E408-I420 HydrophobicContact CG-CG1 4.27Å; E408-I420 PolarHBondContact OE2-N 2.77Å; I420-L424 HydrophobicContact CD1-CB 4.17Å; I420-L424 HydrophobicContact CD1-CD1 3.64Å; I420-L424 HydrophobicContact CG1-CD1 4.37Å; I420-L424 HydrophobicContact CG2-CB 4.02Å; I420-P932 HydrophobicContact CB-CG 4.45Å; I420-P932 HydrophobicContact CG1-CB 4.36Å; I420-P932 HydrophobicContact CG1-CG 3.53Å
421	M	98.1	Very high	98.1	Very high	52 Å²	52	10.9 Å²	10.9	26%	0.256	6%	0.055	S	C	.	.			trans	-125.3	94.2	178.6	-67.6	-166.5	74.2	0	0	110.2	I301 S302 F303 M418 P419	I301-M421 HydrophobicContact CB-CE 4.37Å; I301-M421 HydrophobicContact CB-SD 4.36Å; I301-M421 HydrophobicContact CD1-SD 3.86Å; S302-M421 WeakPolarHBondContact O-CE 3.48Å; F303-M421 HydrophobicContact CE1-CE 4.39Å; F303-M421 HydrophobicContact CE1-CG 3.77Å; F303-M421 HydrophobicContact CE2-CE 4.37Å; F303-M421 HydrophobicContact CZ-CE 4.25Å; F303-M421 HydrophobicContact CZ-CG 3.79Å; F303-M421 HydrophobicContact CZ-SD 4.23Å; M418-M421 HydrophobicContact CE-CG 3.9Å; M418-M421 HydrophobicContact CE-SD 3.31Å; M418-M421 WeakPolarHBondContact CE-SD 3.27Å; M418-M421 HydrophobicContact SD-SD 4.42Å; P419-M421 PolarHBondContact O-N 2.9Å
422	Q	97.8	Very high	98	Very high	3 Å²	3	12.3 Å²	12.3	1%	0.014	6%	0.062	C	C	.	.	S	Bend	cis	-127.5	-26.9	-6.4	-61.2	-170.3	-31.2	0	0	113.2	F199 C200 F303 K304 S309 D314	F199-Q422 WeakPolarHBondContact CA-O 3.28Å; F199-Q422 HydrophobicContact CD2-CB 4.17Å; F199-Q422 HydrophobicContact CE2-CB 3.93Å; C200-Q422 PolarHBondContact N-O 2.81Å; F303-Q422 HydrophobicContact CD1-CG 3.97Å; F303-Q422 HydrophobicContact CE1-CG 4.42Å; K304-Q422 PolarHBondContact O-NE2 2.83Å; S309-Q422 PolarHBondContact OG-OE1 3.19Å; D314-Q422 PolarHBondContact O-N 3.4Å
423	W	98.8	Very high	97.8	Very high	3 Å²	3	13.5 Å²	13.5	1%	0.011	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	130.4	178.8	-69.2	95.6	0	0	0	111.1	F199 S309 L310 P313 D314 F315 V316 H330 Y425	F199-W423 HydrophobicContact CB-CD2 4.15Å; F199-W423 HydrophobicContact CB-CE3 3.74Å; F199-W423 HydrophobicContact CB-CH2 3.87Å; F199-W423 HydrophobicContact CB-CZ2 4.26Å; F199-W423 HydrophobicContact CB-CZ3 3.61Å; F199-W423 AromaticContact CD2-CD2 3.67Å; F199-W423 HydrophobicContact CD2-CD2 3.67Å; F199-W423 AromaticContact CD2-CE2 3.33Å; F199-W423 HydrophobicContact CD2-CE3 4.15Å; F199-W423 HydrophobicContact CD2-CG 4.14Å; F199-W423 HydrophobicContact CD2-CH2 4.03Å; F199-W423 AromaticContact CD2-CZ2 3.53Å; F199-W423 HydrophobicContact CD2-CZ2 3.53Å; F199-W423 HydrophobicContact CD2-CZ3 4.32Å; F199-W423 AromaticContact CD2-NE1 3.65Å; F199-W423 AromaticContact CE2-CE2 3.86Å; F199-W423 HydrophobicContact CE2-CZ2 4.01Å; F199-W423 AromaticContact CE2-NE1 3.81Å; F199-W423 HydrophobicContact CG-CD2 4.28Å; F199-W423 HydrophobicContact CG-CE3 4.31Å; F199-W423 AromaticContact CG-CH2 3.93Å; F199-W423 HydrophobicContact CG-CH2 3.93Å; F199-W423 AromaticContact CG-CZ2 3.89Å; F199-W423 HydrophobicContact CG-CZ2 3.89Å; F199-W423 HydrophobicContact CG-CZ3 4.16Å; S309-W423 PolarHBondContact O-NE1 3.15Å; S309-W423 PolarHBondContact OG-NE1 3.31Å; L310-W423 HydrophobicContact CD1-CH2 4.24Å; L310-W423 HydrophobicContact CD1-CZ2 4.09Å; P313-W423 HydrophobicContact CB-CG 4.46Å; D314-W423 PolarHBondContact O-N 2.99Å; F315-W423 CarbonylContact C-O 3.41Å; F315-W423 WeakPolarHBondContact CA-O 3.39Å; F315-W423 HydrophobicContact CD1-CB 3.94Å; F315-W423 HydrophobicContact CE1-CB 4.28Å; V316-W423 PolarHBondContact N-O 2.95Å; H330-W423 AromaticContact CE1-CE2 3.87Å; W423-Y425 HydrophobicContact CB-CD2 4.31Å; W423-Y425 HydrophobicContact CB-CE2 3.81Å; W423-Y425 HydrophobicContact CD2-CE2 4.29Å; W423-Y425 AromaticContact CE3-CE2 3.99Å; W423-Y425 HydrophobicContact CE3-CE2 3.99Å; W423-Y425 AromaticContact CE3-CZ 3.81Å; W423-Y425 HydrophobicContact CG-CE2 4.25Å; W423-Y425 WeakPolarHBondContact CZ3-OH 3.4Å
424	L	98.8	Very high	97.5	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	124.2	170.1	-179.9	153.6	0	0	0	108.3	Q197 L198 V316 T318 I401 L404 I420 F426 F934	Q197-L424 CarbonylContact C-O 3.52Å; Q197-L424 VanDerWaalsContact CA-O 3.27Å; Q197-L424 WeakPolarHBondContact CA-O 3.24Å; L198-L424 HydrophobicContact CB-CB 4.28Å; L198-L424 HydrophobicContact CB-CD2 4.46Å; L198-L424 PolarHBondContact N-O 3.01Å; L198-L424 PolarHBondContact O-N 3.06Å; V316-L424 HydrophobicContact CG1-CD1 4.49Å; T318-L424 HydrophobicContact CG2-CD1 3.83Å; T318-L424 HydrophobicContact CG2-CD2 3.51Å; T318-L424 HydrophobicContact CG2-CG 3.43Å; T318-L424 VanDerWaalsContact CG2-CG 3.43Å; I401-L424 HydrophobicContact CD1-CD2 4.43Å; L404-L424 HydrophobicContact CD1-CD1 4.19Å; L404-L424 HydrophobicContact CD1-CD2 4.37Å; I420-L424 HydrophobicContact CD1-CB 4.17Å; I420-L424 HydrophobicContact CD1-CD1 3.64Å; I420-L424 HydrophobicContact CG1-CD1 4.37Å; I420-L424 HydrophobicContact CG2-CB 4.02Å; L424-F426 HydrophobicContact CD2-CB 4.44Å; L424-F934 HydrophobicContact CD1-CD2 3.95Å; L424-F934 HydrophobicContact CD1-CE2 3.34Å; L424-F934 HydrophobicContact CD1-CZ 3.81Å
425	Y	98.8	Very high	96.7	Very high	4 Å²	4	20.7 Å²	20.7	2%	0.016	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	135.8	174	-72.4	-83.9	0	0	0	109.6	Q197 F315 T318 P326 L329 H330 F333 W423	Q197-Y425 HydrophobicContact CB-CD1 3.77Å; Q197-Y425 HydrophobicContact CB-CE1 3.55Å; Q197-Y425 HydrophobicContact CG-CE1 4.48Å; Q197-Y425 VanDerWaalsContact OE1-CE1 3.32Å; Q197-Y425 PolarHBondContact OE1-OH 3.5Å; F315-Y425 HydrophobicContact CD1-CD2 4.02Å; F315-Y425 HydrophobicContact CD1-CE2 4.16Å; F315-Y425 AromaticContact CE1-CD2 3.97Å; F315-Y425 HydrophobicContact CE1-CD2 3.97Å; F315-Y425 AromaticContact CE1-CE2 3.76Å; F315-Y425 HydrophobicContact CE1-CE2 3.76Å; T318-Y425 WeakPolarHBondContact CG2-O 3.43Å; T318-Y425 PolarHBondContact OG1-O 3.28Å; P326-Y425 HydrophobicContact CB-CD2 4.27Å; L329-Y425 HydrophobicContact CB-CD1 3.59Å; L329-Y425 HydrophobicContact CB-CE1 4.24Å; L329-Y425 HydrophobicContact CB-CG 3.96Å; H330-Y425 VanDerWaalsContact CA-CZ 3.49Å; H330-Y425 WeakPolarHBondContact CA-OH 3.13Å; H330-Y425 HydrophobicContact CB-CE2 3.82Å; H330-Y425 AromaticContact ND1-CE2 3.73Å; H330-Y425 AromaticContact ND1-CZ 3.62Å; H330-Y425 PolarHBondContact ND1-OH 3.28Å; F333-Y425 HydrophobicContact CB-CE1 4.39Å; F333-Y425 HydrophobicContact CD2-CD1 4.09Å; F333-Y425 AromaticContact CD2-CE1 3.79Å; F333-Y425 HydrophobicContact CD2-CE1 3.79Å; F333-Y425 HydrophobicContact CE2-CD1 4.24Å; F333-Y425 HydrophobicContact CE2-CE1 4.34Å; F333-Y425 HydrophobicContact CG-CE1 4.2Å; W423-Y425 HydrophobicContact CB-CD2 4.31Å; W423-Y425 HydrophobicContact CB-CE2 3.81Å; W423-Y425 HydrophobicContact CD2-CE2 4.29Å; W423-Y425 AromaticContact CE3-CE2 3.99Å; W423-Y425 HydrophobicContact CE3-CE2 3.99Å; W423-Y425 AromaticContact CE3-CZ 3.81Å; W423-Y425 HydrophobicContact CG-CE2 4.25Å; W423-Y425 WeakPolarHBondContact CZ3-OH 3.4Å
426	F	98.8	Very high	95.3	Very high	8 Å²	8	28.9 Å²	28.9	4%	0.035	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	143.5	179.9	179.4	-104.5	0	0	0	110.6	F195 G196 T318 I397 F400 I401 L424 A428 L904 L907 F936	F195-F426 WeakPolarHBondContact CA-O 3.48Å; G196-F426 PolarHBondContact N-O 3.35Å; G196-F426 PolarHBondContact O-N 2.74Å; T318-F426 HydrophobicContact CG2-CB 4.25Å; T318-F426 HydrophobicContact CG2-CD2 4.44Å; I397-F426 HydrophobicContact CD1-CD1 4.05Å; I397-F426 HydrophobicContact CD1-CE1 3.67Å; F400-F426 AromaticContact CD1-CD1 3.78Å; F400-F426 HydrophobicContact CD1-CD1 3.78Å; F400-F426 AromaticContact CD1-CE1 3.9Å; F400-F426 HydrophobicContact CD1-CE1 3.9Å; F400-F426 HydrophobicContact CD1-CG 4.11Å; F400-F426 HydrophobicContact CD1-CZ 4.33Å; F400-F426 HydrophobicContact CE1-CB 4.15Å; F400-F426 AromaticContact CE1-CD1 3.76Å; F400-F426 HydrophobicContact CE1-CD1 3.76Å; F400-F426 AromaticContact CE1-CD2 3.73Å; F400-F426 HydrophobicContact CE1-CD2 3.73Å; F400-F426 HydrophobicContact CE1-CE1 4.03Å; F400-F426 HydrophobicContact CE1-CE2 4.01Å; F400-F426 AromaticContact CE1-CG 3.59Å; F400-F426 HydrophobicContact CE1-CG 3.59Å; F400-F426 HydrophobicContact CE1-CZ 4.15Å; F400-F426 HydrophobicContact CZ-CD2 4.38Å; F400-F426 HydrophobicContact CZ-CE2 4.47Å; I401-F426 HydrophobicContact CD1-CB 4.31Å; L424-F426 HydrophobicContact CD2-CB 4.44Å; F426-A428 HydrophobicContact CE1-CB 3.96Å; F426-A428 HydrophobicContact CZ-CB 4.15Å; F426-L904 HydrophobicContact CZ-CD2 3.98Å; F426-L907 HydrophobicContact CE1-CD1 3.93Å; F426-L907 HydrophobicContact CZ-CD1 4.04Å; F426-F936 AromaticContact CE2-CE2 3.91Å; F426-F936 HydrophobicContact CE2-CE2 3.91Å; F426-F936 AromaticContact CE2-CZ 3.71Å; F426-F936 HydrophobicContact CE2-CZ 3.71Å; F426-F936 HydrophobicContact CZ-CZ 4.37Å
427	D	98.7	Very high	94.2	Very high	5 Å²	5	35.9 Å²	35.9	3%	0.027	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	146.1	167.9	81.6	77.1	0	0	0	111	L194 F195 K322 R325 L429	L194-D427 VanDerWaalsContact O-CA 3.32Å; L194-D427 WeakPolarHBondContact O-CA 3.49Å; F195-D427 HydrophobicContact CD1-CB 3.5Å; F195-D427 HydrophobicContact CE1-CB 3.68Å; F195-D427 HydrophobicContact CG-CB 4.37Å; K322-D427 PolarHBondContact NZ-O 2.85Å; K322-D427 IonicContact NZ-OD1 2.81Å; K322-D427 PolarHBondContact NZ-OD1 3.35Å; K322-D427 IonicContact NZ-OD2 3.52Å; R325-D427 WeakPolarHBondContact CD-OD2 3.43Å; R325-D427 IonicContact CZ-OD2 3.63Å; R325-D427 IonicContact NE-OD2 2.89Å; R325-D427 IonicContact NH1-OD1 3.75Å; R325-D427 PolarHBondContact NH1-OD1 3.1Å; R325-D427 IonicContact NH1-OD2 2.97Å; R325-D427 PolarHBondContact NH1-OD2 2.77Å; D427-L429 HydrophobicContact CB-CG 4.3Å; D427-L429 PolarHBondContact OD1-N 3.37Å
428	A	98.6	Very high	93	Very high	6 Å²	6	39.6 Å²	39.6	5%	0.05	20%	0.197	C	C	.	.			trans	-120.5	43.2	174.1	0	0	0	0	0	111.1	L194 I397 F426 E430 C431 L907	L194-A428 HydrophobicContact CD2-CB 4.23Å; L194-A428 PolarHBondContact O-N 2.87Å; I397-A428 HydrophobicContact CD1-CB 4.14Å; F426-A428 HydrophobicContact CE1-CB 3.96Å; F426-A428 HydrophobicContact CZ-CB 4.15Å; A428-E430 PolarHBondContact O-N 3.33Å; A428-C431 VanDerWaalsContact O-CB 3.3Å; A428-C431 WeakPolarHBondContact O-CB 3.23Å; A428-C431 PolarHBondContact O-N 2.81Å; A428-C431 PolarHBondContact O-SG 2.97Å; A428-L907 HydrophobicContact CB-CD1 3.76Å; A428-L907 HydrophobicContact CB-CD2 3.99Å; A428-L907 HydrophobicContact CB-CG 4.36Å
429	L	98.1	Very high	92.5	Very high	11 Å²	11	38 Å²	38	6%	0.058	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-58	-21.8	-175.7	-76.5	176.8	0	0	0	114.2	F195 L382 K385 D427 C431 L432	F195-L429 HydrophobicContact CE1-CD1 3.99Å; F195-L429 HydrophobicContact CE1-CD2 4.35Å; F195-L429 HydrophobicContact CE1-CG 4.15Å; F195-L429 HydrophobicContact CE2-CD2 3.75Å; F195-L429 HydrophobicContact CE2-CG 4.42Å; F195-L429 HydrophobicContact CZ-CD1 3.74Å; F195-L429 HydrophobicContact CZ-CD2 3.54Å; F195-L429 HydrophobicContact CZ-CG 3.81Å; L382-L429 HydrophobicContact CD1-CD1 3.62Å; K385-L429 HydrophobicContact CB-CD1 4.49Å; K385-L429 HydrophobicContact CB-CD2 4.11Å; K385-L429 HydrophobicContact CD-CD1 3.82Å; K385-L429 HydrophobicContact CD-CD2 4.09Å; D427-L429 HydrophobicContact CB-CG 4.3Å; D427-L429 PolarHBondContact OD1-N 3.37Å; L429-C431 PolarHBondContact O-N 2.91Å; L429-L432 HydrophobicContact CD2-CD1 4.06Å; L429-L432 WeakPolarHBondContact O-CB 3.36Å; L429-L432 PolarHBondContact O-N 3.34Å; L429-L432 VanDerWaalsContact O-N 3.11Å
430	E	97.8	Very high	92	Very high	40 Å²	40	40.9 Å²	40.9	19%	0.187	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-66.1	-12	175	-58.7	71.3	-153.8	0	0	112.6	K322 R325 A428 L432 H916 S921	K322-E430 WeakPolarHBondContact CE-OE1 3.37Å; K322-E430 IonicContact NZ-OE1 3.01Å; K322-E430 PolarHBondContact NZ-OE1 2.76Å; K322-E430 IonicContact NZ-OE2 2.72Å; K322-E430 PolarHBondContact NZ-OE2 3.41Å; R325-E430 IonicContact NH1-OE1 2.7Å; A428-E430 PolarHBondContact O-N 3.33Å; E430-L432 VanDerWaalsContact C-N 3.26Å; E430-H916 PolarHBondContact O-NE2 3.18Å; E430-S921 VanDerWaalsContact CB-O 3.28Å; E430-S921 WeakPolarHBondContact CB-O 3.47Å
431	C	98.1	Very high	91.8	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-73.6	-16.7	171.7	-58.6	0	0	0	0	113.1	L194 A428 L429 F458 L907 Y910 Q914	L194-C431 HydrophobicContact CD1-CB 4.22Å; L194-C431 HydrophobicContact CD2-CB 3.81Å; A428-C431 VanDerWaalsContact O-CB 3.3Å; A428-C431 WeakPolarHBondContact O-CB 3.23Å; A428-C431 PolarHBondContact O-N 2.81Å; A428-C431 PolarHBondContact O-SG 2.97Å; L429-C431 PolarHBondContact O-N 2.91Å; C431-F458 HydrophobicContact CB-CE1 4.07Å; C431-F458 HydrophobicContact CB-CZ 4.16Å; C431-F458 WeakPolarHBondContact O-CE1 3.11Å; C431-L907 PolarHBondContact SG-O 3.39Å; C431-L907 VanDerWaalsContact SG-O 3.42Å; C431-Y910 HydrophobicContact CB-CD2 4.49Å; C431-Q914 PolarHBondContact O-NE2 3.2Å
432	L	96.9	Very high	91.5	Very high	30 Å²	30	47.7 Å²	47.7	16%	0.157	24%	0.242	C	C	.	.	S	Bend	trans	-67.3	155.8	174.7	-64.7	176.3	0	0	0	110.4	L194 L429 E430 V457 F458 H916	L194-L432 HydrophobicContact CD1-CD1 4.4Å; L194-L432 HydrophobicContact CD1-CD2 3.64Å; L194-L432 HydrophobicContact CD1-CG 3.64Å; L429-L432 HydrophobicContact CD2-CD1 4.06Å; L429-L432 WeakPolarHBondContact O-CB 3.36Å; L429-L432 PolarHBondContact O-N 3.34Å; L429-L432 VanDerWaalsContact O-N 3.11Å; E430-L432 VanDerWaalsContact C-N 3.26Å; L432-V457 HydrophobicContact CD2-CG1 4.13Å; L432-F458 HydrophobicContact CD2-CD1 4.49Å; L432-F458 HydrophobicContact CD2-CE1 4.43Å; L432-H916 PolarHBondContact O-CE1 3.37Å; L432-H916 PolarHBondContact O-NE2 3.47Å
433	P	93.3	Very high	91.3	Very high	31 Å²	31	51 Å²	51	20%	0.201	26%	0.256	C	S	.	.			trans	-55.4	141.7	175.6	-20	27	0	0	0	112.2	D435 Q914	P433-D435 PolarHBondContact O-N 3.02Å; P433-Q914 VanDerWaalsContact CD-OE1 3.28Å; P433-Q914 VanDerWaalsContact CG-OE1 3.23Å
434	E	91	Very high	91.2	Very high	67 Å²	67	50.9 Å²	50.9	31%	0.313	26%	0.256	S	S	.	.	S	Bend	trans	-63.1	-31	176.1	-65	179.2	155.5	0	0	111.7	H916 R917 Q918 S921	E434-H916 HydrophobicContact CG-CB 4.39Å; E434-H916 VanDerWaalsContact CG-CD2 3.44Å; E434-H916 WeakPolarHBondContact CG-CD2 3.4Å; E434-H916 WeakPolarHBondContact OE1-CB 3.37Å; E434-H916 IonicContact OE1-CD2 3.99Å; E434-H916 IonicContact OE1-CG 3.3Å; E434-R917 PolarHBondContact OE1-N 3.17Å; E434-R917 PolarHBondContact OE2-N 3.37Å; E434-R917 VanDerWaalsContact OE2-N 3.16Å; E434-Q918 WeakPolarHBondContact OE1-CB 3.44Å; E434-Q918 PolarHBondContact OE1-N 3.37Å; E434-S921 PolarHBondContact OE1-OG 3.34Å
435	D	80.5	Confident	90.9	Very high	97 Å²	97	55.5 Å²	55.5	52%	0.519	28%	0.28	S	S	.	.	S	Bend	trans	-89.1	113.6	171.9	-170.2	-17.2	0	0	0	111.1	P433 E437 V438	P433-D435 PolarHBondContact O-N 3.02Å; D435-E437 VanDerWaalsContact C-N 3.26Å; D435-E437 PolarHBondContact O-N 2.77Å; D435-E437 PolarHBondContact OD1-N 3.49Å; D435-E437 VanDerWaalsContact OD1-N 3.11Å; D435-V438 HydrophobicContact CB-CG2 4.04Å
436	K	68.6	Low	90.7	Very high	171 Å²	171	61.8 Å²	61.8	74%	0.743	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-67.3	-22.4	-174.5	-66.6	-179.5	-179.4	177.3	0	113.7	V438	K436-V438 VanDerWaalsContact C-N 3.32Å; K436-V438 PolarHBondContact O-N 3.13Å
437	E	71.4	Confident	90.6	Very high	174 Å²	174	68 Å²	68	81%	0.813	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-82.8	-8.6	-171.4	-64.4	-170.6	178.3	0	0	113.6	D435 L439	D435-E437 VanDerWaalsContact C-N 3.26Å; D435-E437 PolarHBondContact O-N 2.77Å; D435-E437 PolarHBondContact OD1-N 3.49Å; D435-E437 VanDerWaalsContact OD1-N 3.11Å; E437-L439 PolarHBondContact O-N 2.95Å
438	V	74.4	Confident	90.5	Very high	81 Å²	81	72.9 Å²	72.9	49%	0.491	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-72	-27.7	-174.9	-179	0	0	0	0	113	D435 K436	D435-V438 HydrophobicContact CB-CG2 4.04Å; K436-V438 VanDerWaalsContact C-N 3.32Å; K436-V438 PolarHBondContact O-N 3.13Å
439	L	87.5	Confident	90.4	Very high	14 Å²	14	75.6 Å²	75.6	7%	0.073	37%	0.369	C	S	.	.			trans	-103.2	110.6	-168.3	-164.7	68.8	0	0	0	111.9	R350 E437 C444 V457 F458	R350-L439 VanDerWaalsContact CD-CD2 3.5Å; R350-L439 HydrophobicContact CG-CD2 4.18Å; R350-L439 HydrophobicContact CG-CG 4.06Å; R350-L439 VanDerWaalsContact CZ-O 3.27Å; R350-L439 PolarHBondContact NE-O 3.37Å; R350-L439 PolarHBondContact NH2-O 3.12Å; E437-L439 PolarHBondContact O-N 2.95Å; L439-C444 WeakPolarHBondContact CD1-SG 3.38Å; L439-V457 WeakPolarHBondContact CD2-O 3.33Å; L439-F458 VanDerWaalsContact CD1-C 3.42Å; L439-F458 WeakPolarHBondContact CD1-O 3.46Å
440	T	88.4	Confident	90.4	Very high	62 Å²	62	75.2 Å²	75.2	38%	0.38	37%	0.367	S	S	.	.			trans	-116.5	164.1	179.2	68.3	0	0	0	0	111.9	D442 K443 C444	T440-D442 VanDerWaalsContact C-N 3.29Å; T440-D442 PolarHBondContact O-N 3.07Å; T440-K443 PolarHBondContact O-N 3.07Å; T440-K443 WeakPolarHBondContact OG1-CG 3.48Å; T440-C444 PolarHBondContact O-N 3.09Å
441	E	92.5	Very high	90.5	Very high	75 Å²	75	74.1 Å²	74.1	35%	0.35	36%	0.361	S	S	.	.	H	α-helix	trans	-52.3	-46.8	173.4	-67.6	-170.7	-160.8	0	0	111.5	R350 N351 K443 C444 L445	R350-E441 HydrophobicContact CB-CG 4.05Å; N351-E441 VanDerWaalsContact CA-OE1 3.26Å; N351-E441 WeakPolarHBondContact CA-OE1 3.17Å; N351-E441 PolarHBondContact ND2-OE1 2.94Å; E441-K443 VanDerWaalsContact C-N 3.29Å; E441-K443 PolarHBondContact O-N 2.91Å; E441-C444 CarbonylContact O-C 3.25Å; E441-C444 PolarHBondContact O-N 2.73Å; E441-L445 WeakPolarHBondContact O-CG 3.33Å; E441-L445 PolarHBondContact O-N 3.19Å; E441-L445 VanDerWaalsContact O-N 3.08Å
442	D	93.3	Very high	90.5	Very high	120 Å²	120	74.4 Å²	74.4	64%	0.642	36%	0.363	S	S	*	.	H	α-helix	trans	-56.8	-38.5	-178.5	-70.2	-35.5	0	0	0	113.8	T440 C444	T440-D442 VanDerWaalsContact C-N 3.29Å; T440-D442 PolarHBondContact O-N 3.07Å; D442-C444 VanDerWaalsContact C-N 3.31Å
443	K	93	Very high	90.6	Very high	72 Å²	72	73 Å²	73	31%	0.313	36%	0.356	S	S	.	.	H	α-helix	trans	-74.4	-26.6	-179.7	-65.2	-69	-177.9	163.8	0	111.9	T440 E441 V455 G459 S460 D461	T440-K443 PolarHBondContact O-N 3.07Å; T440-K443 WeakPolarHBondContact OG1-CG 3.48Å; E441-K443 VanDerWaalsContact C-N 3.29Å; E441-K443 PolarHBondContact O-N 2.91Å; K443-V455 WeakPolarHBondContact O-CG1 3.41Å; K443-G459 VanDerWaalsContact O-CA 3.28Å; K443-G459 WeakPolarHBondContact O-CA 3.49Å; K443-S460 PolarHBondContact O-N 3.38Å; K443-D461 WeakPolarHBondContact CE-OD2 3.5Å; K443-D461 VanDerWaalsContact NZ-CG 3.28Å; K443-D461 IonicContact NZ-OD1 2.74Å; K443-D461 PolarHBondContact NZ-OD1 3.47Å; K443-D461 IonicContact NZ-OD2 2.64Å; K443-D461 PolarHBondContact NZ-OD2 3.1Å
444	C	95.8	Very high	90.8	Very high	1 Å²	1	71.6 Å²	71.6	1%	0.007	35%	0.346	C	S	.	.	H	α-helix	trans	-94.3	-1.5	-179	-67.7	0	0	0	0	113.8	P349 R350 L439 T440 E441 D442 Q446 A456	P349-C444 HydrophobicContact CB-CB 3.68Å; R350-C444 HydrophobicContact CG-CB 4.29Å; L439-C444 WeakPolarHBondContact CD1-SG 3.38Å; T440-C444 PolarHBondContact O-N 3.09Å; E441-C444 CarbonylContact O-C 3.25Å; E441-C444 PolarHBondContact O-N 2.73Å; D442-C444 VanDerWaalsContact C-N 3.31Å; C444-Q446 PolarHBondContact O-N 3.27Å; C444-A456 PolarHBondContact SG-O 2.94Å
445	L	94.5	Very high	91.2	Very high	97 Å²	97	68.8 Å²	68.8	51%	0.508	33%	0.334	S	S	.	.			trans	-63.1	133.4	176.2	-69.7	179.4	0	0	0	111.2	E441	E441-L445 WeakPolarHBondContact O-CG 3.33Å; E441-L445 PolarHBondContact O-N 3.19Å; E441-L445 VanDerWaalsContact O-N 3.08Å
446	Q	94.4	Very high	92	Very high	135 Å²	135	64.4 Å²	64.4	63%	0.631	31%	0.311	S	S	*	.			trans	-57.6	142.8	171.1	59.9	179.2	-12.9	0	0	111.5	C444 D452	C444-Q446 PolarHBondContact O-N 3.27Å; Q446-D452 HydrophobicContact CB-CB 4.23Å
447	R	96.1	Very high	93.4	Very high	138 Å²	138	56.3 Å²	56.3	52%	0.521	28%	0.276	S	S	.	.			trans	-123.7	17.3	-177.5	-60.8	-171.4	179.3	170.5	5.5	113.3	N449 D452 S460	R447-N449 HydrophobicContact CB-CB 4.43Å; R447-N449 PolarHBondContact O-N 3.19Å; R447-D452 PolarHBondContact N-OD1 2.87Å; R447-D452 PolarHBondContact N-OD2 3.37Å; R447-S460 VanDerWaalsContact NH2-CB 3.35Å; R447-S460 PolarHBondContact NH2-OG 2.95Å
448	Q	96.3	Very high	94.6	Very high	109 Å²	109	48.6 Å²	48.6	51%	0.509	24%	0.24	S	C	.	.	S	Bend	trans	54	48.1	-171.9	-74.2	65.2	70	0	0	110.3	W109 D452	W109-Q448 HydrophobicContact CG-CB 4.3Å; Q448-D452 WeakPolarHBondContact CA-OD2 3.44Å; Q448-D452 PolarHBondContact N-OD2 2.81Å
449	N	97.2	Very high	95.6	Very high	63 Å²	63	44.9 Å²	44.9	34%	0.337	22%	0.218	S	C	.	.	S	Bend	trans	-123.4	148.8	-177.7	-171	-15.6	0	0	0	108.8	R447 Y451 D452	R447-N449 HydrophobicContact CB-CB 4.43Å; R447-N449 PolarHBondContact O-N 3.19Å; N449-Y451 PolarHBondContact O-N 3.49Å; N449-Y451 WeakPolarHBondContact OD1-CD2 3.49Å; N449-D452 PolarHBondContact N-OD1 3.32Å; N449-D452 PolarHBondContact N-OD2 3.49Å; N449-D452 WeakPolarHBondContact O-CB 3.41Å; N449-D452 PolarHBondContact O-N 3.46Å
450	R	98.3	Very high	96	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.008	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-21.4	177.5	65.9	-176.3	-63.2	139.5	2.1	113.9	L112 S113 E120 M539 N540	L112-R450 CarbonylContact C-O 3.53Å; L112-R450 HydrophobicContact CB-CB 3.81Å; L112-R450 HydrophobicContact CD2-CB 4.09Å; S113-R450 VanDerWaalsContact CA-O 3.22Å; S113-R450 WeakPolarHBondContact CA-O 3.45Å; S113-R450 PolarHBondContact N-O 2.98Å; S113-R450 PolarHBondContact OG-O 3.34Å; E120-R450 IonicContact OE1-CZ 2.74Å; E120-R450 IonicContact OE1-NH1 3.83Å; E120-R450 PolarHBondContact OE1-NH1 3.36Å; R450-M539 PolarHBondContact NH2-O 2.94Å; R450-N540 PolarHBondContact NE-ND2 2.81Å; R450-N540 PolarHBondContact NH1-OD1 2.77Å; R450-N540 VanDerWaalsContact NH2-CB 3.33Å
451	Y	98.6	Very high	96.3	Very high	17 Å²	17	45.3 Å²	45.3	7%	0.067	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	6.7	179.2	-49	-64.8	0	0	0	113.9	S113 N449 G453 Q454 V455 Q463 G491 N540	S113-Y451 VanDerWaalsContact OG-C 3.28Å; S113-Y451 WeakPolarHBondContact OG-CA 3.48Å; N449-Y451 PolarHBondContact O-N 3.49Å; N449-Y451 WeakPolarHBondContact OD1-CD2 3.49Å; Y451-G453 VanDerWaalsContact C-N 3.26Å; Y451-G453 PolarHBondContact O-N 2.94Å; Y451-Q454 PolarHBondContact O-N 2.95Å; Y451-V455 WeakPolarHBondContact O-CG2 3.17Å; Y451-V455 PolarHBondContact O-N 2.69Å; Y451-Q463 HydrophobicContact CD2-CG 4.23Å; Y451-Q463 HydrophobicContact CG-CG 4.21Å; Y451-G491 VanDerWaalsContact CE1-CA 3.47Å; Y451-N540 PolarHBondContact OH-ND2 2.69Å
452	D	98.4	Very high	96.5	Very high	7 Å²	7	42.3 Å²	42.3	4%	0.037	21%	0.205	C	C	.	.	H	α-helix	trans	-56.7	-36.3	-175.2	-77.3	-17.9	0	0	0	113.1	A110 Q446 R447 Q448 N449 Q454 A456	A110-D452 HydrophobicContact CB-CB 4.24Å; Q446-D452 HydrophobicContact CB-CB 4.23Å; R447-D452 PolarHBondContact N-OD1 2.87Å; R447-D452 PolarHBondContact N-OD2 3.37Å; Q448-D452 WeakPolarHBondContact CA-OD2 3.44Å; Q448-D452 PolarHBondContact N-OD2 2.81Å; N449-D452 PolarHBondContact N-OD1 3.32Å; N449-D452 PolarHBondContact N-OD2 3.49Å; N449-D452 WeakPolarHBondContact O-CB 3.41Å; N449-D452 PolarHBondContact O-N 3.46Å; D452-Q454 VanDerWaalsContact C-N 3.29Å; D452-Q454 PolarHBondContact O-N 3.36Å; D452-A456 WeakPolarHBondContact O-CB 3.42Å; D452-A456 PolarHBondContact O-N 3.04Å
453	G	98.3	Very high	96.7	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.01	18%	0.178	C	C	.	.	H	α-helix	trans	-65.7	-29.5	175.6	0	0	0	0	0	113.5	S113 G392 D393 Y451	S113-G453 WeakPolarHBondContact OG-CA 3.43Å; S113-G453 PolarHBondContact OG-N 2.8Å; G392-G453 CarbonylContact C-O 3.58Å; G392-G453 WeakPolarHBondContact CA-O 3.39Å; D393-G453 PolarHBondContact N-O 3.35Å; D393-G453 CarbonylContact O-C 3.49Å; Y451-G453 VanDerWaalsContact C-N 3.26Å; Y451-G453 PolarHBondContact O-N 2.94Å
454	Q	98.6	Very high	96.9	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-87.3	-41.4	176.9	-175.8	169.1	-65.1	0	0	112.5	L394 Y451 D452 A456 V457 F458 L466 I490 Y910	L394-Q454 HydrophobicContact CD2-CB 3.96Å; L394-Q454 HydrophobicContact CD2-CG 3.8Å; Y451-Q454 PolarHBondContact O-N 2.95Å; D452-Q454 VanDerWaalsContact C-N 3.29Å; D452-Q454 PolarHBondContact O-N 3.36Å; Q454-A456 PolarHBondContact O-N 2.71Å; Q454-V457 PolarHBondContact O-N 2.95Å; Q454-F458 HydrophobicContact CG-CD2 3.91Å; Q454-F458 HydrophobicContact CG-CE2 4.36Å; Q454-F458 PolarHBondContact O-N 3.45Å; Q454-F458 VanDerWaalsContact O-N 3.14Å; Q454-L466 VanDerWaalsContact NE2-CD1 3.28Å; Q454-I490 PolarHBondContact NE2-O 3.39Å; Q454-Y910 PolarHBondContact OE1-OH 2.91Å
455	V	98.3	Very high	97	Very high	8 Å²	8	44.7 Å²	44.7	5%	0.048	21%	0.211	C	C	.	.	H	α-helix	trans	-60.8	-33.6	176.3	169	0	0	0	0	111.1	K443 Y451 V457 G459 Q463	K443-V455 WeakPolarHBondContact O-CG1 3.41Å; Y451-V455 WeakPolarHBondContact O-CG2 3.17Å; Y451-V455 PolarHBondContact O-N 2.69Å; V455-V457 PolarHBondContact O-N 3Å; V455-V457 VanDerWaalsContact O-N 3.12Å; V455-G459 VanDerWaalsContact O-CA 3.26Å; V455-G459 WeakPolarHBondContact O-CA 3.39Å; V455-G459 PolarHBondContact O-N 3.37Å; V455-Q463 HydrophobicContact CG2-CB 3.89Å; V455-Q463 HydrophobicContact CG2-CG 3.96Å
456	A	97.8	Very high	97.2	Very high	6 Å²	6	40.1 Å²	40.1	5%	0.05	19%	0.187	C	C	.	.	H	α-helix	trans	-56.2	-26.1	173.1	0	0	0	0	0	113.7	P349 C444 D452 Q454	P349-A456 HydrophobicContact CB-CB 4.29Å; P349-A456 HydrophobicContact CG-CB 3.85Å; C444-A456 PolarHBondContact SG-O 2.94Å; D452-A456 WeakPolarHBondContact O-CB 3.42Å; D452-A456 PolarHBondContact O-N 3.04Å; Q454-A456 PolarHBondContact O-N 2.71Å
457	V	97.9	Very high	97.4	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-96.6	-46.2	-179.4	-177.2	0	0	0	0	112.2	L194 V389 L394 L432 L439 Q454 V455	L194-V457 HydrophobicContact CD1-CG1 3.96Å; L194-V457 HydrophobicContact CG-CG1 3.96Å; V389-V457 HydrophobicContact CB-CG1 4.43Å; V389-V457 HydrophobicContact CB-CG2 4.19Å; V389-V457 HydrophobicContact CG1-CG1 3.96Å; L394-V457 HydrophobicContact CD1-CG1 4.29Å; L394-V457 HydrophobicContact CD1-CG2 4.25Å; L394-V457 HydrophobicContact CD2-CB 4.36Å; L394-V457 HydrophobicContact CD2-CG2 4.07Å; L394-V457 HydrophobicContact CG-CG2 4.19Å; L432-V457 HydrophobicContact CD2-CG1 4.13Å; L439-V457 WeakPolarHBondContact CD2-O 3.33Å; Q454-V457 PolarHBondContact O-N 2.95Å; V455-V457 PolarHBondContact O-N 3Å; V455-V457 VanDerWaalsContact O-N 3.12Å
458	F	96.8	Very high	97.5	Very high	12 Å²	12	33 Å²	33	5%	0.053	16%	0.16	C	C	.	.	H	α-helix	trans	-109.4	-10.3	-168.7	-61.1	-63.6	0	0	0	114.8	L194 L394 C431 L432 L439 Q454 L462 Y910	L194-F458 HydrophobicContact CD1-CE1 4.42Å; L194-F458 HydrophobicContact CD2-CZ 4.02Å; L394-F458 HydrophobicContact CD1-CE2 3.92Å; L394-F458 HydrophobicContact CD1-CZ 4.12Å; L394-F458 HydrophobicContact CD2-CD2 4.36Å; L394-F458 HydrophobicContact CD2-CE2 3.86Å; C431-F458 HydrophobicContact CB-CE1 4.07Å; C431-F458 HydrophobicContact CB-CZ 4.16Å; C431-F458 WeakPolarHBondContact O-CE1 3.11Å; L432-F458 HydrophobicContact CD2-CD1 4.49Å; L432-F458 HydrophobicContact CD2-CE1 4.43Å; L439-F458 VanDerWaalsContact CD1-C 3.42Å; L439-F458 WeakPolarHBondContact CD1-O 3.46Å; Q454-F458 HydrophobicContact CG-CD2 3.91Å; Q454-F458 HydrophobicContact CG-CE2 4.36Å; Q454-F458 PolarHBondContact O-N 3.45Å; Q454-F458 VanDerWaalsContact O-N 3.14Å; F458-L462 HydrophobicContact CB-CB 4.1Å; F458-L462 HydrophobicContact CB-CD2 3.54Å; F458-L462 HydrophobicContact CB-CG 4.31Å; F458-L462 HydrophobicContact CD1-CD2 3.88Å; F458-L462 HydrophobicContact CD2-CD2 4.41Å; F458-L462 HydrophobicContact CG-CD2 3.71Å; F458-Y910 HydrophobicContact CD2-CE1 4.42Å; F458-Y910 HydrophobicContact CE2-CD1 4.06Å; F458-Y910 AromaticContact CE2-CD2 3.85Å; F458-Y910 HydrophobicContact CE2-CD2 3.85Å; F458-Y910 AromaticContact CE2-CE1 3.88Å; F458-Y910 HydrophobicContact CE2-CE1 3.88Å; F458-Y910 AromaticContact CE2-CE2 3.64Å; F458-Y910 HydrophobicContact CE2-CE2 3.64Å; F458-Y910 HydrophobicContact CE2-CG 4.05Å; F458-Y910 AromaticContact CE2-CZ 3.66Å; F458-Y910 HydrophobicContact CZ-CD1 4.3Å; F458-Y910 AromaticContact CZ-CD2 3.57Å; F458-Y910 HydrophobicContact CZ-CD2 3.57Å; F458-Y910 HydrophobicContact CZ-CE1 4.5Å; F458-Y910 AromaticContact CZ-CE2 3.78Å; F458-Y910 HydrophobicContact CZ-CE2 3.78Å; F458-Y910 AromaticContact CZ-CG 3.85Å; F458-Y910 HydrophobicContact CZ-CG 3.85Å
459	G	96	Very high	97.7	Very high	3 Å²	3	29 Å²	29	3%	0.031	14%	0.142	C	C	.	.			trans	78	161	-175.8	0	0	0	0	0	114	K443 V455 D461 L462 Q463	K443-G459 VanDerWaalsContact O-CA 3.28Å; K443-G459 WeakPolarHBondContact O-CA 3.49Å; V455-G459 VanDerWaalsContact O-CA 3.26Å; V455-G459 WeakPolarHBondContact O-CA 3.39Å; V455-G459 PolarHBondContact O-N 3.37Å; G459-D461 VanDerWaalsContact C-N 3.26Å; G459-D461 PolarHBondContact O-N 3.48Å; G459-L462 PolarHBondContact O-N 2.95Å; G459-Q463 PolarHBondContact O-N 2.96Å
460	S	96	Very high	97.7	Very high	8 Å²	8	28.8 Å²	28.8	6%	0.056	14%	0.138	C	C	.	.	H	α-helix	trans	-63.3	-28.6	-175.2	61.5	0	0	0	0	114.5	K443 R447 Q463 E464	K443-S460 PolarHBondContact O-N 3.38Å; R447-S460 VanDerWaalsContact NH2-CB 3.35Å; R447-S460 PolarHBondContact NH2-OG 2.95Å; S460-Q463 WeakPolarHBondContact O-CB 3.19Å; S460-Q463 PolarHBondContact O-N 2.92Å; S460-E464 WeakPolarHBondContact O-CG 3.45Å; S460-E464 PolarHBondContact O-N 3.3Å
461	D	94.9	Very high	97.8	Very high	77 Å²	77	28.7 Å²	28.7	41%	0.412	14%	0.137	S	C	.	.	H	α-helix	trans	-72	-35.6	-174.1	-61.6	-5.7	0	0	0	111.1	K443 G459 K465	K443-D461 WeakPolarHBondContact CE-OD2 3.5Å; K443-D461 VanDerWaalsContact NZ-CG 3.28Å; K443-D461 IonicContact NZ-OD1 2.74Å; K443-D461 PolarHBondContact NZ-OD1 3.47Å; K443-D461 IonicContact NZ-OD2 2.64Å; K443-D461 PolarHBondContact NZ-OD2 3.1Å; G459-D461 VanDerWaalsContact C-N 3.26Å; G459-D461 PolarHBondContact O-N 3.48Å; D461-K465 PolarHBondContact O-N 3.47Å
462	L	95.8	Very high	97.8	Very high	12 Å²	12	28 Å²	28	6%	0.063	13%	0.134	C	C	.	.	H	α-helix	trans	-69.6	-37.6	171.9	-174.4	59.4	0	0	0	111.3	F458 G459 E464 K465 L466 V913 Q914	F458-L462 HydrophobicContact CB-CB 4.1Å; F458-L462 HydrophobicContact CB-CD2 3.54Å; F458-L462 HydrophobicContact CB-CG 4.31Å; F458-L462 HydrophobicContact CD1-CD2 3.88Å; F458-L462 HydrophobicContact CD2-CD2 4.41Å; F458-L462 HydrophobicContact CG-CD2 3.71Å; G459-L462 PolarHBondContact O-N 2.95Å; L462-E464 VanDerWaalsContact C-N 3.28Å; L462-E464 PolarHBondContact O-N 2.75Å; L462-K465 HydrophobicContact CD1-CB 4.26Å; L462-K465 HydrophobicContact CD1-CD 4.09Å; L462-K465 WeakPolarHBondContact O-CB 3.39Å; L462-K465 PolarHBondContact O-N 2.99Å; L462-K465 VanDerWaalsContact O-N 3.09Å; L462-L466 HydrophobicContact CG-CD1 4.44Å; L462-L466 WeakPolarHBondContact O-CG 3.37Å; L462-L466 PolarHBondContact O-N 3.35Å; L462-V913 HydrophobicContact CD1-CG1 4.01Å; L462-Q914 HydrophobicContact CD1-CG 3.44Å; L462-Q914 VanDerWaalsContact CD1-CG 3.44Å; L462-Q914 HydrophobicContact CD2-CG 3.66Å; L462-Q914 HydrophobicContact CG-CG 4.2Å
463	Q	97.9	Very high	97.8	Very high	17 Å²	17	27.6 Å²	27.6	8%	0.079	13%	0.133	C	C	.	.	H	α-helix	trans	-58.7	-40.3	175.8	-168.8	61.5	44.3	0	0	112.2	Y451 V455 G459 S460 L466 G467 I490	Y451-Q463 HydrophobicContact CD2-CG 4.23Å; Y451-Q463 HydrophobicContact CG-CG 4.21Å; V455-Q463 HydrophobicContact CG2-CB 3.89Å; V455-Q463 HydrophobicContact CG2-CG 3.96Å; G459-Q463 PolarHBondContact O-N 2.96Å; S460-Q463 WeakPolarHBondContact O-CB 3.19Å; S460-Q463 PolarHBondContact O-N 2.92Å; Q463-L466 WeakPolarHBondContact O-CB 3.18Å; Q463-L466 PolarHBondContact O-N 2.81Å; Q463-G467 PolarHBondContact O-N 2.81Å; Q463-I490 PolarHBondContact NE2-O 2.79Å
464	E	97.5	Very high	97.8	Very high	113 Å²	113	27.8 Å²	27.8	53%	0.528	13%	0.134	S	C	.	.	H	α-helix	trans	-66	-39.1	174	-73.2	-63.4	142.4	0	0	112.5	S460 L462 L466 G467 K468	S460-E464 WeakPolarHBondContact O-CG 3.45Å; S460-E464 PolarHBondContact O-N 3.3Å; L462-E464 VanDerWaalsContact C-N 3.28Å; L462-E464 PolarHBondContact O-N 2.75Å; E464-L466 VanDerWaalsContact C-N 3.35Å; E464-G467 PolarHBondContact O-N 3.41Å; E464-K468 WeakPolarHBondContact O-CG 3.22Å; E464-K468 PolarHBondContact O-N 3.02Å
465	K	98	Very high	97.8	Very high	113 Å²	113	28.1 Å²	28.1	49%	0.491	14%	0.137	S	C	.	.	H	α-helix	trans	-61.2	-43.7	174.1	-75.9	171.6	174	-85.1	0	111.4	D461 L462 G467 K468 Q469 V913	D461-K465 PolarHBondContact O-N 3.47Å; L462-K465 HydrophobicContact CD1-CB 4.26Å; L462-K465 HydrophobicContact CD1-CD 4.09Å; L462-K465 WeakPolarHBondContact O-CB 3.39Å; L462-K465 PolarHBondContact O-N 2.99Å; L462-K465 VanDerWaalsContact O-N 3.09Å; K465-G467 VanDerWaalsContact C-N 3.33Å; K465-G467 PolarHBondContact O-N 3.26Å; K465-K468 PolarHBondContact O-N 2.76Å; K465-K468 VanDerWaalsContact O-N 3.15Å; K465-Q469 WeakPolarHBondContact O-CG 3.49Å; K465-Q469 PolarHBondContact O-N 3.08Å; K465-Q469 PolarHBondContact O-NE2 2.86Å; K465-Q469 VanDerWaalsContact O-NE2 3.14Å; K465-V913 HydrophobicContact CB-CG1 4.03Å
466	L	98.6	Very high	97.8	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-58.8	-44.2	175.4	-71.1	164.8	0	0	0	111.4	Q454 L462 Q463 E464 K468 Q469 I490 L492 G493 Y910 V913	Q454-L466 VanDerWaalsContact NE2-CD1 3.28Å; L462-L466 HydrophobicContact CG-CD1 4.44Å; L462-L466 WeakPolarHBondContact O-CG 3.37Å; L462-L466 PolarHBondContact O-N 3.35Å; Q463-L466 WeakPolarHBondContact O-CB 3.18Å; Q463-L466 PolarHBondContact O-N 2.81Å; E464-L466 VanDerWaalsContact C-N 3.35Å; L466-K468 PolarHBondContact O-N 3.03Å; L466-Q469 PolarHBondContact O-N 3.19Å; L466-I490 HydrophobicContact CD1-CG2 3.86Å; L466-I490 HydrophobicContact CD2-CG2 3.8Å; L466-I490 HydrophobicContact CG-CG2 4.31Å; L466-L492 HydrophobicContact CD2-CD1 4.06Å; L466-L492 WeakPolarHBondContact O-CA 3.39Å; L466-G493 PolarHBondContact O-N 3.11Å; L466-Y910 HydrophobicContact CD1-CE1 4.28Å; L466-V913 HydrophobicContact CD2-CB 4.17Å; L466-V913 HydrophobicContact CD2-CG1 3.9Å; L466-V913 HydrophobicContact CD2-CG2 3.92Å; L466-V913 HydrophobicContact CG-CG1 4.2Å
467	G	98.6	Very high	97.8	Very high	7 Å²	7	28 Å²	28	7%	0.072	14%	0.138	C	C	.	.	H	α-helix	trans	-56.5	-32.6	176.1	0	0	0	0	0	113.5	Q463 E464 K465 G491 G493 C494 G495 G498	Q463-G467 PolarHBondContact O-N 2.81Å; E464-G467 PolarHBondContact O-N 3.41Å; K465-G467 VanDerWaalsContact C-N 3.33Å; K465-G467 PolarHBondContact O-N 3.26Å; G467-G491 WeakPolarHBondContact CA-O 3.44Å; G467-G493 CarbonylContact O-C 3.55Å; G467-G493 WeakPolarHBondContact O-CA 3.49Å; G467-C494 PolarHBondContact O-N 3.04Å; G467-G495 VanDerWaalsContact O-CA 3.23Å; G467-G495 WeakPolarHBondContact O-CA 3.46Å; G467-G495 PolarHBondContact O-N 2.95Å; G467-G498 WeakPolarHBondContact O-CA 3.34Å
468	K	98.7	Very high	97.8	Very high	118 Å²	118	28.6 Å²	28.6	51%	0.513	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-4	-176.1	-66	173.6	-173.7	175.2	0	114.7	E464 K465 L466	E464-K468 WeakPolarHBondContact O-CG 3.22Å; E464-K468 PolarHBondContact O-N 3.02Å; K465-K468 PolarHBondContact O-N 2.76Å; K465-K468 VanDerWaalsContact O-N 3.15Å; L466-K468 PolarHBondContact O-N 3.03Å
469	Q	98.8	Very high	97.9	Very high	25 Å²	25	28.5 Å²	28.5	12%	0.117	14%	0.143	C	C	.	.			trans	-67.1	144.6	-176.6	-65.3	-59.6	-71	0	0	112.5	K465 L466 Y471 L492 G493 G498 E499 D569 V913	K465-Q469 WeakPolarHBondContact O-CG 3.49Å; K465-Q469 PolarHBondContact O-N 3.08Å; K465-Q469 PolarHBondContact O-NE2 2.86Å; K465-Q469 VanDerWaalsContact O-NE2 3.14Å; L466-Q469 PolarHBondContact O-N 3.19Å; Q469-Y471 HydrophobicContact CB-CD2 3.96Å; Q469-Y471 HydrophobicContact CB-CE2 4.14Å; Q469-Y471 HydrophobicContact CG-CE2 4.36Å; Q469-L492 HydrophobicContact CB-CD1 3.42Å; Q469-L492 VanDerWaalsContact CB-CD1 3.42Å; Q469-L492 HydrophobicContact CB-CG 4.16Å; Q469-L492 HydrophobicContact CG-CD1 3.53Å; Q469-G493 WeakPolarHBondContact O-CA 3.13Å; Q469-G498 VanDerWaalsContact O-CA 3.24Å; Q469-G498 WeakPolarHBondContact O-CA 3.35Å; Q469-E499 PolarHBondContact O-N 3.17Å; Q469-D569 VanDerWaalsContact CA-OD2 3.26Å; Q469-D569 WeakPolarHBondContact CA-OD2 3.3Å; Q469-V913 HydrophobicContact CG-CG1 4.09Å; Q469-V913 HydrophobicContact CG-CG2 3.92Å
470	K	98.9	Very high	98	Very high	57 Å²	57	28.3 Å²	28.3	25%	0.248	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	109.4	167.6	-63.2	-169.6	-168	60.3	0	111	G497 E499 N567 L568 D569	K470-G497 WeakPolarHBondContact CE-O 3.31Å; K470-G497 PolarHBondContact NZ-O 2.78Å; K470-E499 CarbonylContact C-O 3.52Å; K470-E499 VanDerWaalsContact CA-O 3.23Å; K470-E499 WeakPolarHBondContact CA-O 3.43Å; K470-E499 HydrophobicContact CG-CB 4.34Å; K470-N567 WeakPolarHBondContact CD-O 3.39Å; K470-L568 HydrophobicContact CB-CD2 4.38Å; K470-D569 PolarHBondContact N-OD2 3.37Å; K470-D569 PolarHBondContact O-N 2.98Å
471	Y	98.9	Very high	98.2	Very high	1 Å²	1	28 Å²	28	0%	0.004	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	137.8	-177.7	-94.9	-110.8	0	0	0	112.1	Q469 L492 E499 I500 I501 D569 G570 L596 L909 V912	Q469-Y471 HydrophobicContact CB-CD2 3.96Å; Q469-Y471 HydrophobicContact CB-CE2 4.14Å; Q469-Y471 HydrophobicContact CG-CE2 4.36Å; Y471-L492 HydrophobicContact CD1-CD2 4.48Å; Y471-L492 HydrophobicContact CD2-CD1 4.29Å; Y471-L492 HydrophobicContact CD2-CD2 4.11Å; Y471-L492 HydrophobicContact CE2-CD1 4.46Å; Y471-L492 HydrophobicContact CG-CD2 3.96Å; Y471-E499 PolarHBondContact N-O 2.9Å; Y471-I500 WeakPolarHBondContact O-CA 3.35Å; Y471-I501 PolarHBondContact O-N 2.7Å; Y471-D569 HydrophobicContact CE2-CB 4.18Å; Y471-G570 WeakPolarHBondContact CA-O 3.42Å; Y471-L596 HydrophobicContact CE1-CD1 4.3Å; Y471-L909 HydrophobicContact CD1-CD1 4.41Å; Y471-L909 HydrophobicContact CE1-CD1 3.51Å; Y471-L909 HydrophobicContact CE2-CD1 4.04Å; Y471-L909 WeakPolarHBondContact OH-CD1 3.41Å; Y471-V912 VanDerWaalsContact OH-CG1 3.28Å; Y471-V912 WeakPolarHBondContact OH-CG1 3.25Å
472	F	98.9	Very high	98.4	Very high	1 Å²	1	24.3 Å²	24.3	0%	0.004	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	115.8	171.1	-177.9	-141.8	0	0	0	110.5	V474 I501 T503 V552 Y560 F564 L568 G570 V571 A572 M584	F472-V474 HydrophobicContact CD1-CG2 3.69Å; F472-V474 HydrophobicContact CE1-CG2 3.47Å; F472-V474 VanDerWaalsContact CE1-CG2 3.47Å; F472-V474 HydrophobicContact CE2-CG2 4.33Å; F472-V474 HydrophobicContact CG-CG2 4.23Å; F472-V474 HydrophobicContact CZ-CG2 3.83Å; F472-I501 CarbonylContact C-O 3.44Å; F472-I501 WeakPolarHBondContact CA-O 3.28Å; F472-I501 HydrophobicContact CD2-CB 4.02Å; F472-I501 HydrophobicContact CD2-CG2 3.94Å; F472-I501 WeakPolarHBondContact CD2-O 3.46Å; F472-I501 HydrophobicContact CE2-CG2 4.12Å; F472-T503 HydrophobicContact CE2-CG2 3.49Å; F472-T503 VanDerWaalsContact CE2-CG2 3.49Å; F472-T503 HydrophobicContact CZ-CG2 3.55Å; F472-V552 HydrophobicContact CE1-CG2 4.39Å; F472-V552 HydrophobicContact CZ-CG2 3.85Å; F472-Y560 HydrophobicContact CE2-CD1 4.46Å; F472-Y560 AromaticContact CE2-CE1 3.91Å; F472-Y560 HydrophobicContact CE2-CE1 3.91Å; F472-Y560 HydrophobicContact CZ-CD1 4.03Å; F472-Y560 AromaticContact CZ-CE1 3.77Å; F472-Y560 HydrophobicContact CZ-CE1 3.77Å; F472-Y560 HydrophobicContact CZ-CE2 4.31Å; F472-Y560 HydrophobicContact CZ-CG 4.39Å; F472-Y560 AromaticContact CZ-CZ 3.92Å; F472-F564 HydrophobicContact CB-CE1 4.45Å; F472-F564 HydrophobicContact CB-CZ 4.31Å; F472-F564 AromaticContact CD1-CE1 3.81Å; F472-F564 HydrophobicContact CD1-CE1 3.81Å; F472-F564 HydrophobicContact CD1-CZ 4.09Å; F472-F564 HydrophobicContact CD2-CE1 4.26Å; F472-F564 AromaticContact CD2-CZ 3.69Å; F472-F564 HydrophobicContact CD2-CZ 3.69Å; F472-F564 AromaticContact CE1-CE1 3.98Å; F472-F564 HydrophobicContact CE1-CE1 3.98Å; F472-F564 HydrophobicContact CE1-CZ 4.26Å; F472-F564 HydrophobicContact CE2-CE1 4.42Å; F472-F564 AromaticContact CE2-CZ 3.88Å; F472-F564 HydrophobicContact CE2-CZ 3.88Å; F472-F564 AromaticContact CG-CE1 3.95Å; F472-F564 HydrophobicContact CG-CE1 3.95Å; F472-F564 AromaticContact CG-CZ 3.79Å; F472-F564 HydrophobicContact CG-CZ 3.79Å; F472-F564 HydrophobicContact CZ-CE1 4.27Å; F472-F564 HydrophobicContact CZ-CZ 4.14Å; F472-L568 HydrophobicContact CB-CD1 3.61Å; F472-L568 HydrophobicContact CB-CD2 4.07Å; F472-L568 HydrophobicContact CD1-CD1 4.47Å; F472-L568 HydrophobicContact CG-CD1 4.37Å; F472-G570 PolarHBondContact N-O 3.36Å; F472-V571 HydrophobicContact CB-CG2 4.37Å; F472-V571 HydrophobicContact CD1-CG1 4.43Å; F472-V571 WeakPolarHBondContact O-CA 3.31Å; F472-A572 PolarHBondContact O-N 2.93Å; F472-M584 HydrophobicContact CD1-CE 3.88Å; F472-M584 HydrophobicContact CE1-CE 3.89Å; F472-M584 HydrophobicContact CE1-SD 4.36Å
473	L	98.9	Very high	98.5	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	116.3	176.5	176.4	63	0	0	0	110.1	L483 L484 I501 V502 T503 A572 A574	L473-L483 HydrophobicContact CD1-CB 4.18Å; L473-L483 HydrophobicContact CD1-CD1 3.51Å; L473-L483 HydrophobicContact CD1-CG 4.49Å; L473-L483 HydrophobicContact CD2-CB 4.48Å; L473-L484 HydrophobicContact CD2-CD1 4.1Å; L473-L484 HydrophobicContact CD2-CD2 3.72Å; L473-L484 HydrophobicContact CD2-CG 3.5Å; L473-L484 VanDerWaalsContact CD2-CG 3.5Å; L473-I501 PolarHBondContact N-O 3.1Å; L473-V502 HydrophobicContact CB-CB 4.33Å; L473-V502 HydrophobicContact CB-CG2 4.36Å; L473-V502 HydrophobicContact CD2-CB 4.29Å; L473-V502 HydrophobicContact CD2-CG2 3.84Å; L473-V502 HydrophobicContact CG-CG2 4.1Å; L473-V502 WeakPolarHBondContact O-CA 3.23Å; L473-T503 PolarHBondContact O-N 2.92Å; L473-T503 VanDerWaalsContact O-N 3.1Å; L473-A572 WeakPolarHBondContact CA-O 3.45Å; L473-A572 HydrophobicContact CD1-CB 4.22Å; L473-A574 HydrophobicContact CD1-CB 4Å
474	V	98.8	Very high	98.6	Very high	5 Å²	5	23 Å²	23	3%	0.03	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	102.8	-178.4	-168.8	0	0	0	0	110.4	F472 T503 V552 V571 A572 A574 L575 M584	F472-V474 HydrophobicContact CD1-CG2 3.69Å; F472-V474 HydrophobicContact CE1-CG2 3.47Å; F472-V474 VanDerWaalsContact CE1-CG2 3.47Å; F472-V474 HydrophobicContact CE2-CG2 4.33Å; F472-V474 HydrophobicContact CG-CG2 4.23Å; F472-V474 HydrophobicContact CZ-CG2 3.83Å; V474-T503 HydrophobicContact CG1-CG2 4.38Å; V474-V552 HydrophobicContact CG1-CB 3.98Å; V474-V552 HydrophobicContact CG1-CG1 4.4Å; V474-V552 HydrophobicContact CG1-CG2 3.78Å; V474-V571 HydrophobicContact CG2-CG1 4.3Å; V474-A572 PolarHBondContact N-O 3Å; V474-A574 CarbonylContact O-C 3.51Å; V474-A574 WeakPolarHBondContact O-CA 3.39Å; V474-A574 PolarHBondContact O-N 2.87Å; V474-L575 HydrophobicContact CB-CD2 4.5Å; V474-L575 HydrophobicContact CG1-CD2 3.76Å; V474-L575 HydrophobicContact CG1-CG 4.39Å; V474-M584 HydrophobicContact CG1-CG 4.37Å; V474-M584 HydrophobicContact CG2-CE 3.79Å; V474-M584 HydrophobicContact CG2-CG 4.16Å; V474-M584 HydrophobicContact CG2-SD 4.07Å
475	G	98.1	Very high	98.6	Very high	7 Å²	7	17.7 Å²	17.7	7%	0.072	9%	0.088	C	C	.	.			trans	106.7	135.8	-174.4	0	0	0	0	0	112.8	T503 A574	G475-T503 WeakPolarHBondContact CA-O 3.42Å; G475-T503 PolarHBondContact N-O 3Å; G475-A574 WeakPolarHBondContact O-CB 3.47Å
476	A	98.4	Very high	98.7	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.064	C	C	.	.			trans	-120.1	26.7	178.7	0	0	0	0	0	111.5	V502 D504 K528	A476-V502 HydrophobicContact CB-CG2 4.07Å; A476-D504 WeakPolarHBondContact CA-OD2 3.2Å; A476-D504 HydrophobicContact CB-CB 3.65Å; A476-D504 PolarHBondContact N-OD2 3.04Å; A476-K528 HydrophobicContact CB-CB 3.79Å
477	G	97.6	Very high	98.7	Very high	11 Å²	11	12.3 Å²	12.3	11%	0.113	6%	0.064	C	C	.	.	S	Bend	trans	-77.6	-145.8	174.6	0	0	0	0	0	113.6	G480 C481	G477-G480 PolarHBondContact O-N 3.46Å; G477-C481 WeakPolarHBondContact O-CB 3.25Å; G477-C481 PolarHBondContact O-N 2.8Å; G477-C481 PolarHBondContact O-SG 2.87Å
478	A	98.2	Very high	98.7	Very high	13 Å²	13	12 Å²	12	11%	0.107	6%	0.061	C	C	.	.	H	α-helix	trans	-60.2	-55	-176.6	0	0	0	0	0	112	G480 C481 E482 R515 Q516 T898	A478-G480 VanDerWaalsContact C-N 3.31Å; A478-G480 PolarHBondContact O-N 3.19Å; A478-C481 PolarHBondContact O-N 3.12Å; A478-E482 PolarHBondContact O-N 3.18Å; A478-R515 HydrophobicContact CB-CB 4.41Å; A478-R515 HydrophobicContact CB-CG 3.75Å; A478-Q516 HydrophobicContact CB-CG 4.31Å; A478-T898 VanDerWaalsContact C-CG2 3.41Å; A478-T898 HydrophobicContact CB-CG2 3.75Å; A478-T898 WeakPolarHBondContact O-CG2 3.2Å
479	I	98.7	Very high	98.7	Very high	9 Å²	9	6.4 Å²	6.4	5%	0.046	4%	0.036	C	C	.	.	H	α-helix	trans	-62.1	-40.6	176.4	-64.6	176.6	0	0	0	110.4	C481 E482 L483 A574 T600 T898 V902	I479-C481 PolarHBondContact O-N 3.38Å; I479-E482 PolarHBondContact O-N 2.82Å; I479-L483 HydrophobicContact CG2-CD1 3.73Å; I479-L483 HydrophobicContact CG2-CG 4.22Å; I479-L483 WeakPolarHBondContact O-CB 3.35Å; I479-L483 WeakPolarHBondContact O-CG 3.3Å; I479-L483 PolarHBondContact O-N 2.79Å; I479-A574 HydrophobicContact CB-CB 3.93Å; I479-A574 HydrophobicContact CG2-CB 3.74Å; I479-T600 HydrophobicContact CD1-CG2 4.37Å; I479-T898 HydrophobicContact CG1-CG2 4.06Å; I479-V902 HydrophobicContact CB-CG2 4.31Å; I479-V902 HydrophobicContact CG2-CG2 3.74Å
480	G	98.7	Very high	98.7	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-62.7	-42.8	-178.7	0	0	0	0	0	113.2	G477 A478 L483 L484	G477-G480 PolarHBondContact O-N 3.46Å; A478-G480 VanDerWaalsContact C-N 3.31Å; A478-G480 PolarHBondContact O-N 3.19Å; G480-L483 PolarHBondContact O-N 2.84Å; G480-L484 WeakPolarHBondContact O-CB 3.5Å; G480-L484 WeakPolarHBondContact O-CG 3.36Å; G480-L484 PolarHBondContact O-N 3.49Å
481	C	98.8	Very high	98.7	Very high	0 Å²	0	2.5 Å²	2.5	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-62	-45.4	174.1	-78.2	0	0	0	0	112.5	G477 A478 I479 K485 L518	G477-C481 WeakPolarHBondContact O-CB 3.25Å; G477-C481 PolarHBondContact O-N 2.8Å; G477-C481 PolarHBondContact O-SG 2.87Å; A478-C481 PolarHBondContact O-N 3.12Å; I479-C481 PolarHBondContact O-N 3.38Å; C481-K485 PolarHBondContact O-N 2.86Å; C481-L518 HydrophobicContact CB-CB 4.46Å; C481-L518 HydrophobicContact CB-CD1 3.93Å; C481-L518 HydrophobicContact CB-CG 3.92Å
482	E	98.9	Very high	98.7	Very high	1 Å²	1	2.5 Å²	2.5	1%	0.005	2%	0.019	C	C	.	.	H	α-helix	trans	-65.1	-40	176.7	-76.3	-63.5	156.2	0	0	111.9	K89 A478 I479 K485 N486 T898 V902	K89-E482 IonicContact NZ-OE1 2.66Å; K89-E482 PolarHBondContact NZ-OE1 3.38Å; A478-E482 PolarHBondContact O-N 3.18Å; I479-E482 PolarHBondContact O-N 2.82Å; E482-K485 PolarHBondContact O-N 2.65Å; E482-K485 WeakPolarHBondContact OE2-CE 3.03Å; E482-K485 IonicContact OE2-NZ 3.8Å; E482-K485 PolarHBondContact OE2-NZ 3.27Å; E482-N486 PolarHBondContact O-N 2.83Å; E482-N486 PolarHBondContact O-ND2 3.19Å; E482-T898 HydrophobicContact CG-CG2 3.91Å; E482-V902 HydrophobicContact CB-CB 3.81Å; E482-V902 HydrophobicContact CB-CG1 3.8Å; E482-V902 HydrophobicContact CB-CG2 3.71Å
483	L	98.9	Very high	98.7	Very high	0 Å²	0	2.4 Å²	2.4	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-64	-48.2	176.6	-80.8	169.6	0	0	0	111	L473 I479 G480 K485 N486 F487 A572 A574 V902 V905	L473-L483 HydrophobicContact CD1-CB 4.18Å; L473-L483 HydrophobicContact CD1-CD1 3.51Å; L473-L483 HydrophobicContact CD1-CG 4.49Å; L473-L483 HydrophobicContact CD2-CB 4.48Å; I479-L483 HydrophobicContact CG2-CD1 3.73Å; I479-L483 HydrophobicContact CG2-CG 4.22Å; I479-L483 WeakPolarHBondContact O-CB 3.35Å; I479-L483 WeakPolarHBondContact O-CG 3.3Å; I479-L483 PolarHBondContact O-N 2.79Å; G480-L483 PolarHBondContact O-N 2.84Å; L483-K485 VanDerWaalsContact C-N 3.32Å; L483-K485 PolarHBondContact O-N 3.46Å; L483-N486 CarbonylContact O-C 3.59Å; L483-N486 PolarHBondContact O-N 3.33Å; L483-N486 VanDerWaalsContact O-N 3.13Å; L483-F487 HydrophobicContact CB-CE2 4.35Å; L483-F487 HydrophobicContact CB-CZ 4.24Å; L483-F487 HydrophobicContact CD2-CE1 3.95Å; L483-F487 HydrophobicContact CD2-CZ 3.96Å; L483-F487 WeakPolarHBondContact O-CB 3.26Å; L483-F487 WeakPolarHBondContact O-CD1 3.36Å; L483-F487 WeakPolarHBondContact O-CG 3.45Å; L483-F487 PolarHBondContact O-N 2.79Å; L483-A572 HydrophobicContact CD1-CB 4.19Å; L483-A574 HydrophobicContact CD1-CB 4.27Å; L483-V902 HydrophobicContact CB-CG1 4.49Å; L483-V902 HydrophobicContact CD2-CG1 3.79Å; L483-V902 HydrophobicContact CG-CG1 3.9Å; L483-V902 HydrophobicContact CG-CG2 4.21Å; L483-V905 HydrophobicContact CD2-CG1 3.89Å
484	L	98.9	Very high	98.7	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-60.5	-39.9	177.4	-75.1	173.2	0	0	0	112.2	L473 G480 F487 A488 I500 V502 L518 A532 V536	L473-L484 HydrophobicContact CD2-CD1 4.1Å; L473-L484 HydrophobicContact CD2-CD2 3.72Å; L473-L484 HydrophobicContact CD2-CG 3.5Å; L473-L484 VanDerWaalsContact CD2-CG 3.5Å; G480-L484 WeakPolarHBondContact O-CB 3.5Å; G480-L484 WeakPolarHBondContact O-CG 3.36Å; G480-L484 PolarHBondContact O-N 3.49Å; L484-F487 PolarHBondContact O-N 2.91Å; L484-A488 WeakPolarHBondContact O-CB 3.49Å; L484-A488 PolarHBondContact O-N 3.23Å; L484-I500 HydrophobicContact CD2-CG2 3.99Å; L484-V502 HydrophobicContact CD1-CG2 4.34Å; L484-L518 HydrophobicContact CB-CD1 4.26Å; L484-A532 HydrophobicContact CD1-CB 3.58Å; L484-V536 HydrophobicContact CB-CG1 3.69Å
485	K	98.9	Very high	98.6	Very high	3 Å²	3	4 Å²	4	1%	0.013	3%	0.033	C	C	.	.	H	α-helix	trans	-61.5	-47.4	172.7	171.3	-95.5	-55.1	-165.3	0	111.5	E86 F116 C481 E482 L483 A488 M489 F517 M539	E86-K485 IonicContact OE1-NZ 3.31Å; E86-K485 IonicContact OE2-NZ 3.97Å; E86-K485 PolarHBondContact OE2-NZ 2.76Å; F116-K485 HydrophobicContact CB-CD 4.49Å; F116-K485 HydrophobicContact CB-CG 3.9Å; F116-K485 HydrophobicContact CD1-CD 3.79Å; F116-K485 HydrophobicContact CD1-CG 3.96Å; F116-K485 HydrophobicContact CE1-CD 4.36Å; F116-K485 HydrophobicContact CG-CD 4.31Å; F116-K485 HydrophobicContact CG-CG 3.95Å; C481-K485 PolarHBondContact O-N 2.86Å; E482-K485 PolarHBondContact O-N 2.65Å; E482-K485 WeakPolarHBondContact OE2-CE 3.03Å; E482-K485 IonicContact OE2-NZ 3.8Å; E482-K485 PolarHBondContact OE2-NZ 3.27Å; L483-K485 VanDerWaalsContact C-N 3.32Å; L483-K485 PolarHBondContact O-N 3.46Å; K485-A488 WeakPolarHBondContact O-CB 3.37Å; K485-A488 PolarHBondContact O-N 3.01Å; K485-M489 WeakPolarHBondContact O-CG 3.35Å; K485-M489 PolarHBondContact O-N 3.2Å; K485-F517 HydrophobicContact CB-CE1 4.16Å; K485-F517 HydrophobicContact CB-CZ 3.72Å; K485-F517 HydrophobicContact CG-CZ 3.83Å; K485-M539 HydrophobicContact CB-SD 4.43Å; K485-M539 HydrophobicContact CG-SD 4.32Å
486	N	98.9	Very high	98.5	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-64.6	-42.5	179.1	-80.5	-79.7	0	0	0	111.4	A395 E482 L483 A488 M489 I490 V902 C906	A395-N486 PolarHBondContact O-OD1 3.05Å; E482-N486 PolarHBondContact O-N 2.83Å; E482-N486 PolarHBondContact O-ND2 3.19Å; L483-N486 CarbonylContact O-C 3.59Å; L483-N486 PolarHBondContact O-N 3.33Å; L483-N486 VanDerWaalsContact O-N 3.13Å; N486-A488 VanDerWaalsContact C-N 3.31Å; N486-A488 PolarHBondContact O-N 3.16Å; N486-M489 PolarHBondContact O-N 2.91Å; N486-M489 VanDerWaalsContact O-N 3.12Å; N486-I490 HydrophobicContact CB-CD1 4.44Å; N486-I490 VanDerWaalsContact O-CB 3.32Å; N486-I490 WeakPolarHBondContact O-CB 3.43Å; N486-I490 WeakPolarHBondContact O-CG1 3.43Å; N486-I490 PolarHBondContact O-N 3.15Å; N486-V902 WeakPolarHBondContact ND2-CG1 3.41Å; N486-C906 VanDerWaalsContact CB-SG 3.56Å
487	F	98.9	Very high	98.4	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-58.9	-41.6	175.3	-66.5	-9.3	0	0	0	112.1	L483 L484 M489 I490 G491 L492 I500 A572 L909	L483-F487 HydrophobicContact CB-CE2 4.35Å; L483-F487 HydrophobicContact CB-CZ 4.24Å; L483-F487 HydrophobicContact CD2-CE1 3.95Å; L483-F487 HydrophobicContact CD2-CZ 3.96Å; L483-F487 WeakPolarHBondContact O-CB 3.26Å; L483-F487 WeakPolarHBondContact O-CD1 3.36Å; L483-F487 WeakPolarHBondContact O-CG 3.45Å; L483-F487 PolarHBondContact O-N 2.79Å; L484-F487 PolarHBondContact O-N 2.91Å; F487-M489 PolarHBondContact O-N 2.68Å; F487-I490 PolarHBondContact O-N 3.28Å; F487-G491 PolarHBondContact O-N 3.17Å; F487-L492 HydrophobicContact CB-CB 4.15Å; F487-L492 HydrophobicContact CB-CD2 4.27Å; F487-L492 HydrophobicContact CD1-CD2 3.63Å; F487-L492 HydrophobicContact CD2-CD2 3.94Å; F487-L492 HydrophobicContact CE1-CD2 3.87Å; F487-L492 HydrophobicContact CE2-CD2 4.14Å; F487-L492 HydrophobicContact CG-CB 4.43Å; F487-L492 HydrophobicContact CG-CD2 3.68Å; F487-L492 HydrophobicContact CZ-CD2 4.1Å; F487-L492 PolarHBondContact O-N 3.07Å; F487-L492 VanDerWaalsContact O-N 3.09Å; F487-I500 HydrophobicContact CB-CD1 3.77Å; F487-I500 HydrophobicContact CD2-CD1 3.94Å; F487-I500 HydrophobicContact CD2-CG1 4.5Å; F487-I500 HydrophobicContact CD2-CG2 4.36Å; F487-I500 HydrophobicContact CG-CD1 4.25Å; F487-A572 HydrophobicContact CZ-CB 4.13Å; F487-L909 HydrophobicContact CD1-CD2 4.11Å; F487-L909 HydrophobicContact CE1-CD2 3.76Å
488	A	98.8	Very high	98.4	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-62.1	-40.9	174.9	0	0	0	0	0	112.4	L484 K485 N486 V536 N540 I543	L484-A488 WeakPolarHBondContact O-CB 3.49Å; L484-A488 PolarHBondContact O-N 3.23Å; K485-A488 WeakPolarHBondContact O-CB 3.37Å; K485-A488 PolarHBondContact O-N 3.01Å; N486-A488 VanDerWaalsContact C-N 3.31Å; N486-A488 PolarHBondContact O-N 3.16Å; A488-V536 HydrophobicContact CB-CB 4.31Å; A488-N540 HydrophobicContact CB-CB 4.04Å; A488-N540 WeakPolarHBondContact O-CB 3.33Å; A488-N540 PolarHBondContact O-ND2 2.91Å; A488-I543 HydrophobicContact CB-CD1 3.87Å
489	M	98.9	Very high	98.4	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.005	9%	0.091	C	C	.	.	H	α-helix	trans	-74.6	-38.5	178.7	-63.7	-57.1	92.8	0	0	112.4	F116 A395 K485 N486 F487 G491 M539	F116-M489 HydrophobicContact CB-CE 4.26Å; F116-M489 HydrophobicContact CB-CG 4.33Å; F116-M489 HydrophobicContact CB-SD 3.92Å; A395-M489 HydrophobicContact CB-CB 3.54Å; A395-M489 HydrophobicContact CB-CG 4.24Å; K485-M489 WeakPolarHBondContact O-CG 3.35Å; K485-M489 PolarHBondContact O-N 3.2Å; N486-M489 PolarHBondContact O-N 2.91Å; N486-M489 VanDerWaalsContact O-N 3.12Å; F487-M489 PolarHBondContact O-N 2.68Å; M489-G491 VanDerWaalsContact C-N 3.26Å; M489-G491 PolarHBondContact O-N 3.04Å; M489-M539 HydrophobicContact CE-CB 3.93Å
490	I	98.9	Very high	98.5	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-64.9	-30.7	176.2	-71	168.8	0	0	0	111.8	P396 Q454 Q463 L466 N486 F487 L492 C906 L909 Y910	P396-I490 HydrophobicContact CG-CD1 3.98Å; P396-I490 HydrophobicContact CG-CG1 4.41Å; Q454-I490 PolarHBondContact NE2-O 3.39Å; Q463-I490 PolarHBondContact NE2-O 2.79Å; L466-I490 HydrophobicContact CD1-CG2 3.86Å; L466-I490 HydrophobicContact CD2-CG2 3.8Å; L466-I490 HydrophobicContact CG-CG2 4.31Å; N486-I490 HydrophobicContact CB-CD1 4.44Å; N486-I490 VanDerWaalsContact O-CB 3.32Å; N486-I490 WeakPolarHBondContact O-CB 3.43Å; N486-I490 WeakPolarHBondContact O-CG1 3.43Å; N486-I490 PolarHBondContact O-N 3.15Å; F487-I490 PolarHBondContact O-N 3.28Å; I490-L492 HydrophobicContact CG2-CB 4.35Å; I490-C906 HydrophobicContact CD1-CB 4Å; I490-L909 HydrophobicContact CD1-CD2 4.27Å; I490-Y910 HydrophobicContact CD1-CE1 4.44Å; I490-Y910 HydrophobicContact CG1-CE1 4.35Å; I490-Y910 HydrophobicContact CG2-CE1 4.12Å
491	G	98.8	Very high	98.5	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.01	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.1	22.8	-172.8	0	0	0	0	0	113.5	Y451 G467 F487 M489 C494	Y451-G491 VanDerWaalsContact CE1-CA 3.47Å; G467-G491 WeakPolarHBondContact CA-O 3.44Å; F487-G491 PolarHBondContact O-N 3.17Å; M489-G491 VanDerWaalsContact C-N 3.26Å; M489-G491 PolarHBondContact O-N 3.04Å; G491-C494 VanDerWaalsContact CA-SG 3.54Å; G491-C494 WeakPolarHBondContact O-CB 3.27Å; G491-C494 PolarHBondContact O-N 2.81Å
492	L	98.8	Very high	98.5	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	131.5	177.5	-170.7	76.5	0	0	0	109.9	L466 Q469 Y471 F487 I490 C494 I500 L909	L466-L492 HydrophobicContact CD2-CD1 4.06Å; L466-L492 WeakPolarHBondContact O-CA 3.39Å; Q469-L492 HydrophobicContact CB-CD1 3.42Å; Q469-L492 VanDerWaalsContact CB-CD1 3.42Å; Q469-L492 HydrophobicContact CB-CG 4.16Å; Q469-L492 HydrophobicContact CG-CD1 3.53Å; Y471-L492 HydrophobicContact CD1-CD2 4.48Å; Y471-L492 HydrophobicContact CD2-CD1 4.29Å; Y471-L492 HydrophobicContact CD2-CD2 4.11Å; Y471-L492 HydrophobicContact CE2-CD1 4.46Å; Y471-L492 HydrophobicContact CG-CD2 3.96Å; F487-L492 HydrophobicContact CB-CB 4.15Å; F487-L492 HydrophobicContact CB-CD2 4.27Å; F487-L492 HydrophobicContact CD1-CD2 3.63Å; F487-L492 HydrophobicContact CD2-CD2 3.94Å; F487-L492 HydrophobicContact CE1-CD2 3.87Å; F487-L492 HydrophobicContact CE2-CD2 4.14Å; F487-L492 HydrophobicContact CG-CB 4.43Å; F487-L492 HydrophobicContact CG-CD2 3.68Å; F487-L492 HydrophobicContact CZ-CD2 4.1Å; F487-L492 PolarHBondContact O-N 3.07Å; F487-L492 VanDerWaalsContact O-N 3.09Å; I490-L492 HydrophobicContact CG2-CB 4.35Å; L492-C494 PolarHBondContact O-N 3.23Å; L492-C494 VanDerWaalsContact O-N 3.13Å; L492-C494 PolarHBondContact O-SG 3.17Å; L492-I500 WeakPolarHBondContact O-CD1 3.25Å; L492-L909 HydrophobicContact CD1-CD2 4.46Å; L492-L909 HydrophobicContact CD2-CD2 4.16Å
493	G	98.6	Very high	98.5	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.5	16	178.6	0	0	0	0	0	114.9	L466 G467 Q469 G498 R544	L466-G493 PolarHBondContact O-N 3.11Å; G467-G493 CarbonylContact O-C 3.55Å; G467-G493 WeakPolarHBondContact O-CA 3.49Å; Q469-G493 WeakPolarHBondContact O-CA 3.13Å; G493-G498 CarbonylContact O-C 3.48Å; G493-R544 PolarHBondContact O-N 3.13Å
494	C	98.6	Very high	98.4	Very high	17 Å²	17	16.1 Å²	16.1	12%	0.115	10%	0.095	C	C	.	.			trans	-88.8	-13.7	-178.1	-65.4	0	0	0	0	113.9	G467 G491 L492 H542 I543	G467-C494 PolarHBondContact O-N 3.04Å; G491-C494 VanDerWaalsContact CA-SG 3.54Å; G491-C494 WeakPolarHBondContact O-CB 3.27Å; G491-C494 PolarHBondContact O-N 2.81Å; L492-C494 PolarHBondContact O-N 3.23Å; L492-C494 VanDerWaalsContact O-N 3.13Å; L492-C494 PolarHBondContact O-SG 3.17Å; C494-H542 VanDerWaalsContact CA-O 3.31Å; C494-H542 WeakPolarHBondContact CA-O 3.39Å; C494-H542 HydrophobicContact CB-CB 3.95Å; C494-I543 VanDerWaalsContact SG-CA 3.5Å
495	G	97.5	Very high	98.3	Very high	21 Å²	21	19.6 Å²	19.6	22%	0.216	11%	0.112	C	C	.	.	S	Bend	trans	-88.5	172.3	-179.6	0	0	0	0	0	112.8	G467 G497 G498	G467-G495 VanDerWaalsContact O-CA 3.23Å; G467-G495 WeakPolarHBondContact O-CA 3.46Å; G467-G495 PolarHBondContact O-N 2.95Å; G495-G497 PolarHBondContact O-N 2.88Å; G495-G498 PolarHBondContact O-N 3.4Å; G495-G498 VanDerWaalsContact O-N 3.14Å
496	E	96.8	Very high	98.1	Very high	168 Å²	168	21.8 Å²	21.8	79%	0.785	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	127.3	170.5	-171	173.8	-170.4	0	0	110.4	G498	E496-G498 VanDerWaalsContact C-N 3.33Å
497	G	95.1	Very high	97.9	Very high	38 Å²	38	24.9 Å²	24.9	39%	0.392	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.4	-3.3	-174.1	0	0	0	0	0	114.8	K470 G495	K470-G497 WeakPolarHBondContact CE-O 3.31Å; K470-G497 PolarHBondContact NZ-O 2.78Å; G495-G497 PolarHBondContact O-N 2.88Å
498	G	98.5	Very high	97.8	Very high	5 Å²	5	25 Å²	25	5%	0.052	14%	0.144	C	C	.	.			trans	-90.7	151.8	170	0	0	0	0	0	113.1	G467 Q469 G493 G495 E496	G467-G498 WeakPolarHBondContact O-CA 3.34Å; Q469-G498 VanDerWaalsContact O-CA 3.24Å; Q469-G498 WeakPolarHBondContact O-CA 3.35Å; G493-G498 CarbonylContact O-C 3.48Å; G495-G498 PolarHBondContact O-N 3.4Å; G495-G498 VanDerWaalsContact O-N 3.14Å; E496-G498 VanDerWaalsContact C-N 3.33Å
499	E	98.7	Very high	97.6	Very high	58 Å²	58	27.4 Å²	27.4	27%	0.271	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	142.5	178.2	-172.8	171.6	-160.1	0	0	111.4	Q469 K470 Y471 I501 T546	Q469-E499 PolarHBondContact O-N 3.17Å; K470-E499 CarbonylContact C-O 3.52Å; K470-E499 VanDerWaalsContact CA-O 3.23Å; K470-E499 WeakPolarHBondContact CA-O 3.43Å; K470-E499 HydrophobicContact CG-CB 4.34Å; Y471-E499 PolarHBondContact N-O 2.9Å; E499-I501 HydrophobicContact CG-CG1 4.01Å; E499-T546 WeakPolarHBondContact OE1-CB 3.15Å; E499-T546 PolarHBondContact OE1-OG1 2.91Å
500	I	98.9	Very high	97.4	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	122.7	167.6	-63.5	167.4	0	0	0	107.9	Y471 L484 F487 L492 I543 R544 V545 T546	Y471-I500 WeakPolarHBondContact O-CA 3.35Å; L484-I500 HydrophobicContact CD2-CG2 3.99Å; F487-I500 HydrophobicContact CB-CD1 3.77Å; F487-I500 HydrophobicContact CD2-CD1 3.94Å; F487-I500 HydrophobicContact CD2-CG1 4.5Å; F487-I500 HydrophobicContact CD2-CG2 4.36Å; F487-I500 HydrophobicContact CG-CD1 4.25Å; L492-I500 WeakPolarHBondContact O-CD1 3.25Å; I500-I543 HydrophobicContact CD1-CD1 3.66Å; I500-I543 HydrophobicContact CD1-CG1 3.84Å; I500-R544 PolarHBondContact N-O 3.13Å; I500-V545 HydrophobicContact CB-CG2 4.27Å; I500-V545 HydrophobicContact CG2-CG1 4.45Å; I500-V545 CarbonylContact O-C 3.47Å; I500-V545 VanDerWaalsContact O-CA 3.23Å; I500-V545 WeakPolarHBondContact O-CA 3.24Å; I500-T546 PolarHBondContact O-N 2.84Å
501	I	98.9	Very high	97.1	Very high	11 Å²	11	32.2 Å²	32.2	6%	0.056	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	118.8	174.6	-55	178.5	0	0	0	107.2	Y471 F472 L473 E499 T546 F564	Y471-I501 PolarHBondContact O-N 2.7Å; F472-I501 CarbonylContact C-O 3.44Å; F472-I501 WeakPolarHBondContact CA-O 3.28Å; F472-I501 HydrophobicContact CD2-CB 4.02Å; F472-I501 HydrophobicContact CD2-CG2 3.94Å; F472-I501 WeakPolarHBondContact CD2-O 3.46Å; F472-I501 HydrophobicContact CE2-CG2 4.12Å; L473-I501 PolarHBondContact N-O 3.1Å; E499-I501 HydrophobicContact CG-CG1 4.01Å; I501-T546 CarbonylContact C-O 3.58Å; I501-T546 WeakPolarHBondContact CA-O 3.34Å; I501-F564 HydrophobicContact CD1-CD2 4.28Å; I501-F564 HydrophobicContact CD1-CE2 3.42Å; I501-F564 VanDerWaalsContact CD1-CE2 3.42Å; I501-F564 HydrophobicContact CD1-CZ 4Å; I501-F564 HydrophobicContact CG2-CE2 4.11Å; I501-F564 HydrophobicContact CG2-CZ 4.21Å
502	V	98.9	Very high	97	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	133	176.6	59.6	0	0	0	0	110	L473 A476 L484 V545 T546 S547 H548	L473-V502 HydrophobicContact CB-CB 4.33Å; L473-V502 HydrophobicContact CB-CG2 4.36Å; L473-V502 HydrophobicContact CD2-CB 4.29Å; L473-V502 HydrophobicContact CD2-CG2 3.84Å; L473-V502 HydrophobicContact CG-CG2 4.1Å; L473-V502 WeakPolarHBondContact O-CA 3.23Å; A476-V502 HydrophobicContact CB-CG2 4.07Å; L484-V502 HydrophobicContact CD1-CG2 4.34Å; V502-V545 HydrophobicContact CG1-CG1 3.73Å; V502-T546 PolarHBondContact N-O 2.96Å; V502-S547 CarbonylContact O-C 3.4Å; V502-S547 WeakPolarHBondContact O-CA 3.4Å; V502-H548 PolarHBondContact O-N 3.12Å
503	T	98.8	Very high	97	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.012	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	135.4	176.1	-167.2	0	0	0	0	111.9	F472 L473 V474 G475 H548 N550 V552 Y560	F472-T503 HydrophobicContact CE2-CG2 3.49Å; F472-T503 VanDerWaalsContact CE2-CG2 3.49Å; F472-T503 HydrophobicContact CZ-CG2 3.55Å; L473-T503 PolarHBondContact O-N 2.92Å; L473-T503 VanDerWaalsContact O-N 3.1Å; V474-T503 HydrophobicContact CG1-CG2 4.38Å; G475-T503 WeakPolarHBondContact CA-O 3.42Å; G475-T503 PolarHBondContact N-O 3Å; T503-H548 WeakPolarHBondContact CA-O 3.42Å; T503-N550 PolarHBondContact OG1-N 3.45Å; T503-N550 PolarHBondContact OG1-O 3.26Å; T503-V552 HydrophobicContact CG2-CG2 3.37Å; T503-Y560 WeakPolarHBondContact CB-OH 3.26Å; T503-Y560 PolarHBondContact OG1-OH 2.94Å
504	D	98.2	Very high	97	Very high	14 Å²	14	33.2 Å²	33.2	8%	0.075	18%	0.181	C	C	.	.			trans	-158.1	131.7	173.1	-163.1	-38.4	0	0	0	108.7	A476 D506 K528 H548 Q549	A476-D504 WeakPolarHBondContact CA-OD2 3.2Å; A476-D504 HydrophobicContact CB-CB 3.65Å; A476-D504 PolarHBondContact N-OD2 3.04Å; D504-D506 WeakPolarHBondContact OD1-CB 3.12Å; D504-D506 PolarHBondContact OD1-N 3.08Å; D504-K528 HydrophobicContact CB-CB 4.45Å; D504-H548 PolarHBondContact N-O 3.1Å; D504-Q549 VanDerWaalsContact O-CA 3.29Å; D504-Q549 WeakPolarHBondContact O-CA 3.32Å
505	M	95.4	Very high	96.9	Very high	72 Å²	72	33.6 Å²	33.6	36%	0.355	18%	0.18	S	C	.	.			trans	-83.7	-14.5	179.3	68.9	-78.7	159.9	0	0	113.3	R551	M505-R551 HydrophobicContact CB-CB 4.21Å; M505-R551 HydrophobicContact CG-CB 4.17Å; M505-R551 HydrophobicContact SD-CB 4Å; M505-R551 HydrophobicContact SD-CG 4Å
506	D	94.8	Very high	97	Very high	49 Å²	49	32.9 Å²	32.9	26%	0.262	17%	0.171	S	C	.	.	P	Polyproline II helix	trans	-81.5	151.1	-172.1	-71.3	-9.3	0	0	0	112.7	D504 K528	D504-D506 WeakPolarHBondContact OD1-CB 3.12Å; D504-D506 PolarHBondContact OD1-N 3.08Å; D506-K528 HydrophobicContact CB-CD 3.87Å; D506-K528 PolarHBondContact O-N 3.37Å; D506-K528 VanDerWaalsContact O-N 3.14Å; D506-K528 IonicContact OD2-NZ 3.97Å; D506-K528 PolarHBondContact OD2-NZ 3.47Å
507	T	95.7	Very high	97.1	Very high	66 Å²	66	25 Å²	25	41%	0.405	13%	0.134	S	C	.	.	B	Isolated β-bridge	trans	-89.5	159.3	165.5	56.4	0	0	0	0	111.8	K526 L527 K528	T507-K526 CarbonylContact C-O 3.6Å; T507-K526 VanDerWaalsContact CA-O 3.22Å; T507-K526 WeakPolarHBondContact CA-O 3.45Å; T507-L527 HydrophobicContact CG2-CD2 4.31Å; T507-K528 VanDerWaalsContact O-CE 3.31Å; T507-K528 WeakPolarHBondContact O-CE 3.39Å
508	I	97.2	Very high	97.3	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.01	12%	0.118	C	C	.	.	P	Polyproline II helix	trans	-74.8	129	177.4	-61.8	162.6	0	0	0	110.2	L513 F519 D523 V524 T525 K526 K528 T531	I508-L513 HydrophobicContact CG2-CD2 4.17Å; I508-F519 HydrophobicContact CD1-CB 4.09Å; I508-F519 HydrophobicContact CD1-CD1 3.53Å; I508-F519 HydrophobicContact CD1-CD2 4.01Å; I508-F519 HydrophobicContact CD1-CE1 3.93Å; I508-F519 HydrophobicContact CD1-CE2 4.36Å; I508-F519 HydrophobicContact CD1-CG 3.6Å; I508-F519 HydrophobicContact CD1-CZ 4.34Å; I508-F519 HydrophobicContact CG1-CD1 4.2Å; I508-F519 HydrophobicContact CG1-CD2 3.79Å; I508-F519 HydrophobicContact CG1-CE1 4.39Å; I508-F519 HydrophobicContact CG1-CE2 4Å; I508-F519 HydrophobicContact CG1-CG 3.92Å; I508-F519 HydrophobicContact CG1-CZ 4.31Å; I508-F519 HydrophobicContact CG2-CB 4.06Å; I508-F519 HydrophobicContact CG2-CD2 4.1Å; I508-F519 HydrophobicContact CG2-CG 4.22Å; I508-D523 HydrophobicContact CD1-CB 3.76Å; I508-V524 HydrophobicContact CG2-CG2 4.49Å; I508-V524 WeakPolarHBondContact O-CA 3.43Å; I508-T525 PolarHBondContact O-N 3.28Å; I508-K526 HydrophobicContact CD1-CB 4.46Å; I508-K526 PolarHBondContact N-O 2.74Å; I508-K528 HydrophobicContact CG1-CB 4.42Å; I508-K528 HydrophobicContact CG1-CG 3.73Å; I508-T531 HydrophobicContact CD1-CG2 3.86Å
509	E	93.4	Very high	97.3	Very high	51 Å²	51	23.5 Å²	23.5	24%	0.238	12%	0.116	C	C	.	.			trans	-109.5	162.5	174	-62.3	166.5	-160.3	0	0	112.2	S511 N512	E509-S511 VanDerWaalsContact C-N 3.3Å; E509-S511 PolarHBondContact O-N 2.98Å; E509-S511 PolarHBondContact OE2-OG 2.86Å; E509-N512 PolarHBondContact N-OD1 3.05Å; E509-N512 VanDerWaalsContact O-CB 3.23Å; E509-N512 WeakPolarHBondContact O-CB 3.44Å; E509-N512 PolarHBondContact O-N 3.03Å; E509-N512 VanDerWaalsContact O-N 3.1Å
510	K	95.1	Very high	97.2	Very high	98 Å²	98	22 Å²	22	43%	0.426	11%	0.108	S	C	.	.	G	3₁₀ helix	trans	-57.3	-41.4	176.6	-170.3	-176.5	-179.2	-166.3	0	112.8	D51 N512 L513	D51-K510 IonicContact OD1-NZ 3.83Å; D51-K510 PolarHBondContact OD1-NZ 3.48Å; D51-K510 WeakPolarHBondContact OD2-CE 3.42Å; D51-K510 IonicContact OD2-NZ 3.85Å; D51-K510 PolarHBondContact OD2-NZ 2.94Å; K510-N512 PolarHBondContact O-N 2.93Å; K510-N512 VanDerWaalsContact O-N 3.15Å; K510-L513 WeakPolarHBondContact O-CG 3.49Å; K510-L513 PolarHBondContact O-N 3.43Å
511	S	93.8	Very high	97.2	Very high	4 Å²	4	25.6 Å²	25.6	3%	0.028	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-65.4	-15.7	-179.3	77.7	0	0	0	0	113.7	G53 E509 R515	G53-S511 WeakPolarHBondContact O-CA 3.43Å; G53-S511 PolarHBondContact O-N 3.47Å; E509-S511 VanDerWaalsContact C-N 3.3Å; E509-S511 PolarHBondContact O-N 2.98Å; E509-S511 PolarHBondContact OE2-OG 2.86Å; S511-R515 PolarHBondContact O-NH1 3.39Å
512	N	96.5	Very high	97.1	Very high	6 Å²	6	32.5 Å²	32.5	3%	0.032	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-79.5	-33.6	-178.1	-64.8	174.3	0	0	0	111.7	E509 K510 N514 R515 Q516 K528	E509-N512 PolarHBondContact N-OD1 3.05Å; E509-N512 VanDerWaalsContact O-CB 3.23Å; E509-N512 WeakPolarHBondContact O-CB 3.44Å; E509-N512 PolarHBondContact O-N 3.03Å; E509-N512 VanDerWaalsContact O-N 3.1Å; K510-N512 PolarHBondContact O-N 2.93Å; K510-N512 VanDerWaalsContact O-N 3.15Å; N512-N514 PolarHBondContact O-N 2.88Å; N512-N514 VanDerWaalsContact O-N 3.1Å; N512-R515 PolarHBondContact O-N 3.22Å; N512-Q516 HydrophobicContact CB-CB 4.49Å; N512-Q516 HydrophobicContact CB-CG 4.39Å; N512-Q516 WeakPolarHBondContact O-CB 3.32Å; N512-Q516 PolarHBondContact O-N 2.82Å; N512-K528 VanDerWaalsContact OD1-CE 3.25Å; N512-K528 WeakPolarHBondContact OD1-CE 3.24Å
513	L	98	Very high	97.1	Very high	13 Å²	13	33.2 Å²	33.2	7%	0.068	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-27.7	-171.6	-56.8	177.8	0	0	0	113.4	L54 L93 I508 K510 R515 F519 P521 V524	L54-L513 HydrophobicContact CD1-CB 3.81Å; L93-L513 WeakPolarHBondContact CD2-O 3.45Å; I508-L513 HydrophobicContact CG2-CD2 4.17Å; K510-L513 WeakPolarHBondContact O-CG 3.49Å; K510-L513 PolarHBondContact O-N 3.43Å; L513-R515 PolarHBondContact O-N 2.74Å; L513-F519 HydrophobicContact CD2-CB 3.77Å; L513-P521 HydrophobicContact CD1-CB 4.28Å; L513-P521 HydrophobicContact CD1-CG 4.08Å; L513-V524 HydrophobicContact CD1-CG2 4.46Å
514	N	97.9	Very high	96.9	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.011	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-20.3	177.9	167.4	-102.4	0	0	0	114.2	L54 Y55 Q58 L93 N512	L54-N514 HydrophobicContact CD1-CB 4.35Å; L54-N514 WeakPolarHBondContact O-CB 3.45Å; Y55-N514 WeakPolarHBondContact CD1-ND2 3.34Å; Q58-N514 WeakPolarHBondContact CB-OD1 3.32Å; Q58-N514 PolarHBondContact OE1-ND2 3.07Å; L93-N514 WeakPolarHBondContact CB-O 3.49Å; L93-N514 PolarHBondContact O-ND2 2.94Å; N512-N514 PolarHBondContact O-N 2.88Å; N512-N514 VanDerWaalsContact O-N 3.1Å
515	R	98.1	Very high	96.7	Very high	25 Å²	25	40.3 Å²	40.3	9%	0.094	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137.3	-10.9	-179.9	66.7	-171	174.2	-67.4	-5.5	114.9	R57 A478 S511 N512 L513 A895	R57-R515 VanDerWaalsContact CG-NH1 3.3Å; A478-R515 HydrophobicContact CB-CB 4.41Å; A478-R515 HydrophobicContact CB-CG 3.75Å; S511-R515 PolarHBondContact O-NH1 3.39Å; N512-R515 PolarHBondContact O-N 3.22Å; L513-R515 PolarHBondContact O-N 2.74Å; R515-A895 HydrophobicContact CB-CB 4.21Å
516	Q	98.4	Very high	96.8	Very high	6 Å²	6	41.5 Å²	41.5	3%	0.028	21%	0.207	C	C	.	.			trans	-104.3	67.6	179.9	-63.1	174.6	20.6	0	0	109.2	A478 N512 L518 F519	A478-Q516 HydrophobicContact CB-CG 4.31Å; N512-Q516 HydrophobicContact CB-CB 4.49Å; N512-Q516 HydrophobicContact CB-CG 4.39Å; N512-Q516 WeakPolarHBondContact O-CB 3.32Å; N512-Q516 PolarHBondContact O-N 2.82Å; Q516-L518 PolarHBondContact O-N 3.39Å; Q516-F519 HydrophobicContact CB-CD2 3.5Å; Q516-F519 VanDerWaalsContact CB-CD2 3.5Å; Q516-F519 HydrophobicContact CB-CE2 3.73Å; Q516-F519 HydrophobicContact CB-CG 4.48Å; Q516-F519 HydrophobicContact CG-CD2 4.48Å; Q516-F519 HydrophobicContact CG-CE2 4.36Å; Q516-F519 PolarHBondContact O-N 2.73Å
517	F	98.6	Very high	97	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.009	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-8.7	-164.9	84.9	-83.1	0	0	0	115.3	K89 L93 F116 L138 K485 F519 R520 M539	K89-F517 HydrophobicContact CD-CB 4.16Å; K89-F517 HydrophobicContact CD-CD1 3.86Å; K89-F517 HydrophobicContact CD-CD2 3.69Å; K89-F517 HydrophobicContact CD-CE1 4.17Å; K89-F517 HydrophobicContact CD-CE2 4Å; K89-F517 HydrophobicContact CD-CG 3.61Å; K89-F517 HydrophobicContact CD-CZ 4.24Å; K89-F517 HydrophobicContact CG-CB 4.47Å; K89-F517 HydrophobicContact CG-CD2 4.47Å; K89-F517 HydrophobicContact CG-CG 4.39Å; L93-F517 HydrophobicContact CD1-CB 3.79Å; F116-F517 HydrophobicContact CD2-CE2 4.13Å; F116-F517 HydrophobicContact CE2-CE2 4.02Å; L138-F517 HydrophobicContact CD2-CB 3.9Å; L138-F517 HydrophobicContact CD2-CD2 4.21Å; K485-F517 HydrophobicContact CB-CE1 4.16Å; K485-F517 HydrophobicContact CB-CZ 3.72Å; K485-F517 HydrophobicContact CG-CZ 3.83Å; F517-F519 PolarHBondContact O-N 3.12Å; F517-R520 PolarHBondContact O-NH1 2.96Å; F517-M539 HydrophobicContact CE2-CE 3.72Å; F517-M539 HydrophobicContact CZ-CE 4.1Å
518	L	98.7	Very high	97.2	Very high	8 Å²	8	38.3 Å²	38.3	4%	0.042	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-16.3	172	-62.8	-175.4	0	0	0	112.4	C481 L484 Q516 A532 A535 V536 M539	C481-L518 HydrophobicContact CB-CB 4.46Å; C481-L518 HydrophobicContact CB-CD1 3.93Å; C481-L518 HydrophobicContact CB-CG 3.92Å; L484-L518 HydrophobicContact CB-CD1 4.26Å; Q516-L518 PolarHBondContact O-N 3.39Å; L518-A532 HydrophobicContact CD1-CB 3.91Å; L518-A535 HydrophobicContact CB-CB 4Å; L518-A535 HydrophobicContact CD2-CB 4.1Å; L518-A535 HydrophobicContact CG-CB 4.48Å; L518-V536 HydrophobicContact CD1-CG1 3.76Å; L518-V536 HydrophobicContact CD2-CG1 4.19Å; L518-M539 HydrophobicContact CD2-CE 3.33Å; L518-M539 HydrophobicContact CD2-SD 4.19Å
519	F	98.7	Very high	97.2	Very high	5 Å²	5	38.2 Å²	38.2	2%	0.022	19%	0.187	C	C	.	.			trans	-99.8	156.7	-177.8	-51.1	-33.6	0	0	0	111.4	I508 L513 Q516 F517 K528 T531 A532	I508-F519 HydrophobicContact CD1-CB 4.09Å; I508-F519 HydrophobicContact CD1-CD1 3.53Å; I508-F519 HydrophobicContact CD1-CD2 4.01Å; I508-F519 HydrophobicContact CD1-CE1 3.93Å; I508-F519 HydrophobicContact CD1-CE2 4.36Å; I508-F519 HydrophobicContact CD1-CG 3.6Å; I508-F519 HydrophobicContact CD1-CZ 4.34Å; I508-F519 HydrophobicContact CG1-CD1 4.2Å; I508-F519 HydrophobicContact CG1-CD2 3.79Å; I508-F519 HydrophobicContact CG1-CE1 4.39Å; I508-F519 HydrophobicContact CG1-CE2 4Å; I508-F519 HydrophobicContact CG1-CG 3.92Å; I508-F519 HydrophobicContact CG1-CZ 4.31Å; I508-F519 HydrophobicContact CG2-CB 4.06Å; I508-F519 HydrophobicContact CG2-CD2 4.1Å; I508-F519 HydrophobicContact CG2-CG 4.22Å; L513-F519 HydrophobicContact CD2-CB 3.77Å; Q516-F519 HydrophobicContact CB-CD2 3.5Å; Q516-F519 VanDerWaalsContact CB-CD2 3.5Å; Q516-F519 HydrophobicContact CB-CE2 3.73Å; Q516-F519 HydrophobicContact CB-CG 4.48Å; Q516-F519 HydrophobicContact CG-CD2 4.48Å; Q516-F519 HydrophobicContact CG-CE2 4.36Å; Q516-F519 PolarHBondContact O-N 2.73Å; F517-F519 PolarHBondContact O-N 3.12Å; F519-K528 WeakPolarHBondContact CE1-O 2.88Å; F519-K528 HydrophobicContact CE2-CB 4.16Å; F519-K528 HydrophobicContact CE2-CD 4.47Å; F519-K528 HydrophobicContact CE2-CG 3.93Å; F519-K528 HydrophobicContact CZ-CB 3.8Å; F519-K528 HydrophobicContact CZ-CG 4.09Å; F519-K528 WeakPolarHBondContact CZ-O 3.45Å; F519-T531 HydrophobicContact CD1-CG2 3.74Å; F519-T531 HydrophobicContact CE1-CG2 4.18Å; F519-A532 HydrophobicContact CE1-CB 3.77Å; F519-A532 HydrophobicContact CZ-CB 4.09Å
520	R	98.4	Very high	97.5	Very high	27 Å²	27	39 Å²	39	10%	0.102	19%	0.193	C	C	.	.			trans	-127.3	164.9	178	-61.6	-74	178.8	-85.3	4.9	110.7	E137 F517 W522 D523	E137-R520 IonicContact OE2-CZ 2.74Å; E137-R520 IonicContact OE2-NE 3.61Å; E137-R520 PolarHBondContact OE2-NE 3.25Å; E137-R520 IonicContact OE2-NH2 3.32Å; F517-R520 PolarHBondContact O-NH1 2.96Å; R520-W522 HydrophobicContact CB-CD2 3.65Å; R520-W522 HydrophobicContact CB-CE3 4.23Å; R520-W522 HydrophobicContact CB-CG 4.09Å; R520-W522 HydrophobicContact CB-CH2 4.06Å; R520-W522 HydrophobicContact CB-CZ2 3.45Å; R520-W522 VanDerWaalsContact CB-CZ2 3.45Å; R520-W522 HydrophobicContact CB-CZ3 4.4Å; R520-W522 VanDerWaalsContact CB-NE1 3.31Å; R520-W522 HydrophobicContact CG-CD2 4.49Å; R520-W522 HydrophobicContact CG-CH2 4.12Å; R520-W522 HydrophobicContact CG-CZ2 3.37Å; R520-W522 PolarHBondContact O-N 3.34Å; R520-W522 VanDerWaalsContact O-N 3.1Å; R520-D523 WeakPolarHBondContact CB-OD2 3.43Å; R520-D523 PolarHBondContact N-OD2 2.83Å; R520-D523 WeakPolarHBondContact O-CB 3.46Å; R520-D523 PolarHBondContact O-N 3.46Å
521	P	97.3	Very high	97.6	Very high	74 Å²	74	35.2 Å²	35.2	48%	0.481	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-54.8	-30.1	177.5	-27.2	35.3	0	0	0	114.5	L513 D523 V524	L513-P521 HydrophobicContact CD1-CB 4.28Å; L513-P521 HydrophobicContact CD1-CG 4.08Å; P521-D523 VanDerWaalsContact C-N 3.28Å; P521-D523 PolarHBondContact O-N 3.33Å; P521-V524 WeakPolarHBondContact O-CG2 3.34Å
522	W	97.9	Very high	97.9	Very high	157 Å²	157	35 Å²	35	60%	0.595	18%	0.176	S	C	*	.	G	3₁₀ helix	trans	-81.9	0.4	176.9	50.4	77.1	0	0	0	114.6	R520 K526	R520-W522 HydrophobicContact CB-CD2 3.65Å; R520-W522 HydrophobicContact CB-CE3 4.23Å; R520-W522 HydrophobicContact CB-CG 4.09Å; R520-W522 HydrophobicContact CB-CH2 4.06Å; R520-W522 HydrophobicContact CB-CZ2 3.45Å; R520-W522 VanDerWaalsContact CB-CZ2 3.45Å; R520-W522 HydrophobicContact CB-CZ3 4.4Å; R520-W522 VanDerWaalsContact CB-NE1 3.31Å; R520-W522 HydrophobicContact CG-CD2 4.49Å; R520-W522 HydrophobicContact CG-CH2 4.12Å; R520-W522 HydrophobicContact CG-CZ2 3.37Å; R520-W522 PolarHBondContact O-N 3.34Å; R520-W522 VanDerWaalsContact O-N 3.1Å; W522-K526 WeakPolarHBondContact O-CE 3.21Å; W522-K526 PolarHBondContact O-NZ 3.04Å
523	D	98.2	Very high	98	Very high	15 Å²	15	34.7 Å²	34.7	8%	0.08	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-99.9	-5.1	175.5	-59.1	-41.3	0	0	0	113.2	I508 R520 P521 T525 K526 T531	I508-D523 HydrophobicContact CD1-CB 3.76Å; R520-D523 WeakPolarHBondContact CB-OD2 3.43Å; R520-D523 PolarHBondContact N-OD2 2.83Å; R520-D523 WeakPolarHBondContact O-CB 3.46Å; R520-D523 PolarHBondContact O-N 3.46Å; P521-D523 VanDerWaalsContact C-N 3.28Å; P521-D523 PolarHBondContact O-N 3.33Å; D523-T525 PolarHBondContact O-N 2.78Å; D523-K526 HydrophobicContact CB-CD 4.21Å; D523-K526 VanDerWaalsContact O-CB 3.23Å; D523-K526 WeakPolarHBondContact O-CB 3.49Å; D523-K526 WeakPolarHBondContact O-CG 3.45Å; D523-K526 PolarHBondContact O-N 2.64Å; D523-K526 IonicContact OD1-NZ 2.72Å; D523-K526 PolarHBondContact OD1-NZ 3.29Å; D523-T531 HydrophobicContact CB-CG2 3.93Å
524	V	95.1	Very high	98	Very high	50 Å²	50	36.3 Å²	36.3	30%	0.303	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	138.8	174.5	177	0	0	0	0	109.7	I508 L513 P521 K526	I508-V524 HydrophobicContact CG2-CG2 4.49Å; I508-V524 WeakPolarHBondContact O-CA 3.43Å; L513-V524 HydrophobicContact CD1-CG2 4.46Å; P521-V524 WeakPolarHBondContact O-CG2 3.34Å; V524-K526 VanDerWaalsContact C-N 3.29Å; V524-K526 PolarHBondContact O-N 3.28Å
525	T	94.1	Very high	98.1	Very high	114 Å²	114	37.1 Å²	37.1	70%	0.699	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.3	-7.6	-170.7	74.8	0	0	0	0	117	I508 D523	I508-T525 PolarHBondContact O-N 3.28Å; D523-T525 PolarHBondContact O-N 2.78Å
526	K	98.2	Very high	98.1	Very high	97 Å²	97	35.9 Å²	35.9	42%	0.422	19%	0.192	S	C	.	.	S	Bend	trans	-81.7	161.9	170.5	-55.5	179.5	-167.2	163.6	0	110.9	T507 I508 W522 D523 V524	T507-K526 CarbonylContact C-O 3.6Å; T507-K526 VanDerWaalsContact CA-O 3.22Å; T507-K526 WeakPolarHBondContact CA-O 3.45Å; I508-K526 HydrophobicContact CD1-CB 4.46Å; I508-K526 PolarHBondContact N-O 2.74Å; W522-K526 WeakPolarHBondContact O-CE 3.21Å; W522-K526 PolarHBondContact O-NZ 3.04Å; D523-K526 HydrophobicContact CB-CD 4.21Å; D523-K526 VanDerWaalsContact O-CB 3.23Å; D523-K526 WeakPolarHBondContact O-CB 3.49Å; D523-K526 WeakPolarHBondContact O-CG 3.45Å; D523-K526 PolarHBondContact O-N 2.64Å; D523-K526 IonicContact OD1-NZ 2.72Å; D523-K526 PolarHBondContact OD1-NZ 3.29Å; V524-K526 VanDerWaalsContact C-N 3.29Å; V524-K526 PolarHBondContact O-N 3.28Å
527	L	98.1	Very high	98.1	Very high	37 Å²	37	40.3 Å²	40.3	19%	0.194	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-68.6	136.1	175.2	-66.2	171.1	0	0	0	111.2	T507 D530 T531 Q549	T507-L527 HydrophobicContact CG2-CD2 4.31Å; L527-D530 HydrophobicContact CB-CB 4.29Å; L527-D530 WeakPolarHBondContact CD1-OD2 3.34Å; L527-T531 WeakPolarHBondContact O-CB 3.4Å; L527-T531 PolarHBondContact O-N 3Å; L527-T531 PolarHBondContact O-OG1 3.23Å; L527-Q549 HydrophobicContact CD1-CB 4.01Å; L527-Q549 HydrophobicContact CD2-CB 4.38Å
528	K	98.7	Very high	98.1	Very high	11 Å²	11	45.6 Å²	45.6	5%	0.048	23%	0.233	C	C	.	.	H	α-helix	trans	-61.8	-48.6	180	-70.5	179	-172.8	159.5	0	111.9	A476 D504 D506 T507 I508 N512 F519 T531 A532	A476-K528 HydrophobicContact CB-CB 3.79Å; D504-K528 HydrophobicContact CB-CB 4.45Å; D506-K528 HydrophobicContact CB-CD 3.87Å; D506-K528 PolarHBondContact O-N 3.37Å; D506-K528 VanDerWaalsContact O-N 3.14Å; D506-K528 IonicContact OD2-NZ 3.97Å; D506-K528 PolarHBondContact OD2-NZ 3.47Å; T507-K528 VanDerWaalsContact O-CE 3.31Å; T507-K528 WeakPolarHBondContact O-CE 3.39Å; I508-K528 HydrophobicContact CG1-CB 4.42Å; I508-K528 HydrophobicContact CG1-CG 3.73Å; N512-K528 VanDerWaalsContact OD1-CE 3.25Å; N512-K528 WeakPolarHBondContact OD1-CE 3.24Å; F519-K528 WeakPolarHBondContact CE1-O 2.88Å; F519-K528 HydrophobicContact CE2-CB 4.16Å; F519-K528 HydrophobicContact CE2-CD 4.47Å; F519-K528 HydrophobicContact CE2-CG 3.93Å; F519-K528 HydrophobicContact CZ-CB 3.8Å; F519-K528 HydrophobicContact CZ-CG 4.09Å; F519-K528 WeakPolarHBondContact CZ-O 3.45Å; K528-T531 PolarHBondContact O-N 3.45Å; K528-A532 VanDerWaalsContact O-CB 3.23Å; K528-A532 WeakPolarHBondContact O-CB 3.43Å; K528-A532 PolarHBondContact O-N 2.98Å
529	S	98.6	Very high	98.1	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61.9	-48.7	-175.8	53.4	0	0	0	0	112.8	A532 A533 H548	S529-A532 PolarHBondContact O-N 3.29Å; S529-A533 WeakPolarHBondContact O-CB 3.46Å; S529-A533 PolarHBondContact O-N 2.92Å; S529-H548 VanDerWaalsContact CB-O 3.27Å; S529-H548 WeakPolarHBondContact CB-O 3.41Å; S529-H548 PolarHBondContact OG-O 3.03Å
530	D	98.7	Very high	98.1	Very high	69 Å²	69	45.4 Å²	45.4	37%	0.369	23%	0.232	S	C	.	.	H	α-helix	trans	-61.7	-46.3	178.5	-72.1	-15.4	0	0	0	112.3	L527 A533 A534 S547	L527-D530 HydrophobicContact CB-CB 4.29Å; L527-D530 WeakPolarHBondContact CD1-OD2 3.34Å; D530-A533 PolarHBondContact O-N 2.92Å; D530-A534 PolarHBondContact O-N 2.98Å; D530-S547 WeakPolarHBondContact OD1-CB 3.48Å; D530-S547 PolarHBondContact OD1-OG 3.34Å
531	T	98.8	Very high	98.1	Very high	17 Å²	17	48.4 Å²	48.4	10%	0.104	26%	0.255	C	S	.	.	H	α-helix	trans	-66	-42.5	-179.4	-51	0	0	0	0	110.9	I508 F519 D523 L527 K528 A534 A535	I508-T531 HydrophobicContact CD1-CG2 3.86Å; F519-T531 HydrophobicContact CD1-CG2 3.74Å; F519-T531 HydrophobicContact CE1-CG2 4.18Å; D523-T531 HydrophobicContact CB-CG2 3.93Å; L527-T531 WeakPolarHBondContact O-CB 3.4Å; L527-T531 PolarHBondContact O-N 3Å; L527-T531 PolarHBondContact O-OG1 3.23Å; K528-T531 PolarHBondContact O-N 3.45Å; T531-A534 PolarHBondContact O-N 2.9Å; T531-A535 PolarHBondContact O-N 3.33Å
532	A	98.8	Very high	98.1	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-64.3	-43.9	178.7	0	0	0	0	0	111.2	L484 L518 F519 K528 S529 A534 A535 V536	L484-A532 HydrophobicContact CD1-CB 3.58Å; L518-A532 HydrophobicContact CD1-CB 3.91Å; F519-A532 HydrophobicContact CE1-CB 3.77Å; F519-A532 HydrophobicContact CZ-CB 4.09Å; K528-A532 VanDerWaalsContact O-CB 3.23Å; K528-A532 WeakPolarHBondContact O-CB 3.43Å; K528-A532 PolarHBondContact O-N 2.98Å; S529-A532 PolarHBondContact O-N 3.29Å; A532-A534 VanDerWaalsContact C-N 3.32Å; A532-A534 PolarHBondContact O-N 3.38Å; A532-A535 PolarHBondContact O-N 3.39Å; A532-V536 WeakPolarHBondContact O-CG2 3.39Å; A532-V536 PolarHBondContact O-N 3.4Å
533	A	98.8	Very high	98.2	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-59.7	-41.4	175.6	0	0	0	0	0	111.8	S529 D530 V536 R537 V545	S529-A533 WeakPolarHBondContact O-CB 3.46Å; S529-A533 PolarHBondContact O-N 2.92Å; D530-A533 PolarHBondContact O-N 2.92Å; A533-V536 WeakPolarHBondContact O-CG2 3.26Å; A533-R537 VanDerWaalsContact O-CG 3.28Å; A533-R537 WeakPolarHBondContact O-CG 3.49Å; A533-R537 PolarHBondContact O-N 3.01Å; A533-V545 HydrophobicContact CB-CB 4.13Å; A533-V545 HydrophobicContact CB-CG1 3.63Å
534	A	98.7	Very high	98.2	Very high	46 Å²	46	47.4 Å²	47.4	38%	0.38	25%	0.245	S	C	.	.	H	α-helix	trans	-64	-43	175.1	0	0	0	0	0	112.3	D530 T531 A532	D530-A534 PolarHBondContact O-N 2.98Å; T531-A534 PolarHBondContact O-N 2.9Å; A532-A534 VanDerWaalsContact C-N 3.32Å; A532-A534 PolarHBondContact O-N 3.38Å
535	A	98.6	Very high	98.4	Very high	19 Å²	19	45.4 Å²	45.4	16%	0.157	23%	0.233	C	C	.	.	H	α-helix	trans	-63.2	-44.8	179.6	0	0	0	0	0	112.5	L518 T531 A532 Q538 M539	L518-A535 HydrophobicContact CB-CB 4Å; L518-A535 HydrophobicContact CD2-CB 4.1Å; L518-A535 HydrophobicContact CG-CB 4.48Å; T531-A535 PolarHBondContact O-N 3.33Å; A532-A535 PolarHBondContact O-N 3.39Å; A535-Q538 WeakPolarHBondContact O-CB 3.32Å; A535-Q538 PolarHBondContact O-N 3.17Å; A535-Q538 VanDerWaalsContact O-N 3.17Å; A535-M539 PolarHBondContact O-N 3.44Å
536	V	98.6	Very high	98.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-72.9	-29.2	-177.7	-63.1	0	0	0	0	114.2	L484 A488 L518 A532 A533 Q538 M539 N540 I543 V545	L484-V536 HydrophobicContact CB-CG1 3.69Å; A488-V536 HydrophobicContact CB-CB 4.31Å; L518-V536 HydrophobicContact CD1-CG1 3.76Å; L518-V536 HydrophobicContact CD2-CG1 4.19Å; A532-V536 WeakPolarHBondContact O-CG2 3.39Å; A532-V536 PolarHBondContact O-N 3.4Å; A533-V536 WeakPolarHBondContact O-CG2 3.26Å; V536-Q538 PolarHBondContact O-N 3.23Å; V536-M539 HydrophobicContact CG1-SD 4.3Å; V536-M539 WeakPolarHBondContact O-CB 3.3Å; V536-M539 PolarHBondContact O-N 3.22Å; V536-N540 PolarHBondContact O-N 2.92Å; V536-I543 HydrophobicContact CG2-CD1 4.25Å; V536-I543 HydrophobicContact CG2-CG2 4.38Å; V536-V545 HydrophobicContact CG2-CG2 4.07Å
537	R	98.7	Very high	98.6	Very high	99 Å²	99	39.3 Å²	39.3	37%	0.374	21%	0.205	S	C	.	.	H	α-helix	trans	-60.7	-26.9	170.6	-72.1	174	-165.3	127.2	-5.1	112.3	A533 N540 P541 I543 V545	A533-R537 VanDerWaalsContact O-CG 3.28Å; A533-R537 WeakPolarHBondContact O-CG 3.49Å; A533-R537 PolarHBondContact O-N 3.01Å; R537-N540 CarbonylContact O-C 3.59Å; R537-P541 WeakPolarHBondContact O-CA 3.39Å; R537-I543 HydrophobicContact CB-CG2 4.48Å; R537-I543 HydrophobicContact CG-CG2 3.96Å; R537-V545 PolarHBondContact NH2-O 2.91Å
538	Q	98.2	Very high	98.6	Very high	113 Å²	113	40 Å²	40	53%	0.528	21%	0.207	S	C	.	.	H	α-helix	trans	-75.9	-33.5	173.3	-58.4	-174	13.6	0	0	112.4	R119 A535 V536	R119-Q538 VanDerWaalsContact CD-O 3.23Å; R119-Q538 WeakPolarHBondContact CD-O 3.47Å; R119-Q538 PolarHBondContact NE-O 3.03Å; R119-Q538 VanDerWaalsContact NE-O 3.16Å; R119-Q538 PolarHBondContact NH1-O 2.99Å; A535-Q538 WeakPolarHBondContact O-CB 3.32Å; A535-Q538 PolarHBondContact O-N 3.17Å; A535-Q538 VanDerWaalsContact O-N 3.17Å; V536-Q538 PolarHBondContact O-N 3.23Å
539	M	98.5	Very high	98.6	Very high	9 Å²	9	45.1 Å²	45.1	4%	0.044	23%	0.231	C	C	.	.	H	α-helix	trans	-70.7	-43	176.8	-58.5	177.3	174	0	0	111.2	F116 Y117 R450 K485 M489 F517 L518 A535 V536	F116-M539 HydrophobicContact CB-SD 3.96Å; F116-M539 HydrophobicContact CD2-CE 4.37Å; F116-M539 WeakPolarHBondContact O-CG 3.34Å; Y117-M539 HydrophobicContact CE1-CE 4.47Å; R450-M539 PolarHBondContact NH2-O 2.94Å; K485-M539 HydrophobicContact CB-SD 4.43Å; K485-M539 HydrophobicContact CG-SD 4.32Å; M489-M539 HydrophobicContact CE-CB 3.93Å; F517-M539 HydrophobicContact CE2-CE 3.72Å; F517-M539 HydrophobicContact CZ-CE 4.1Å; L518-M539 HydrophobicContact CD2-CE 3.33Å; L518-M539 HydrophobicContact CD2-SD 4.19Å; A535-M539 PolarHBondContact O-N 3.44Å; V536-M539 HydrophobicContact CG1-SD 4.3Å; V536-M539 WeakPolarHBondContact O-CB 3.3Å; V536-M539 PolarHBondContact O-N 3.22Å
540	N	98.6	Very high	98.5	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.242	C	C	.	.			trans	-135.3	104.8	174.1	-170.4	-15.7	0	0	0	110.8	R450 Y451 A488 V536 R537 H542 I543	R450-N540 PolarHBondContact NE-ND2 2.81Å; R450-N540 PolarHBondContact NH1-OD1 2.77Å; R450-N540 VanDerWaalsContact NH2-CB 3.33Å; Y451-N540 PolarHBondContact OH-ND2 2.69Å; A488-N540 HydrophobicContact CB-CB 4.04Å; A488-N540 WeakPolarHBondContact O-CB 3.33Å; A488-N540 PolarHBondContact O-ND2 2.91Å; V536-N540 PolarHBondContact O-N 2.92Å; R537-N540 CarbonylContact O-C 3.59Å; N540-H542 PolarHBondContact O-N 2.84Å; N540-H542 VanDerWaalsContact O-N 3.15Å; N540-H542 WeakPolarHBondContact OD1-CB 3.48Å; N540-H542 PolarHBondContact OD1-N 2.86Å; N540-I543 HydrophobicContact CB-CB 4.5Å; N540-I543 WeakPolarHBondContact O-CG2 3.38Å; N540-I543 PolarHBondContact O-N 3.02Å
541	P	98.4	Very high	98.5	Very high	89 Å²	89	51.3 Å²	51.3	58%	0.578	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-18.7	178.8	-25.1	36	0	0	0	114.7	R537 I543	R537-P541 WeakPolarHBondContact O-CA 3.39Å; P541-I543 VanDerWaalsContact C-N 3.33Å
542	H	98.5	Very high	98.5	Very high	91 Å²	91	51.4 Å²	51.4	42%	0.421	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-16.3	179.4	-57.3	148.8	0	0	0	113.2	E120 C494 N540	E120-H542 IonicContact OE1-CE1 3.71Å; C494-H542 VanDerWaalsContact CA-O 3.31Å; C494-H542 WeakPolarHBondContact CA-O 3.39Å; C494-H542 HydrophobicContact CB-CB 3.95Å; N540-H542 PolarHBondContact O-N 2.84Å; N540-H542 VanDerWaalsContact O-N 3.15Å; N540-H542 WeakPolarHBondContact OD1-CB 3.48Å; N540-H542 PolarHBondContact OD1-N 2.86Å
543	I	98.6	Very high	98.4	Very high	9 Å²	9	51.9 Å²	51.9	5%	0.046	26%	0.258	C	S	.	.			trans	-68.5	133	-175.4	-156.5	179.7	0	0	0	111.9	A488 C494 I500 V536 R537 N540 P541 V545	A488-I543 HydrophobicContact CB-CD1 3.87Å; C494-I543 VanDerWaalsContact SG-CA 3.5Å; I500-I543 HydrophobicContact CD1-CD1 3.66Å; I500-I543 HydrophobicContact CD1-CG1 3.84Å; V536-I543 HydrophobicContact CG2-CD1 4.25Å; V536-I543 HydrophobicContact CG2-CG2 4.38Å; R537-I543 HydrophobicContact CB-CG2 4.48Å; R537-I543 HydrophobicContact CG-CG2 3.96Å; N540-I543 HydrophobicContact CB-CB 4.5Å; N540-I543 WeakPolarHBondContact O-CG2 3.38Å; N540-I543 PolarHBondContact O-N 3.02Å; P541-I543 VanDerWaalsContact C-N 3.33Å; I543-V545 HydrophobicContact CD1-CG2 3.84Å; I543-V545 HydrophobicContact CG1-CG2 3.87Å; I543-V545 HydrophobicContact CG2-CG2 4.1Å
544	R	98.6	Very high	98.1	Very high	125 Å²	125	56.3 Å²	56.3	47%	0.472	29%	0.287	S	S	.	.			trans	-107	102.4	177.4	-60.6	179.8	-178.8	-163.3	1.2	109.2	G493 I500	G493-R544 PolarHBondContact O-N 3.13Å; I500-R544 PolarHBondContact N-O 3.13Å
545	V	98.8	Very high	97.9	Very high	9 Å²	9	61.7 Å²	61.7	6%	0.055	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	130.1	-178.8	-173	0	0	0	0	109.8	I500 V502 A533 V536 R537 I543	I500-V545 HydrophobicContact CB-CG2 4.27Å; I500-V545 HydrophobicContact CG2-CG1 4.45Å; I500-V545 CarbonylContact O-C 3.47Å; I500-V545 VanDerWaalsContact O-CA 3.23Å; I500-V545 WeakPolarHBondContact O-CA 3.24Å; V502-V545 HydrophobicContact CG1-CG1 3.73Å; A533-V545 HydrophobicContact CB-CB 4.13Å; A533-V545 HydrophobicContact CB-CG1 3.63Å; V536-V545 HydrophobicContact CG2-CG2 4.07Å; R537-V545 PolarHBondContact NH2-O 2.91Å; I543-V545 HydrophobicContact CD1-CG2 3.84Å; I543-V545 HydrophobicContact CG1-CG2 3.87Å; I543-V545 HydrophobicContact CG2-CG2 4.1Å
546	T	98.7	Very high	97.8	Very high	50 Å²	50	61.7 Å²	61.7	31%	0.307	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	121	168.9	-63.5	0	0	0	0	108.1	E499 I500 I501 V502	E499-T546 WeakPolarHBondContact OE1-CB 3.15Å; E499-T546 PolarHBondContact OE1-OG1 2.91Å; I500-T546 PolarHBondContact O-N 2.84Å; I501-T546 CarbonylContact C-O 3.58Å; I501-T546 WeakPolarHBondContact CA-O 3.34Å; V502-T546 PolarHBondContact N-O 2.96Å
547	S	98.6	Very high	97.6	Very high	32 Å²	32	64.7 Å²	64.7	22%	0.224	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	127	-177.9	51.2	0	0	0	0	111.2	V502 D530	V502-S547 CarbonylContact O-C 3.4Å; V502-S547 WeakPolarHBondContact O-CA 3.4Å; D530-S547 WeakPolarHBondContact OD1-CB 3.48Å; D530-S547 PolarHBondContact OD1-OG 3.34Å
548	H	98.7	Very high	97.4	Very high	51 Å²	51	68.7 Å²	68.7	24%	0.236	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	162.5	174.6	-68.5	178.8	0	0	0	110.4	V502 T503 D504 S529 Y560	V502-H548 PolarHBondContact O-N 3.12Å; T503-H548 WeakPolarHBondContact CA-O 3.42Å; D504-H548 PolarHBondContact N-O 3.1Å; S529-H548 VanDerWaalsContact CB-O 3.27Å; S529-H548 WeakPolarHBondContact CB-O 3.41Å; S529-H548 PolarHBondContact OG-O 3.03Å; H548-Y560 WeakPolarHBondContact CB-OH 3.32Å; H548-Y560 AromaticContact ND1-CE1 3.43Å; H548-Y560 WeakPolarHBondContact ND1-CE1 3.37Å; H548-Y560 AromaticContact ND1-CZ 3.64Å; H548-Y560 PolarHBondContact ND1-OH 3.49Å
549	Q	97.8	Very high	97.3	Very high	119 Å²	119	67 Å²	67	56%	0.556	33%	0.33	S	S	*	.			trans	-119.5	22.1	-179.9	63	-177.8	-37.5	0	0	112.7	D504 L527	D504-Q549 VanDerWaalsContact O-CA 3.29Å; D504-Q549 WeakPolarHBondContact O-CA 3.32Å; L527-Q549 HydrophobicContact CD1-CB 4.01Å; L527-Q549 HydrophobicContact CD2-CB 4.38Å
550	N	98	Very high	97.2	Very high	43 Å²	43	66.6 Å²	66.6	23%	0.23	33%	0.328	C	S	.	.			trans	-95.4	127.2	-168.8	-52.5	118.7	0	0	0	110.3	T503 V552 T556 I559 Y560	T503-N550 PolarHBondContact OG1-N 3.45Å; T503-N550 PolarHBondContact OG1-O 3.26Å; N550-V552 PolarHBondContact O-N 2.85Å; N550-V552 VanDerWaalsContact O-N 3.17Å; N550-T556 HydrophobicContact CB-CG2 4.13Å; N550-I559 HydrophobicContact CB-CD1 4.33Å; N550-Y560 HydrophobicContact CB-CE2 3.84Å
551	R	97.6	Very high	97	Very high	156 Å²	156	68.9 Å²	68.9	59%	0.589	34%	0.341	S	S	*	.			trans	-64.9	115.4	168.8	-176.3	-179.9	177.6	99.1	-0.5	108.9	M505 G553 T556	M505-R551 HydrophobicContact CB-CB 4.21Å; M505-R551 HydrophobicContact CG-CB 4.17Å; M505-R551 HydrophobicContact SD-CB 4Å; M505-R551 HydrophobicContact SD-CG 4Å; R551-G553 PolarHBondContact O-N 2.87Å; R551-T556 WeakPolarHBondContact O-CG2 3.46Å; R551-T556 PolarHBondContact O-OG1 3.09Å
552	V	97.9	Very high	96.7	Very high	19 Å²	19	65.7 Å²	65.7	12%	0.115	32%	0.318	C	S	.	.			trans	-70.6	126.2	179.8	177.4	0	0	0	0	109.8	F472 V474 T503 N550 Y560 Y583 M584	F472-V552 HydrophobicContact CE1-CG2 4.39Å; F472-V552 HydrophobicContact CZ-CG2 3.85Å; V474-V552 HydrophobicContact CG1-CB 3.98Å; V474-V552 HydrophobicContact CG1-CG1 4.4Å; V474-V552 HydrophobicContact CG1-CG2 3.78Å; T503-V552 HydrophobicContact CG2-CG2 3.37Å; N550-V552 PolarHBondContact O-N 2.85Å; N550-V552 VanDerWaalsContact O-N 3.17Å; V552-Y560 HydrophobicContact CG2-CD2 4.34Å; V552-Y560 HydrophobicContact CG2-CE2 3.89Å; V552-Y583 HydrophobicContact CG1-CD1 3.77Å; V552-Y583 HydrophobicContact CG1-CE1 3.49Å; V552-Y583 VanDerWaalsContact CG1-CE1 3.49Å; V552-M584 HydrophobicContact CG1-CG 4.22Å; V552-M584 HydrophobicContact CG1-SD 3.41Å; V552-M584 WeakPolarHBondContact CG1-SD 3.45Å
553	G	97.2	Very high	96.6	Very high	11 Å²	11	65.2 Å²	65.2	11%	0.113	32%	0.319	C	S	.	.	S	Bend	trans	169.5	-176	-177.7	0	0	0	0	0	111.4	R551 D555 T556 Y583	R551-G553 PolarHBondContact O-N 2.87Å; G553-D555 PolarHBondContact O-N 3.12Å; G553-D555 VanDerWaalsContact O-N 3.07Å; G553-T556 PolarHBondContact N-OG1 2.78Å; G553-T556 PolarHBondContact O-N 2.92Å; G553-T556 PolarHBondContact O-OG1 3.32Å; G553-T556 VanDerWaalsContact O-OG1 3.13Å; G553-Y583 PolarHBondContact O-OH 3.33Å; G553-Y583 VanDerWaalsContact O-OH 3.1Å
554	P	93.5	Very high	96.5	Very high	93 Å²	93	65.8 Å²	65.8	60%	0.604	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-55	-30.7	-177.2	-27.7	35.9	0	0	0	114.3	T556 Y583	P554-T556 VanDerWaalsContact C-N 3.29Å; P554-T556 PolarHBondContact O-N 2.87Å; P554-Y583 HydrophobicContact CG-CD2 4.24Å; P554-Y583 HydrophobicContact CG-CE2 3.98Å
555	D	93.8	Very high	96.5	Very high	159 Å²	159	59.9 Å²	59.9	85%	0.85	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-73.5	-18.2	-177.9	-61.8	-33.1	0	0	0	113.7	G553	G553-D555 PolarHBondContact O-N 3.12Å; G553-D555 VanDerWaalsContact O-N 3.07Å
556	T	96.1	Very high	96.3	Very high	18 Å²	18	64.2 Å²	64.2	11%	0.11	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-108.9	9.3	-176.6	52.9	0	0	0	0	113.9	N550 R551 G553 P554 R558 I559 Y560	N550-T556 HydrophobicContact CB-CG2 4.13Å; R551-T556 WeakPolarHBondContact O-CG2 3.46Å; R551-T556 PolarHBondContact O-OG1 3.09Å; G553-T556 PolarHBondContact N-OG1 2.78Å; G553-T556 PolarHBondContact O-N 2.92Å; G553-T556 PolarHBondContact O-OG1 3.32Å; G553-T556 VanDerWaalsContact O-OG1 3.13Å; P554-T556 VanDerWaalsContact C-N 3.29Å; P554-T556 PolarHBondContact O-N 2.87Å; T556-R558 PolarHBondContact O-N 3.36Å; T556-I559 HydrophobicContact CG2-CD1 4.44Å; T556-I559 WeakPolarHBondContact O-CB 3.18Å; T556-I559 PolarHBondContact O-N 2.68Å; T556-Y560 PolarHBondContact O-N 2.9Å
557	E	94.7	Very high	96.2	Very high	64 Å²	64	65.1 Å²	65.1	30%	0.299	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-15.4	175.8	-69.7	-167.2	160	0	0	114.1	I559 Y560 D561 Y583 R587	E557-I559 VanDerWaalsContact C-N 3.32Å; E557-Y560 CarbonylContact O-C 3.47Å; E557-D561 VanDerWaalsContact O-CA 3.28Å; E557-D561 WeakPolarHBondContact O-CA 3.37Å; E557-D561 WeakPolarHBondContact O-CB 3.38Å; E557-D561 PolarHBondContact O-N 2.83Å; E557-Y583 WeakPolarHBondContact CG-OH 3.46Å; E557-Y583 PolarHBondContact OE1-OH 2.91Å; E557-R587 IonicContact OE1-CZ 3.69Å; E557-R587 IonicContact OE1-NE 2.76Å; E557-R587 IonicContact OE1-NH1 2.74Å; E557-R587 PolarHBondContact OE1-NH1 3.24Å; E557-R587 IonicContact OE2-NH1 3.9Å
558	R	93.8	Very high	96.2	Very high	182 Å²	182	63.9 Å²	63.9	69%	0.687	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-22.2	171.6	-63.5	-175	-176.4	-172.4	4.6	113.6	T556 H1030	T556-R558 PolarHBondContact O-N 3.36Å; R558-H1030 PolarHBondContact NE-CE1 3.04Å; R558-H1030 VanDerWaalsContact NE-CE1 3.33Å
559	I	96.1	Very high	96.2	Very high	77 Å²	77	64.5 Å²	64.5	40%	0.395	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-47.8	177.7	-57	175.2	0	0	0	108.3	N550 T556 E557 D561	N550-I559 HydrophobicContact CB-CD1 4.33Å; T556-I559 HydrophobicContact CG2-CD1 4.44Å; T556-I559 WeakPolarHBondContact O-CB 3.18Å; T556-I559 PolarHBondContact O-N 2.68Å; E557-I559 VanDerWaalsContact C-N 3.32Å; I559-D561 PolarHBondContact O-N 2.95Å
560	Y	97	Very high	96.2	Very high	2 Å²	2	58.9 Å²	58.9	1%	0.008	29%	0.291	C	S	.	.	S	Bend	trans	-99.2	62.7	178.3	-53.1	-60.2	0	0	0	110.4	F472 T503 H548 N550 V552 T556 E557 F564 F565 R587	F472-Y560 HydrophobicContact CE2-CD1 4.46Å; F472-Y560 AromaticContact CE2-CE1 3.91Å; F472-Y560 HydrophobicContact CE2-CE1 3.91Å; F472-Y560 HydrophobicContact CZ-CD1 4.03Å; F472-Y560 AromaticContact CZ-CE1 3.77Å; F472-Y560 HydrophobicContact CZ-CE1 3.77Å; F472-Y560 HydrophobicContact CZ-CE2 4.31Å; F472-Y560 HydrophobicContact CZ-CG 4.39Å; F472-Y560 AromaticContact CZ-CZ 3.92Å; T503-Y560 WeakPolarHBondContact CB-OH 3.26Å; T503-Y560 PolarHBondContact OG1-OH 2.94Å; H548-Y560 WeakPolarHBondContact CB-OH 3.32Å; H548-Y560 AromaticContact ND1-CE1 3.43Å; H548-Y560 WeakPolarHBondContact ND1-CE1 3.37Å; H548-Y560 AromaticContact ND1-CZ 3.64Å; H548-Y560 PolarHBondContact ND1-OH 3.49Å; N550-Y560 HydrophobicContact CB-CE2 3.84Å; V552-Y560 HydrophobicContact CG2-CD2 4.34Å; V552-Y560 HydrophobicContact CG2-CE2 3.89Å; T556-Y560 PolarHBondContact O-N 2.9Å; E557-Y560 CarbonylContact O-C 3.47Å; Y560-F564 AromaticContact CD1-CD1 3.86Å; Y560-F564 HydrophobicContact CD1-CD1 3.86Å; Y560-F564 AromaticContact CD1-CD2 3.94Å; Y560-F564 HydrophobicContact CD1-CD2 3.94Å; Y560-F564 AromaticContact CD1-CE1 3.59Å; Y560-F564 HydrophobicContact CD1-CE1 3.59Å; Y560-F564 AromaticContact CD1-CE2 3.65Å; Y560-F564 HydrophobicContact CD1-CE2 3.65Å; Y560-F564 HydrophobicContact CD1-CG 4.04Å; Y560-F564 AromaticContact CD1-CZ 3.48Å; Y560-F564 HydrophobicContact CD1-CZ 3.48Å; Y560-F564 VanDerWaalsContact CD1-CZ 3.48Å; Y560-F564 HydrophobicContact CE1-CE1 4.34Å; Y560-F564 AromaticContact CE1-CE2 3.93Å; Y560-F564 HydrophobicContact CE1-CE2 3.93Å; Y560-F564 AromaticContact CE1-CZ 3.83Å; Y560-F564 HydrophobicContact CE1-CZ 3.83Å; Y560-F564 HydrophobicContact CG-CD1 4.41Å; Y560-F564 HydrophobicContact CG-CE1 4.31Å; Y560-F565 WeakPolarHBondContact O-CE2 3.27Å; Y560-R587 PolarHBondContact O-NH2 3Å
561	D	94.8	Very high	96.3	Very high	48 Å²	48	56.8 Å²	56.8	26%	0.257	28%	0.28	S	S	.	.			trans	-81.9	-169.8	-174.8	72.1	-5.7	0	0	0	112.8	E557 I559 D563 F564 F565	E557-D561 VanDerWaalsContact O-CA 3.28Å; E557-D561 WeakPolarHBondContact O-CA 3.37Å; E557-D561 WeakPolarHBondContact O-CB 3.38Å; E557-D561 PolarHBondContact O-N 2.83Å; I559-D561 PolarHBondContact O-N 2.95Å; D561-D563 PolarHBondContact O-N 3.24Å; D561-D563 PolarHBondContact OD1-N 2.82Å; D561-F564 WeakPolarHBondContact O-CB 3.25Å; D561-F564 PolarHBondContact O-N 3.49Å; D561-F564 PolarHBondContact OD1-N 2.91Å; D561-F565 WeakPolarHBondContact O-CD2 3.31Å; D561-F565 PolarHBondContact O-N 3.29Å; D561-F565 VanDerWaalsContact O-N 3.13Å
562	D	92.9	Very high	96.3	Very high	21 Å²	21	49.4 Å²	49.4	11%	0.112	25%	0.252	C	S	.	.	H	α-helix	trans	-59.2	-45.1	177.9	-80.9	38.6	0	0	0	112	F564 F565 Q566 Y591 R1054	D562-F564 VanDerWaalsContact C-N 3.29Å; D562-F564 PolarHBondContact O-N 3.4Å; D562-F565 PolarHBondContact O-N 3.14Å; D562-Q566 WeakPolarHBondContact O-CB 3.08Å; D562-Q566 WeakPolarHBondContact O-CG 3.44Å; D562-Q566 PolarHBondContact O-N 2.99Å; D562-Y591 HydrophobicContact CB-CE1 4.08Å; D562-Y591 PolarHBondContact OD1-OH 3.49Å; D562-R1054 IonicContact OD2-CZ 2.9Å; D562-R1054 IonicContact OD2-NH1 2.69Å; D562-R1054 IonicContact OD2-NH2 3.92Å; D562-R1054 PolarHBondContact OD2-NH2 3.33Å
563	D	95	Very high	96.4	Very high	82 Å²	82	48.5 Å²	48.5	44%	0.439	25%	0.247	S	C	.	.	H	α-helix	trans	-64.6	-37.3	-177.4	-67.7	-56.6	0	0	0	111	D561 R1032	D561-D563 PolarHBondContact O-N 3.24Å; D561-D563 PolarHBondContact OD1-N 2.82Å; D563-R1032 IonicContact OD1-CZ 3.04Å; D563-R1032 IonicContact OD1-NH2 3.72Å; D563-R1032 IonicContact OD2-CZ 3.38Å; D563-R1032 VanDerWaalsContact OD2-CZ 3.29Å; D563-R1032 IonicContact OD2-NE 3.06Å; D563-R1032 PolarHBondContact OD2-NE 2.8Å; D563-R1032 IonicContact OD2-NH2 3.7Å; D563-R1032 PolarHBondContact OD2-NH2 3.12Å
564	F	97.6	Very high	96.5	Very high	21 Å²	21	48.5 Å²	48.5	9%	0.092	25%	0.246	C	C	.	.	H	α-helix	trans	-58.8	-54.9	171.3	177.8	-91.2	0	0	0	111.9	F472 I501 Y560 D561 D562 Q566 N567 L568	F472-F564 HydrophobicContact CB-CE1 4.45Å; F472-F564 HydrophobicContact CB-CZ 4.31Å; F472-F564 AromaticContact CD1-CE1 3.81Å; F472-F564 HydrophobicContact CD1-CE1 3.81Å; F472-F564 HydrophobicContact CD1-CZ 4.09Å; F472-F564 HydrophobicContact CD2-CE1 4.26Å; F472-F564 AromaticContact CD2-CZ 3.69Å; F472-F564 HydrophobicContact CD2-CZ 3.69Å; F472-F564 AromaticContact CE1-CE1 3.98Å; F472-F564 HydrophobicContact CE1-CE1 3.98Å; F472-F564 HydrophobicContact CE1-CZ 4.26Å; F472-F564 HydrophobicContact CE2-CE1 4.42Å; F472-F564 AromaticContact CE2-CZ 3.88Å; F472-F564 HydrophobicContact CE2-CZ 3.88Å; F472-F564 AromaticContact CG-CE1 3.95Å; F472-F564 HydrophobicContact CG-CE1 3.95Å; F472-F564 AromaticContact CG-CZ 3.79Å; F472-F564 HydrophobicContact CG-CZ 3.79Å; F472-F564 HydrophobicContact CZ-CE1 4.27Å; F472-F564 HydrophobicContact CZ-CZ 4.14Å; I501-F564 HydrophobicContact CD1-CD2 4.28Å; I501-F564 HydrophobicContact CD1-CE2 3.42Å; I501-F564 VanDerWaalsContact CD1-CE2 3.42Å; I501-F564 HydrophobicContact CD1-CZ 4Å; I501-F564 HydrophobicContact CG2-CE2 4.11Å; I501-F564 HydrophobicContact CG2-CZ 4.21Å; Y560-F564 AromaticContact CD1-CD1 3.86Å; Y560-F564 HydrophobicContact CD1-CD1 3.86Å; Y560-F564 AromaticContact CD1-CD2 3.94Å; Y560-F564 HydrophobicContact CD1-CD2 3.94Å; Y560-F564 AromaticContact CD1-CE1 3.59Å; Y560-F564 HydrophobicContact CD1-CE1 3.59Å; Y560-F564 AromaticContact CD1-CE2 3.65Å; Y560-F564 HydrophobicContact CD1-CE2 3.65Å; Y560-F564 HydrophobicContact CD1-CG 4.04Å; Y560-F564 AromaticContact CD1-CZ 3.48Å; Y560-F564 HydrophobicContact CD1-CZ 3.48Å; Y560-F564 VanDerWaalsContact CD1-CZ 3.48Å; Y560-F564 HydrophobicContact CE1-CE1 4.34Å; Y560-F564 AromaticContact CE1-CE2 3.93Å; Y560-F564 HydrophobicContact CE1-CE2 3.93Å; Y560-F564 AromaticContact CE1-CZ 3.83Å; Y560-F564 HydrophobicContact CE1-CZ 3.83Å; Y560-F564 HydrophobicContact CG-CD1 4.41Å; Y560-F564 HydrophobicContact CG-CE1 4.31Å; D561-F564 WeakPolarHBondContact O-CB 3.25Å; D561-F564 PolarHBondContact O-N 3.49Å; D561-F564 PolarHBondContact OD1-N 2.91Å; D562-F564 VanDerWaalsContact C-N 3.29Å; D562-F564 PolarHBondContact O-N 3.4Å; F564-Q566 PolarHBondContact O-N 3.48Å; F564-N567 PolarHBondContact O-OD1 2.81Å; F564-L568 HydrophobicContact CD1-CD1 4.23Å; F564-L568 HydrophobicContact CE1-CD1 3.75Å; F564-L568 HydrophobicContact CZ-CD1 4.37Å
565	F	97.8	Very high	96.6	Very high	1 Å²	1	45.1 Å²	45.1	0%	0.004	22%	0.222	C	C	.	.	H	α-helix	trans	-70.3	-31.9	-175.7	-85.1	-90.5	0	0	0	113	Y560 D561 D562 N567 L568 M584 R587 Y591 K593	Y560-F565 WeakPolarHBondContact O-CE2 3.27Å; D561-F565 WeakPolarHBondContact O-CD2 3.31Å; D561-F565 PolarHBondContact O-N 3.29Å; D561-F565 VanDerWaalsContact O-N 3.13Å; D562-F565 PolarHBondContact O-N 3.14Å; F565-N567 VanDerWaalsContact C-N 3.25Å; F565-N567 PolarHBondContact O-N 2.95Å; F565-L568 HydrophobicContact CD1-CD1 4.18Å; F565-L568 PolarHBondContact O-N 3.42Å; F565-M584 HydrophobicContact CE1-CE 4.08Å; F565-M584 HydrophobicContact CZ-CE 4.14Å; F565-R587 HydrophobicContact CE1-CB 4.04Å; F565-R587 HydrophobicContact CZ-CB 3.93Å; F565-R587 HydrophobicContact CZ-CG 4.41Å; F565-Y591 HydrophobicContact CB-CD1 3.65Å; F565-Y591 HydrophobicContact CB-CD2 3.35Å; F565-Y591 HydrophobicContact CB-CE1 3.94Å; F565-Y591 HydrophobicContact CB-CE2 3.65Å; F565-Y591 HydrophobicContact CB-CG 3.36Å; F565-Y591 AromaticContact CD1-CD2 3.53Å; F565-Y591 HydrophobicContact CD1-CD2 3.53Å; F565-Y591 HydrophobicContact CD1-CE2 4.09Å; F565-Y591 HydrophobicContact CD1-CG 4.15Å; F565-Y591 AromaticContact CD2-CD2 3.82Å; F565-Y591 HydrophobicContact CD2-CD2 3.82Å; F565-Y591 AromaticContact CD2-CE2 3.49Å; F565-Y591 HydrophobicContact CD2-CE2 3.49Å; F565-Y591 VanDerWaalsContact CD2-CE2 3.49Å; F565-Y591 HydrophobicContact CE1-CD2 4.24Å; F565-Y591 HydrophobicContact CE2-CD2 4.49Å; F565-Y591 HydrophobicContact CE2-CE2 4.13Å; F565-Y591 HydrophobicContact CG-CD1 4.48Å; F565-Y591 AromaticContact CG-CD2 3.28Å; F565-Y591 HydrophobicContact CG-CD2 3.28Å; F565-Y591 AromaticContact CG-CE2 3.47Å; F565-Y591 HydrophobicContact CG-CE2 3.47Å; F565-Y591 VanDerWaalsContact CG-CE2 3.47Å; F565-Y591 AromaticContact CG-CG 3.85Å; F565-Y591 HydrophobicContact CG-CG 3.85Å; F565-K593 WeakPolarHBondContact O-CE 3.36Å
566	Q	94.8	Very high	96.5	Very high	99 Å²	99	42.4 Å²	42.4	46%	0.463	21%	0.208	S	C	.	.	H	α-helix	trans	-63.2	-30.9	-177.8	-73.1	-64.7	-10.2	0	0	113.1	D562 F564	D562-Q566 WeakPolarHBondContact O-CB 3.08Å; D562-Q566 WeakPolarHBondContact O-CG 3.44Å; D562-Q566 PolarHBondContact O-N 2.99Å; F564-Q566 PolarHBondContact O-N 3.48Å
567	N	96.6	Very high	96.3	Very high	70 Å²	70	43.7 Å²	43.7	37%	0.374	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-11.6	-177.5	76.9	12.5	0	0	0	114.1	K470 F564 F565	K470-N567 WeakPolarHBondContact CD-O 3.39Å; F564-N567 PolarHBondContact O-OD1 2.81Å; F565-N567 VanDerWaalsContact C-N 3.25Å; F565-N567 PolarHBondContact O-N 2.95Å
568	L	98.7	Very high	96.2	Very high	5 Å²	5	43.7 Å²	43.7	3%	0.026	22%	0.219	C	C	.	.			trans	-76.6	146.8	-177.7	-62.9	177.1	0	0	0	111.6	K470 F472 F564 F565 V571 K593	K470-L568 HydrophobicContact CB-CD2 4.38Å; F472-L568 HydrophobicContact CB-CD1 3.61Å; F472-L568 HydrophobicContact CB-CD2 4.07Å; F472-L568 HydrophobicContact CD1-CD1 4.47Å; F472-L568 HydrophobicContact CG-CD1 4.37Å; F564-L568 HydrophobicContact CD1-CD1 4.23Å; F564-L568 HydrophobicContact CE1-CD1 3.75Å; F564-L568 HydrophobicContact CZ-CD1 4.37Å; F565-L568 HydrophobicContact CD1-CD1 4.18Å; F565-L568 PolarHBondContact O-N 3.42Å; L568-V571 HydrophobicContact CD1-CG2 4.32Å; L568-K593 HydrophobicContact CB-CD 4.31Å; L568-K593 WeakPolarHBondContact O-CD 3.45Å; L568-K593 WeakPolarHBondContact O-CE 3.27Å
569	D	98.8	Very high	96.2	Very high	65 Å²	65	41 Å²	41	35%	0.348	22%	0.218	S	C	.	.	S	Bend	trans	-93.9	-23.5	170.7	-62.4	-54.4	0	0	0	112	Q469 K470 Y471 P594	Q469-D569 VanDerWaalsContact CA-OD2 3.26Å; Q469-D569 WeakPolarHBondContact CA-OD2 3.3Å; K470-D569 PolarHBondContact N-OD2 3.37Å; K470-D569 PolarHBondContact O-N 2.98Å; Y471-D569 HydrophobicContact CE2-CB 4.18Å; D569-P594 WeakPolarHBondContact O-CD 3.44Å
570	G	98.8	Very high	96.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.2	171.1	177.3	0	0	0	0	0	113.4	Y471 F472 P594	Y471-G570 WeakPolarHBondContact CA-O 3.42Å; F472-G570 PolarHBondContact N-O 3.36Å; G570-P594 WeakPolarHBondContact CA-O 3.37Å
571	V	98.9	Very high	96.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	141.1	178.8	179.7	0	0	0	0	109.2	F472 V474 L568 M584 P594 L595 L596	F472-V571 HydrophobicContact CB-CG2 4.37Å; F472-V571 HydrophobicContact CD1-CG1 4.43Å; F472-V571 WeakPolarHBondContact O-CA 3.31Å; V474-V571 HydrophobicContact CG2-CG1 4.3Å; L568-V571 HydrophobicContact CD1-CG2 4.32Å; V571-M584 HydrophobicContact CB-CE 4.49Å; V571-M584 HydrophobicContact CG1-CE 3.47Å; V571-M584 VanDerWaalsContact CG1-CE 3.47Å; V571-M584 HydrophobicContact CG2-CE 4.3Å; V571-P594 PolarHBondContact N-O 3.44Å; V571-L595 HydrophobicContact CB-CD1 3.89Å; V571-L595 HydrophobicContact CG1-CD1 3.66Å; V571-L595 WeakPolarHBondContact O-CA 3.38Å; V571-L596 PolarHBondContact O-N 2.97Å
572	A	98.9	Very high	96.4	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	123.1	171.6	0	0	0	0	0	110.2	F472 L473 V474 L483 F487 L596	F472-A572 PolarHBondContact O-N 2.93Å; L473-A572 WeakPolarHBondContact CA-O 3.45Å; L473-A572 HydrophobicContact CD1-CB 4.22Å; V474-A572 PolarHBondContact N-O 3Å; L483-A572 HydrophobicContact CD1-CB 4.19Å; F487-A572 HydrophobicContact CZ-CB 4.13Å; A572-L596 HydrophobicContact CB-CB 4.38Å
573	N	98.8	Very high	96.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	138.2	177.1	-81.3	-7.6	0	0	0	111.2	L575 L595 L596 E597	N573-L575 HydrophobicContact CB-CD1 4.16Å; N573-L575 HydrophobicContact CB-CG 4.38Å; N573-L595 HydrophobicContact CB-CD1 4.44Å; N573-L596 PolarHBondContact N-O 3.37Å; N573-E597 WeakPolarHBondContact CB-OE2 3.34Å; N573-E597 PolarHBondContact ND2-OE2 3.02Å
574	A	98.4	Very high	96.8	Very high	11 Å²	11	35.8 Å²	35.8	9%	0.091	19%	0.189	C	C	.	.			trans	-135.4	43.6	174.8	0	0	0	0	0	110.5	L473 V474 G475 I479 L483	L473-A574 HydrophobicContact CD1-CB 4Å; V474-A574 CarbonylContact O-C 3.51Å; V474-A574 WeakPolarHBondContact O-CA 3.39Å; V474-A574 PolarHBondContact O-N 2.87Å; G475-A574 WeakPolarHBondContact O-CB 3.47Å; I479-A574 HydrophobicContact CB-CB 3.93Å; I479-A574 HydrophobicContact CG2-CB 3.74Å; L483-A574 HydrophobicContact CD1-CB 4.27Å
575	L	96.8	Very high	96.8	Very high	22 Å²	22	34.9 Å²	34.9	12%	0.115	19%	0.185	C	C	.	.			trans	-91.8	164.3	-168	-65.5	169.1	0	0	0	112.6	V474 N573 A580 R581	V474-L575 HydrophobicContact CB-CD2 4.5Å; V474-L575 HydrophobicContact CG1-CD2 3.76Å; V474-L575 HydrophobicContact CG1-CG 4.39Å; N573-L575 HydrophobicContact CB-CD1 4.16Å; N573-L575 HydrophobicContact CB-CG 4.38Å; L575-A580 HydrophobicContact CD1-CB 3.76Å; L575-A580 HydrophobicContact CD2-CB 3.83Å; L575-A580 HydrophobicContact CG-CB 4.32Å; L575-R581 HydrophobicContact CB-CG 4.12Å; L575-R581 HydrophobicContact CD1-CB 4.41Å; L575-R581 HydrophobicContact CD1-CG 3.84Å; L575-R581 PolarHBondContact O-NH1 2.83Å; L575-R581 PolarHBondContact O-NH2 3.25Å
576	D	92.4	Very high	96.8	Very high	103 Å²	103	41.3 Å²	41.3	55%	0.551	21%	0.209	S	C	*	.	S	Bend	trans	-122	2.8	-179.5	66.1	-7.9	0	0	0	113.9
577	N	91.2	Very high	96.9	Very high	44 Å²	44	37.8 Å²	37.8	24%	0.235	19%	0.192	C	C	.	.	S	Bend	trans	-138.3	155.6	179.2	65	89.8	0	0	0	111.6	A580 R581	N577-A580 WeakPolarHBondContact OD1-CB 3.11Å; N577-A580 PolarHBondContact OD1-N 3.02Å; N577-R581 VanDerWaalsContact N-NH1 3.19Å; N577-R581 WeakPolarHBondContact O-CG 3.45Å; N577-R581 PolarHBondContact O-NH1 3.49Å
578	V	92.7	Very high	97	Very high	65 Å²	65	34.5 Å²	34.5	39%	0.394	17%	0.174	S	C	.	.	H	α-helix	trans	-75.7	-36	-175.5	177.3	0	0	0	0	111.9	A580 R581 M582	V578-A580 PolarHBondContact O-N 3.04Å; V578-R581 WeakPolarHBondContact O-CB 3.15Å; V578-R581 PolarHBondContact O-N 2.9Å; V578-R581 VanDerWaalsContact O-N 3.12Å; V578-M582 HydrophobicContact CG1-CE 3.78Å; V578-M582 HydrophobicContact CG1-CG 4.15Å; V578-M582 HydrophobicContact CG1-SD 4.18Å; V578-M582 WeakPolarHBondContact O-CG 3.48Å; V578-M582 PolarHBondContact O-N 2.58Å
579	D	93.9	Very high	97	Very high	125 Å²	125	34.9 Å²	34.9	67%	0.668	18%	0.176	S	C	*	.	H	α-helix	trans	-60.8	-44.3	-177.3	-67.7	-32.8	0	0	0	112.8	R581 M582 Y583	D579-R581 VanDerWaalsContact C-N 3.34Å; D579-M582 PolarHBondContact O-N 3.45Å; D579-Y583 WeakPolarHBondContact O-CB 3.29Å; D579-Y583 PolarHBondContact O-N 3.03Å
580	A	96.5	Very high	96.9	Very high	16 Å²	16	33 Å²	33	13%	0.132	17%	0.165	C	C	.	.	H	α-helix	trans	-66.4	-35.9	176.7	0	0	0	0	0	112	L575 N577 V578 Y583 M584	L575-A580 HydrophobicContact CD1-CB 3.76Å; L575-A580 HydrophobicContact CD2-CB 3.83Å; L575-A580 HydrophobicContact CG-CB 4.32Å; N577-A580 WeakPolarHBondContact OD1-CB 3.11Å; N577-A580 PolarHBondContact OD1-N 3.02Å; V578-A580 PolarHBondContact O-N 3.04Å; A580-Y583 PolarHBondContact O-N 3.43Å; A580-M584 PolarHBondContact O-N 3.47Å
581	R	97.9	Very high	96.9	Very high	23 Å²	23	33.2 Å²	33.2	9%	0.087	17%	0.166	C	C	.	.	H	α-helix	trans	-62.8	-51	175.5	-71	175	166.6	84	1.6	110.6	L575 N577 V578 D579 Y583 M584 D585 E597 S598 Y618	L575-R581 HydrophobicContact CB-CG 4.12Å; L575-R581 HydrophobicContact CD1-CB 4.41Å; L575-R581 HydrophobicContact CD1-CG 3.84Å; L575-R581 PolarHBondContact O-NH1 2.83Å; L575-R581 PolarHBondContact O-NH2 3.25Å; N577-R581 VanDerWaalsContact N-NH1 3.19Å; N577-R581 WeakPolarHBondContact O-CG 3.45Å; N577-R581 PolarHBondContact O-NH1 3.49Å; V578-R581 WeakPolarHBondContact O-CB 3.15Å; V578-R581 PolarHBondContact O-N 2.9Å; V578-R581 VanDerWaalsContact O-N 3.12Å; D579-R581 VanDerWaalsContact C-N 3.34Å; R581-Y583 VanDerWaalsContact C-N 3.28Å; R581-Y583 PolarHBondContact O-N 3.28Å; R581-M584 PolarHBondContact O-N 3.24Å; R581-D585 WeakPolarHBondContact O-CB 3.48Å; R581-D585 PolarHBondContact O-N 3.45Å; R581-E597 WeakPolarHBondContact CD-OE1 3.43Å; R581-E597 IonicContact CZ-OE1 2.87Å; R581-E597 IonicContact NE-OE1 3.59Å; R581-E597 PolarHBondContact NE-OE1 3.25Å; R581-E597 IonicContact NH2-OE1 2.82Å; R581-S598 PolarHBondContact NH2-O 3.43Å; R581-Y618 HydrophobicContact CB-CD1 4.09Å; R581-Y618 HydrophobicContact CB-CE1 3.66Å
582	M	96.7	Very high	96.8	Very high	66 Å²	66	36.9 Å²	36.9	33%	0.325	18%	0.18	S	C	.	.	H	α-helix	trans	-60.6	-37	176.6	-69.3	-173.3	169.6	0	0	112.3	V578 D579 R586 Y618	V578-M582 HydrophobicContact CG1-CE 3.78Å; V578-M582 HydrophobicContact CG1-CG 4.15Å; V578-M582 HydrophobicContact CG1-SD 4.18Å; V578-M582 WeakPolarHBondContact O-CG 3.48Å; V578-M582 PolarHBondContact O-N 2.58Å; D579-M582 PolarHBondContact O-N 3.45Å; M582-R586 WeakPolarHBondContact O-CG 3.36Å; M582-R586 PolarHBondContact O-N 3.46Å; M582-R586 VanDerWaalsContact O-N 3.12Å; M582-R586 PolarHBondContact O-NH1 2.7Å; M582-Y618 HydrophobicContact CG-CD1 4.34Å; M582-Y618 HydrophobicContact CG-CE1 4.07Å
583	Y	97.9	Very high	96.8	Very high	15 Å²	15	38.1 Å²	38.1	6%	0.059	19%	0.185	C	C	.	.	H	α-helix	trans	-62.5	-50.2	174	176	-93	0	0	0	111.7	V552 G553 P554 E557 D579 A580 R581 D585 R586 R587	V552-Y583 HydrophobicContact CG1-CD1 3.77Å; V552-Y583 HydrophobicContact CG1-CE1 3.49Å; V552-Y583 VanDerWaalsContact CG1-CE1 3.49Å; G553-Y583 PolarHBondContact O-OH 3.33Å; G553-Y583 VanDerWaalsContact O-OH 3.1Å; P554-Y583 HydrophobicContact CG-CD2 4.24Å; P554-Y583 HydrophobicContact CG-CE2 3.98Å; E557-Y583 WeakPolarHBondContact CG-OH 3.46Å; E557-Y583 PolarHBondContact OE1-OH 2.91Å; D579-Y583 WeakPolarHBondContact O-CB 3.29Å; D579-Y583 PolarHBondContact O-N 3.03Å; A580-Y583 PolarHBondContact O-N 3.43Å; R581-Y583 VanDerWaalsContact C-N 3.28Å; R581-Y583 PolarHBondContact O-N 3.28Å; Y583-D585 VanDerWaalsContact C-N 3.34Å; Y583-D585 PolarHBondContact O-N 2.77Å; Y583-R586 PolarHBondContact O-N 2.71Å; Y583-R587 HydrophobicContact CD1-CG 4.22Å; Y583-R587 HydrophobicContact CE1-CG 3.76Å; Y583-R587 HydrophobicContact CE2-CG 4.23Å; Y583-R587 VanDerWaalsContact O-CG 3.31Å; Y583-R587 WeakPolarHBondContact O-CG 3.49Å; Y583-R587 PolarHBondContact O-N 3.48Å; Y583-R587 VanDerWaalsContact O-N 3.1Å
584	M	98.5	Very high	96.8	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-64.7	-37.7	179.4	-77.3	-52.1	-62.9	0	0	112.9	F472 V474 V552 F565 V571 A580 R581 R587 C588	F472-M584 HydrophobicContact CD1-CE 3.88Å; F472-M584 HydrophobicContact CE1-CE 3.89Å; F472-M584 HydrophobicContact CE1-SD 4.36Å; V474-M584 HydrophobicContact CG1-CG 4.37Å; V474-M584 HydrophobicContact CG2-CE 3.79Å; V474-M584 HydrophobicContact CG2-CG 4.16Å; V474-M584 HydrophobicContact CG2-SD 4.07Å; V552-M584 HydrophobicContact CG1-CG 4.22Å; V552-M584 HydrophobicContact CG1-SD 3.41Å; V552-M584 WeakPolarHBondContact CG1-SD 3.45Å; F565-M584 HydrophobicContact CE1-CE 4.08Å; F565-M584 HydrophobicContact CZ-CE 4.14Å; V571-M584 HydrophobicContact CB-CE 4.49Å; V571-M584 HydrophobicContact CG1-CE 3.47Å; V571-M584 VanDerWaalsContact CG1-CE 3.47Å; V571-M584 HydrophobicContact CG2-CE 4.3Å; A580-M584 PolarHBondContact O-N 3.47Å; R581-M584 PolarHBondContact O-N 3.24Å; M584-R587 PolarHBondContact O-N 3.06Å; M584-C588 WeakPolarHBondContact O-CB 3.45Å; M584-C588 PolarHBondContact O-N 3.46Å; M584-C588 PolarHBondContact O-SG 2.98Å
585	D	98.4	Very high	96.8	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-56.6	-53.5	173.6	-176.5	55.6	0	0	0	111.4	R581 Y583 R587 C588 V589 L595 S617 Y618 S619	R581-D585 WeakPolarHBondContact O-CB 3.48Å; R581-D585 PolarHBondContact O-N 3.45Å; Y583-D585 VanDerWaalsContact C-N 3.34Å; Y583-D585 PolarHBondContact O-N 2.77Å; D585-R587 VanDerWaalsContact C-N 3.29Å; D585-R587 PolarHBondContact O-N 2.69Å; D585-C588 PolarHBondContact O-N 3.21Å; D585-C588 VanDerWaalsContact O-N 3.07Å; D585-V589 WeakPolarHBondContact O-CG2 3.47Å; D585-V589 PolarHBondContact O-N 3.25Å; D585-L595 HydrophobicContact CB-CD2 4.24Å; D585-S617 VanDerWaalsContact OD1-CB 3.23Å; D585-S617 WeakPolarHBondContact OD1-CB 3.29Å; D585-S617 WeakPolarHBondContact OD2-CB 3.31Å; D585-S617 PolarHBondContact OD2-OG 3.22Å; D585-Y618 PolarHBondContact OD1-N 2.91Å; D585-Y618 PolarHBondContact OD2-N 2.99Å; D585-S619 WeakPolarHBondContact OD2-CB 3.25Å; D585-S619 PolarHBondContact OD2-N 2.73Å; D585-S619 PolarHBondContact OD2-OG 2.98Å
586	R	97.2	Very high	96.9	Very high	137 Å²	137	37.8 Å²	37.8	52%	0.517	18%	0.183	S	C	.	.	H	α-helix	trans	-57.7	-40.8	177.6	-72	-172.9	-60.7	-92	1.6	112.6	M582 Y583 Y590	M582-R586 WeakPolarHBondContact O-CG 3.36Å; M582-R586 PolarHBondContact O-N 3.46Å; M582-R586 VanDerWaalsContact O-N 3.12Å; M582-R586 PolarHBondContact O-NH1 2.7Å; Y583-R586 PolarHBondContact O-N 2.71Å; R586-Y590 WeakPolarHBondContact O-CB 3.46Å; R586-Y590 PolarHBondContact O-N 3.15Å
587	R	97.9	Very high	97.2	Very high	25 Å²	25	32.9 Å²	32.9	9%	0.094	16%	0.157	C	C	.	.	H	α-helix	trans	-65.8	-42.7	176.4	-62.3	-70.2	-70	177.8	5	110.8	E557 Y560 F565 Y583 M584 D585 Y590 Y591	E557-R587 IonicContact OE1-CZ 3.69Å; E557-R587 IonicContact OE1-NE 2.76Å; E557-R587 IonicContact OE1-NH1 2.74Å; E557-R587 PolarHBondContact OE1-NH1 3.24Å; E557-R587 IonicContact OE2-NH1 3.9Å; Y560-R587 PolarHBondContact O-NH2 3Å; F565-R587 HydrophobicContact CE1-CB 4.04Å; F565-R587 HydrophobicContact CZ-CB 3.93Å; F565-R587 HydrophobicContact CZ-CG 4.41Å; Y583-R587 HydrophobicContact CD1-CG 4.22Å; Y583-R587 HydrophobicContact CE1-CG 3.76Å; Y583-R587 HydrophobicContact CE2-CG 4.23Å; Y583-R587 VanDerWaalsContact O-CG 3.31Å; Y583-R587 WeakPolarHBondContact O-CG 3.49Å; Y583-R587 PolarHBondContact O-N 3.48Å; Y583-R587 VanDerWaalsContact O-N 3.1Å; M584-R587 PolarHBondContact O-N 3.06Å; D585-R587 VanDerWaalsContact C-N 3.29Å; D585-R587 PolarHBondContact O-N 2.69Å; R587-Y590 CarbonylContact O-C 3.47Å; R587-Y590 PolarHBondContact O-N 3.47Å; R587-Y591 VanDerWaalsContact NH2-CE2 3.29Å; R587-Y591 PolarHBondContact NH2-OH 3.49Å; R587-Y591 WeakPolarHBondContact O-CD2 3.15Å; R587-Y591 PolarHBondContact O-N 2.93Å
588	C	98.5	Very high	97.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-64.5	-40.8	178.4	-68.1	0	0	0	0	112.2	M584 D585 Y591 R592 K593 L595	M584-C588 WeakPolarHBondContact O-CB 3.45Å; M584-C588 PolarHBondContact O-N 3.46Å; M584-C588 PolarHBondContact O-SG 2.98Å; D585-C588 PolarHBondContact O-N 3.21Å; D585-C588 VanDerWaalsContact O-N 3.07Å; C588-Y591 PolarHBondContact O-N 2.72Å; C588-R592 WeakPolarHBondContact O-CA 3.39Å; C588-R592 PolarHBondContact O-N 2.75Å; C588-K593 WeakPolarHBondContact CB-O 3.29Å; C588-K593 PolarHBondContact O-N 3.5Å; C588-L595 HydrophobicContact CB-CB 4.12Å
589	V	98	Very high	97.8	Very high	13 Å²	13	28 Å²	28	8%	0.079	13%	0.13	C	C	.	.	H	α-helix	trans	-59.4	-49.1	170.2	175.4	0	0	0	0	110.6	D585 Y591 R592 L954 W955 R957	D585-V589 WeakPolarHBondContact O-CG2 3.47Å; D585-V589 PolarHBondContact O-N 3.25Å; V589-Y591 VanDerWaalsContact C-N 3.35Å; V589-Y591 PolarHBondContact O-N 2.89Å; V589-R592 PolarHBondContact O-N 3.38Å; V589-L954 HydrophobicContact CG1-CD1 3.73Å; V589-L954 HydrophobicContact CG1-CG 4.18Å; V589-L954 HydrophobicContact CG2-CD1 4.12Å; V589-W955 HydrophobicContact CB-CZ3 4.26Å; V589-W955 HydrophobicContact CG1-CE3 4.42Å; V589-W955 HydrophobicContact CG2-CH2 4Å; V589-W955 HydrophobicContact CG2-CZ2 4.48Å; V589-W955 HydrophobicContact CG2-CZ3 4.1Å; V589-R957 PolarHBondContact O-NH2 2.94Å; V589-R957 VanDerWaalsContact O-NH2 3.09Å
590	Y	97	Very high	98	Very high	25 Å²	25	23.7 Å²	23.7	10%	0.098	11%	0.108	C	C	.	.	H	α-helix	trans	-63.7	-32.6	179.3	178.6	-100.1	0	0	0	113.8	R586 R587 R957 A1033 V1035 Y1052 R1054	R586-Y590 WeakPolarHBondContact O-CB 3.46Å; R586-Y590 PolarHBondContact O-N 3.15Å; R587-Y590 CarbonylContact O-C 3.47Å; R587-Y590 PolarHBondContact O-N 3.47Å; Y590-R957 VanDerWaalsContact C-NH2 3.32Å; Y590-R957 PolarHBondContact O-NH1 3.26Å; Y590-R957 PolarHBondContact O-NH2 3.44Å; Y590-A1033 WeakPolarHBondContact OH-CB 3.31Å; Y590-V1035 HydrophobicContact CD2-CG2 3.71Å; Y590-V1035 HydrophobicContact CE2-CG2 3.46Å; Y590-V1035 VanDerWaalsContact CE2-CG2 3.46Å; Y590-Y1052 HydrophobicContact CD2-CE2 4.27Å; Y590-R1054 VanDerWaalsContact CE1-NH1 3.35Å; Y590-R1054 HydrophobicContact CE2-CG 4.43Å; Y590-R1054 PolarHBondContact OH-NH1 2.99Å
591	Y	97.5	Very high	98	Very high	6 Å²	6	27 Å²	27	2%	0.024	12%	0.123	C	C	.	.	H	α-helix	trans	-99.2	3.4	176.6	-66.5	-73.2	0	0	0	114.4	D562 F565 R587 C588 V589 K593	D562-Y591 HydrophobicContact CB-CE1 4.08Å; D562-Y591 PolarHBondContact OD1-OH 3.49Å; F565-Y591 HydrophobicContact CB-CD1 3.65Å; F565-Y591 HydrophobicContact CB-CD2 3.35Å; F565-Y591 HydrophobicContact CB-CE1 3.94Å; F565-Y591 HydrophobicContact CB-CE2 3.65Å; F565-Y591 HydrophobicContact CB-CG 3.36Å; F565-Y591 AromaticContact CD1-CD2 3.53Å; F565-Y591 HydrophobicContact CD1-CD2 3.53Å; F565-Y591 HydrophobicContact CD1-CE2 4.09Å; F565-Y591 HydrophobicContact CD1-CG 4.15Å; F565-Y591 AromaticContact CD2-CD2 3.82Å; F565-Y591 HydrophobicContact CD2-CD2 3.82Å; F565-Y591 AromaticContact CD2-CE2 3.49Å; F565-Y591 HydrophobicContact CD2-CE2 3.49Å; F565-Y591 VanDerWaalsContact CD2-CE2 3.49Å; F565-Y591 HydrophobicContact CE1-CD2 4.24Å; F565-Y591 HydrophobicContact CE2-CD2 4.49Å; F565-Y591 HydrophobicContact CE2-CE2 4.13Å; F565-Y591 HydrophobicContact CG-CD1 4.48Å; F565-Y591 AromaticContact CG-CD2 3.28Å; F565-Y591 HydrophobicContact CG-CD2 3.28Å; F565-Y591 AromaticContact CG-CE2 3.47Å; F565-Y591 HydrophobicContact CG-CE2 3.47Å; F565-Y591 VanDerWaalsContact CG-CE2 3.47Å; F565-Y591 AromaticContact CG-CG 3.85Å; F565-Y591 HydrophobicContact CG-CG 3.85Å; R587-Y591 VanDerWaalsContact NH2-CE2 3.29Å; R587-Y591 PolarHBondContact NH2-OH 3.49Å; R587-Y591 WeakPolarHBondContact O-CD2 3.15Å; R587-Y591 PolarHBondContact O-N 2.93Å; C588-Y591 PolarHBondContact O-N 2.72Å; V589-Y591 VanDerWaalsContact C-N 3.35Å; V589-Y591 PolarHBondContact O-N 2.89Å; Y591-K593 PolarHBondContact O-N 3.43Å; Y591-K593 PolarHBondContact O-NZ 3.47Å
592	R	98.4	Very high	97.9	Very high	77 Å²	77	26.3 Å²	26.3	29%	0.291	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	53.4	-175.9	-63.2	148.7	169	163.2	-5.7	110.8	C588 V589 P612 F613 E959	C588-R592 WeakPolarHBondContact O-CA 3.39Å; C588-R592 PolarHBondContact O-N 2.75Å; V589-R592 PolarHBondContact O-N 3.38Å; R592-P612 VanDerWaalsContact C-CG 3.42Å; R592-P612 HydrophobicContact CB-CB 4.29Å; R592-P612 WeakPolarHBondContact O-CG 3.33Å; R592-F613 HydrophobicContact CB-CE2 4.08Å; R592-F613 HydrophobicContact CB-CZ 4.46Å; R592-F613 HydrophobicContact CG-CE2 3.88Å; R592-F613 HydrophobicContact CG-CZ 3.77Å; R592-E959 IonicContact CZ-OE1 3Å; R592-E959 IonicContact NH1-OE1 2.77Å; R592-E959 PolarHBondContact NH1-OE1 3.49Å; R592-E959 IonicContact NH2-OE1 3.68Å
593	K	98.6	Very high	98	Very high	25 Å²	25	23.7 Å²	23.7	11%	0.109	11%	0.111	C	C	.	.			trans	-112.8	135.9	-179.7	-64	-69.2	168.2	-85.4	0	110.5	F565 L568 C588 Y591 P612	F565-K593 WeakPolarHBondContact O-CE 3.36Å; L568-K593 HydrophobicContact CB-CD 4.31Å; L568-K593 WeakPolarHBondContact O-CD 3.45Å; L568-K593 WeakPolarHBondContact O-CE 3.27Å; C588-K593 WeakPolarHBondContact CB-O 3.29Å; C588-K593 PolarHBondContact O-N 3.5Å; Y591-K593 PolarHBondContact O-N 3.43Å; Y591-K593 PolarHBondContact O-NZ 3.47Å; K593-P612 VanDerWaalsContact C-CG 3.44Å
594	P	98.8	Very high	98.1	Very high	22 Å²	22	26.3 Å²	26.3	14%	0.143	12%	0.122	C	C	.	.			trans	-56.4	138.7	169.7	-22.5	32.8	0	0	0	111.5	D569 G570 V571 V610 I611 P612 V912	D569-P594 WeakPolarHBondContact O-CD 3.44Å; G570-P594 WeakPolarHBondContact CA-O 3.37Å; V571-P594 PolarHBondContact N-O 3.44Å; P594-V610 WeakPolarHBondContact CA-O 3.23Å; P594-I611 HydrophobicContact CB-CD1 4.3Å; P594-P612 HydrophobicContact CG-CG 4.36Å; P594-V912 HydrophobicContact CB-CG1 3.64Å; P594-V912 HydrophobicContact CG-CG1 3.75Å
595	L	98.9	Very high	98	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	126.7	175.1	174.1	65.3	0	0	0	110	V571 N573 D585 C588 V610	V571-L595 HydrophobicContact CB-CD1 3.89Å; V571-L595 HydrophobicContact CG1-CD1 3.66Å; V571-L595 WeakPolarHBondContact O-CA 3.38Å; N573-L595 HydrophobicContact CB-CD1 4.44Å; D585-L595 HydrophobicContact CB-CD2 4.24Å; C588-L595 HydrophobicContact CB-CB 4.12Å; L595-V610 HydrophobicContact CB-CB 4.16Å; L595-V610 PolarHBondContact N-O 3.03Å; L595-V610 PolarHBondContact O-N 2.87Å
596	L	98.9	Very high	98	Very high	4 Å²	4	29.2 Å²	29.2	2%	0.021	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	109.4	170.6	-62.2	177	0	0	0	109.1	Y471 V571 A572 N573 V609 V905 E908 L909 V912	Y471-L596 HydrophobicContact CE1-CD1 4.3Å; V571-L596 PolarHBondContact O-N 2.97Å; A572-L596 HydrophobicContact CB-CB 4.38Å; N573-L596 PolarHBondContact N-O 3.37Å; L596-V609 HydrophobicContact CD2-CB 4.4Å; L596-V609 HydrophobicContact CD2-CG2 3.89Å; L596-V905 HydrophobicContact CB-CG1 3.92Å; L596-V905 HydrophobicContact CD1-CG1 4.06Å; L596-V905 HydrophobicContact CG-CG1 4.49Å; L596-E908 HydrophobicContact CD2-CB 4.15Å; L596-L909 HydrophobicContact CD1-CB 3.79Å; L596-L909 HydrophobicContact CD1-CD1 3.95Å; L596-L909 HydrophobicContact CD1-CG 4.42Å; L596-V912 HydrophobicContact CD2-CG2 4.14Å
597	E	98.7	Very high	98.1	Very high	1 Å²	1	23 Å²	23	1%	0.005	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	142.6	-177.8	177.8	54.7	-125.5	0	0	111.2	N573 R581 V607 Q608 Y618	N573-E597 WeakPolarHBondContact CB-OE2 3.34Å; N573-E597 PolarHBondContact ND2-OE2 3.02Å; R581-E597 WeakPolarHBondContact CD-OE1 3.43Å; R581-E597 IonicContact CZ-OE1 2.87Å; R581-E597 IonicContact NE-OE1 3.59Å; R581-E597 PolarHBondContact NE-OE1 3.25Å; R581-E597 IonicContact NH2-OE1 2.82Å; E597-V607 WeakPolarHBondContact O-CA 3.5Å; E597-Q608 HydrophobicContact CB-CB 4.33Å; E597-Q608 PolarHBondContact N-O 3.38Å; E597-Q608 PolarHBondContact O-N 3.32Å; E597-Y618 HydrophobicContact CG-CD2 3.86Å; E597-Y618 HydrophobicContact CG-CE2 4.18Å
598	S	98.3	Very high	98.1	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	150.8	175.9	60.6	0	0	0	0	113.4	R581 N606	R581-S598 PolarHBondContact NH2-O 3.43Å; S598-N606 VanDerWaalsContact CA-O 3.31Å; S598-N606 WeakPolarHBondContact CA-O 3.48Å
599	G	97.4	Very high	98.1	Very high	7 Å²	7	22.7 Å²	22.7	7%	0.072	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	154.1	-179.1	0	0	0	0	0	112.6	G605 N606	G599-G605 VanDerWaalsContact O-CA 3.24Å; G599-G605 WeakPolarHBondContact O-CA 3.38Å; G599-N606 WeakPolarHBondContact CA-OD1 3.23Å; G599-N606 PolarHBondContact N-O 3.33Å; G599-N606 PolarHBondContact O-N 2.72Å; G599-N606 PolarHBondContact O-OD1 2.69Å
600	T	97.9	Very high	98.2	Very high	33 Å²	33	22.1 Å²	22.1	20%	0.202	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	141.9	175.3	62.6	0	0	0	0	111.3	I479 K604 T897 V901	I479-T600 HydrophobicContact CD1-CG2 4.37Å; T600-K604 CarbonylContact C-O 3.57Å; T600-K604 WeakPolarHBondContact CA-O 3.37Å; T600-T897 HydrophobicContact CG2-CG2 4.18Å; T600-V901 HydrophobicContact CG2-CG1 4.31Å; T600-V901 HydrophobicContact CG2-CG2 3.49Å; T600-V901 VanDerWaalsContact CG2-CG2 3.49Å
601	L	96.1	Very high	98.3	Very high	87 Å²	87	21.2 Å²	21.2	46%	0.455	11%	0.11	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	98.4	170.3	177.9	64.3	0	0	0	109.3	T603 K604 I891	L601-T603 PolarHBondContact O-N 2.94Å; L601-K604 HydrophobicContact CB-CB 4.49Å; L601-K604 PolarHBondContact N-O 2.85Å; L601-K604 VanDerWaalsContact O-CB 3.31Å; L601-K604 WeakPolarHBondContact O-CB 3.33Å; L601-K604 PolarHBondContact O-N 2.83Å; L601-I891 HydrophobicContact CD1-CG2 3.81Å
602	G	97.3	Very high	98.3	Very high	8 Å²	8	21.5 Å²	21.5	8%	0.082	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	-115.4	-174.4	0	0	0	0	0	112.2	P892 T897	G602-P892 PolarHBondContact N-O 2.78Å; G602-T897 VanDerWaalsContact O-CB 3.32Å; G602-T897 WeakPolarHBondContact O-CB 3.39Å; G602-T897 PolarHBondContact O-OG1 3.03Å
603	T	98.4	Very high	98.3	Very high	10 Å²	10	22.7 Å²	22.7	6%	0.061	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-8.6	175.2	54.4	0	0	0	0	113.7	V61 F417 L601 T897 N928 L929 A930	V61-T603 HydrophobicContact CG1-CG2 3.9Å; F417-T603 HydrophobicContact CD2-CG2 4.29Å; F417-T603 HydrophobicContact CE1-CG2 4.19Å; F417-T603 HydrophobicContact CE2-CG2 3.65Å; F417-T603 HydrophobicContact CZ-CG2 3.59Å; L601-T603 PolarHBondContact O-N 2.94Å; T603-T897 WeakPolarHBondContact CA-OG1 3.31Å; T603-N928 CarbonylContact O-C 3.58Å; T603-N928 WeakPolarHBondContact O-CA 3.46Å; T603-N928 PolarHBondContact OG1-OD1 3.36Å; T603-L929 PolarHBondContact O-N 2.83Å; T603-A930 HydrophobicContact CG2-CB 4.12Å; T603-A930 WeakPolarHBondContact OG1-CB 3.2Å
604	K	98.6	Very high	98.3	Very high	71 Å²	71	22.8 Å²	22.8	31%	0.309	12%	0.121	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	144	-180	-56.6	166.9	-174.5	169.6	0	110	E214 T600 L601 T897 L927 N928	E214-K604 VanDerWaalsContact CD-NZ 3.26Å; E214-K604 WeakPolarHBondContact OE1-CE 3.42Å; E214-K604 IonicContact OE1-NZ 3.79Å; E214-K604 PolarHBondContact OE1-NZ 3.35Å; E214-K604 IonicContact OE2-NZ 2.85Å; E214-K604 PolarHBondContact OE2-NZ 3.32Å; T600-K604 CarbonylContact C-O 3.57Å; T600-K604 WeakPolarHBondContact CA-O 3.37Å; L601-K604 HydrophobicContact CB-CB 4.49Å; L601-K604 PolarHBondContact N-O 2.85Å; L601-K604 VanDerWaalsContact O-CB 3.31Å; L601-K604 WeakPolarHBondContact O-CB 3.33Å; L601-K604 PolarHBondContact O-N 2.83Å; K604-T897 WeakPolarHBondContact O-CG2 3.4Å; K604-L927 CarbonylContact C-O 3.51Å; K604-L927 VanDerWaalsContact CA-O 3.25Å; K604-L927 WeakPolarHBondContact CA-O 3.42Å; K604-N928 HydrophobicContact CG-CB 4.23Å
605	G	98.2	Very high	98.2	Very high	7 Å²	7	21.8 Å²	21.8	7%	0.072	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	155.2	174.3	0	0	0	0	0	112.4	G599 L927	G599-G605 VanDerWaalsContact O-CA 3.24Å; G599-G605 WeakPolarHBondContact O-CA 3.38Å; G605-L927 PolarHBondContact N-O 2.9Å; G605-L927 PolarHBondContact O-N 2.82Å
606	N	98.3	Very high	98.2	Very high	56 Å²	56	23 Å²	23	30%	0.299	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	153.2	178	70.5	-71.8	0	0	0	111.5	S598 G599 G925 F926	S598-N606 VanDerWaalsContact CA-O 3.31Å; S598-N606 WeakPolarHBondContact CA-O 3.48Å; G599-N606 WeakPolarHBondContact CA-OD1 3.23Å; G599-N606 PolarHBondContact N-O 3.33Å; G599-N606 PolarHBondContact O-N 2.72Å; G599-N606 PolarHBondContact O-OD1 2.69Å; N606-G925 CarbonylContact C-O 3.57Å; N606-G925 WeakPolarHBondContact CA-O 3.29Å; N606-F926 HydrophobicContact CB-CD1 4.09Å; N606-F926 HydrophobicContact CB-CE1 4.37Å
607	V	98.7	Very high	98.1	Very high	5 Å²	5	23 Å²	23	3%	0.03	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	131.5	174.7	176.8	0	0	0	0	108.3	E597 V901 L904 V905 N924 G925	E597-V607 WeakPolarHBondContact O-CA 3.5Å; V607-V901 HydrophobicContact CG2-CB 4.15Å; V607-L904 HydrophobicContact CG2-CB 3.93Å; V607-V905 HydrophobicContact CB-CG2 4.4Å; V607-V905 HydrophobicContact CG1-CG2 3.81Å; V607-V905 HydrophobicContact CG2-CG2 3.76Å; V607-N924 CarbonylContact O-C 3.56Å; V607-N924 VanDerWaalsContact O-CA 3.25Å; V607-N924 WeakPolarHBondContact O-CA 3.06Å; V607-N924 WeakPolarHBondContact O-CB 3.16Å; V607-G925 PolarHBondContact N-O 3.22Å; V607-G925 PolarHBondContact O-N 3.14Å
608	Q	98.6	Very high	98	Very high	19 Å²	19	23.5 Å²	23.5	9%	0.089	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	133.7	174.5	-176.4	176.2	10.5	0	0	109.7	E597 V610 N924	E597-Q608 HydrophobicContact CB-CB 4.33Å; E597-Q608 PolarHBondContact N-O 3.38Å; E597-Q608 PolarHBondContact O-N 3.32Å; Q608-V610 HydrophobicContact CG-CG2 4.49Å; Q608-N924 WeakPolarHBondContact CA-OD1 3.47Å
609	V	98.5	Very high	97.9	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.006	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	129.8	176.8	59.2	0	0	0	0	110	L596 I611 E908 V912 Y922 N924 P939	L596-V609 HydrophobicContact CD2-CB 4.4Å; L596-V609 HydrophobicContact CD2-CG2 3.89Å; V609-I611 HydrophobicContact CG2-CD1 3.47Å; V609-I611 VanDerWaalsContact CG2-CD1 3.47Å; V609-I611 HydrophobicContact CG2-CG1 3.87Å; V609-E908 HydrophobicContact CB-CB 4.44Å; V609-V912 HydrophobicContact CG2-CG2 4.46Å; V609-Y922 HydrophobicContact CG1-CD1 3.88Å; V609-Y922 HydrophobicContact CG1-CG 4.21Å; V609-Y922 HydrophobicContact CG2-CD1 3.94Å; V609-Y922 HydrophobicContact CG2-CE1 4.16Å; V609-N924 PolarHBondContact N-OD1 2.8Å; V609-P939 HydrophobicContact CG1-CG 3.69Å
610	V	98.7	Very high	97.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	110.4	-179.3	175.4	0	0	0	0	108.8	P594 L595 Q608 T615 W955	P594-V610 WeakPolarHBondContact CA-O 3.23Å; L595-V610 HydrophobicContact CB-CB 4.16Å; L595-V610 PolarHBondContact N-O 3.03Å; L595-V610 PolarHBondContact O-N 2.87Å; Q608-V610 HydrophobicContact CG-CG2 4.49Å; V610-T615 WeakPolarHBondContact CA-OG1 2.94Å; V610-W955 HydrophobicContact CG1-CH2 3.71Å; V610-W955 HydrophobicContact CG1-CZ2 3.61Å
611	I	98.7	Very high	97.1	Very high	7 Å²	7	28.9 Å²	28.9	4%	0.036	16%	0.161	C	C	.	.			trans	-111.5	123.9	-175.2	-53.7	-58.8	0	0	0	110.3	P594 V609 F613 L614 T615 V912 Y922	P594-I611 HydrophobicContact CB-CD1 4.3Å; V609-I611 HydrophobicContact CG2-CD1 3.47Å; V609-I611 VanDerWaalsContact CG2-CD1 3.47Å; V609-I611 HydrophobicContact CG2-CG1 3.87Å; I611-F613 PolarHBondContact O-N 3.03Å; I611-L614 HydrophobicContact CB-CB 4.05Å; I611-L614 HydrophobicContact CB-CD2 4.14Å; I611-L614 HydrophobicContact CG2-CB 3.96Å; I611-L614 HydrophobicContact CG2-CD2 3.95Å; I611-L614 PolarHBondContact O-N 3.43Å; I611-L614 VanDerWaalsContact O-N 3.15Å; I611-T615 HydrophobicContact CB-CG2 4.14Å; I611-T615 HydrophobicContact CG1-CG2 4.29Å; I611-T615 PolarHBondContact N-OG1 3.29Å; I611-T615 PolarHBondContact O-N 3.18Å; I611-T615 VanDerWaalsContact O-N 3.16Å; I611-V912 HydrophobicContact CD1-CG2 3.7Å; I611-Y922 HydrophobicContact CD1-CD1 4.47Å; I611-Y922 HydrophobicContact CD1-CE1 3.73Å; I611-Y922 HydrophobicContact CG1-CD1 4.27Å; I611-Y922 HydrophobicContact CG1-CD2 4.45Å; I611-Y922 HydrophobicContact CG1-CE1 3.8Å; I611-Y922 HydrophobicContact CG1-CE2 4.01Å
612	P	98.4	Very high	96.5	Very high	11 Å²	11	33.5 Å²	33.5	7%	0.071	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	133.7	178.2	-27.3	33.9	0	0	0	113.2	R592 K593 P594 L614 W955	R592-P612 VanDerWaalsContact C-CG 3.42Å; R592-P612 HydrophobicContact CB-CB 4.29Å; R592-P612 WeakPolarHBondContact O-CG 3.33Å; K593-P612 VanDerWaalsContact C-CG 3.44Å; P594-P612 HydrophobicContact CG-CG 4.36Å; P612-L614 PolarHBondContact O-N 3.17Å; P612-W955 HydrophobicContact CB-CD2 4.32Å; P612-W955 HydrophobicContact CB-CE3 3.84Å; P612-W955 HydrophobicContact CB-CH2 4.25Å; P612-W955 HydrophobicContact CB-CZ3 3.77Å; P612-W955 HydrophobicContact CG-CE3 4.4Å; P612-W955 HydrophobicContact CG-CH2 4.07Å; P612-W955 HydrophobicContact CG-CZ3 3.81Å
613	F	98	Very high	95.9	Very high	102 Å²	102	37.3 Å²	37.3	45%	0.447	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	20.7	179.4	-49.6	-82.8	0	0	0	114.6	R592 I611 W955	R592-F613 HydrophobicContact CB-CE2 4.08Å; R592-F613 HydrophobicContact CB-CZ 4.46Å; R592-F613 HydrophobicContact CG-CE2 3.88Å; R592-F613 HydrophobicContact CG-CZ 3.77Å; I611-F613 PolarHBondContact O-N 3.03Å; F613-W955 HydrophobicContact CB-CB 4.49Å; F613-W955 HydrophobicContact CD1-CB 3.45Å; F613-W955 VanDerWaalsContact CD1-CB 3.45Å; F613-W955 HydrophobicContact CD1-CG 4.38Å; F613-W955 HydrophobicContact CE1-CB 3.8Å; F613-W955 WeakPolarHBondContact CE1-O 3.42Å; F613-W955 HydrophobicContact CG-CB 3.98Å; F613-W955 HydrophobicContact CG-CG 4.49Å; F613-W955 VanDerWaalsContact N-CD1 3.27Å
614	L	98.1	Very high	95.1	Very high	28 Å²	28	42.4 Å²	42.4	15%	0.147	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134.4	-61.2	-177.8	-175	62.9	0	0	0	111.8	I611 P612 R917 L919 Y922 A941 A942	I611-L614 HydrophobicContact CB-CB 4.05Å; I611-L614 HydrophobicContact CB-CD2 4.14Å; I611-L614 HydrophobicContact CG2-CB 3.96Å; I611-L614 HydrophobicContact CG2-CD2 3.95Å; I611-L614 PolarHBondContact O-N 3.43Å; I611-L614 VanDerWaalsContact O-N 3.15Å; P612-L614 PolarHBondContact O-N 3.17Å; L614-R917 WeakPolarHBondContact CD1-O 3.2Å; L614-L919 HydrophobicContact CD1-CD2 3.88Å; L614-L919 HydrophobicContact CD1-CG 3.8Å; L614-L919 HydrophobicContact CD2-CD2 4.28Å; L614-L919 HydrophobicContact CG-CD2 3.63Å; L614-L919 HydrophobicContact CG-CG 4.13Å; L614-Y922 HydrophobicContact CD2-CD2 4.04Å; L614-Y922 HydrophobicContact CD2-CE2 3.72Å; L614-A941 WeakPolarHBondContact O-CA 3.35Å; L614-A942 PolarHBondContact O-N 2.96Å
615	T	98.3	Very high	94.4	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.006	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-101.5	166.2	-173.5	69.7	0	0	0	0	111.8	V610 I611 L919 P939 L940 A942 W955	V610-T615 WeakPolarHBondContact CA-OG1 2.94Å; I611-T615 HydrophobicContact CB-CG2 4.14Å; I611-T615 HydrophobicContact CG1-CG2 4.29Å; I611-T615 PolarHBondContact N-OG1 3.29Å; I611-T615 PolarHBondContact O-N 3.18Å; I611-T615 VanDerWaalsContact O-N 3.16Å; T615-L919 HydrophobicContact CG2-CD2 3.82Å; T615-P939 HydrophobicContact CG2-CB 3.66Å; T615-P939 HydrophobicContact CG2-CG 4.24Å; T615-L940 CarbonylContact C-O 3.47Å; T615-L940 VanDerWaalsContact CA-O 3.29Å; T615-L940 WeakPolarHBondContact CA-O 3.29Å; T615-A942 WeakPolarHBondContact O-CB 3.44Å; T615-W955 PolarHBondContact O-NE1 3.16Å
616	E	97.5	Very high	93.5	Very high	24 Å²	24	51.1 Å²	51.1	11%	0.112	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-60.2	168.1	160.1	72.6	178.6	179	0	0	112.1	L940	E616-L940 HydrophobicContact CG-CB 4.11Å; E616-L940 PolarHBondContact N-O 3Å
617	S	97.9	Very high	92.4	Very high	4 Å²	4	58.5 Å²	58.5	3%	0.028	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-93.8	167.6	173.2	93.2	0	0	0	0	111.5	D585 S619 S620	D585-S617 VanDerWaalsContact OD1-CB 3.23Å; D585-S617 WeakPolarHBondContact OD1-CB 3.29Å; D585-S617 WeakPolarHBondContact OD2-CB 3.31Å; D585-S617 PolarHBondContact OD2-OG 3.22Å; S617-S619 VanDerWaalsContact C-N 3.26Å; S617-S619 PolarHBondContact O-N 3.43Å; S617-S619 PolarHBondContact OG-N 2.9Å; S617-S620 PolarHBondContact N-OG 2.83Å; S617-S620 VanDerWaalsContact N-OG 3.11Å; S617-S620 VanDerWaalsContact O-CB 3.27Å; S617-S620 WeakPolarHBondContact O-CB 3.44Å; S617-S620 PolarHBondContact O-N 3.22Å; S617-S620 VanDerWaalsContact O-N 3.08Å; S617-S620 PolarHBondContact O-OG 2.84Å; S617-S620 PolarHBondContact OG-OG 3.01Å
618	Y	96.8	Very high	91.6	Very high	13 Å²	13	63.6 Å²	63.6	5%	0.051	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-56.9	-41.7	174.7	173.9	-101.2	0	0	0	111.8	R581 M582 D585 E597 S620 S621 D623	R581-Y618 HydrophobicContact CB-CD1 4.09Å; R581-Y618 HydrophobicContact CB-CE1 3.66Å; M582-Y618 HydrophobicContact CG-CD1 4.34Å; M582-Y618 HydrophobicContact CG-CE1 4.07Å; D585-Y618 PolarHBondContact OD1-N 2.91Å; D585-Y618 PolarHBondContact OD2-N 2.99Å; E597-Y618 HydrophobicContact CG-CD2 3.86Å; E597-Y618 HydrophobicContact CG-CE2 4.18Å; Y618-S620 PolarHBondContact O-N 3.42Å; Y618-S621 PolarHBondContact O-N 3.41Å; Y618-S621 PolarHBondContact O-OG 3.19Å; Y618-D623 PolarHBondContact OH-OD2 3.08Å
619	S	94.7	Very high	91	Very high	48 Å²	48	65 Å²	65	34%	0.336	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-74.4	-2.9	-179.3	-45.5	0	0	0	0	114.2	D585 S617 S621	D585-S619 WeakPolarHBondContact OD2-CB 3.25Å; D585-S619 PolarHBondContact OD2-N 2.73Å; D585-S619 PolarHBondContact OD2-OG 2.98Å; S617-S619 VanDerWaalsContact C-N 3.26Å; S617-S619 PolarHBondContact O-N 3.43Å; S617-S619 PolarHBondContact OG-N 2.9Å; S619-S621 VanDerWaalsContact C-N 3.33Å
620	S	92.4	Very high	90.5	Very high	57 Å²	57	68 Å²	68	40%	0.399	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-75.8	-25.8	177.1	-56.2	0	0	0	0	112	S617 Y618	S617-S620 PolarHBondContact N-OG 2.83Å; S617-S620 VanDerWaalsContact N-OG 3.11Å; S617-S620 VanDerWaalsContact O-CB 3.27Å; S617-S620 WeakPolarHBondContact O-CB 3.44Å; S617-S620 PolarHBondContact O-N 3.22Å; S617-S620 VanDerWaalsContact O-N 3.08Å; S617-S620 PolarHBondContact O-OG 2.84Å; S617-S620 PolarHBondContact OG-OG 3.01Å; Y618-S620 PolarHBondContact O-N 3.42Å
621	S	86.2	Confident	90	Very high	48 Å²	48	71.9 Å²	71.9	34%	0.336	39%	0.393	S	S	.	.	S	Bend	trans	-101.3	147.6	174.4	57.3	0	0	0	0	112	Y618 S619	Y618-S621 PolarHBondContact O-N 3.41Å; Y618-S621 PolarHBondContact O-OG 3.19Å; S619-S621 VanDerWaalsContact C-N 3.33Å
622	Q	85.2	Confident	89.4	Confident	184 Å²	184	71.9 Å²	71.9	86%	0.86	39%	0.394	S	S	*	.			trans	-106.4	116.7	177.3	-170.6	175	21.8	0	0	111.2
623	D	83.7	Confident	89	Confident	88 Å²	88	72.8 Å²	72.8	47%	0.471	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-72.5	148.7	168.6	-73.5	-48.5	0	0	0	111	Y618	Y618-D623 PolarHBondContact OH-OD2 3.08Å
624	P	82.1	Confident	88.7	Confident	117 Å²	117	68.9 Å²	68.9	76%	0.76	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-57.1	131.1	173	-22.5	32.7	0	0	0	111
625	P	83.7	Confident	88.3	Confident	109 Å²	109	73.3 Å²	73.3	71%	0.708	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-66.4	157.5	179.5	28.3	-35	0	0	0	111.5	K627	P625-K627 PolarHBondContact O-N 3.22Å
626	E	78.4	Confident	88	Confident	152 Å²	152	74.9 Å²	74.9	71%	0.71	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-55.6	137.5	168.5	-71.3	-170.1	178.9	0	0	110	S628 K889	E626-S628 PolarHBondContact O-N 2.7Å; E626-K889 IonicContact OE2-NZ 2.83Å; E626-K889 PolarHBondContact OE2-NZ 3.21Å
627	K	75.9	Confident	87.8	Confident	211 Å²	211	74 Å²	74	92%	0.917	41%	0.405	S	S	*	.			trans	-65.3	108.6	175.5	-68	-177.5	-179.3	179.5	0	109.4	P625	P625-K627 PolarHBondContact O-N 3.22Å
628	S	82	Confident	87.7	Confident	111 Å²	111	73.9 Å²	73.9	78%	0.776	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-80.8	131	171.7	58.7	0	0	0	0	110.9	E626	E626-S628 PolarHBondContact O-N 2.7Å
629	I	86.7	Confident	87.5	Confident	49 Å²	49	75.2 Å²	75.2	25%	0.251	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-79.5	130.6	173.7	-60	162.5	0	0	0	108.5	T633 L634 Q646	I629-T633 HydrophobicContact CG2-CG2 4.07Å; I629-L634 HydrophobicContact CG2-CB 4.23Å; I629-Q646 HydrophobicContact CD1-CB 4.01Å; I629-Q646 HydrophobicContact CD1-CG 4.37Å
630	P	87.6	Confident	87.3	Confident	64 Å²	64	74.2 Å²	74.2	42%	0.416	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-55	140.3	174.7	-26.3	35	0	0	0	112.4	C632 T633 L634 D811	P630-C632 VanDerWaalsContact C-N 3.32Å; P630-C632 PolarHBondContact O-N 2.89Å; P630-T633 WeakPolarHBondContact O-CB 3.32Å; P630-T633 PolarHBondContact O-N 3.43Å; P630-T633 VanDerWaalsContact O-N 3.09Å; P630-L634 PolarHBondContact O-N 3.21Å; P630-L634 VanDerWaalsContact O-N 3.11Å; P630-D811 WeakPolarHBondContact CA-OD2 3.29Å; P630-D811 WeakPolarHBondContact CB-OD2 3.4Å
631	I	86.8	Confident	87.5	Confident	81 Å²	81	71.9 Å²	71.9	42%	0.415	39%	0.39	S	S	.	.	H	α-helix	trans	-63.5	-40.4	-172.8	-64.2	173	0	0	0	110.6	T633 L634 K635 D811 L814	I631-T633 VanDerWaalsContact C-N 3.31Å; I631-T633 PolarHBondContact O-N 3.04Å; I631-L634 PolarHBondContact O-N 3.37Å; I631-K635 HydrophobicContact CG2-CD 3.79Å; I631-K635 HydrophobicContact CG2-CG 4.14Å; I631-K635 WeakPolarHBondContact O-CB 3.18Å; I631-K635 WeakPolarHBondContact O-CG 3.41Å; I631-K635 PolarHBondContact O-N 2.75Å; I631-D811 PolarHBondContact N-OD1 3.16Å; I631-D811 VanDerWaalsContact N-OD1 3.12Å; I631-D811 PolarHBondContact N-OD2 2.83Å; I631-D811 VanDerWaalsContact N-OD2 3.09Å; I631-L814 HydrophobicContact CB-CD2 4.13Å; I631-L814 HydrophobicContact CD1-CD2 4.27Å; I631-L814 HydrophobicContact CG2-CD2 3.78Å
632	C	87	Confident	87.8	Confident	7 Å²	7	73 Å²	73	5%	0.047	39%	0.39	C	S	.	.	H	α-helix	trans	-61.1	-37.6	176	-76.9	0	0	0	0	113	P630 N636 F637 H808 S810 D811	P630-C632 VanDerWaalsContact C-N 3.32Å; P630-C632 PolarHBondContact O-N 2.89Å; C632-N636 PolarHBondContact O-N 3.26Å; C632-F637 PolarHBondContact O-N 3.5Å; C632-H808 PolarHBondContact SG-O 3.06Å; C632-S810 PolarHBondContact SG-O 3.32Å; C632-S810 VanDerWaalsContact SG-O 3.37Å; C632-D811 PolarHBondContact N-OD1 3.02Å
633	T	90.2	Very high	88.3	Confident	30 Å²	30	65.7 Å²	65.7	18%	0.184	36%	0.355	C	S	.	.	H	α-helix	trans	-66.2	-46.3	176.8	-62.4	0	0	0	0	110.8	I629 P630 I631 F637 P638 H643	I629-T633 HydrophobicContact CG2-CG2 4.07Å; P630-T633 WeakPolarHBondContact O-CB 3.32Å; P630-T633 PolarHBondContact O-N 3.43Å; P630-T633 VanDerWaalsContact O-N 3.09Å; I631-T633 VanDerWaalsContact C-N 3.31Å; I631-T633 PolarHBondContact O-N 3.04Å; T633-F637 CarbonylContact O-C 3.6Å; T633-F637 PolarHBondContact O-N 3.09Å; T633-P638 VanDerWaalsContact O-N 3.08Å; T633-H643 VanDerWaalsContact CG2-CE1 3.42Å; T633-H643 WeakPolarHBondContact CG2-CE1 3.26Å; T633-H643 VanDerWaalsContact CG2-ND1 3.3Å; T633-H643 WeakPolarHBondContact CG2-ND1 3.41Å
634	L	90.7	Very high	89	Confident	21 Å²	21	61.5 Å²	61.5	11%	0.11	33%	0.333	C	S	.	.	H	α-helix	trans	-64.9	-44.8	178.8	-171.9	153.2	0	0	0	111.7	I629 P630 I631 Q646 W647 R869	I629-L634 HydrophobicContact CG2-CB 4.23Å; P630-L634 PolarHBondContact O-N 3.21Å; P630-L634 VanDerWaalsContact O-N 3.11Å; I631-L634 PolarHBondContact O-N 3.37Å; L634-Q646 HydrophobicContact CD1-CB 4.02Å; L634-Q646 HydrophobicContact CD1-CG 3.5Å; L634-Q646 VanDerWaalsContact CD1-CG 3.5Å; L634-W647 HydrophobicContact CD2-CB 3.97Å; L634-W647 HydrophobicContact CD2-CG 4.4Å; L634-W647 HydrophobicContact CG-CB 4.13Å; L634-R869 PolarHBondContact O-NH2 3.15Å
635	K	89.9	Confident	89.7	Confident	121 Å²	121	55.9 Å²	55.9	53%	0.526	30%	0.297	S	S	.	.	H	α-helix	trans	-74.8	-40.3	-176.3	-72.7	-171.5	177.5	-176.9	0	114.3	I631 R869	I631-K635 HydrophobicContact CG2-CD 3.79Å; I631-K635 HydrophobicContact CG2-CG 4.14Å; I631-K635 WeakPolarHBondContact O-CB 3.18Å; I631-K635 WeakPolarHBondContact O-CG 3.41Å; I631-K635 PolarHBondContact O-N 2.75Å; K635-R869 PolarHBondContact O-NH2 2.98Å
636	N	91.9	Very high	90.2	Very high	34 Å²	34	53.2 Å²	53.2	18%	0.182	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-132.1	-27.3	-166.8	-58.9	-51.4	0	0	0	115.4	C632 P638 L725 I807 Y873	C632-N636 PolarHBondContact O-N 3.26Å; N636-P638 VanDerWaalsContact C-CD 3.45Å; N636-L725 HydrophobicContact CB-CD1 4.38Å; N636-I807 HydrophobicContact CB-CG2 4.41Å; N636-I807 WeakPolarHBondContact ND2-CG2 3.07Å; N636-Y873 WeakPolarHBondContact O-CE1 3.5Å; N636-Y873 PolarHBondContact O-OH 2.88Å
637	F	94.4	Very high	91.2	Very high	6 Å²	6	46.7 Å²	46.7	3%	0.026	24%	0.244	C	C	.	.			trans	-131	55.3	-169.9	-48	-67.9	0	0	0	113.2	C632 T633 L725 F729 F741 W742 K746 V809	C632-F637 PolarHBondContact O-N 3.5Å; T633-F637 CarbonylContact O-C 3.6Å; T633-F637 PolarHBondContact O-N 3.09Å; F637-L725 HydrophobicContact CE1-CD1 4.36Å; F637-F729 HydrophobicContact CZ-CE2 4.33Å; F637-F741 AromaticContact CE1-CE1 3.93Å; F637-F741 HydrophobicContact CE1-CE1 3.93Å; F637-F741 AromaticContact CE1-CZ 3.85Å; F637-F741 HydrophobicContact CE1-CZ 3.85Å; F637-F741 HydrophobicContact CZ-CE1 4.48Å; F637-F741 AromaticContact CZ-CZ 3.95Å; F637-F741 HydrophobicContact CZ-CZ 3.95Å; F637-W742 HydrophobicContact CD1-CH2 4.18Å; F637-W742 AromaticContact CD1-CZ3 3.79Å; F637-W742 HydrophobicContact CD1-CZ3 3.79Å; F637-W742 AromaticContact CE1-CH2 3.93Å; F637-W742 HydrophobicContact CE1-CH2 3.93Å; F637-W742 AromaticContact CE1-CZ3 3.96Å; F637-W742 HydrophobicContact CE1-CZ3 3.96Å; F637-K746 HydrophobicContact CB-CG 4.24Å; F637-K746 HydrophobicContact CD1-CB 4.49Å; F637-K746 HydrophobicContact CD1-CD 4.23Å; F637-K746 HydrophobicContact CD1-CG 4.17Å; F637-K746 HydrophobicContact CE1-CD 4.45Å; F637-K746 HydrophobicContact CG-CD 4.46Å; F637-K746 HydrophobicContact CG-CG 4.19Å; F637-V809 HydrophobicContact CE2-CG1 4.48Å
638	P	95.5	Very high	92.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.2	C	C	.	.			trans	-66.1	147.9	175.2	31.3	-36.6	0	0	0	110.5	T633 N636 H643 T644 Y873 I875	T633-P638 VanDerWaalsContact O-N 3.08Å; N636-P638 VanDerWaalsContact C-CD 3.45Å; P638-H643 HydrophobicContact CB-CB 3.74Å; P638-T644 HydrophobicContact CB-CG2 4.05Å; P638-T644 HydrophobicContact CG-CG2 4.42Å; P638-Y873 HydrophobicContact CG-CD1 3.86Å; P638-Y873 HydrophobicContact CG-CD2 3.56Å; P638-Y873 HydrophobicContact CG-CE1 3.97Å; P638-Y873 HydrophobicContact CG-CE2 3.69Å; P638-Y873 HydrophobicContact CG-CG 3.67Å; P638-I875 HydrophobicContact CB-CD1 3.94Å; P638-I875 HydrophobicContact CG-CD1 4.3Å
639	N	91.4	Very high	92.9	Very high	41 Å²	41	34 Å²	34	22%	0.219	17%	0.173	C	C	.	.			trans	-139.5	-7.1	177	56.4	61.3	0	0	0	113.1	H643 P745 R747	N639-H643 PolarHBondContact N-ND1 3.1Å; N639-H643 PolarHBondContact OD1-CE1 3.24Å; N639-P745 PolarHBondContact ND2-O 3.13Å; N639-R747 HydrophobicContact CB-CG 4.16Å
640	A	92.2	Very high	93.3	Very high	27 Å²	27	35.2 Å²	35.2	22%	0.223	18%	0.18	C	C	.	.	S	Bend	trans	-135.1	156.2	177.8	0	0	0	0	0	109.5	E642 H643	A640-E642 WeakPolarHBondContact CB-OE2 3.44Å; A640-E642 PolarHBondContact O-N 2.97Å; A640-H643 WeakPolarHBondContact O-CB 3.4Å; A640-H643 PolarHBondContact O-N 3.28Å; A640-H643 VanDerWaalsContact O-N 3.09Å
641	I	95.1	Very high	93.8	Very high	9 Å²	9	33.8 Å²	33.8	5%	0.046	17%	0.168	C	C	.	.	H	α-helix	trans	-66.2	-26.5	-177.1	-167.5	69.2	0	0	0	112	H643 T644 L645 A870 I875 A878	I641-H643 PolarHBondContact O-N 2.7Å; I641-T644 WeakPolarHBondContact CD1-OG1 3.28Å; I641-T644 PolarHBondContact O-N 3.05Å; I641-T644 PolarHBondContact O-OG1 3.42Å; I641-L645 HydrophobicContact CG1-CD1 3.97Å; I641-L645 HydrophobicContact CG1-CG 4.32Å; I641-L645 WeakPolarHBondContact O-CB 3.37Å; I641-L645 VanDerWaalsContact O-CG 3.32Å; I641-L645 WeakPolarHBondContact O-CG 3.33Å; I641-L645 PolarHBondContact O-N 3.41Å; I641-A870 HydrophobicContact CD1-CB 3.86Å; I641-I875 HydrophobicContact CB-CG2 4.27Å; I641-A878 HydrophobicContact CD1-CB 4.24Å; I641-A878 HydrophobicContact CG1-CB 3.64Å
642	E	94	Very high	94.3	Very high	72 Å²	72	30 Å²	30	34%	0.336	15%	0.148	S	C	.	.	H	α-helix	trans	-60.7	-35.8	174.3	-66	69	-157	0	0	111.2	A640 Q646 K882 I886	A640-E642 WeakPolarHBondContact CB-OE2 3.44Å; A640-E642 PolarHBondContact O-N 2.97Å; E642-Q646 WeakPolarHBondContact O-CB 3.45Å; E642-Q646 PolarHBondContact O-N 3.07Å; E642-K882 IonicContact OE1-NZ 3.36Å; E642-I886 HydrophobicContact CG-CD1 3.97Å
643	H	95.6	Very high	94.8	Very high	29 Å²	29	32 Å²	32	13%	0.134	16%	0.157	C	C	.	.	H	α-helix	trans	-68.7	-41.4	177.7	-55.8	166.6	0	0	0	111.4	T633 P638 N639 A640 I641 W647	T633-H643 VanDerWaalsContact CG2-CE1 3.42Å; T633-H643 WeakPolarHBondContact CG2-CE1 3.26Å; T633-H643 VanDerWaalsContact CG2-ND1 3.3Å; T633-H643 WeakPolarHBondContact CG2-ND1 3.41Å; P638-H643 HydrophobicContact CB-CB 3.74Å; N639-H643 PolarHBondContact N-ND1 3.1Å; N639-H643 PolarHBondContact OD1-CE1 3.24Å; A640-H643 WeakPolarHBondContact O-CB 3.4Å; A640-H643 PolarHBondContact O-N 3.28Å; A640-H643 VanDerWaalsContact O-N 3.09Å; I641-H643 PolarHBondContact O-N 2.7Å; H643-W647 VanDerWaalsContact O-CB 3.27Å; H643-W647 WeakPolarHBondContact O-CB 3.37Å; H643-W647 PolarHBondContact O-N 2.9Å
644	T	97.6	Very high	95	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-73.8	-31.2	178.8	61.4	0	0	0	0	111.9	P638 I641 A648 S866 R869 I875	P638-T644 HydrophobicContact CB-CG2 4.05Å; P638-T644 HydrophobicContact CG-CG2 4.42Å; I641-T644 WeakPolarHBondContact CD1-OG1 3.28Å; I641-T644 PolarHBondContact O-N 3.05Å; I641-T644 PolarHBondContact O-OG1 3.42Å; T644-A648 VanDerWaalsContact O-CB 3.23Å; T644-A648 WeakPolarHBondContact O-CB 3.37Å; T644-A648 PolarHBondContact O-N 2.87Å; T644-S866 WeakPolarHBondContact CB-OG 3.05Å; T644-S866 PolarHBondContact OG1-OG 3.37Å; T644-R869 HydrophobicContact CG2-CB 4.15Å; T644-R869 HydrophobicContact CG2-CG 3.96Å; T644-I875 HydrophobicContact CG2-CD1 4Å
645	L	96.9	Very high	95.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-71.6	-44.2	175.7	-76.3	166.2	0	0	0	112.5	I641 W647 A648 R649 I862 S866 I886	I641-L645 HydrophobicContact CG1-CD1 3.97Å; I641-L645 HydrophobicContact CG1-CG 4.32Å; I641-L645 WeakPolarHBondContact O-CB 3.37Å; I641-L645 VanDerWaalsContact O-CG 3.32Å; I641-L645 WeakPolarHBondContact O-CG 3.33Å; I641-L645 PolarHBondContact O-N 3.41Å; L645-W647 VanDerWaalsContact C-N 3.32Å; L645-A648 PolarHBondContact O-N 3.45Å; L645-R649 WeakPolarHBondContact O-CB 3.49Å; L645-R649 PolarHBondContact O-N 3.27Å; L645-I862 HydrophobicContact CD2-CG2 4.09Å; L645-S866 WeakPolarHBondContact CD2-OG 3.38Å; L645-S866 WeakPolarHBondContact CG-OG 2.92Å; L645-S866 PolarHBondContact N-OG 2.81Å; L645-I886 HydrophobicContact CB-CG2 3.94Å; L645-I886 HydrophobicContact CD1-CB 3.92Å; L645-I886 HydrophobicContact CD1-CD1 3.47Å; L645-I886 VanDerWaalsContact CD1-CD1 3.47Å; L645-I886 HydrophobicContact CD1-CG1 4.27Å; L645-I886 HydrophobicContact CD1-CG2 4.08Å
646	Q	95.4	Very high	95.7	Very high	53 Å²	53	27.1 Å²	27.1	25%	0.248	15%	0.145	C	C	.	.	H	α-helix	trans	-62.7	-43.1	173.4	-175.2	60.8	55.3	0	0	110.5	I629 L634 E642 A648 R649 D650	I629-Q646 HydrophobicContact CD1-CB 4.01Å; I629-Q646 HydrophobicContact CD1-CG 4.37Å; L634-Q646 HydrophobicContact CD1-CB 4.02Å; L634-Q646 HydrophobicContact CD1-CG 3.5Å; L634-Q646 VanDerWaalsContact CD1-CG 3.5Å; E642-Q646 WeakPolarHBondContact O-CB 3.45Å; E642-Q646 PolarHBondContact O-N 3.07Å; Q646-A648 PolarHBondContact O-N 3.23Å; Q646-R649 PolarHBondContact O-N 3.11Å; Q646-D650 PolarHBondContact NE2-OD1 3.14Å; Q646-D650 VanDerWaalsContact O-CG 3.29Å; Q646-D650 PolarHBondContact O-N 2.81Å
647	W	97.6	Very high	96	Very high	15 Å²	15	27.4 Å²	27.4	6%	0.057	14%	0.144	C	C	.	.	H	α-helix	trans	-58.9	-45.1	173.2	172.5	86.2	0	0	0	112.6	L634 H643 L645 R649 D650 E651 Q717 Y718 A865 R869	L634-W647 HydrophobicContact CD2-CB 3.97Å; L634-W647 HydrophobicContact CD2-CG 4.4Å; L634-W647 HydrophobicContact CG-CB 4.13Å; H643-W647 VanDerWaalsContact O-CB 3.27Å; H643-W647 WeakPolarHBondContact O-CB 3.37Å; H643-W647 PolarHBondContact O-N 2.9Å; L645-W647 VanDerWaalsContact C-N 3.32Å; W647-R649 VanDerWaalsContact C-N 3.26Å; W647-R649 PolarHBondContact O-N 2.64Å; W647-D650 PolarHBondContact O-N 3.06Å; W647-E651 HydrophobicContact CD2-CG 3.9Å; W647-E651 VanDerWaalsContact CE2-CG 3.5Å; W647-E651 HydrophobicContact CE3-CG 4.16Å; W647-E651 HydrophobicContact CH2-CG 3.74Å; W647-E651 HydrophobicContact CZ2-CG 3.44Å; W647-E651 VanDerWaalsContact CZ2-CG 3.44Å; W647-E651 HydrophobicContact CZ3-CG 4.08Å; W647-E651 WeakPolarHBondContact O-CG 3.39Å; W647-E651 PolarHBondContact O-N 2.86Å; W647-Q717 HydrophobicContact CH2-CG 3.57Å; W647-Q717 HydrophobicContact CZ2-CG 3.42Å; W647-Q717 VanDerWaalsContact CZ2-CG 3.42Å; W647-Y718 AromaticContact CH2-CE1 3.79Å; W647-Y718 HydrophobicContact CH2-CE1 3.79Å; W647-Y718 HydrophobicContact CZ3-CE1 4.13Å; W647-A865 HydrophobicContact CZ3-CB 4.25Å; W647-R869 HydrophobicContact CE3-CB 4.28Å; W647-R869 HydrophobicContact CE3-CG 4.42Å; W647-R869 HydrophobicContact CZ3-CB 4.09Å
648	A	98	Very high	96	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-66	-31.3	179.7	0	0	0	0	0	112.1	T644 L645 Q646 F652 I862 A865	T644-A648 VanDerWaalsContact O-CB 3.23Å; T644-A648 WeakPolarHBondContact O-CB 3.37Å; T644-A648 PolarHBondContact O-N 2.87Å; L645-A648 PolarHBondContact O-N 3.45Å; Q646-A648 PolarHBondContact O-N 3.23Å; A648-F652 PolarHBondContact O-N 2.97Å; A648-I862 HydrophobicContact CB-CG2 4.12Å; A648-A865 HydrophobicContact CB-CB 3.98Å
649	R	96.2	Very high	96	Very high	55 Å²	55	31.9 Å²	31.9	21%	0.208	17%	0.166	C	C	.	.	H	α-helix	trans	-69.1	-43.3	172.6	177.7	54.4	-169.6	-99	7.1	111.9	L645 Q646 W647 E651 F652 E653 F849 I862 A887	L645-R649 WeakPolarHBondContact O-CB 3.49Å; L645-R649 PolarHBondContact O-N 3.27Å; Q646-R649 PolarHBondContact O-N 3.11Å; W647-R649 VanDerWaalsContact C-N 3.26Å; W647-R649 PolarHBondContact O-N 2.64Å; R649-E651 VanDerWaalsContact C-N 3.3Å; R649-E651 PolarHBondContact O-N 3.48Å; R649-F652 WeakPolarHBondContact O-CB 3.41Å; R649-F652 PolarHBondContact O-N 2.99Å; R649-E653 IonicContact NE-OE2 2.79Å; R649-E653 IonicContact NH2-OE2 3.82Å; R649-E653 PolarHBondContact O-N 2.89Å; R649-E653 VanDerWaalsContact O-N 3.12Å; R649-F849 VanDerWaalsContact NH2-CD1 3.27Å; R649-F849 VanDerWaalsContact NH2-CG 3.3Å; R649-I862 HydrophobicContact CB-CD1 4.4Å; R649-A887 PolarHBondContact NH1-O 3.17Å
650	D	95.5	Very high	96.3	Very high	74 Å²	74	29.9 Å²	29.9	40%	0.396	16%	0.156	S	C	.	.	H	α-helix	trans	-63.7	-37.9	175.6	-63.7	-5.7	0	0	0	110.9	Q646 W647 E653 G654	Q646-D650 PolarHBondContact NE2-OD1 3.14Å; Q646-D650 VanDerWaalsContact O-CG 3.29Å; Q646-D650 PolarHBondContact O-N 2.81Å; W647-D650 PolarHBondContact O-N 3.06Å; D650-E653 PolarHBondContact O-N 3.06Å; D650-G654 PolarHBondContact O-N 3.31Å
651	E	97.2	Very high	96.5	Very high	35 Å²	35	31.5 Å²	31.5	16%	0.164	16%	0.159	C	C	.	.	H	α-helix	trans	-62.3	-43.5	172.5	-75.7	-81.1	118.8	0	0	112.1	W647 R649 E653 G654 L655 H713 Q717 F861	W647-E651 HydrophobicContact CD2-CG 3.9Å; W647-E651 VanDerWaalsContact CE2-CG 3.5Å; W647-E651 HydrophobicContact CE3-CG 4.16Å; W647-E651 HydrophobicContact CH2-CG 3.74Å; W647-E651 HydrophobicContact CZ2-CG 3.44Å; W647-E651 VanDerWaalsContact CZ2-CG 3.44Å; W647-E651 HydrophobicContact CZ3-CG 4.08Å; W647-E651 WeakPolarHBondContact O-CG 3.39Å; W647-E651 PolarHBondContact O-N 2.86Å; R649-E651 VanDerWaalsContact C-N 3.3Å; R649-E651 PolarHBondContact O-N 3.48Å; E651-E653 PolarHBondContact O-N 2.99Å; E651-G654 PolarHBondContact O-N 3.21Å; E651-L655 HydrophobicContact CB-CD1 4.45Å; E651-L655 VanDerWaalsContact O-CB 3.25Å; E651-L655 WeakPolarHBondContact O-CB 3.37Å; E651-L655 WeakPolarHBondContact O-CG 3.45Å; E651-L655 PolarHBondContact O-N 2.92Å; E651-H713 IonicContact OE2-CE1 3.89Å; E651-H713 PolarHBondContact OE2-CE1 2.82Å; E651-H713 IonicContact OE2-NE2 2.84Å; E651-Q717 PolarHBondContact OE1-NE2 2.78Å; E651-Q717 PolarHBondContact OE2-NE2 2.97Å; E651-F861 HydrophobicContact CB-CE1 4.4Å; E651-F861 HydrophobicContact CB-CZ 4.47Å
652	F	98.3	Very high	96.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-57.8	-50.8	176.3	177	-84.9	0	0	0	111	A648 R649 G654 L655 F656 L771 I847 F849 H858 F861 I862	A648-F652 PolarHBondContact O-N 2.97Å; R649-F652 WeakPolarHBondContact O-CB 3.41Å; R649-F652 PolarHBondContact O-N 2.99Å; F652-G654 PolarHBondContact O-N 3.3Å; F652-L655 PolarHBondContact O-N 3.47Å; F652-F656 AromaticContact CD2-CD2 3.67Å; F652-F656 HydrophobicContact CD2-CD2 3.67Å; F652-F656 HydrophobicContact CD2-CE2 4.02Å; F652-F656 AromaticContact CE2-CD2 3.98Å; F652-F656 HydrophobicContact CE2-CD2 3.98Å; F652-F656 HydrophobicContact CG-CD2 4.09Å; F652-F656 VanDerWaalsContact O-CD2 3.3Å; F652-F656 WeakPolarHBondContact O-CD2 3.47Å; F652-F656 PolarHBondContact O-N 3.35Å; F652-F656 VanDerWaalsContact O-N 3.07Å; F652-L771 HydrophobicContact CD2-CD1 4.05Å; F652-L771 HydrophobicContact CE2-CD1 3.73Å; F652-L771 HydrophobicContact CE2-CD2 4.17Å; F652-I847 HydrophobicContact CE1-CG2 4.46Å; F652-I847 HydrophobicContact CZ-CB 4.47Å; F652-I847 HydrophobicContact CZ-CG2 3.77Å; F652-F849 HydrophobicContact CD1-CB 4.31Å; F652-F849 HydrophobicContact CD1-CD2 4.16Å; F652-F849 HydrophobicContact CE1-CB 3.77Å; F652-F849 AromaticContact CE1-CD2 3.96Å; F652-F849 HydrophobicContact CE1-CD2 3.96Å; F652-F849 HydrophobicContact CE1-CG 4.37Å; F652-F849 HydrophobicContact CZ-CD2 4.24Å; F652-H858 HydrophobicContact CE2-CB 3.97Å; F652-H858 AromaticContact CE2-CD2 3.67Å; F652-H858 AromaticContact CE2-CG 3.89Å; F652-H858 HydrophobicContact CZ-CB 4.17Å; F652-H858 AromaticContact CZ-CD2 3.55Å; F652-H858 AromaticContact CZ-CG 3.72Å; F652-H858 AromaticContact CZ-NE2 3.99Å; F652-F861 HydrophobicContact CB-CD1 3.93Å; F652-F861 HydrophobicContact CB-CE1 3.83Å; F652-F861 AromaticContact CD2-CD1 3.78Å; F652-F861 HydrophobicContact CD2-CD1 3.78Å; F652-F861 HydrophobicContact CD2-CE1 4.39Å; F652-F861 HydrophobicContact CD2-CG 4.42Å; F652-F861 HydrophobicContact CG-CD1 4.36Å; F652-I862 HydrophobicContact CB-CG1 4.29Å
653	E	96.3	Very high	96.6	Very high	49 Å²	49	28.3 Å²	28.3	23%	0.229	14%	0.144	C	C	.	.	I	π-helix	trans	-63.4	-43.4	180	-159.3	84.6	-174.6	0	0	111	R649 D650 E651 L655 K657 Q658	R649-E653 IonicContact NE-OE2 2.79Å; R649-E653 IonicContact NH2-OE2 3.82Å; R649-E653 PolarHBondContact O-N 2.89Å; R649-E653 VanDerWaalsContact O-N 3.12Å; D650-E653 PolarHBondContact O-N 3.06Å; E651-E653 PolarHBondContact O-N 2.99Å; E653-L655 PolarHBondContact O-N 3.4Å; E653-K657 PolarHBondContact O-N 3.17Å; E653-K657 VanDerWaalsContact O-N 3.15Å; E653-K657 WeakPolarHBondContact OE1-CD 3.3Å; E653-K657 VanDerWaalsContact OE1-CE 3.24Å; E653-K657 WeakPolarHBondContact OE1-CE 3.32Å; E653-K657 IonicContact OE1-NZ 3.72Å; E653-K657 PolarHBondContact OE1-NZ 3.42Å; E653-Q658 PolarHBondContact O-N 2.93Å
654	G	95.4	Very high	96.6	Very high	39 Å²	39	27.9 Å²	27.9	40%	0.402	14%	0.143	S	C	.	.	I	π-helix	trans	-71.9	-22.9	-177.8	0	0	0	0	0	115.1	D650 E651 F652 P659	D650-G654 PolarHBondContact O-N 3.31Å; E651-G654 PolarHBondContact O-N 3.21Å; F652-G654 PolarHBondContact O-N 3.3Å; G654-P659 WeakPolarHBondContact O-CD 3.12Å; G654-P659 WeakPolarHBondContact O-CG 3.44Å
655	L	97.1	Very high	96.5	Very high	32 Å²	32	31.8 Å²	31.8	17%	0.168	16%	0.161	C	C	.	.	I	π-helix	trans	-96.3	-38.4	179.2	-67.4	171.1	0	0	0	113.1	E651 F652 E653 W709 F861	E651-L655 HydrophobicContact CB-CD1 4.45Å; E651-L655 VanDerWaalsContact O-CB 3.25Å; E651-L655 WeakPolarHBondContact O-CB 3.37Å; E651-L655 WeakPolarHBondContact O-CG 3.45Å; E651-L655 PolarHBondContact O-N 2.92Å; F652-L655 PolarHBondContact O-N 3.47Å; E653-L655 PolarHBondContact O-N 3.4Å; L655-W709 HydrophobicContact CD1-CH2 4.39Å; L655-W709 HydrophobicContact CD2-CH2 4.43Å; L655-W709 HydrophobicContact CD2-CZ2 4.13Å; L655-F861 HydrophobicContact CD1-CZ 3.96Å
656	F	98.1	Very high	96.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.165	C	C	.	.	I	π-helix	trans	-112.5	-20.8	-167.4	-50.6	-58.2	0	0	0	114.6	F652 W709 L771 F772 I847 F861	F652-F656 AromaticContact CD2-CD2 3.67Å; F652-F656 HydrophobicContact CD2-CD2 3.67Å; F652-F656 HydrophobicContact CD2-CE2 4.02Å; F652-F656 AromaticContact CE2-CD2 3.98Å; F652-F656 HydrophobicContact CE2-CD2 3.98Å; F652-F656 HydrophobicContact CG-CD2 4.09Å; F652-F656 VanDerWaalsContact O-CD2 3.3Å; F652-F656 WeakPolarHBondContact O-CD2 3.47Å; F652-F656 PolarHBondContact O-N 3.35Å; F652-F656 VanDerWaalsContact O-N 3.07Å; F656-W709 AromaticContact CE1-CH2 3.83Å; F656-W709 HydrophobicContact CE1-CH2 3.83Å; F656-W709 HydrophobicContact CE1-CZ3 4.1Å; F656-W709 HydrophobicContact CZ-CH2 4.25Å; F656-W709 HydrophobicContact CZ-CZ3 4.49Å; F656-L771 HydrophobicContact CD1-CB 3.71Å; F656-L771 HydrophobicContact CD2-CB 4.06Å; F656-L771 HydrophobicContact CD2-CD1 3.9Å; F656-L771 HydrophobicContact CE1-CB 3.61Å; F656-L771 HydrophobicContact CE2-CB 3.97Å; F656-L771 HydrophobicContact CE2-CD1 3.54Å; F656-L771 HydrophobicContact CE2-CG 4.4Å; F656-L771 HydrophobicContact CG-CB 3.95Å; F656-L771 HydrophobicContact CZ-CB 3.75Å; F656-L771 HydrophobicContact CZ-CD1 3.96Å; F656-F772 HydrophobicContact CE1-CB 4.38Å; F656-I847 HydrophobicContact CB-CB 4.23Å; F656-I847 HydrophobicContact CB-CD1 4.1Å; F656-I847 HydrophobicContact CB-CG1 4.3Å; F656-I847 PolarHBondContact O-N 2.74Å; F656-F861 HydrophobicContact CE2-CD1 4.05Å; F656-F861 AromaticContact CE2-CD2 3.94Å; F656-F861 HydrophobicContact CE2-CD2 3.94Å; F656-F861 AromaticContact CE2-CE1 3.92Å; F656-F861 HydrophobicContact CE2-CE1 3.92Å; F656-F861 AromaticContact CE2-CE2 3.79Å; F656-F861 HydrophobicContact CE2-CE2 3.79Å; F656-F861 HydrophobicContact CE2-CG 4.06Å; F656-F861 AromaticContact CE2-CZ 3.78Å; F656-F861 HydrophobicContact CE2-CZ 3.78Å; F656-F861 HydrophobicContact CZ-CD2 4.08Å; F656-F861 AromaticContact CZ-CE2 3.82Å; F656-F861 HydrophobicContact CZ-CE2 3.82Å; F656-F861 HydrophobicContact CZ-CZ 4.16Å
657	K	97.6	Very high	96.4	Very high	39 Å²	39	32 Å²	32	17%	0.17	16%	0.162	C	C	.	.	I	π-helix	trans	-110	-60.9	-179.6	177.5	159.9	159.5	-157.5	0	113.3	E653 A660 E661 P846 D848	E653-K657 PolarHBondContact O-N 3.17Å; E653-K657 VanDerWaalsContact O-N 3.15Å; E653-K657 WeakPolarHBondContact OE1-CD 3.3Å; E653-K657 VanDerWaalsContact OE1-CE 3.24Å; E653-K657 WeakPolarHBondContact OE1-CE 3.32Å; E653-K657 IonicContact OE1-NZ 3.72Å; E653-K657 PolarHBondContact OE1-NZ 3.42Å; K657-A660 WeakPolarHBondContact O-CB 3.42Å; K657-A660 PolarHBondContact O-N 3.24Å; K657-A660 VanDerWaalsContact O-N 3.11Å; K657-E661 WeakPolarHBondContact CE-OE1 3.43Å; K657-E661 HydrophobicContact CG-CG 4.29Å; K657-E661 PolarHBondContact O-N 3.1Å; K657-P846 HydrophobicContact CG-CB 4.13Å; K657-D848 IonicContact NZ-OD1 3.69Å; K657-D848 PolarHBondContact NZ-OD1 2.78Å
658	Q	95.3	Very high	96.2	Very high	85 Å²	85	36.6 Å²	36.6	40%	0.397	19%	0.192	S	C	.	.	H	α-helix	trans	-57.1	-43.9	-173.3	-169	67.7	55.1	0	0	113.1	E653 A660 E661 N662	E653-Q658 PolarHBondContact O-N 2.93Å; Q658-A660 PolarHBondContact O-N 3.06Å; Q658-E661 PolarHBondContact O-N 2.78Å; Q658-N662 PolarHBondContact NE2-OD1 2.92Å; Q658-N662 VanDerWaalsContact NE2-OD1 3.09Å; Q658-N662 WeakPolarHBondContact O-CB 3.28Å; Q658-N662 PolarHBondContact O-N 3.3Å; Q658-N662 PolarHBondContact O-ND2 2.93Å
659	P	95.8	Very high	95.9	Very high	15 Å²	15	38.4 Å²	38.4	10%	0.097	20%	0.202	C	C	.	.	H	α-helix	trans	-65.4	-39.2	177.8	-21.8	35.2	0	0	0	112.7	G654 N662 V663	G654-P659 WeakPolarHBondContact O-CD 3.12Å; G654-P659 WeakPolarHBondContact O-CG 3.44Å; P659-N662 PolarHBondContact O-N 2.86Å; P659-V663 WeakPolarHBondContact O-CB 3.41Å; P659-V663 WeakPolarHBondContact O-CG2 3.35Å; P659-V663 PolarHBondContact O-N 3.33Å
660	A	97.1	Very high	95.7	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-65.3	-42.3	177.2	0	0	0	0	0	112.2	K657 Q658 V663 N664 T775 M844 P846	K657-A660 WeakPolarHBondContact O-CB 3.42Å; K657-A660 PolarHBondContact O-N 3.24Å; K657-A660 VanDerWaalsContact O-N 3.11Å; Q658-A660 PolarHBondContact O-N 3.06Å; A660-V663 PolarHBondContact O-N 3.14Å; A660-N664 WeakPolarHBondContact O-CB 3.37Å; A660-N664 PolarHBondContact O-N 3.33Å; A660-N664 PolarHBondContact O-ND2 3.3Å; A660-T775 HydrophobicContact CB-CG2 3.85Å; A660-M844 HydrophobicContact CB-CB 3.76Å; A660-M844 HydrophobicContact CB-CE 4.14Å; A660-P846 HydrophobicContact CB-CB 3.89Å
661	E	96.3	Very high	95.6	Very high	61 Å²	61	44.9 Å²	44.9	29%	0.285	24%	0.241	S	C	.	.	H	α-helix	trans	-62.6	-46.3	173.9	-70.9	-174.7	171.6	0	0	111.7	K657 Q658 V663 N664 Q665 P846	K657-E661 WeakPolarHBondContact CE-OE1 3.43Å; K657-E661 HydrophobicContact CG-CG 4.29Å; K657-E661 PolarHBondContact O-N 3.1Å; Q658-E661 PolarHBondContact O-N 2.78Å; E661-V663 PolarHBondContact O-N 2.95Å; E661-N664 PolarHBondContact O-N 2.88Å; E661-Q665 WeakPolarHBondContact O-CG 3.31Å; E661-Q665 PolarHBondContact O-N 2.88Å; E661-P846 HydrophobicContact CG-CB 3.86Å; E661-P846 HydrophobicContact CG-CG 4.21Å
662	N	95.3	Very high	95.5	Very high	13 Å²	13	43.4 Å²	43.4	7%	0.07	23%	0.234	C	C	.	.	H	α-helix	trans	-60.5	-43.9	178	-70	-14.3	0	0	0	111.6	Q658 P659 Q665 Y666 F672 V691	Q658-N662 PolarHBondContact NE2-OD1 2.92Å; Q658-N662 VanDerWaalsContact NE2-OD1 3.09Å; Q658-N662 WeakPolarHBondContact O-CB 3.28Å; Q658-N662 PolarHBondContact O-N 3.3Å; Q658-N662 PolarHBondContact O-ND2 2.93Å; P659-N662 PolarHBondContact O-N 2.86Å; N662-Q665 PolarHBondContact O-N 2.9Å; N662-Y666 WeakPolarHBondContact O-CB 3.37Å; N662-Y666 PolarHBondContact O-N 2.99Å; N662-F672 HydrophobicContact CB-CZ 4.27Å; N662-V691 HydrophobicContact CB-CG2 3.94Å
663	V	96.3	Very high	95.2	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-62.2	-46.3	175.1	168	0	0	0	0	110.9	P659 A660 E661 Q665 Y666 L667 V691 L695 F842 M844	P659-V663 WeakPolarHBondContact O-CB 3.41Å; P659-V663 WeakPolarHBondContact O-CG2 3.35Å; P659-V663 PolarHBondContact O-N 3.33Å; A660-V663 PolarHBondContact O-N 3.14Å; E661-V663 PolarHBondContact O-N 2.95Å; V663-Q665 PolarHBondContact O-N 3.44Å; V663-Y666 WeakPolarHBondContact O-CB 3.31Å; V663-Y666 PolarHBondContact O-N 3.35Å; V663-L667 HydrophobicContact CG1-CD1 3.71Å; V663-L667 HydrophobicContact CG1-CG 4.32Å; V663-L667 VanDerWaalsContact O-CG 3.25Å; V663-L667 WeakPolarHBondContact O-CG 3.42Å; V663-L667 PolarHBondContact O-N 2.79Å; V663-V691 HydrophobicContact CG2-CG1 4.44Å; V663-L695 HydrophobicContact CG1-CD2 3.61Å; V663-L695 HydrophobicContact CG1-CG 4.29Å; V663-L695 HydrophobicContact CG2-CD2 4.35Å; V663-L695 HydrophobicContact CG2-CG 4.27Å; V663-F842 HydrophobicContact CG1-CE1 4.18Å; V663-M844 HydrophobicContact CB-SD 3.73Å; V663-M844 HydrophobicContact CG1-CG 4.12Å; V663-M844 HydrophobicContact CG1-SD 3.69Å; V663-M844 HydrophobicContact CG2-SD 3.6Å
664	N	96.2	Very high	94.9	Very high	21 Å²	21	47.8 Å²	47.8	11%	0.112	26%	0.257	C	S	.	.	H	α-helix	trans	-63.5	-41.1	180	-73	-18.4	0	0	0	112	A660 E661 L667 T668 K843 M844	A660-N664 WeakPolarHBondContact O-CB 3.37Å; A660-N664 PolarHBondContact O-N 3.33Å; A660-N664 PolarHBondContact O-ND2 3.3Å; E661-N664 PolarHBondContact O-N 2.88Å; N664-L667 PolarHBondContact O-N 3.16Å; N664-T668 WeakPolarHBondContact O-CB 3.47Å; N664-T668 WeakPolarHBondContact O-CG2 3.44Å; N664-T668 PolarHBondContact O-N 2.95Å; N664-T668 VanDerWaalsContact O-N 3.11Å; N664-T668 PolarHBondContact O-OG1 3Å; N664-K843 WeakPolarHBondContact OD1-CG 3.23Å; N664-M844 PolarHBondContact ND2-O 3.08Å; N664-M844 PolarHBondContact OD1-N 3.02Å; N664-M844 VanDerWaalsContact OD1-N 3.08Å; N664-M844 PolarHBondContact OD1-O 3.41Å
665	Q	95.2	Very high	94.7	Very high	82 Å²	82	52.9 Å²	52.9	38%	0.383	26%	0.264	S	S	.	.	H	α-helix	trans	-66.2	-41.9	174.7	-69	-178.9	28.7	0	0	111.7	E661 N662 V663 L667 T668 D669 F672	E661-Q665 WeakPolarHBondContact O-CG 3.31Å; E661-Q665 PolarHBondContact O-N 2.88Å; N662-Q665 PolarHBondContact O-N 2.9Å; V663-Q665 PolarHBondContact O-N 3.44Å; Q665-L667 VanDerWaalsContact C-N 3.28Å; Q665-L667 PolarHBondContact O-N 3.23Å; Q665-T668 PolarHBondContact O-N 3.4Å; Q665-D669 PolarHBondContact O-N 3.22Å; Q665-F672 HydrophobicContact CB-CD2 3.46Å; Q665-F672 VanDerWaalsContact CB-CD2 3.46Å; Q665-F672 HydrophobicContact CB-CE2 3.62Å; Q665-F672 HydrophobicContact CB-CG 4.37Å
666	Y	95.3	Very high	94.5	Very high	22 Å²	22	51.7 Å²	51.7	9%	0.086	26%	0.259	C	S	.	.	H	α-helix	trans	-57.5	-40	174.2	172	-103.7	0	0	0	112.6	N662 V663 F672 V673 V691 L695 L833 P834 P836	N662-Y666 WeakPolarHBondContact O-CB 3.37Å; N662-Y666 PolarHBondContact O-N 2.99Å; V663-Y666 WeakPolarHBondContact O-CB 3.31Å; V663-Y666 PolarHBondContact O-N 3.35Å; Y666-F672 AromaticContact CD2-CD1 3.94Å; Y666-F672 HydrophobicContact CD2-CD1 3.94Å; Y666-F672 HydrophobicContact CD2-CE1 4.47Å; Y666-F672 HydrophobicContact CG-CD1 4.36Å; Y666-V673 HydrophobicContact CD2-CG2 3.94Å; Y666-V673 HydrophobicContact CE2-CG2 3.82Å; Y666-V691 HydrophobicContact CD1-CG1 3.96Å; Y666-V691 HydrophobicContact CE1-CG1 4.47Å; Y666-V691 HydrophobicContact CG-CG1 3.99Å; Y666-L695 HydrophobicContact CD1-CD1 3.75Å; Y666-L695 HydrophobicContact CE1-CD1 3.68Å; Y666-L833 HydrophobicContact CE2-CD1 4.41Å; Y666-P834 WeakPolarHBondContact CE1-O 3.36Å; Y666-P834 PolarHBondContact OH-O 2.95Å; Y666-P836 HydrophobicContact CE1-CG 4.03Å
667	L	94.4	Very high	94.1	Very high	35 Å²	35	54.5 Å²	54.5	18%	0.183	27%	0.273	C	S	.	.	H	α-helix	trans	-79.4	-17.1	-179.5	-64.4	172.8	0	0	0	113.7	V663 N664 Q665 P836 L839 F842	V663-L667 HydrophobicContact CG1-CD1 3.71Å; V663-L667 HydrophobicContact CG1-CG 4.32Å; V663-L667 VanDerWaalsContact O-CG 3.25Å; V663-L667 WeakPolarHBondContact O-CG 3.42Å; V663-L667 PolarHBondContact O-N 2.79Å; N664-L667 PolarHBondContact O-N 3.16Å; Q665-L667 VanDerWaalsContact C-N 3.28Å; Q665-L667 PolarHBondContact O-N 3.23Å; L667-P836 HydrophobicContact CD2-CB 4.11Å; L667-P836 HydrophobicContact CD2-CG 4.49Å; L667-L839 HydrophobicContact CD2-CB 4.32Å; L667-L839 HydrophobicContact CD2-CD1 4.3Å; L667-F842 HydrophobicContact CD1-CD1 3.91Å; L667-F842 WeakPolarHBondContact CD1-O 3.33Å
668	T	92.9	Very high	93.7	Very high	112 Å²	112	61.6 Å²	61.6	69%	0.687	30%	0.299	S	S	*	.	H	α-helix	trans	-116.9	-33.6	-172.7	56	0	0	0	0	115.2	N664 Q665 P670	N664-T668 WeakPolarHBondContact O-CB 3.47Å; N664-T668 WeakPolarHBondContact O-CG2 3.44Å; N664-T668 PolarHBondContact O-N 2.95Å; N664-T668 VanDerWaalsContact O-N 3.11Å; N664-T668 PolarHBondContact O-OG1 3Å; Q665-T668 PolarHBondContact O-N 3.4Å; T668-P670 WeakPolarHBondContact O-CD 3.44Å
669	D	92.9	Very high	93.3	Very high	37 Å²	37	61 Å²	61	20%	0.198	30%	0.298	C	S	.	.			trans	-98.2	107.5	175.7	178.5	12.4	0	0	0	110.1	Q665 K671 F672 R675	Q665-D669 PolarHBondContact O-N 3.22Å; D669-K671 PolarHBondContact O-N 3.22Å; D669-K671 WeakPolarHBondContact OD1-CB 3.37Å; D669-K671 PolarHBondContact OD1-N 3.25Å; D669-F672 HydrophobicContact CB-CB 4.29Å; D669-F672 VanDerWaalsContact O-CB 3.27Å; D669-F672 WeakPolarHBondContact O-CB 3.49Å; D669-F672 PolarHBondContact O-N 2.9Å; D669-R675 IonicContact OD2-CZ 3.63Å; D669-R675 IonicContact OD2-NE 3.93Å; D669-R675 IonicContact OD2-NH2 3.92Å; D669-R675 PolarHBondContact OD2-NH2 2.95Å
670	P	91.9	Very high	92.6	Very high	130 Å²	130	64 Å²	64	84%	0.844	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-17.4	177.4	-23.1	34.3	0	0	0	113.9	T668	T668-P670 WeakPolarHBondContact O-CD 3.44Å
671	K	93.6	Very high	91.7	Very high	136 Å²	136	65.8 Å²	65.8	59%	0.591	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	6	178.8	-57.5	-175.4	-179.2	-177.5	0	113.3	D669 V673 E674 R675	D669-K671 PolarHBondContact O-N 3.22Å; D669-K671 WeakPolarHBondContact OD1-CB 3.37Å; D669-K671 PolarHBondContact OD1-N 3.25Å; K671-V673 PolarHBondContact O-N 3.3Å; K671-E674 PolarHBondContact O-N 3.45Å; K671-R675 WeakPolarHBondContact O-CB 3.34Å; K671-R675 PolarHBondContact O-N 3.41Å
672	F	93.6	Very high	90.9	Very high	4 Å²	4	65.4 Å²	65.4	2%	0.018	35%	0.345	C	S	.	.	H	α-helix	trans	-55.6	-51.7	-177.3	177	-96.9	0	0	0	112	N662 Q665 Y666 D669 E674 R675 T676 V687 V691	N662-F672 HydrophobicContact CB-CZ 4.27Å; Q665-F672 HydrophobicContact CB-CD2 3.46Å; Q665-F672 VanDerWaalsContact CB-CD2 3.46Å; Q665-F672 HydrophobicContact CB-CE2 3.62Å; Q665-F672 HydrophobicContact CB-CG 4.37Å; Y666-F672 AromaticContact CD2-CD1 3.94Å; Y666-F672 HydrophobicContact CD2-CD1 3.94Å; Y666-F672 HydrophobicContact CD2-CE1 4.47Å; Y666-F672 HydrophobicContact CG-CD1 4.36Å; D669-F672 HydrophobicContact CB-CB 4.29Å; D669-F672 VanDerWaalsContact O-CB 3.27Å; D669-F672 WeakPolarHBondContact O-CB 3.49Å; D669-F672 PolarHBondContact O-N 2.9Å; F672-E674 VanDerWaalsContact C-N 3.34Å; F672-E674 PolarHBondContact O-N 2.64Å; F672-R675 WeakPolarHBondContact O-CB 3.28Å; F672-R675 PolarHBondContact O-N 3.17Å; F672-R675 VanDerWaalsContact O-N 3.16Å; F672-T676 WeakPolarHBondContact O-CB 3.16Å; F672-T676 PolarHBondContact O-N 3.16Å; F672-T676 PolarHBondContact O-OG1 3.18Å; F672-V687 HydrophobicContact CE1-CG1 4.18Å; F672-V687 HydrophobicContact CZ-CG1 3.7Å; F672-V691 HydrophobicContact CE1-CG2 4.33Å
673	V	92.1	Very high	90.4	Very high	43 Å²	43	69.5 Å²	69.5	26%	0.261	36%	0.363	S	S	.	.	H	α-helix	trans	-60.1	-45.1	-179.3	-179.7	0	0	0	0	110.9	Y666 K671 R675 T676 L677 K830	Y666-V673 HydrophobicContact CD2-CG2 3.94Å; Y666-V673 HydrophobicContact CE2-CG2 3.82Å; K671-V673 PolarHBondContact O-N 3.3Å; V673-R675 VanDerWaalsContact C-N 3.33Å; V673-R675 PolarHBondContact O-N 3.29Å; V673-T676 PolarHBondContact O-N 3.04Å; V673-L677 HydrophobicContact CG1-CD1 4.06Å; V673-L677 HydrophobicContact CG1-CG 4.46Å; V673-L677 WeakPolarHBondContact O-CG 3.42Å; V673-L677 PolarHBondContact O-N 3.27Å; V673-K830 HydrophobicContact CG1-CG 4.47Å
674	E	91.2	Very high	90.1	Very high	97 Å²	97	69.7 Å²	69.7	45%	0.453	37%	0.365	S	S	.	.	H	α-helix	trans	-61.2	-41	177.5	-173.3	-174.2	179.6	0	0	112.1	K671 F672 R678	K671-E674 PolarHBondContact O-N 3.45Å; F672-E674 VanDerWaalsContact C-N 3.34Å; F672-E674 PolarHBondContact O-N 2.64Å; E674-R678 WeakPolarHBondContact O-CG 3.39Å; E674-R678 IonicContact OE1-CZ 2.94Å; E674-R678 IonicContact OE1-NE 3.27Å; E674-R678 IonicContact OE1-NH2 3.15Å; E674-R678 PolarHBondContact OE1-NH2 3.19Å
675	R	91.3	Very high	89.8	Confident	146 Å²	146	70.4 Å²	70.4	55%	0.551	37%	0.368	S	S	*	.	H	α-helix	trans	-66	-45.8	177.9	-170.7	-168.8	-53.5	-137.1	5.3	111.4	D669 K671 F672 V673 L677 R678	D669-R675 IonicContact OD2-CZ 3.63Å; D669-R675 IonicContact OD2-NE 3.93Å; D669-R675 IonicContact OD2-NH2 3.92Å; D669-R675 PolarHBondContact OD2-NH2 2.95Å; K671-R675 WeakPolarHBondContact O-CB 3.34Å; K671-R675 PolarHBondContact O-N 3.41Å; F672-R675 WeakPolarHBondContact O-CB 3.28Å; F672-R675 PolarHBondContact O-N 3.17Å; F672-R675 VanDerWaalsContact O-N 3.16Å; V673-R675 VanDerWaalsContact C-N 3.33Å; V673-R675 PolarHBondContact O-N 3.29Å; R675-L677 VanDerWaalsContact C-N 3.31Å; R675-L677 PolarHBondContact O-N 3.12Å; R675-R678 WeakPolarHBondContact O-CB 3.26Å; R675-R678 PolarHBondContact O-N 3.33Å; R675-R678 VanDerWaalsContact O-N 3.09Å
676	T	91.7	Very high	89.4	Confident	7 Å²	7	71.9 Å²	71.9	4%	0.043	38%	0.375	C	S	.	.	H	α-helix	trans	-62.4	-38	-179.9	-62	0	0	0	0	111.6	F672 V673 R678 L679 P684 V687 L688	F672-T676 WeakPolarHBondContact O-CB 3.16Å; F672-T676 PolarHBondContact O-N 3.16Å; F672-T676 PolarHBondContact O-OG1 3.18Å; V673-T676 PolarHBondContact O-N 3.04Å; T676-R678 PolarHBondContact O-N 3.05Å; T676-L679 HydrophobicContact CG2-CD1 4.35Å; T676-L679 VanDerWaalsContact O-CB 3.31Å; T676-L679 WeakPolarHBondContact O-CB 3.49Å; T676-L679 WeakPolarHBondContact O-CG 3.33Å; T676-L679 PolarHBondContact O-N 3.18Å; T676-L679 VanDerWaalsContact O-N 3.14Å; T676-P684 HydrophobicContact CG2-CB 4.44Å; T676-P684 WeakPolarHBondContact O-CG 3.47Å; T676-V687 HydrophobicContact CG2-CB 3.77Å; T676-V687 HydrophobicContact CG2-CG1 3.69Å; T676-V687 HydrophobicContact CG2-CG2 4.43Å; T676-L688 HydrophobicContact CG2-CD2 4.4Å; T676-L688 HydrophobicContact CG2-CG 4.35Å
677	L	89.7	Confident	89.3	Confident	59 Å²	59	72 Å²	72	31%	0.309	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-14.4	176.2	-66.6	170.5	0	0	0	114.4	V673 R675 P684 L688 L826 K830	V673-L677 HydrophobicContact CG1-CD1 4.06Å; V673-L677 HydrophobicContact CG1-CG 4.46Å; V673-L677 WeakPolarHBondContact O-CG 3.42Å; V673-L677 PolarHBondContact O-N 3.27Å; R675-L677 VanDerWaalsContact C-N 3.31Å; R675-L677 PolarHBondContact O-N 3.12Å; L677-P684 HydrophobicContact CD2-CB 4.4Å; L677-L688 HydrophobicContact CD2-CD1 4.49Å; L677-L826 HydrophobicContact CD2-CD1 4.28Å; L677-L826 HydrophobicContact CD2-CD2 3.49Å; L677-L826 VanDerWaalsContact CD2-CD2 3.49Å; L677-L826 HydrophobicContact CD2-CG 3.9Å; L677-K830 HydrophobicContact CD1-CD 4.31Å; L677-K830 VanDerWaalsContact CD1-CE 3.42Å
678	R	88.9	Confident	89.2	Confident	189 Å²	189	70.4 Å²	70.4	71%	0.713	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-3.4	175.3	-64.8	170.9	-177.6	-161.8	1.1	112.8	E674 R675 T676	E674-R678 WeakPolarHBondContact O-CG 3.39Å; E674-R678 IonicContact OE1-CZ 2.94Å; E674-R678 IonicContact OE1-NE 3.27Å; E674-R678 IonicContact OE1-NH2 3.15Å; E674-R678 PolarHBondContact OE1-NH2 3.19Å; R675-R678 WeakPolarHBondContact O-CB 3.26Å; R675-R678 PolarHBondContact O-N 3.33Å; R675-R678 VanDerWaalsContact O-N 3.09Å; T676-R678 PolarHBondContact O-N 3.05Å
679	L	86.5	Confident	89.1	Confident	73 Å²	73	67 Å²	67	38%	0.382	35%	0.346	S	S	.	.	S	Bend	trans	-70.3	154.4	172.8	-60.1	176	0	0	0	110.3	T676 Q683 P684	T676-L679 HydrophobicContact CG2-CD1 4.35Å; T676-L679 VanDerWaalsContact O-CB 3.31Å; T676-L679 WeakPolarHBondContact O-CB 3.49Å; T676-L679 WeakPolarHBondContact O-CG 3.33Å; T676-L679 PolarHBondContact O-N 3.18Å; T676-L679 VanDerWaalsContact O-N 3.14Å; L679-Q683 HydrophobicContact CB-CB 4.1Å; L679-Q683 HydrophobicContact CD1-CB 4.39Å; L679-P684 HydrophobicContact CB-CG 4.28Å
680	A	82	Confident	89.1	Confident	78 Å²	78	66.2 Å²	66.2	65%	0.645	35%	0.345	S	S	*	.			trans	-85.3	150.2	-176	0	0	0	0	0	112.4	Q683	A680-Q683 WeakPolarHBondContact O-CG 3.22Å
681	G	77.7	Confident	89.2	Confident	37 Å²	37	60 Å²	60	38%	0.381	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.7	-140.8	171.4	0	0	0	0	0	114.1	Q683 P684 V821	G681-Q683 VanDerWaalsContact C-N 3.31Å; G681-Q683 PolarHBondContact O-N 2.92Å; G681-P684 VanDerWaalsContact O-CD 3.23Å; G681-P684 WeakPolarHBondContact O-CD 3.39Å; G681-V821 VanDerWaalsContact O-CG2 3.24Å; G681-V821 WeakPolarHBondContact O-CG2 3.47Å
682	T	80.9	Confident	89.3	Confident	53 Å²	53	54.8 Å²	54.8	33%	0.325	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-6.7	-178.2	51.3	0	0	0	0	114.3	P684 L685 E686 A819	T682-P684 VanDerWaalsContact C-N 3.34Å; T682-L685 WeakPolarHBondContact O-CB 3.31Å; T682-L685 PolarHBondContact O-N 2.97Å; T682-E686 PolarHBondContact O-N 3.14Å; T682-E686 VanDerWaalsContact O-N 3.13Å; T682-E686 PolarHBondContact OG1-OE1 3.48Å; T682-A819 HydrophobicContact CG2-CB 3.7Å
683	Q	85	Confident	89.3	Confident	98 Å²	98	59.5 Å²	59.5	46%	0.458	30%	0.3	S	S	.	.	H	α-helix	trans	-53	-41.7	-177.4	-64.1	-174.4	-6.9	0	0	113.9	L679 A680 G681 L685 E686 V687	L679-Q683 HydrophobicContact CB-CB 4.1Å; L679-Q683 HydrophobicContact CD1-CB 4.39Å; A680-Q683 WeakPolarHBondContact O-CG 3.22Å; G681-Q683 VanDerWaalsContact C-N 3.31Å; G681-Q683 PolarHBondContact O-N 2.92Å; Q683-L685 VanDerWaalsContact C-N 3.27Å; Q683-L685 PolarHBondContact O-N 3.46Å; Q683-E686 PolarHBondContact O-N 3.19Å; Q683-V687 VanDerWaalsContact O-CG2 3.31Å; Q683-V687 WeakPolarHBondContact O-CG2 3.25Å; Q683-V687 PolarHBondContact O-N 3.32Å
684	P	89.4	Confident	89.4	Confident	5 Å²	5	58 Å²	58	3%	0.032	29%	0.291	C	S	.	.	H	α-helix	trans	-59.9	-39	178.3	-21	31.8	0	0	0	112.7	T676 L677 L679 G681 T682 L688 L826	T676-P684 HydrophobicContact CG2-CB 4.44Å; T676-P684 WeakPolarHBondContact O-CG 3.47Å; L677-P684 HydrophobicContact CD2-CB 4.4Å; L679-P684 HydrophobicContact CB-CG 4.28Å; G681-P684 VanDerWaalsContact O-CD 3.23Å; G681-P684 WeakPolarHBondContact O-CD 3.39Å; T682-P684 VanDerWaalsContact C-N 3.34Å; P684-L688 WeakPolarHBondContact O-CB 3.4Å; P684-L688 WeakPolarHBondContact O-CG 3.41Å; P684-L688 PolarHBondContact O-N 3.16Å; P684-L688 VanDerWaalsContact O-N 3.11Å; P684-L826 HydrophobicContact CB-CD1 4.17Å; P684-L826 HydrophobicContact CB-CD2 4.21Å
685	L	88.7	Confident	89.4	Confident	35 Å²	35	53.8 Å²	53.8	18%	0.183	27%	0.271	C	S	.	.	H	α-helix	trans	-68.6	-47.5	179.8	-171.8	71.7	0	0	0	110.7	T682 Q683 V687 L688 E689 R825 L826 L829	T682-L685 WeakPolarHBondContact O-CB 3.31Å; T682-L685 PolarHBondContact O-N 2.97Å; Q683-L685 VanDerWaalsContact C-N 3.27Å; Q683-L685 PolarHBondContact O-N 3.46Å; L685-V687 PolarHBondContact O-N 3.29Å; L685-L688 PolarHBondContact O-N 2.64Å; L685-E689 HydrophobicContact CG-CG 4.5Å; L685-E689 WeakPolarHBondContact O-CB 3.39Å; L685-E689 WeakPolarHBondContact O-CG 3.27Å; L685-E689 PolarHBondContact O-N 2.84Å; L685-R825 HydrophobicContact CD1-CB 4.22Å; L685-R825 HydrophobicContact CD1-CG 3.88Å; L685-L826 HydrophobicContact CB-CD1 4.36Å; L685-L826 HydrophobicContact CD1-CD1 4.15Å; L685-L829 HydrophobicContact CD1-CD1 3.52Å
686	E	88.5	Confident	89.3	Confident	114 Å²	114	50.6 Å²	50.6	53%	0.533	27%	0.268	S	S	.	.	H	α-helix	trans	-58.4	-45.4	179	-69.8	168.6	-158	0	0	111.9	T682 Q683 A690	T682-E686 PolarHBondContact O-N 3.14Å; T682-E686 VanDerWaalsContact O-N 3.13Å; T682-E686 PolarHBondContact OG1-OE1 3.48Å; Q683-E686 PolarHBondContact O-N 3.19Å; E686-A690 WeakPolarHBondContact O-CB 3.5Å; E686-A690 PolarHBondContact O-N 2.93Å
687	V	92.1	Very high	89.3	Confident	25 Å²	25	55.7 Å²	55.7	15%	0.152	30%	0.295	C	S	.	.	H	α-helix	trans	-66.1	-48	179.5	174.1	0	0	0	0	111.3	F672 T676 Q683 L685 A690 V691	F672-V687 HydrophobicContact CE1-CG1 4.18Å; F672-V687 HydrophobicContact CZ-CG1 3.7Å; T676-V687 HydrophobicContact CG2-CB 3.77Å; T676-V687 HydrophobicContact CG2-CG1 3.69Å; T676-V687 HydrophobicContact CG2-CG2 4.43Å; Q683-V687 VanDerWaalsContact O-CG2 3.31Å; Q683-V687 WeakPolarHBondContact O-CG2 3.25Å; Q683-V687 PolarHBondContact O-N 3.32Å; L685-V687 PolarHBondContact O-N 3.29Å; V687-A690 PolarHBondContact O-N 2.89Å; V687-V691 WeakPolarHBondContact O-CG2 3.36Å; V687-V691 PolarHBondContact O-N 3.19Å; V687-V691 VanDerWaalsContact O-N 3.07Å
688	L	92.5	Very high	89.4	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-70.1	-34.7	-178.2	-67.9	-172.8	0	0	0	112.7	T676 L677 P684 L685 V691 Q692 L826 L829 K830 L833	T676-L688 HydrophobicContact CG2-CD2 4.4Å; T676-L688 HydrophobicContact CG2-CG 4.35Å; L677-L688 HydrophobicContact CD2-CD1 4.49Å; P684-L688 WeakPolarHBondContact O-CB 3.4Å; P684-L688 WeakPolarHBondContact O-CG 3.41Å; P684-L688 PolarHBondContact O-N 3.16Å; P684-L688 VanDerWaalsContact O-N 3.11Å; L685-L688 PolarHBondContact O-N 2.64Å; L688-V691 PolarHBondContact O-N 2.7Å; L688-Q692 PolarHBondContact O-N 2.69Å; L688-L826 HydrophobicContact CD1-CD1 3.79Å; L688-L829 HydrophobicContact CB-CB 4.49Å; L688-L829 HydrophobicContact CB-CD1 4.4Å; L688-K830 HydrophobicContact CD1-CG 4.26Å; L688-L833 HydrophobicContact CD2-CD1 3.95Å
689	E	91.5	Very high	89.7	Confident	42 Å²	42	52.6 Å²	52.6	20%	0.196	28%	0.283	C	S	.	.	H	α-helix	trans	-64.3	-41	171.6	-76.2	-162.2	164.7	0	0	112	L685 V691 Q692 R693 L829	L685-E689 HydrophobicContact CG-CG 4.5Å; L685-E689 WeakPolarHBondContact O-CB 3.39Å; L685-E689 WeakPolarHBondContact O-CG 3.27Å; L685-E689 PolarHBondContact O-N 2.84Å; E689-V691 VanDerWaalsContact C-N 3.34Å; E689-V691 PolarHBondContact O-N 3.27Å; E689-Q692 PolarHBondContact O-N 2.84Å; E689-R693 WeakPolarHBondContact O-CB 3.34Å; E689-R693 WeakPolarHBondContact O-CG 3.48Å; E689-R693 PolarHBondContact O-N 2.92Å; E689-R693 IonicContact OE2-CZ 3.37Å; E689-R693 IonicContact OE2-NH1 3.08Å; E689-R693 PolarHBondContact OE2-NH1 3.24Å; E689-R693 IonicContact OE2-NH2 3.66Å; E689-R693 PolarHBondContact OE2-NH2 3.26Å; E689-L829 HydrophobicContact CG-CD1 3.57Å; E689-L829 HydrophobicContact CG-CD2 4.23Å
690	A	92.4	Very high	90.2	Very high	20 Å²	20	49.5 Å²	49.5	17%	0.165	27%	0.267	C	S	.	.	H	α-helix	trans	-59.7	-45.1	175.5	0	0	0	0	0	111.2	E686 V687 Q692 R693 S694	E686-A690 WeakPolarHBondContact O-CB 3.5Å; E686-A690 PolarHBondContact O-N 2.93Å; V687-A690 PolarHBondContact O-N 2.89Å; A690-Q692 PolarHBondContact O-N 2.84Å; A690-R693 PolarHBondContact O-N 2.86Å; A690-S694 WeakPolarHBondContact O-CB 3.48Å; A690-S694 PolarHBondContact O-N 3.35Å; A690-S694 PolarHBondContact O-OG 3.41Å
691	V	94.6	Very high	90.9	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-61.8	-43.4	176	177.4	0	0	0	0	111.4	N662 V663 Y666 F672 V687 L688 E689 S694 L695 L833	N662-V691 HydrophobicContact CB-CG2 3.94Å; V663-V691 HydrophobicContact CG2-CG1 4.44Å; Y666-V691 HydrophobicContact CD1-CG1 3.96Å; Y666-V691 HydrophobicContact CE1-CG1 4.47Å; Y666-V691 HydrophobicContact CG-CG1 3.99Å; F672-V691 HydrophobicContact CE1-CG2 4.33Å; V687-V691 WeakPolarHBondContact O-CG2 3.36Å; V687-V691 PolarHBondContact O-N 3.19Å; V687-V691 VanDerWaalsContact O-N 3.07Å; L688-V691 PolarHBondContact O-N 2.7Å; E689-V691 VanDerWaalsContact C-N 3.34Å; E689-V691 PolarHBondContact O-N 3.27Å; V691-S694 PolarHBondContact O-N 3.26Å; V691-L695 HydrophobicContact CG1-CD1 3.67Å; V691-L695 HydrophobicContact CG1-CG 4.19Å; V691-L695 WeakPolarHBondContact O-CB 3.41Å; V691-L695 WeakPolarHBondContact O-CG 3.35Å; V691-L695 PolarHBondContact O-N 2.74Å; V691-L833 HydrophobicContact CB-CD2 4.27Å; V691-L833 HydrophobicContact CG1-CD2 3.82Å
692	Q	94.8	Very high	91.8	Very high	26 Å²	26	54.8 Å²	54.8	12%	0.121	27%	0.273	C	S	.	.	H	α-helix	trans	-63.4	-44.2	177.8	-171.2	-167.8	47.4	0	0	111.7	L688 E689 A690 V696 L697 L829 T832 L833	L688-Q692 PolarHBondContact O-N 2.69Å; E689-Q692 PolarHBondContact O-N 2.84Å; A690-Q692 PolarHBondContact O-N 2.84Å; Q692-V696 PolarHBondContact O-N 2.73Å; Q692-L697 PolarHBondContact O-N 2.94Å; Q692-L829 HydrophobicContact CB-CD2 4.34Å; Q692-L829 HydrophobicContact CG-CD2 4.47Å; Q692-T832 PolarHBondContact NE2-OG1 3.35Å; Q692-L833 HydrophobicContact CB-CD2 3.78Å; Q692-L833 HydrophobicContact CG-CD2 4.38Å
693	R	93.1	Very high	92.6	Very high	103 Å²	103	54.9 Å²	54.9	39%	0.389	27%	0.267	S	S	.	.	I	π-helix	trans	-58.7	-49	177	-75.2	-175.9	-171.4	103.7	9.4	110.6	E689 A690 L697 Q698	E689-R693 WeakPolarHBondContact O-CB 3.34Å; E689-R693 WeakPolarHBondContact O-CG 3.48Å; E689-R693 PolarHBondContact O-N 2.92Å; E689-R693 IonicContact OE2-CZ 3.37Å; E689-R693 IonicContact OE2-NH1 3.08Å; E689-R693 PolarHBondContact OE2-NH1 3.24Å; E689-R693 IonicContact OE2-NH2 3.66Å; E689-R693 PolarHBondContact OE2-NH2 3.26Å; A690-R693 PolarHBondContact O-N 2.86Å; R693-L697 HydrophobicContact CG-CD1 4.25Å; R693-L697 PolarHBondContact O-N 3Å; R693-Q698 PolarHBondContact O-N 2.79Å
694	S	94.1	Very high	93.2	Very high	12 Å²	12	51.8 Å²	51.8	8%	0.084	26%	0.259	C	S	.	.	I	π-helix	trans	-70.8	-35.5	-176.9	-61	0	0	0	0	114	A690 V691 Y776	A690-S694 WeakPolarHBondContact O-CB 3.48Å; A690-S694 PolarHBondContact O-N 3.35Å; A690-S694 PolarHBondContact O-OG 3.41Å; V691-S694 PolarHBondContact O-N 3.26Å; S694-Y776 VanDerWaalsContact CA-OH 3.23Å; S694-Y776 WeakPolarHBondContact CA-OH 3.47Å; S694-Y776 WeakPolarHBondContact CB-OH 3.48Å; S694-Y776 WeakPolarHBondContact O-CE1 3.47Å; S694-Y776 PolarHBondContact O-OH 2.8Å; S694-Y776 VanDerWaalsContact O-OH 3.05Å
695	L	93	Very high	93.5	Very high	7 Å²	7	54.6 Å²	54.6	4%	0.037	27%	0.273	C	S	.	.	I	π-helix	trans	-82.7	-30.9	-178.2	-71.1	-176.4	0	0	0	114	V663 Y666 V691 P834 L839 F842	V663-L695 HydrophobicContact CG1-CD2 3.61Å; V663-L695 HydrophobicContact CG1-CG 4.29Å; V663-L695 HydrophobicContact CG2-CD2 4.35Å; V663-L695 HydrophobicContact CG2-CG 4.27Å; Y666-L695 HydrophobicContact CD1-CD1 3.75Å; Y666-L695 HydrophobicContact CE1-CD1 3.68Å; V691-L695 HydrophobicContact CG1-CD1 3.67Å; V691-L695 HydrophobicContact CG1-CG 4.19Å; V691-L695 WeakPolarHBondContact O-CB 3.41Å; V691-L695 WeakPolarHBondContact O-CG 3.35Å; V691-L695 PolarHBondContact O-N 2.74Å; L695-P834 HydrophobicContact CB-CG 3.97Å; L695-P834 HydrophobicContact CD1-CG 3.89Å; L695-L839 HydrophobicContact CD1-CD1 4.06Å; L695-L839 HydrophobicContact CD2-CD1 3.88Å; L695-L839 HydrophobicContact CG-CD1 4.41Å; L695-F842 HydrophobicContact CD2-CD1 3.96Å; L695-F842 HydrophobicContact CD2-CE1 3.56Å
696	V	89	Confident	94	Very high	80 Å²	80	52.9 Å²	52.9	49%	0.485	27%	0.265	S	S	.	.	I	π-helix	trans	-127.3	-60.4	-168.1	-173.5	0	0	0	0	112.4	Q692 P834	Q692-V696 PolarHBondContact O-N 2.73Å; V696-P834 HydrophobicContact CG2-CG 3.9Å
697	L	90.4	Very high	94.4	Very high	114 Å²	114	47.5 Å²	47.5	60%	0.597	24%	0.24	S	C	*	.	I	π-helix	trans	-75.9	-36.5	-164	-59.6	174.3	0	0	0	113.8	Q692 R693	Q692-L697 PolarHBondContact O-N 2.94Å; R693-L697 HydrophobicContact CG-CD1 4.25Å; R693-L697 PolarHBondContact O-N 3Å
698	Q	92.8	Very high	94.7	Very high	88 Å²	88	48 Å²	48	41%	0.411	24%	0.243	S	C	.	.	S	Bend	trans	-122.3	21.8	-173.9	-62.9	-171.7	-7.8	0	0	111.9	R693 P700 F772	R693-Q698 PolarHBondContact O-N 2.79Å; Q698-P700 VanDerWaalsContact O-CD 3.22Å; Q698-P700 WeakPolarHBondContact O-CD 3.46Å; Q698-F772 VanDerWaalsContact O-CZ 3.28Å; Q698-F772 WeakPolarHBondContact O-CZ 3.23Å
699	R	95.4	Very high	95	Very high	95 Å²	95	49 Å²	49	36%	0.358	25%	0.246	S	C	.	.			trans	-70.7	113.8	178.2	178.8	176.1	175	162.6	0.4	110.2	Y776	R699-Y776 HydrophobicContact CG-CD1 4.47Å; R699-Y776 HydrophobicContact CG-CE1 4.19Å
700	P	96.9	Very high	95.3	Very high	8 Å²	8	47 Å²	47	5%	0.052	24%	0.237	C	C	.	.			trans	-75.1	151	176.5	33.7	-34.6	0	0	0	110.9	Q698 D705 F772 Y776 L778	Q698-P700 VanDerWaalsContact O-CD 3.22Å; Q698-P700 WeakPolarHBondContact O-CD 3.46Å; P700-D705 HydrophobicContact CB-CB 3.89Å; P700-F772 HydrophobicContact CB-CD1 4.34Å; P700-F772 HydrophobicContact CB-CE1 3.91Å; P700-F772 HydrophobicContact CG-CD1 3.93Å; P700-F772 HydrophobicContact CG-CE1 3.5Å; P700-F772 VanDerWaalsContact CG-CE1 3.5Å; P700-F772 HydrophobicContact CG-CZ 4.34Å; P700-Y776 HydrophobicContact CG-CD1 4.13Å; P700-Y776 HydrophobicContact CG-CD2 3.57Å; P700-Y776 HydrophobicContact CG-CE2 4.02Å; P700-Y776 HydrophobicContact CG-CG 3.62Å; P700-L778 HydrophobicContact CB-CD1 3.86Å; P700-L778 HydrophobicContact CG-CD1 3.88Å
701	Q	95.2	Very high	95.6	Very high	157 Å²	157	46.2 Å²	46.2	73%	0.734	23%	0.23	S	C	*	.	S	Bend	trans	-116.3	-24.5	169	-62.2	-171.3	6	0	0	112	D705	Q701-D705 PolarHBondContact N-OD2 3.16Å
702	T	97.2	Very high	95.7	Very high	69 Å²	69	49.2 Å²	49.2	42%	0.423	24%	0.244	S	C	.	.	S	Bend	trans	-133.1	162.4	-177.1	69.1	0	0	0	0	111.3	A704 D705 C706	T702-A704 PolarHBondContact O-N 3.25Å; T702-D705 PolarHBondContact N-OD2 3.06Å; T702-D705 WeakPolarHBondContact O-CB 3.4Å; T702-D705 PolarHBondContact O-N 2.97Å; T702-D705 VanDerWaalsContact O-N 3.12Å; T702-D705 PolarHBondContact OG1-N 2.85Å; T702-D705 PolarHBondContact OG1-OD1 2.85Å; T702-D705 PolarHBondContact OG1-OD2 2.74Å; T702-C706 PolarHBondContact O-N 2.87Å
703	W	97.5	Very high	95.9	Very high	54 Å²	54	49.4 Å²	49.4	21%	0.205	25%	0.245	C	C	.	.	H	α-helix	trans	-55.6	-37.6	171.2	168.4	-114.8	0	0	0	112.7	D705 C706 V707 A769 A773 V787	W703-D705 VanDerWaalsContact C-N 3.27Å; W703-D705 PolarHBondContact O-N 2.85Å; W703-C706 HydrophobicContact CE3-CB 4.17Å; W703-C706 HydrophobicContact CZ3-CB 4.42Å; W703-C706 WeakPolarHBondContact O-CB 3.25Å; W703-C706 PolarHBondContact O-N 3.23Å; W703-C706 VanDerWaalsContact O-N 3.11Å; W703-V707 HydrophobicContact CD2-CG2 4.1Å; W703-V707 HydrophobicContact CH2-CG2 4.27Å; W703-V707 HydrophobicContact CZ2-CG2 3.63Å; W703-V707 PolarHBondContact O-N 2.64Å; W703-A769 HydrophobicContact CH2-CB 3.49Å; W703-A769 VanDerWaalsContact CH2-CB 3.49Å; W703-A769 HydrophobicContact CZ2-CB 4.27Å; W703-A769 VanDerWaalsContact CZ3-C 3.46Å; W703-A769 HydrophobicContact CZ3-CB 3.7Å; W703-A769 WeakPolarHBondContact CZ3-O 3.41Å; W703-A773 HydrophobicContact CE3-CB 4.21Å; W703-A773 HydrophobicContact CZ3-CB 4.22Å; W703-V787 HydrophobicContact CZ2-CG2 3.95Å
704	A	97.2	Very high	96.1	Very high	33 Å²	33	44.5 Å²	44.5	27%	0.273	23%	0.226	S	C	.	.	H	α-helix	trans	-63	-33.5	178.1	0	0	0	0	0	112.5	T702 V707 T708 F790	T702-A704 PolarHBondContact O-N 3.25Å; A704-V707 PolarHBondContact O-N 3.42Å; A704-T708 WeakPolarHBondContact O-CB 3.35Å; A704-T708 PolarHBondContact O-N 2.87Å; A704-T708 PolarHBondContact O-OG1 2.88Å; A704-F790 HydrophobicContact CB-CE1 4.28Å; A704-F790 HydrophobicContact CB-CE2 3.97Å; A704-F790 HydrophobicContact CB-CZ 3.71Å; A704-F790 WeakPolarHBondContact O-CE1 3.43Å
705	D	97.2	Very high	96.3	Very high	64 Å²	64	45.3 Å²	45.3	34%	0.342	23%	0.229	S	C	.	.	H	α-helix	trans	-65.9	-40.2	173.8	-54.8	-36	0	0	0	110.9	P700 Q701 T702 W703 T708 W709	P700-D705 HydrophobicContact CB-CB 3.89Å; Q701-D705 PolarHBondContact N-OD2 3.16Å; T702-D705 PolarHBondContact N-OD2 3.06Å; T702-D705 WeakPolarHBondContact O-CB 3.4Å; T702-D705 PolarHBondContact O-N 2.97Å; T702-D705 VanDerWaalsContact O-N 3.12Å; T702-D705 PolarHBondContact OG1-N 2.85Å; T702-D705 PolarHBondContact OG1-OD1 2.85Å; T702-D705 PolarHBondContact OG1-OD2 2.74Å; W703-D705 VanDerWaalsContact C-N 3.27Å; W703-D705 PolarHBondContact O-N 2.85Å; D705-T708 PolarHBondContact O-N 3.08Å; D705-W709 WeakPolarHBondContact O-CB 3.26Å; D705-W709 PolarHBondContact O-N 3.32Å
706	C	98.1	Very high	96.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-63.5	-41.3	176.1	-57.3	0	0	0	0	112.1	T702 W703 W709 A710 A769 F772	T702-C706 PolarHBondContact O-N 2.87Å; W703-C706 HydrophobicContact CE3-CB 4.17Å; W703-C706 HydrophobicContact CZ3-CB 4.42Å; W703-C706 WeakPolarHBondContact O-CB 3.25Å; W703-C706 PolarHBondContact O-N 3.23Å; W703-C706 VanDerWaalsContact O-N 3.11Å; C706-W709 PolarHBondContact O-N 2.92Å; C706-A710 WeakPolarHBondContact O-CB 3.43Å; C706-A710 PolarHBondContact O-N 3.44Å; C706-A769 HydrophobicContact CB-CB 4.19Å; C706-F772 HydrophobicContact CB-CD1 4.1Å
707	V	98.3	Very high	96.9	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.006	23%	0.225	C	C	.	.	H	α-helix	trans	-65	-41.1	175.5	177.8	0	0	0	0	111.1	W703 A704 A710 C711 V765 A769 V787 F790 L791	W703-V707 HydrophobicContact CD2-CG2 4.1Å; W703-V707 HydrophobicContact CH2-CG2 4.27Å; W703-V707 HydrophobicContact CZ2-CG2 3.63Å; W703-V707 PolarHBondContact O-N 2.64Å; A704-V707 PolarHBondContact O-N 3.42Å; V707-A710 PolarHBondContact O-N 2.94Å; V707-C711 PolarHBondContact O-N 2.9Å; V707-V765 HydrophobicContact CG1-CG1 4.06Å; V707-A769 HydrophobicContact CG2-CB 4.12Å; V707-V787 HydrophobicContact CG1-CG1 3.91Å; V707-V787 HydrophobicContact CG2-CG1 4.42Å; V707-V787 HydrophobicContact CG2-CG2 4.26Å; V707-F790 HydrophobicContact CB-CD1 4.06Å; V707-F790 HydrophobicContact CB-CE1 4.07Å; V707-F790 HydrophobicContact CG1-CD1 3.62Å; V707-F790 HydrophobicContact CG1-CE1 4.01Å; V707-L791 HydrophobicContact CG1-CD2 3.88Å; V707-L791 HydrophobicContact CG1-CG 4.11Å
708	T	97.9	Very high	97.3	Very high	36 Å²	36	39.4 Å²	39.4	22%	0.221	20%	0.197	C	C	.	.	H	α-helix	trans	-62.6	-45.9	176.1	-57.8	0	0	0	0	111.1	A704 D705 A710 C711 H712 F790 V794	A704-T708 WeakPolarHBondContact O-CB 3.35Å; A704-T708 PolarHBondContact O-N 2.87Å; A704-T708 PolarHBondContact O-OG1 2.88Å; D705-T708 PolarHBondContact O-N 3.08Å; T708-A710 PolarHBondContact O-N 3.46Å; T708-C711 PolarHBondContact O-N 3.27Å; T708-H712 PolarHBondContact O-N 2.98Å; T708-F790 WeakPolarHBondContact OG1-CE1 3.4Å; T708-V794 HydrophobicContact CG2-CG1 4.09Å
709	W	98.1	Very high	97.6	Very high	20 Å²	20	36 Å²	36	8%	0.076	18%	0.183	C	C	.	.	H	α-helix	trans	-57.4	-48.1	175.2	174.1	89.2	0	0	0	111.8	L655 F656 D705 C706 C711 H712 H713 A768 F772	L655-W709 HydrophobicContact CD1-CH2 4.39Å; L655-W709 HydrophobicContact CD2-CH2 4.43Å; L655-W709 HydrophobicContact CD2-CZ2 4.13Å; F656-W709 AromaticContact CE1-CH2 3.83Å; F656-W709 HydrophobicContact CE1-CH2 3.83Å; F656-W709 HydrophobicContact CE1-CZ3 4.1Å; F656-W709 HydrophobicContact CZ-CH2 4.25Å; F656-W709 HydrophobicContact CZ-CZ3 4.49Å; D705-W709 WeakPolarHBondContact O-CB 3.26Å; D705-W709 PolarHBondContact O-N 3.32Å; C706-W709 PolarHBondContact O-N 2.92Å; W709-C711 VanDerWaalsContact C-N 3.31Å; W709-C711 PolarHBondContact O-N 2.71Å; W709-H712 PolarHBondContact O-N 3.44Å; W709-H713 WeakPolarHBondContact O-CB 3.49Å; W709-H713 PolarHBondContact O-N 2.97Å; W709-A768 HydrophobicContact CZ3-CB 4.16Å; W709-F772 HydrophobicContact CB-CD1 4.33Å; W709-F772 HydrophobicContact CB-CE1 4.09Å; W709-F772 AromaticContact CD1-CZ 3.69Å; W709-F772 HydrophobicContact CD2-CD1 4.01Å; W709-F772 AromaticContact CD2-CD2 3.77Å; W709-F772 HydrophobicContact CD2-CD2 3.77Å; W709-F772 HydrophobicContact CD2-CE1 4.05Å; W709-F772 AromaticContact CD2-CE2 3.83Å; W709-F772 HydrophobicContact CD2-CE2 3.83Å; W709-F772 AromaticContact CD2-CG 3.86Å; W709-F772 HydrophobicContact CD2-CG 3.86Å; W709-F772 AromaticContact CD2-CZ 3.96Å; W709-F772 HydrophobicContact CD2-CZ 3.96Å; W709-F772 AromaticContact CE2-CD2 3.71Å; W709-F772 AromaticContact CE2-CE2 3.52Å; W709-F772 AromaticContact CE2-CZ 3.94Å; W709-F772 HydrophobicContact CE3-CB 3.82Å; W709-F772 HydrophobicContact CE3-CD1 4.07Å; W709-F772 AromaticContact CE3-CD2 3.83Å; W709-F772 HydrophobicContact CE3-CD2 3.83Å; W709-F772 HydrophobicContact CE3-CE2 4.37Å; W709-F772 AromaticContact CE3-CG 3.65Å; W709-F772 HydrophobicContact CE3-CG 3.65Å; W709-F772 HydrophobicContact CG-CD1 4.1Å; W709-F772 HydrophobicContact CG-CD2 4.48Å; W709-F772 AromaticContact CG-CE1 3.79Å; W709-F772 HydrophobicContact CG-CE1 3.79Å; W709-F772 HydrophobicContact CG-CE2 4.21Å; W709-F772 HydrophobicContact CG-CG 4.43Å; W709-F772 AromaticContact CG-CZ 3.84Å; W709-F772 HydrophobicContact CG-CZ 3.84Å; W709-F772 AromaticContact CH2-CD2 3.86Å; W709-F772 HydrophobicContact CH2-CD2 3.86Å; W709-F772 HydrophobicContact CH2-CE2 4.4Å; W709-F772 HydrophobicContact CH2-CG 4.41Å; W709-F772 AromaticContact CZ2-CD2 3.77Å; W709-F772 HydrophobicContact CZ2-CD2 3.77Å; W709-F772 AromaticContact CZ2-CE2 3.84Å; W709-F772 HydrophobicContact CZ2-CE2 3.84Å; W709-F772 HydrophobicContact CZ3-CB 3.83Å; W709-F772 AromaticContact CZ3-CD2 3.88Å; W709-F772 HydrophobicContact CZ3-CD2 3.88Å; W709-F772 AromaticContact CZ3-CG 3.96Å; W709-F772 HydrophobicContact CZ3-CG 3.96Å; W709-F772 AromaticContact NE1-CE2 3.66Å; W709-F772 AromaticContact NE1-CZ 3.73Å
710	A	98.3	Very high	97.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-61.3	-40	179.3	0	0	0	0	0	111.9	C706 V707 T708 W714 V765 A768 A769	C706-A710 WeakPolarHBondContact O-CB 3.43Å; C706-A710 PolarHBondContact O-N 3.44Å; V707-A710 PolarHBondContact O-N 2.94Å; T708-A710 PolarHBondContact O-N 3.46Å; A710-W714 WeakPolarHBondContact O-CB 3.3Å; A710-W714 PolarHBondContact O-N 3.3Å; A710-V765 HydrophobicContact CB-CG1 4.12Å; A710-A768 HydrophobicContact CB-CB 3.9Å; A710-A769 HydrophobicContact CB-CB 4.09Å
711	C	97.9	Very high	97.6	Very high	3 Å²	3	35.6 Å²	35.6	2%	0.02	19%	0.187	C	C	.	.	H	α-helix	trans	-64.8	-45.8	174.7	-174.9	0	0	0	0	112.3	V707 T708 W709 H713 W714 H715 L791 V794	V707-C711 PolarHBondContact O-N 2.9Å; T708-C711 PolarHBondContact O-N 3.27Å; W709-C711 VanDerWaalsContact C-N 3.31Å; W709-C711 PolarHBondContact O-N 2.71Å; C711-H713 VanDerWaalsContact C-N 3.34Å; C711-H713 PolarHBondContact O-N 3.16Å; C711-W714 WeakPolarHBondContact O-CB 3.48Å; C711-W714 PolarHBondContact O-N 3.45Å; C711-H715 PolarHBondContact O-N 2.89Å; C711-H715 VanDerWaalsContact O-N 3.12Å; C711-H715 PolarHBondContact O-ND1 3.1Å; C711-L791 HydrophobicContact CB-CD2 3.67Å; C711-V794 HydrophobicContact CB-CG1 4.29Å
712	H	97.8	Very high	97.7	Very high	64 Å²	64	28.2 Å²	28.2	30%	0.296	15%	0.153	S	C	.	.	H	α-helix	trans	-63.9	-39.6	176.7	-72.4	167.5	0	0	0	112.5	T708 W709 H715 T716 Q795	T708-H712 PolarHBondContact O-N 2.98Å; W709-H712 PolarHBondContact O-N 3.44Å; H712-H715 PolarHBondContact O-N 3.09Å; H712-T716 WeakPolarHBondContact O-CB 3.47Å; H712-T716 PolarHBondContact O-N 3.42Å; H712-T716 PolarHBondContact O-OG1 2.87Å; H712-Q795 PolarHBondContact NE2-O 3.41Å
713	H	97.8	Very high	97.7	Very high	29 Å²	29	30.7 Å²	30.7	13%	0.134	15%	0.154	C	C	.	.	H	α-helix	trans	-65.4	-42.1	176.3	-168.6	-88.8	0	0	0	111.4	E651 W709 C711 H715 T716 Q717 Y764	E651-H713 IonicContact OE2-CE1 3.89Å; E651-H713 PolarHBondContact OE2-CE1 2.82Å; E651-H713 IonicContact OE2-NE2 2.84Å; W709-H713 WeakPolarHBondContact O-CB 3.49Å; W709-H713 PolarHBondContact O-N 2.97Å; C711-H713 VanDerWaalsContact C-N 3.34Å; C711-H713 PolarHBondContact O-N 3.16Å; H713-H715 PolarHBondContact O-N 3.39Å; H713-T716 WeakPolarHBondContact O-CB 3.34Å; H713-T716 PolarHBondContact O-N 2.87Å; H713-T716 VanDerWaalsContact O-N 3.16Å; H713-Q717 WeakPolarHBondContact O-CB 3.33Å; H713-Q717 PolarHBondContact O-N 3.35Å; H713-Y764 PolarHBondContact ND1-OH 3.1Å
714	W	98.6	Very high	97.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-54.6	-49.7	173.4	-173.1	99.1	0	0	0	111.7	A710 C711 T716 Q717 Y718 L752 T753 F754 H761 Y764 L868	A710-W714 WeakPolarHBondContact O-CB 3.3Å; A710-W714 PolarHBondContact O-N 3.3Å; C711-W714 WeakPolarHBondContact O-CB 3.48Å; C711-W714 PolarHBondContact O-N 3.45Å; W714-T716 VanDerWaalsContact C-N 3.31Å; W714-T716 PolarHBondContact O-N 3.23Å; W714-Q717 PolarHBondContact O-N 3.32Å; W714-Y718 HydrophobicContact CB-CD2 4.34Å; W714-Y718 AromaticContact CD1-CD2 3.52Å; W714-Y718 AromaticContact CD1-CE2 3.74Å; W714-Y718 AromaticContact CD2-CD2 3.99Å; W714-Y718 HydrophobicContact CD2-CD2 3.99Å; W714-Y718 AromaticContact CE2-CD2 3.95Å; W714-Y718 AromaticContact CG-CD2 3.73Å; W714-Y718 HydrophobicContact CG-CD2 3.73Å; W714-Y718 HydrophobicContact CG-CE2 4.21Å; W714-Y718 AromaticContact NE1-CD2 3.66Å; W714-Y718 VanDerWaalsContact O-CD2 3.27Å; W714-Y718 WeakPolarHBondContact O-CD2 3.5Å; W714-Y718 PolarHBondContact O-N 2.93Å; W714-L752 HydrophobicContact CH2-CB 3.62Å; W714-L752 HydrophobicContact CZ2-CB 3.98Å; W714-L752 HydrophobicContact CZ2-CD1 4.49Å; W714-T753 VanDerWaalsContact CH2-C 3.42Å; W714-F754 AromaticContact CD2-CD2 3.57Å; W714-F754 HydrophobicContact CD2-CD2 3.57Å; W714-F754 HydrophobicContact CD2-CE2 4.31Å; W714-F754 AromaticContact CE2-CD2 3.81Å; W714-F754 HydrophobicContact CE3-CB 3.82Å; W714-F754 AromaticContact CE3-CD2 3.7Å; W714-F754 HydrophobicContact CE3-CD2 3.7Å; W714-F754 HydrophobicContact CE3-CG 4.23Å; W714-F754 HydrophobicContact CG-CD2 4.01Å; W714-F754 HydrophobicContact CG-CE2 4.31Å; W714-F754 HydrophobicContact CH2-CB 3.99Å; W714-F754 HydrophobicContact CH2-CD2 4.38Å; W714-F754 VanDerWaalsContact CH2-N 3.34Å; W714-F754 HydrophobicContact CZ2-CD2 4.22Å; W714-F754 HydrophobicContact CZ3-CB 3.55Å; W714-F754 HydrophobicContact CZ3-CD2 4.14Å; W714-F754 HydrophobicContact CZ3-CG 4.37Å; W714-H761 AromaticContact CZ2-CE1 3.76Å; W714-H761 AromaticContact CZ2-ND1 3.95Å; W714-H761 AromaticContact CZ2-NE2 3.88Å; W714-Y764 HydrophobicContact CB-CD1 4.09Å; W714-Y764 HydrophobicContact CB-CE1 3.82Å; W714-Y764 AromaticContact CD1-CD1 3.51Å; W714-Y764 AromaticContact CD1-CE1 3.95Å; W714-Y764 HydrophobicContact CG-CD1 4.21Å; W714-Y764 HydrophobicContact CG-CE1 4.32Å; W714-L868 HydrophobicContact CZ2-CD2 4.14Å; W714-L868 VanDerWaalsContact NE1-CD1 3.31Å
715	H	98.3	Very high	97.6	Very high	30 Å²	30	27.5 Å²	27.5	14%	0.139	14%	0.136	C	C	.	.	H	α-helix	trans	-63.7	-39	178.8	-73.9	82.4	0	0	0	111.9	C711 H712 H713 Q717 S719 N720 F754 V796	C711-H715 PolarHBondContact O-N 2.89Å; C711-H715 VanDerWaalsContact O-N 3.12Å; C711-H715 PolarHBondContact O-ND1 3.1Å; H712-H715 PolarHBondContact O-N 3.09Å; H713-H715 PolarHBondContact O-N 3.39Å; H715-Q717 VanDerWaalsContact C-N 3.33Å; H715-Q717 PolarHBondContact O-N 3.15Å; H715-S719 CarbonylContact O-C 3.59Å; H715-S719 WeakPolarHBondContact O-CA 3.42Å; H715-S719 VanDerWaalsContact O-CB 3.23Å; H715-S719 WeakPolarHBondContact O-CB 3.32Å; H715-S719 PolarHBondContact O-N 2.8Å; H715-N720 PolarHBondContact O-N 3.14Å; H715-F754 VanDerWaalsContact CE1-CB 3.5Å; H715-F754 WeakPolarHBondContact CE1-CB 3.39Å; H715-F754 AromaticContact CE1-CG 3.9Å; H715-F754 WeakPolarHBondContact NE2-CB 3.43Å; H715-V796 HydrophobicContact CB-CG1 3.93Å; H715-V796 VanDerWaalsContact CE1-CG2 3.5Å; H715-V796 WeakPolarHBondContact CE1-CG2 3.29Å
716	T	96.9	Very high	97.6	Very high	58 Å²	58	26 Å²	26	36%	0.356	13%	0.128	S	C	.	.	I	π-helix	trans	-60.2	-46.6	177	-59.2	0	0	0	0	110.8	H712 H713 W714 N720 N721	H712-T716 WeakPolarHBondContact O-CB 3.47Å; H712-T716 PolarHBondContact O-N 3.42Å; H712-T716 PolarHBondContact O-OG1 2.87Å; H713-T716 WeakPolarHBondContact O-CB 3.34Å; H713-T716 PolarHBondContact O-N 2.87Å; H713-T716 VanDerWaalsContact O-N 3.16Å; W714-T716 VanDerWaalsContact C-N 3.31Å; W714-T716 PolarHBondContact O-N 3.23Å; T716-N720 WeakPolarHBondContact O-CB 3.45Å; T716-N721 WeakPolarHBondContact O-CB 3.25Å; T716-N721 PolarHBondContact O-N 2.82Å; T716-N721 PolarHBondContact O-ND2 3.11Å
717	Q	97.6	Very high	97.4	Very high	19 Å²	19	30.1 Å²	30.1	9%	0.089	15%	0.147	C	C	.	.	I	π-helix	trans	-86	-43.6	-167.1	-158.3	64.3	-67	0	0	113.8	W647 E651 H713 W714 H715 N721	W647-Q717 HydrophobicContact CH2-CG 3.57Å; W647-Q717 HydrophobicContact CZ2-CG 3.42Å; W647-Q717 VanDerWaalsContact CZ2-CG 3.42Å; E651-Q717 PolarHBondContact OE1-NE2 2.78Å; E651-Q717 PolarHBondContact OE2-NE2 2.97Å; H713-Q717 WeakPolarHBondContact O-CB 3.33Å; H713-Q717 PolarHBondContact O-N 3.35Å; W714-Q717 PolarHBondContact O-N 3.32Å; H715-Q717 VanDerWaalsContact C-N 3.33Å; H715-Q717 PolarHBondContact O-N 3.15Å; Q717-N721 PolarHBondContact OE1-ND2 3.41Å
718	Y	98.3	Very high	97.2	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.156	C	C	.	.	I	π-helix	trans	-100.2	-2.9	-173.8	-49.1	-69.3	0	0	0	113.5	W647 W714 L752 Y764 A865 L868 R869 N872	W647-Y718 AromaticContact CH2-CE1 3.79Å; W647-Y718 HydrophobicContact CH2-CE1 3.79Å; W647-Y718 HydrophobicContact CZ3-CE1 4.13Å; W714-Y718 HydrophobicContact CB-CD2 4.34Å; W714-Y718 AromaticContact CD1-CD2 3.52Å; W714-Y718 AromaticContact CD1-CE2 3.74Å; W714-Y718 AromaticContact CD2-CD2 3.99Å; W714-Y718 HydrophobicContact CD2-CD2 3.99Å; W714-Y718 AromaticContact CE2-CD2 3.95Å; W714-Y718 AromaticContact CG-CD2 3.73Å; W714-Y718 HydrophobicContact CG-CD2 3.73Å; W714-Y718 HydrophobicContact CG-CE2 4.21Å; W714-Y718 AromaticContact NE1-CD2 3.66Å; W714-Y718 VanDerWaalsContact O-CD2 3.27Å; W714-Y718 WeakPolarHBondContact O-CD2 3.5Å; W714-Y718 PolarHBondContact O-N 2.93Å; Y718-L752 PolarHBondContact O-N 3.4Å; Y718-Y764 HydrophobicContact CE2-CD2 4.22Å; Y718-Y764 HydrophobicContact CE2-CE1 4.21Å; Y718-Y764 AromaticContact CE2-CE2 3.84Å; Y718-Y764 HydrophobicContact CE2-CE2 3.84Å; Y718-Y764 AromaticContact CE2-CZ 3.82Å; Y718-Y764 AromaticContact CZ-CE2 3.96Å; Y718-Y764 WeakPolarHBondContact OH-CE2 3.23Å; Y718-A865 WeakPolarHBondContact OH-CA 3.21Å; Y718-A865 WeakPolarHBondContact OH-CB 3.45Å; Y718-A865 PolarHBondContact OH-O 3.39Å; Y718-L868 HydrophobicContact CD1-CB 3.71Å; Y718-L868 HydrophobicContact CD2-CB 4.33Å; Y718-L868 HydrophobicContact CD2-CD1 4.03Å; Y718-L868 HydrophobicContact CE1-CB 3.55Å; Y718-L868 HydrophobicContact CE1-CD1 4.45Å; Y718-L868 HydrophobicContact CE2-CB 4.21Å; Y718-L868 HydrophobicContact CE2-CD1 3.63Å; Y718-L868 HydrophobicContact CG-CB 4.1Å; Y718-R869 HydrophobicContact CE1-CB 4.18Å; Y718-N872 WeakPolarHBondContact CD1-OD1 3.33Å; Y718-N872 PolarHBondContact O-ND2 3.07Å
719	S	98.1	Very high	97	Very high	16 Å²	16	31.2 Å²	31.2	11%	0.112	15%	0.15	C	C	.	.	I	π-helix	trans	-127.6	-63.2	177.4	-152	0	0	0	0	112.3	H715 I722 R723 L752	H715-S719 CarbonylContact O-C 3.59Å; H715-S719 WeakPolarHBondContact O-CA 3.42Å; H715-S719 VanDerWaalsContact O-CB 3.23Å; H715-S719 WeakPolarHBondContact O-CB 3.32Å; H715-S719 PolarHBondContact O-N 2.8Å; S719-I722 PolarHBondContact O-N 3.06Å; S719-R723 VanDerWaalsContact O-CG 3.31Å; S719-R723 WeakPolarHBondContact O-CG 3.44Å; S719-R723 PolarHBondContact O-N 3.5Å; S719-L752 WeakPolarHBondContact CB-O 3.42Å; S719-L752 PolarHBondContact OG-O 3.32Å
720	N	97.6	Very high	96.9	Very high	22 Å²	22	32.5 Å²	32.5	12%	0.118	16%	0.161	C	C	.	.	I	π-helix	trans	-64.6	-50.1	-171.9	-62	-14.3	0	0	0	112.3	H715 T716 I722 R723 Q724 F799	H715-N720 PolarHBondContact O-N 3.14Å; T716-N720 WeakPolarHBondContact O-CB 3.45Å; N720-I722 PolarHBondContact O-N 3.03Å; N720-R723 PolarHBondContact O-N 3.16Å; N720-R723 VanDerWaalsContact O-N 3.15Å; N720-Q724 PolarHBondContact O-N 3.1Å; N720-F799 HydrophobicContact CB-CB 4.13Å; N720-F799 HydrophobicContact CB-CD1 3.67Å; N720-F799 HydrophobicContact CB-CD2 3.74Å; N720-F799 HydrophobicContact CB-CE1 3.98Å; N720-F799 HydrophobicContact CB-CE2 4.04Å; N720-F799 HydrophobicContact CB-CG 3.55Å; N720-F799 HydrophobicContact CB-CZ 4.16Å; N720-F799 VanDerWaalsContact CG-CB 3.41Å; N720-F799 VanDerWaalsContact CG-CG 3.42Å; N720-F799 WeakPolarHBondContact O-CE1 3.26Å; N720-F799 WeakPolarHBondContact OD1-CB 3.34Å
721	N	95.9	Very high	96.7	Very high	72 Å²	72	36.4 Å²	36.4	39%	0.385	19%	0.187	S	C	.	.	H	α-helix	trans	-63	-32.8	179.5	-72.9	-11.3	0	0	0	112	T716 Q717 Q724 L725	T716-N721 WeakPolarHBondContact O-CB 3.25Å; T716-N721 PolarHBondContact O-N 2.82Å; T716-N721 PolarHBondContact O-ND2 3.11Å; Q717-N721 PolarHBondContact OE1-ND2 3.41Å; N721-Q724 PolarHBondContact O-N 2.92Å; N721-L725 WeakPolarHBondContact O-CB 3.44Å; N721-L725 PolarHBondContact O-N 3.49Å
722	I	97.6	Very high	96.5	Very high	3 Å²	3	42.5 Å²	42.5	2%	0.015	22%	0.219	C	C	.	.	H	α-helix	trans	-69.9	-42.6	174.5	-56.8	-62.9	0	0	0	111.4	S719 N720 Q724 L725 L726 P749 P751 N872 Y873	S719-I722 PolarHBondContact O-N 3.06Å; N720-I722 PolarHBondContact O-N 3.03Å; I722-Q724 VanDerWaalsContact C-N 3.3Å; I722-Q724 PolarHBondContact O-N 2.96Å; I722-L725 PolarHBondContact O-N 2.99Å; I722-L726 HydrophobicContact CG2-CD1 4.28Å; I722-L726 WeakPolarHBondContact O-CG 3.42Å; I722-L726 PolarHBondContact O-N 3.15Å; I722-P749 HydrophobicContact CD1-CB 4.28Å; I722-P749 HydrophobicContact CG2-CB 3.81Å; I722-P749 HydrophobicContact CG2-CG 4.1Å; I722-P751 HydrophobicContact CB-CB 4.36Å; I722-P751 HydrophobicContact CG2-CB 4.21Å; I722-N872 HydrophobicContact CD1-CB 4.22Å; I722-Y873 HydrophobicContact CD1-CE2 3.92Å
723	R	97.1	Very high	96.3	Very high	120 Å²	120	42.4 Å²	42.4	45%	0.453	22%	0.219	S	C	.	.	H	α-helix	trans	-62	-38.2	173.5	-68.5	170.3	73.3	118.9	-0	111.8	S719 N720 H727 P751 F799 P801	S719-R723 VanDerWaalsContact O-CG 3.31Å; S719-R723 WeakPolarHBondContact O-CG 3.44Å; S719-R723 PolarHBondContact O-N 3.5Å; N720-R723 PolarHBondContact O-N 3.16Å; N720-R723 VanDerWaalsContact O-N 3.15Å; R723-H727 WeakPolarHBondContact O-CB 3.4Å; R723-H727 PolarHBondContact O-N 2.9Å; R723-P751 HydrophobicContact CG-CB 3.8Å; R723-P751 HydrophobicContact CG-CG 4.06Å; R723-F799 HydrophobicContact CB-CD1 4.23Å; R723-F799 HydrophobicContact CB-CE1 4.08Å; R723-P801 HydrophobicContact CB-CG 4.37Å
724	Q	96.6	Very high	96.1	Very high	16 Å²	16	46 Å²	46	8%	0.075	24%	0.239	C	C	.	.	H	α-helix	trans	-64.6	-43	173.8	-173.7	63.7	62.9	0	0	111.3	N720 N721 I722 H727 N728 F799 K802	N720-Q724 PolarHBondContact O-N 3.1Å; N721-Q724 PolarHBondContact O-N 2.92Å; I722-Q724 VanDerWaalsContact C-N 3.3Å; I722-Q724 PolarHBondContact O-N 2.96Å; Q724-H727 WeakPolarHBondContact O-CB 3.16Å; Q724-H727 PolarHBondContact O-N 2.95Å; Q724-N728 PolarHBondContact NE2-OD1 2.85Å; Q724-N728 PolarHBondContact O-N 3.1Å; Q724-N728 PolarHBondContact O-OD1 3.36Å; Q724-F799 HydrophobicContact CB-CE1 4.31Å; Q724-F799 HydrophobicContact CB-CZ 4.06Å; Q724-K802 PolarHBondContact NE2-O 2.93Å
725	L	95.7	Very high	95.6	Very high	5 Å²	5	48.4 Å²	48.4	3%	0.026	25%	0.253	C	S	.	.	H	α-helix	trans	-63	-44.6	178	-177.5	61.6	0	0	0	111.9	N636 F637 N721 I722 H727 N728 F729 W742 P749 I807 Y873	N636-L725 HydrophobicContact CB-CD1 4.38Å; F637-L725 HydrophobicContact CE1-CD1 4.36Å; N721-L725 WeakPolarHBondContact O-CB 3.44Å; N721-L725 PolarHBondContact O-N 3.49Å; I722-L725 PolarHBondContact O-N 2.99Å; L725-H727 VanDerWaalsContact C-N 3.31Å; L725-H727 PolarHBondContact O-N 2.99Å; L725-N728 PolarHBondContact O-N 2.9Å; L725-F729 HydrophobicContact CD1-CD2 3.84Å; L725-F729 HydrophobicContact CD1-CE2 4.24Å; L725-F729 PolarHBondContact O-N 3.35Å; L725-W742 HydrophobicContact CD2-CH2 4.18Å; L725-W742 HydrophobicContact CG-CH2 4.14Å; L725-P749 HydrophobicContact CD2-CG 4Å; L725-I807 HydrophobicContact CD1-CD1 3.77Å; L725-I807 HydrophobicContact CD1-CG2 4.1Å; L725-Y873 HydrophobicContact CD2-CE1 4.47Å; L725-Y873 VanDerWaalsContact CD2-OH 3.29Å; L725-Y873 WeakPolarHBondContact CD2-OH 3.39Å
726	L	96.6	Very high	95.2	Very high	31 Å²	31	53.6 Å²	53.6	16%	0.162	29%	0.293	C	S	.	.	H	α-helix	trans	-69.5	-25.8	175.8	-68.5	176.8	0	0	0	113.4	I722 F729 P730 P731 W742 P749	I722-L726 HydrophobicContact CG2-CD1 4.28Å; I722-L726 WeakPolarHBondContact O-CG 3.42Å; I722-L726 PolarHBondContact O-N 3.15Å; L726-F729 CarbonylContact O-C 3.4Å; L726-F729 VanDerWaalsContact O-C 3.29Å; L726-P730 WeakPolarHBondContact O-CA 3.41Å; L726-P731 HydrophobicContact CD2-CG 4.17Å; L726-W742 HydrophobicContact CD2-CZ2 4.23Å; L726-P749 HydrophobicContact CD2-CG 3.91Å; L726-P749 HydrophobicContact CG-CG 4.22Å
727	H	95.5	Very high	94.8	Very high	88 Å²	88	55.6 Å²	55.6	41%	0.407	31%	0.309	S	S	.	.	H	α-helix	trans	-69.2	-39.5	171.4	-177.6	74.9	0	0	0	111.4	R723 Q724 L725 P801	R723-H727 WeakPolarHBondContact O-CB 3.4Å; R723-H727 PolarHBondContact O-N 2.9Å; Q724-H727 WeakPolarHBondContact O-CB 3.16Å; Q724-H727 PolarHBondContact O-N 2.95Å; L725-H727 VanDerWaalsContact C-N 3.31Å; L725-H727 PolarHBondContact O-N 2.99Å; H727-P801 HydrophobicContact CB-CB 3.66Å; H727-P801 HydrophobicContact CB-CG 4.22Å
728	N	93.3	Very high	94.3	Very high	37 Å²	37	57 Å²	57	20%	0.198	33%	0.328	C	S	.	.	H	α-helix	trans	-73.3	-37.9	177	-77	44.3	0	0	0	112.6	Q724 L725 V805 I807	Q724-N728 PolarHBondContact NE2-OD1 2.85Å; Q724-N728 PolarHBondContact O-N 3.1Å; Q724-N728 PolarHBondContact O-OD1 3.36Å; L725-N728 PolarHBondContact O-N 2.9Å; N728-V805 PolarHBondContact ND2-O 3Å; N728-I807 HydrophobicContact CB-CD1 3.96Å; N728-I807 WeakPolarHBondContact ND2-CD1 3.39Å; N728-I807 WeakPolarHBondContact ND2-CG1 3.15Å
729	F	94.3	Very high	93.7	Very high	22 Å²	22	58.9 Å²	58.9	10%	0.096	34%	0.344	C	S	.	.	S	Bend	trans	-130.7	87.1	179.8	-56	-75.2	0	0	0	110.3	F637 L725 L726 Q733 F741 W742 I807 V809	F637-F729 HydrophobicContact CZ-CE2 4.33Å; L725-F729 HydrophobicContact CD1-CD2 3.84Å; L725-F729 HydrophobicContact CD1-CE2 4.24Å; L725-F729 PolarHBondContact O-N 3.35Å; L726-F729 CarbonylContact O-C 3.4Å; L726-F729 VanDerWaalsContact O-C 3.29Å; F729-Q733 VanDerWaalsContact CA-OE1 3.32Å; F729-F741 HydrophobicContact CB-CD1 3.99Å; F729-F741 HydrophobicContact CB-CE1 3.68Å; F729-F741 HydrophobicContact CB-CZ 4.22Å; F729-F741 HydrophobicContact CD1-CD1 4.34Å; F729-F741 HydrophobicContact CD1-CD2 4.26Å; F729-F741 AromaticContact CD1-CE1 3.83Å; F729-F741 HydrophobicContact CD1-CE1 3.83Å; F729-F741 AromaticContact CD1-CE2 3.73Å; F729-F741 HydrophobicContact CD1-CE2 3.73Å; F729-F741 AromaticContact CD1-CZ 3.49Å; F729-F741 HydrophobicContact CD1-CZ 3.49Å; F729-F741 VanDerWaalsContact CD1-CZ 3.49Å; F729-F741 HydrophobicContact CD2-CE1 4.25Å; F729-F741 HydrophobicContact CD2-CZ 4.13Å; F729-F741 AromaticContact CE1-CE2 3.87Å; F729-F741 HydrophobicContact CE1-CE2 3.87Å; F729-F741 AromaticContact CE1-CZ 3.8Å; F729-F741 HydrophobicContact CE1-CZ 3.8Å; F729-F741 HydrophobicContact CE2-CZ 4.38Å; F729-F741 HydrophobicContact CG-CD1 4.32Å; F729-F741 AromaticContact CG-CE1 3.66Å; F729-F741 HydrophobicContact CG-CE1 3.66Å; F729-F741 HydrophobicContact CG-CE2 4.37Å; F729-F741 AromaticContact CG-CZ 3.68Å; F729-F741 HydrophobicContact CG-CZ 3.68Å; F729-F741 HydrophobicContact CZ-CZ 4.24Å; F729-W742 HydrophobicContact CB-CZ2 3.69Å; F729-W742 WeakPolarHBondContact O-CZ2 3.43Å; F729-W742 PolarHBondContact O-NE1 3.06Å; F729-W742 VanDerWaalsContact O-NE1 3.11Å; F729-I807 HydrophobicContact CE2-CB 3.91Å; F729-I807 HydrophobicContact CE2-CG2 3.89Å; F729-V809 HydrophobicContact CE1-CG2 3.82Å; F729-V809 HydrophobicContact CE2-CG2 4.43Å; F729-V809 HydrophobicContact CZ-CG2 3.48Å; F729-V809 VanDerWaalsContact CZ-CG2 3.48Å
730	P	95.4	Very high	93.3	Very high	47 Å²	47	59.9 Å²	59.9	31%	0.305	35%	0.35	S	S	.	.			trans	-52.1	147.8	177.8	-30.4	37.4	0	0	0	112.9	L726 D732 Q733 W742	L726-P730 WeakPolarHBondContact O-CA 3.41Å; P730-D732 WeakPolarHBondContact CB-OD1 3.48Å; P730-D732 PolarHBondContact O-N 2.89Å; P730-Q733 HydrophobicContact CB-CB 4.48Å; P730-Q733 VanDerWaalsContact CD-OE1 3.26Å; P730-Q733 VanDerWaalsContact O-CB 3.25Å; P730-Q733 WeakPolarHBondContact O-CB 3.46Å; P730-Q733 PolarHBondContact O-N 3.35Å; P730-W742 PolarHBondContact O-NE1 3.32Å; P730-W742 VanDerWaalsContact O-NE1 3.08Å
731	P	94.7	Very high	93	Very high	82 Å²	82	59.5 Å²	59.5	53%	0.532	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-27.4	-178.8	-28.1	34.6	0	0	0	115.1	L726	L726-P731 HydrophobicContact CD2-CG 4.17Å
732	D	93.5	Very high	92.8	Very high	132 Å²	132	57.4 Å²	57.4	71%	0.706	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	7.8	-178.6	61.2	-22.2	0	0	0	113.5	P730 L734	P730-D732 WeakPolarHBondContact CB-OD1 3.48Å; P730-D732 PolarHBondContact O-N 2.89Å; D732-L734 PolarHBondContact O-N 3.49Å
733	Q	93.5	Very high	92.3	Very high	61 Å²	61	59.8 Å²	59.8	29%	0.285	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-60.2	136.8	179.6	179	171.1	-30.6	0	0	111.6	F729 P730 F741	F729-Q733 VanDerWaalsContact CA-OE1 3.32Å; P730-Q733 HydrophobicContact CB-CB 4.48Å; P730-Q733 VanDerWaalsContact CD-OE1 3.26Å; P730-Q733 VanDerWaalsContact O-CB 3.25Å; P730-Q733 WeakPolarHBondContact O-CB 3.46Å; P730-Q733 PolarHBondContact O-N 3.35Å; Q733-F741 HydrophobicContact CB-CB 4.17Å; Q733-F741 HydrophobicContact CG-CB 4.19Å; Q733-F741 VanDerWaalsContact O-CB 3.3Å; Q733-F741 WeakPolarHBondContact O-CB 3.27Å; Q733-F741 PolarHBondContact O-N 3.03Å
734	L	92.3	Very high	91.8	Very high	106 Å²	106	55.7 Å²	55.7	56%	0.555	35%	0.347	S	S	*	.	B	Isolated β-bridge	trans	-98.8	148.7	171.2	-55.3	-177.4	0	0	0	110.9	D732 A739	D732-L734 PolarHBondContact O-N 3.49Å; L734-A739 CarbonylContact C-O 3.59Å; L734-A739 WeakPolarHBondContact CA-O 3.33Å
735	T	89.7	Confident	91.3	Very high	50 Å²	50	57.2 Å²	57.2	31%	0.307	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-76.4	173.3	168.9	61.4	0	0	0	0	110.8	S737 G738 A739 F741	T735-S737 PolarHBondContact O-N 3Å; T735-S737 PolarHBondContact OG1-OG 3.45Å; T735-G738 PolarHBondContact O-N 2.98Å; T735-A739 PolarHBondContact N-O 3.05Å; T735-A739 PolarHBondContact OG1-N 2.87Å; T735-A739 PolarHBondContact OG1-O 3.08Å; T735-F741 HydrophobicContact CG2-CB 4.31Å; T735-F741 HydrophobicContact CG2-CD2 4.42Å
736	S	88.5	Confident	91.1	Very high	139 Å²	139	59.6 Å²	59.6	97%	0.972	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-23.1	175.3	50.6	0	0	0	0	114	G738	S736-G738 VanDerWaalsContact C-N 3.31Å
737	S	88.4	Confident	90.9	Very high	99 Å²	99	60.1 Å²	60.1	69%	0.692	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-1	174.9	63.3	0	0	0	0	113.7	T735 A739	T735-S737 PolarHBondContact O-N 3Å; T735-S737 PolarHBondContact OG1-OG 3.45Å; S737-A739 VanDerWaalsContact C-N 3.26Å; S737-A739 PolarHBondContact O-N 3.37Å
738	G	88	Confident	90.9	Very high	48 Å²	48	58 Å²	58	50%	0.495	36%	0.362	S	S	.	.	S	Bend	trans	80.8	-0.9	-174.3	0	0	0	0	0	114.4	T735 S736	T735-G738 PolarHBondContact O-N 2.98Å; S736-G738 VanDerWaalsContact C-N 3.31Å
739	A	85.6	Confident	91.1	Very high	40 Å²	40	56.4 Å²	56.4	33%	0.331	35%	0.354	S	S	.	.	S	Bend	trans	-75.8	148.3	173.2	0	0	0	0	0	111.2	L734 T735 S737 F741	L734-A739 CarbonylContact C-O 3.59Å; L734-A739 WeakPolarHBondContact CA-O 3.33Å; T735-A739 PolarHBondContact N-O 3.05Å; T735-A739 PolarHBondContact OG1-N 2.87Å; T735-A739 PolarHBondContact OG1-O 3.08Å; S737-A739 VanDerWaalsContact C-N 3.26Å; S737-A739 PolarHBondContact O-N 3.37Å; A739-F741 PolarHBondContact O-N 2.92Å
740	P	90	Very high	91.3	Very high	37 Å²	37	58.4 Å²	58.4	24%	0.24	36%	0.364	C	S	.	.	B	Isolated β-bridge	trans	-57.4	132.6	173.9	-21.2	31.2	0	0	0	112.1	W742 S743	P740-W742 VanDerWaalsContact C-N 3.34Å; P740-W742 PolarHBondContact O-N 2.95Å; P740-S743 WeakPolarHBondContact O-CB 3.49Å; P740-S743 PolarHBondContact O-OG 2.91Å
741	F	91.6	Very high	91.4	Very high	15 Å²	15	58.5 Å²	58.5	7%	0.066	36%	0.364	C	S	.	.	S	Bend	trans	-60.6	-44.4	177.3	176.6	-93.3	0	0	0	111.7	F637 F729 Q733 T735 A739 S743 K746 V809	F637-F741 AromaticContact CE1-CE1 3.93Å; F637-F741 HydrophobicContact CE1-CE1 3.93Å; F637-F741 AromaticContact CE1-CZ 3.85Å; F637-F741 HydrophobicContact CE1-CZ 3.85Å; F637-F741 HydrophobicContact CZ-CE1 4.48Å; F637-F741 AromaticContact CZ-CZ 3.95Å; F637-F741 HydrophobicContact CZ-CZ 3.95Å; F729-F741 HydrophobicContact CB-CD1 3.99Å; F729-F741 HydrophobicContact CB-CE1 3.68Å; F729-F741 HydrophobicContact CB-CZ 4.22Å; F729-F741 HydrophobicContact CD1-CD1 4.34Å; F729-F741 HydrophobicContact CD1-CD2 4.26Å; F729-F741 AromaticContact CD1-CE1 3.83Å; F729-F741 HydrophobicContact CD1-CE1 3.83Å; F729-F741 AromaticContact CD1-CE2 3.73Å; F729-F741 HydrophobicContact CD1-CE2 3.73Å; F729-F741 AromaticContact CD1-CZ 3.49Å; F729-F741 HydrophobicContact CD1-CZ 3.49Å; F729-F741 VanDerWaalsContact CD1-CZ 3.49Å; F729-F741 HydrophobicContact CD2-CE1 4.25Å; F729-F741 HydrophobicContact CD2-CZ 4.13Å; F729-F741 AromaticContact CE1-CE2 3.87Å; F729-F741 HydrophobicContact CE1-CE2 3.87Å; F729-F741 AromaticContact CE1-CZ 3.8Å; F729-F741 HydrophobicContact CE1-CZ 3.8Å; F729-F741 HydrophobicContact CE2-CZ 4.38Å; F729-F741 HydrophobicContact CG-CD1 4.32Å; F729-F741 AromaticContact CG-CE1 3.66Å; F729-F741 HydrophobicContact CG-CE1 3.66Å; F729-F741 HydrophobicContact CG-CE2 4.37Å; F729-F741 AromaticContact CG-CZ 3.68Å; F729-F741 HydrophobicContact CG-CZ 3.68Å; F729-F741 HydrophobicContact CZ-CZ 4.24Å; Q733-F741 HydrophobicContact CB-CB 4.17Å; Q733-F741 HydrophobicContact CG-CB 4.19Å; Q733-F741 VanDerWaalsContact O-CB 3.3Å; Q733-F741 WeakPolarHBondContact O-CB 3.27Å; Q733-F741 PolarHBondContact O-N 3.03Å; T735-F741 HydrophobicContact CG2-CB 4.31Å; T735-F741 HydrophobicContact CG2-CD2 4.42Å; A739-F741 PolarHBondContact O-N 2.92Å; F741-S743 VanDerWaalsContact C-N 3.31Å; F741-S743 PolarHBondContact O-N 2.81Å; F741-S743 VanDerWaalsContact O-N 3.08Å; F741-K746 HydrophobicContact CE1-CD 4.08Å; F741-K746 HydrophobicContact CE2-CD 4.25Å; F741-K746 HydrophobicContact CZ-CD 3.93Å; F741-V809 HydrophobicContact CE2-CG1 3.97Å; F741-V809 HydrophobicContact CE2-CG2 4.31Å; F741-V809 HydrophobicContact CZ-CG1 4.29Å
742	W	91.5	Very high	91.6	Very high	27 Å²	27	55 Å²	55	10%	0.102	34%	0.341	C	S	.	.	S	Bend	trans	-83.7	73.5	175.6	-58.2	108.5	0	0	0	110.8	F637 L725 L726 F729 P730 P740 K746 R747 C748 P749	F637-W742 HydrophobicContact CD1-CH2 4.18Å; F637-W742 AromaticContact CD1-CZ3 3.79Å; F637-W742 HydrophobicContact CD1-CZ3 3.79Å; F637-W742 AromaticContact CE1-CH2 3.93Å; F637-W742 HydrophobicContact CE1-CH2 3.93Å; F637-W742 AromaticContact CE1-CZ3 3.96Å; F637-W742 HydrophobicContact CE1-CZ3 3.96Å; L725-W742 HydrophobicContact CD2-CH2 4.18Å; L725-W742 HydrophobicContact CG-CH2 4.14Å; L726-W742 HydrophobicContact CD2-CZ2 4.23Å; F729-W742 HydrophobicContact CB-CZ2 3.69Å; F729-W742 WeakPolarHBondContact O-CZ2 3.43Å; F729-W742 PolarHBondContact O-NE1 3.06Å; F729-W742 VanDerWaalsContact O-NE1 3.11Å; P730-W742 PolarHBondContact O-NE1 3.32Å; P730-W742 VanDerWaalsContact O-NE1 3.08Å; P740-W742 VanDerWaalsContact C-N 3.34Å; P740-W742 PolarHBondContact O-N 2.95Å; W742-K746 CarbonylContact C-O 3.59Å; W742-K746 WeakPolarHBondContact CA-O 3.41Å; W742-K746 HydrophobicContact CE3-CB 4.05Å; W742-K746 HydrophobicContact CZ3-CB 4.49Å; W742-R747 VanDerWaalsContact CE3-O 3.28Å; W742-R747 VanDerWaalsContact CZ3-O 3.25Å; W742-R747 WeakPolarHBondContact CZ3-O 3.35Å; W742-C748 HydrophobicContact CB-CB 3.85Å; W742-C748 HydrophobicContact CD2-CB 3.97Å; W742-C748 HydrophobicContact CE3-CB 4.3Å; W742-C748 HydrophobicContact CG-CB 3.78Å; W742-P749 VanDerWaalsContact CH2-CD 3.45Å; W742-P749 HydrophobicContact CH2-CG 4.15Å
743	S	87.3	Confident	91.8	Very high	54 Å²	54	54.4 Å²	54.4	38%	0.378	34%	0.342	S	S	.	.			trans	-142.8	158.9	175.9	62.8	0	0	0	0	111.3	P740 F741 P745 K746	P740-S743 WeakPolarHBondContact O-CB 3.49Å; P740-S743 PolarHBondContact O-OG 2.91Å; F741-S743 VanDerWaalsContact C-N 3.31Å; F741-S743 PolarHBondContact O-N 2.81Å; F741-S743 VanDerWaalsContact O-N 3.08Å; S743-P745 VanDerWaalsContact O-CD 3.23Å; S743-P745 WeakPolarHBondContact O-CD 3.41Å; S743-K746 PolarHBondContact N-O 3.42Å; S743-K746 PolarHBondContact O-N 3.45Å
744	G	85.8	Confident	92	Very high	34 Å²	34	53.6 Å²	53.6	35%	0.351	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	-115.6	-179.4	0	0	0	0	0	112.3	K746	G744-K746 PolarHBondContact O-N 3.35Å
745	P	87.2	Confident	92.2	Very high	48 Å²	48	51.9 Å²	51.9	31%	0.312	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-3.7	-174	34.1	-33.7	0	0	0	113.4	M220 L235 N639 S743	M220-P745 HydrophobicContact CE-CB 4.08Å; M220-P745 HydrophobicContact SD-CB 4.4Å; L235-P745 HydrophobicContact CD2-CG 4.2Å; N639-P745 PolarHBondContact ND2-O 3.13Å; S743-P745 VanDerWaalsContact O-CD 3.23Å; S743-P745 WeakPolarHBondContact O-CD 3.41Å
746	K	91.6	Very high	92.4	Very high	55 Å²	55	50.5 Å²	50.5	24%	0.239	32%	0.321	C	S	.	.			trans	-106.6	97.6	179.3	-62.5	-174.4	-179.1	69.5	0	109.9	F637 F741 W742 S743 G744	F637-K746 HydrophobicContact CB-CG 4.24Å; F637-K746 HydrophobicContact CD1-CB 4.49Å; F637-K746 HydrophobicContact CD1-CD 4.23Å; F637-K746 HydrophobicContact CD1-CG 4.17Å; F637-K746 HydrophobicContact CE1-CD 4.45Å; F637-K746 HydrophobicContact CG-CD 4.46Å; F637-K746 HydrophobicContact CG-CG 4.19Å; F741-K746 HydrophobicContact CE1-CD 4.08Å; F741-K746 HydrophobicContact CE2-CD 4.25Å; F741-K746 HydrophobicContact CZ-CD 3.93Å; W742-K746 CarbonylContact C-O 3.59Å; W742-K746 WeakPolarHBondContact CA-O 3.41Å; W742-K746 HydrophobicContact CE3-CB 4.05Å; W742-K746 HydrophobicContact CZ3-CB 4.49Å; S743-K746 PolarHBondContact N-O 3.42Å; S743-K746 PolarHBondContact O-N 3.45Å; G744-K746 PolarHBondContact O-N 3.35Å
747	R	92.4	Very high	92.7	Very high	42 Å²	42	50.1 Å²	50.1	16%	0.158	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-78.5	131.4	173.8	-57	-176.5	74	83	-9	109.3	E252 N639 W742 P749 Y873 D874	E252-R747 VanDerWaalsContact CD-NH2 3.29Å; E252-R747 IonicContact OE1-CZ 2.69Å; E252-R747 IonicContact OE1-NH1 3.87Å; E252-R747 IonicContact OE1-NH2 3.7Å; E252-R747 PolarHBondContact OE1-NH2 3.12Å; E252-R747 IonicContact OE2-CZ 2.91Å; E252-R747 IonicContact OE2-NH1 3.94Å; E252-R747 PolarHBondContact OE2-NH1 3.09Å; E252-R747 IonicContact OE2-NH2 3.88Å; E252-R747 PolarHBondContact OE2-NH2 2.82Å; E252-R747 VanDerWaalsContact OE2-NH2 3.08Å; N639-R747 HydrophobicContact CB-CG 4.16Å; W742-R747 VanDerWaalsContact CE3-O 3.28Å; W742-R747 VanDerWaalsContact CZ3-O 3.25Å; W742-R747 WeakPolarHBondContact CZ3-O 3.35Å; R747-P749 WeakPolarHBondContact O-CD 3.38Å; R747-Y873 HydrophobicContact CB-CD1 4.46Å; R747-Y873 VanDerWaalsContact CD-O 3.31Å; R747-Y873 WeakPolarHBondContact CD-O 3.24Å; R747-Y873 PolarHBondContact NE-O 3.05Å; R747-Y873 WeakPolarHBondContact O-CD1 3.43Å; R747-D874 PolarHBondContact NE-O 3.19Å; R747-D874 PolarHBondContact NH2-O 2.81Å
748	C	95.2	Very high	93.1	Very high	42 Å²	42	47.3 Å²	47.3	28%	0.284	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-69.9	121.3	177.3	-174.8	0	0	0	0	109	W742	W742-C748 HydrophobicContact CB-CB 3.85Å; W742-C748 HydrophobicContact CD2-CB 3.97Å; W742-C748 HydrophobicContact CE3-CB 4.3Å; W742-C748 HydrophobicContact CG-CB 3.78Å
749	P	97.5	Very high	93.5	Very high	5 Å²	5	48.9 Å²	48.9	3%	0.032	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-80.5	167.9	179.8	32.7	-34.8	0	0	0	112.4	I722 L725 L726 W742 R747 N872 Y873	I722-P749 HydrophobicContact CD1-CB 4.28Å; I722-P749 HydrophobicContact CG2-CB 3.81Å; I722-P749 HydrophobicContact CG2-CG 4.1Å; L725-P749 HydrophobicContact CD2-CG 4Å; L726-P749 HydrophobicContact CD2-CG 3.91Å; L726-P749 HydrophobicContact CG-CG 4.22Å; W742-P749 VanDerWaalsContact CH2-CD 3.45Å; W742-P749 HydrophobicContact CH2-CG 4.15Å; R747-P749 WeakPolarHBondContact O-CD 3.38Å; P749-N872 CarbonylContact C-O 3.54Å; P749-N872 WeakPolarHBondContact CA-O 3.38Å; P749-N872 WeakPolarHBondContact CB-O 3.38Å; P749-Y873 HydrophobicContact CB-CD1 3.81Å; P749-Y873 HydrophobicContact CB-CD2 4.41Å; P749-Y873 HydrophobicContact CB-CE1 3.61Å; P749-Y873 HydrophobicContact CB-CE2 4.24Å; P749-Y873 HydrophobicContact CB-CG 4.2Å; P749-Y873 HydrophobicContact CG-CD1 4.42Å; P749-Y873 HydrophobicContact CG-CE1 3.89Å
750	H	98	Very high	94	Very high	63 Å²	63	48.6 Å²	48.6	29%	0.292	28%	0.279	S	S	.	.			trans	-134.3	142.8	167	57.2	83.8	0	0	0	111.2	E871 N872 D874	H750-E871 PolarHBondContact CE1-O 3.04Å; H750-E871 PolarHBondContact NE2-O 3.36Å; H750-N872 PolarHBondContact N-O 3.39Å; H750-N872 PolarHBondContact O-ND2 3.35Å; H750-D874 IonicContact CD2-OD1 2.86Å; H750-D874 IonicContact CD2-OD2 3.14Å; H750-D874 IonicContact NE2-OD1 2.71Å; H750-D874 PolarHBondContact NE2-OD1 3.14Å
751	P	97.9	Very high	94.4	Very high	49 Å²	49	47 Å²	47	32%	0.318	27%	0.269	S	S	.	.			trans	-75	134.1	-179.9	30.6	-33.8	0	0	0	110.9	I722 R723	I722-P751 HydrophobicContact CB-CB 4.36Å; I722-P751 HydrophobicContact CG2-CB 4.21Å; R723-P751 HydrophobicContact CG-CB 3.8Å; R723-P751 HydrophobicContact CG-CG 4.06Å
752	L	98.1	Very high	94.7	Very high	10 Å²	10	47.1 Å²	47.1	5%	0.052	27%	0.27	C	S	.	.			trans	-85	151.1	177.5	-60.9	178	0	0	0	111.7	W714 Y718 S719 L868 E871 N872	W714-L752 HydrophobicContact CH2-CB 3.62Å; W714-L752 HydrophobicContact CZ2-CB 3.98Å; W714-L752 HydrophobicContact CZ2-CD1 4.49Å; Y718-L752 PolarHBondContact O-N 3.4Å; S719-L752 WeakPolarHBondContact CB-O 3.42Å; S719-L752 PolarHBondContact OG-O 3.32Å; L752-L868 HydrophobicContact CD1-CD2 4.22Å; L752-E871 HydrophobicContact CD1-CB 4.17Å; L752-E871 HydrophobicContact CD1-CG 4.31Å; L752-E871 HydrophobicContact CD2-CG 3.9Å; L752-N872 WeakPolarHBondContact CG-ND2 2.95Å
753	T	97.1	Very high	95	Very high	119 Å²	119	47.9 Å²	47.9	73%	0.73	28%	0.276	S	S	*	.			trans	-104.5	133.2	170.5	54.5	0	0	0	0	109.9	W714 D755 H761	W714-T753 VanDerWaalsContact CH2-C 3.42Å; T753-D755 PolarHBondContact O-N 3.1Å; T753-D755 VanDerWaalsContact O-N 3.09Å; T753-H761 PolarHBondContact O-CE1 3.33Å
754	F	97.5	Very high	95.5	Very high	44 Å²	44	45.3 Å²	45.3	19%	0.193	26%	0.258	C	S	.	.			trans	-69.8	109.6	-178.4	-172.2	-98.7	0	0	0	111.3	W714 H715 V756 H761 V765 L791	W714-F754 AromaticContact CD2-CD2 3.57Å; W714-F754 HydrophobicContact CD2-CD2 3.57Å; W714-F754 HydrophobicContact CD2-CE2 4.31Å; W714-F754 AromaticContact CE2-CD2 3.81Å; W714-F754 HydrophobicContact CE3-CB 3.82Å; W714-F754 AromaticContact CE3-CD2 3.7Å; W714-F754 HydrophobicContact CE3-CD2 3.7Å; W714-F754 HydrophobicContact CE3-CG 4.23Å; W714-F754 HydrophobicContact CG-CD2 4.01Å; W714-F754 HydrophobicContact CG-CE2 4.31Å; W714-F754 HydrophobicContact CH2-CB 3.99Å; W714-F754 HydrophobicContact CH2-CD2 4.38Å; W714-F754 VanDerWaalsContact CH2-N 3.34Å; W714-F754 HydrophobicContact CZ2-CD2 4.22Å; W714-F754 HydrophobicContact CZ3-CB 3.55Å; W714-F754 HydrophobicContact CZ3-CD2 4.14Å; W714-F754 HydrophobicContact CZ3-CG 4.37Å; H715-F754 VanDerWaalsContact CE1-CB 3.5Å; H715-F754 WeakPolarHBondContact CE1-CB 3.39Å; H715-F754 AromaticContact CE1-CG 3.9Å; H715-F754 WeakPolarHBondContact NE2-CB 3.43Å; F754-V756 HydrophobicContact CE1-CB 4.15Å; F754-H761 HydrophobicContact CD2-CB 4.3Å; F754-H761 HydrophobicContact CE2-CB 3.91Å; F754-V765 HydrophobicContact CE2-CG2 3.87Å; F754-V765 HydrophobicContact CZ-CG2 3.96Å; F754-L791 HydrophobicContact CE1-CB 4.35Å; F754-L791 HydrophobicContact CE1-CD1 4.12Å; F754-L791 HydrophobicContact CE1-CD2 4.41Å; F754-L791 HydrophobicContact CZ-CD1 3.85Å; F754-L791 HydrophobicContact CZ-CD2 4.31Å
755	D	96.7	Very high	96.1	Very high	70 Å²	70	43.7 Å²	43.7	37%	0.374	24%	0.241	S	C	.	.			trans	-100.8	117.8	166.4	-176.4	4.4	0	0	0	111.3	T753 N757 N758 H761	T753-D755 PolarHBondContact O-N 3.1Å; T753-D755 VanDerWaalsContact O-N 3.09Å; D755-N757 PolarHBondContact O-N 3.41Å; D755-N757 WeakPolarHBondContact OD1-CB 3.44Å; D755-N757 PolarHBondContact OD1-N 3.36Å; D755-N757 PolarHBondContact OD1-ND2 3.1Å; D755-N757 VanDerWaalsContact OD1-ND2 3.15Å; D755-N758 HydrophobicContact CB-CB 4.08Å; D755-N758 PolarHBondContact O-N 3.23Å; D755-H761 PolarHBondContact N-ND1 3.37Å; D755-H761 WeakPolarHBondContact O-CB 3.42Å; D755-H761 PolarHBondContact O-ND1 3.3Å
756	V	95.5	Very high	96.7	Very high	21 Å²	21	41.4 Å²	41.4	13%	0.127	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-21.5	177.9	69.8	0	0	0	0	113.3	F754 A788 L791 Q792	F754-V756 HydrophobicContact CE1-CB 4.15Å; V756-A788 HydrophobicContact CG2-CB 3.74Å; V756-A788 WeakPolarHBondContact CG2-O 3.33Å; V756-L791 HydrophobicContact CG2-CB 4.17Å; V756-L791 HydrophobicContact CG2-CD1 4.15Å; V756-Q792 HydrophobicContact CG1-CG 4.43Å
757	N	94.6	Very high	97	Very high	130 Å²	130	38.9 Å²	38.9	70%	0.695	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89	-11.6	178.5	-53.1	-74.9	0	0	0	112.5	D755 P759	D755-N757 PolarHBondContact O-N 3.41Å; D755-N757 WeakPolarHBondContact OD1-CB 3.44Å; D755-N757 PolarHBondContact OD1-N 3.36Å; D755-N757 PolarHBondContact OD1-ND2 3.1Å; D755-N757 VanDerWaalsContact OD1-ND2 3.15Å; N757-P759 WeakPolarHBondContact O-CD 3.23Å
758	N	96.2	Very high	97.3	Very high	41 Å²	41	36.9 Å²	36.9	22%	0.219	21%	0.208	C	C	.	.			trans	-73.5	115.4	172.1	-175.7	-14.6	0	0	0	108.8	D755 L760 H761 L762	D755-N758 HydrophobicContact CB-CB 4.08Å; D755-N758 PolarHBondContact O-N 3.23Å; N758-L760 PolarHBondContact O-N 3.46Å; N758-L760 WeakPolarHBondContact OD1-CB 3.38Å; N758-L760 PolarHBondContact OD1-N 3.07Å; N758-H761 HydrophobicContact CB-CB 4.18Å; N758-H761 PolarHBondContact ND2-CD2 2.93Å; N758-H761 PolarHBondContact ND2-NE2 3.11Å; N758-H761 PolarHBondContact O-N 3.47Å; N758-H761 VanDerWaalsContact O-N 3.15Å; N758-L762 PolarHBondContact O-N 3.09Å; N758-L762 VanDerWaalsContact O-N 3.14Å
759	P	96.1	Very high	97.5	Very high	81 Å²	81	34.9 Å²	34.9	53%	0.526	20%	0.195	S	C	.	.	H	α-helix	trans	-58	-35.4	-177.9	23.3	-33.7	0	0	0	112.5	N757 H761 L762 D763 R784	N757-P759 WeakPolarHBondContact O-CD 3.23Å; P759-H761 PolarHBondContact O-N 2.8Å; P759-L762 CarbonylContact O-C 3.6Å; P759-L762 PolarHBondContact O-N 2.91Å; P759-D763 WeakPolarHBondContact O-CB 3.48Å; P759-D763 PolarHBondContact O-N 3.34Å; P759-D763 VanDerWaalsContact O-OD2 3.09Å; P759-R784 PolarHBondContact O-NH2 3.35Å
760	L	97.1	Very high	97.5	Very high	33 Å²	33	35.1 Å²	35.1	17%	0.173	20%	0.196	C	C	.	.	H	α-helix	trans	-63	-42.3	179	176.7	62.1	0	0	0	112.1	N758 L762 D763 Y764 A864 N867 L868	N758-L760 PolarHBondContact O-N 3.46Å; N758-L760 WeakPolarHBondContact OD1-CB 3.38Å; N758-L760 PolarHBondContact OD1-N 3.07Å; L760-L762 VanDerWaalsContact C-N 3.33Å; L760-D763 PolarHBondContact O-N 3.18Å; L760-Y764 PolarHBondContact O-N 3.37Å; L760-Y764 VanDerWaalsContact O-N 3.11Å; L760-A864 HydrophobicContact CD1-CB 4.16Å; L760-N867 HydrophobicContact CD1-CB 3.91Å; L760-N867 HydrophobicContact CD2-CB 4.1Å; L760-L868 HydrophobicContact CD2-CD2 4.18Å; L760-L868 HydrophobicContact CD2-CG 4.23Å; L760-L868 HydrophobicContact CG-CD2 4.16Å; L760-L868 HydrophobicContact CG-CG 4.08Å
761	H	98.2	Very high	97.5	Very high	5 Å²	5	32.1 Å²	32.1	2%	0.023	18%	0.182	C	C	.	.	H	α-helix	trans	-65.5	-41.7	177.1	-65.1	-173.2	0	0	0	110.7	W714 T753 F754 D755 N758 P759 Y764 V765 L868	W714-H761 AromaticContact CZ2-CE1 3.76Å; W714-H761 AromaticContact CZ2-ND1 3.95Å; W714-H761 AromaticContact CZ2-NE2 3.88Å; T753-H761 PolarHBondContact O-CE1 3.33Å; F754-H761 HydrophobicContact CD2-CB 4.3Å; F754-H761 HydrophobicContact CE2-CB 3.91Å; D755-H761 PolarHBondContact N-ND1 3.37Å; D755-H761 WeakPolarHBondContact O-CB 3.42Å; D755-H761 PolarHBondContact O-ND1 3.3Å; N758-H761 HydrophobicContact CB-CB 4.18Å; N758-H761 PolarHBondContact ND2-CD2 2.93Å; N758-H761 PolarHBondContact ND2-NE2 3.11Å; N758-H761 PolarHBondContact O-N 3.47Å; N758-H761 VanDerWaalsContact O-N 3.15Å; P759-H761 PolarHBondContact O-N 2.8Å; H761-Y764 PolarHBondContact O-N 3.21Å; H761-V765 WeakPolarHBondContact O-CG2 3.47Å; H761-V765 PolarHBondContact O-N 2.86Å; H761-L868 WeakPolarHBondContact CD2-CD2 3.18Å
762	L	97.9	Very high	97.6	Very high	16 Å²	16	30.2 Å²	30.2	8%	0.084	17%	0.169	C	C	.	.	H	α-helix	trans	-69.7	-37.4	177.9	-172.1	60.8	0	0	0	111.8	N758 P759 L760 Y764 V765 M766 R784 V787 A788 L791	N758-L762 PolarHBondContact O-N 3.09Å; N758-L762 VanDerWaalsContact O-N 3.14Å; P759-L762 CarbonylContact O-C 3.6Å; P759-L762 PolarHBondContact O-N 2.91Å; L760-L762 VanDerWaalsContact C-N 3.33Å; L762-Y764 VanDerWaalsContact C-N 3.32Å; L762-Y764 PolarHBondContact O-N 3.15Å; L762-V765 PolarHBondContact O-N 2.95Å; L762-M766 HydrophobicContact CD1-CG 4.46Å; L762-M766 HydrophobicContact CG-CG 4.37Å; L762-M766 WeakPolarHBondContact O-CB 3.5Å; L762-M766 WeakPolarHBondContact O-CG 3.44Å; L762-M766 PolarHBondContact O-N 2.88Å; L762-R784 HydrophobicContact CD2-CB 4.12Å; L762-V787 HydrophobicContact CD1-CG1 4.07Å; L762-A788 HydrophobicContact CD1-CB 4.39Å; L762-A788 HydrophobicContact CD2-CB 4.36Å; L762-L791 HydrophobicContact CD1-CD1 4.01Å
763	D	97.2	Very high	97.6	Very high	43 Å²	43	29.8 Å²	29.8	23%	0.23	17%	0.166	C	C	.	.	H	α-helix	trans	-58	-45.9	174.2	-72.4	-31.3	0	0	0	110.7	P759 L760 V765 M766 A767 R784 A864	P759-D763 WeakPolarHBondContact O-CB 3.48Å; P759-D763 PolarHBondContact O-N 3.34Å; P759-D763 VanDerWaalsContact O-OD2 3.09Å; L760-D763 PolarHBondContact O-N 3.18Å; D763-V765 PolarHBondContact O-N 3.06Å; D763-M766 PolarHBondContact O-N 2.86Å; D763-A767 WeakPolarHBondContact O-CB 3.36Å; D763-A767 PolarHBondContact O-N 2.87Å; D763-R784 IonicContact OD1-CZ 3.04Å; D763-R784 IonicContact OD1-NH1 2.65Å; D763-R784 PolarHBondContact OD1-NH1 3.3Å; D763-R784 IonicContact OD1-NH2 2.68Å; D763-R784 PolarHBondContact OD1-NH2 2.84Å; D763-A864 HydrophobicContact CB-CB 4.13Å
764	Y	98.6	Very high	97.6	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-57.4	-51.1	175	179	-91.3	0	0	0	111.7	H713 W714 Y718 L760 H761 L762 M766 A767 A768 F861 A864 A865 L868	H713-Y764 PolarHBondContact ND1-OH 3.1Å; W714-Y764 HydrophobicContact CB-CD1 4.09Å; W714-Y764 HydrophobicContact CB-CE1 3.82Å; W714-Y764 AromaticContact CD1-CD1 3.51Å; W714-Y764 AromaticContact CD1-CE1 3.95Å; W714-Y764 HydrophobicContact CG-CD1 4.21Å; W714-Y764 HydrophobicContact CG-CE1 4.32Å; Y718-Y764 HydrophobicContact CE2-CD2 4.22Å; Y718-Y764 HydrophobicContact CE2-CE1 4.21Å; Y718-Y764 AromaticContact CE2-CE2 3.84Å; Y718-Y764 HydrophobicContact CE2-CE2 3.84Å; Y718-Y764 AromaticContact CE2-CZ 3.82Å; Y718-Y764 AromaticContact CZ-CE2 3.96Å; Y718-Y764 WeakPolarHBondContact OH-CE2 3.23Å; L760-Y764 PolarHBondContact O-N 3.37Å; L760-Y764 VanDerWaalsContact O-N 3.11Å; H761-Y764 PolarHBondContact O-N 3.21Å; L762-Y764 VanDerWaalsContact C-N 3.32Å; L762-Y764 PolarHBondContact O-N 3.15Å; Y764-M766 VanDerWaalsContact C-N 3.34Å; Y764-M766 PolarHBondContact O-N 2.85Å; Y764-A767 PolarHBondContact O-N 3.21Å; Y764-A768 HydrophobicContact CD1-CB 4.46Å; Y764-A768 HydrophobicContact CE1-CB 4.19Å; Y764-A768 WeakPolarHBondContact O-CB 3.31Å; Y764-A768 PolarHBondContact O-N 3.32Å; Y764-F861 HydrophobicContact CD2-CE2 4.36Å; Y764-F861 HydrophobicContact CE2-CD2 4.26Å; Y764-F861 AromaticContact CE2-CE2 3.64Å; Y764-F861 HydrophobicContact CE2-CE2 3.64Å; Y764-F861 HydrophobicContact CE2-CZ 4.26Å; Y764-A864 HydrophobicContact CD2-CB 4.46Å; Y764-A865 HydrophobicContact CD2-CB 4.07Å; Y764-A865 HydrophobicContact CE2-CB 3.89Å; Y764-L868 HydrophobicContact CD1-CD1 4.46Å; Y764-L868 HydrophobicContact CD2-CD1 3.77Å; Y764-L868 HydrophobicContact CG-CD1 3.67Å
765	V	98.6	Very high	97.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-62.5	-43.1	-178.8	173.3	0	0	0	0	111.2	V707 A710 F754 H761 L762 D763 A769 V787 L791	V707-V765 HydrophobicContact CG1-CG1 4.06Å; A710-V765 HydrophobicContact CB-CG1 4.12Å; F754-V765 HydrophobicContact CE2-CG2 3.87Å; F754-V765 HydrophobicContact CZ-CG2 3.96Å; H761-V765 WeakPolarHBondContact O-CG2 3.47Å; H761-V765 PolarHBondContact O-N 2.86Å; L762-V765 PolarHBondContact O-N 2.95Å; D763-V765 PolarHBondContact O-N 3.06Å; V765-A769 WeakPolarHBondContact O-CB 3.34Å; V765-A769 PolarHBondContact O-N 3.02Å; V765-V787 HydrophobicContact CG1-CG1 4.03Å; V765-L791 HydrophobicContact CG1-CD1 4.13Å; V765-L791 HydrophobicContact CG1-CD2 4.2Å; V765-L791 HydrophobicContact CG2-CD1 4.45Å
766	M	98.3	Very high	97.7	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-60.5	-49.4	179	-72.3	-61	-61	0	0	111.4	M41 L762 D763 Y764 N770 S781 R784 V787	M41-M766 HydrophobicContact CE-CB 3.95Å; M41-M766 HydrophobicContact CE-CE 4.34Å; M41-M766 HydrophobicContact CE-CG 4.01Å; L762-M766 HydrophobicContact CD1-CG 4.46Å; L762-M766 HydrophobicContact CG-CG 4.37Å; L762-M766 WeakPolarHBondContact O-CB 3.5Å; L762-M766 WeakPolarHBondContact O-CG 3.44Å; L762-M766 PolarHBondContact O-N 2.88Å; D763-M766 PolarHBondContact O-N 2.86Å; Y764-M766 VanDerWaalsContact C-N 3.34Å; Y764-M766 PolarHBondContact O-N 2.85Å; M766-N770 WeakPolarHBondContact O-CB 3.45Å; M766-N770 PolarHBondContact O-N 2.83Å; M766-N770 PolarHBondContact O-ND2 3.02Å; M766-S781 WeakPolarHBondContact CE-O 3.38Å; M766-R784 HydrophobicContact CE-CG 4.12Å; M766-R784 HydrophobicContact CG-CG 4.19Å; M766-R784 HydrophobicContact SD-CG 4.2Å; M766-V787 HydrophobicContact SD-CB 3.85Å; M766-V787 HydrophobicContact SD-CG1 3.92Å; M766-V787 HydrophobicContact SD-CG2 3.72Å
767	A	98.3	Very high	97.7	Very high	2 Å²	2	24.7 Å²	24.7	2%	0.017	14%	0.144	C	C	.	.	H	α-helix	trans	-68.4	-48.8	-179.5	0	0	0	0	0	111.4	D763 Y764 A769 N770 L771 F857 D860 F861	D763-A767 WeakPolarHBondContact O-CB 3.36Å; D763-A767 PolarHBondContact O-N 2.87Å; Y764-A767 PolarHBondContact O-N 3.21Å; A767-A769 PolarHBondContact O-N 2.86Å; A767-N770 PolarHBondContact O-N 3.49Å; A767-L771 VanDerWaalsContact O-CG 3.25Å; A767-L771 WeakPolarHBondContact O-CG 3.48Å; A767-L771 PolarHBondContact O-N 3.47Å; A767-F857 HydrophobicContact CB-CB 4.22Å; A767-D860 HydrophobicContact CB-CB 4.05Å; A767-F861 HydrophobicContact CB-CB 3.8Å
768	A	98.6	Very high	97.8	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-60.6	-44.1	-179	0	0	0	0	0	112.4	W709 A710 Y764 F772 F861	W709-A768 HydrophobicContact CZ3-CB 4.16Å; A710-A768 HydrophobicContact CB-CB 3.9Å; Y764-A768 HydrophobicContact CD1-CB 4.46Å; Y764-A768 HydrophobicContact CE1-CB 4.19Å; Y764-A768 WeakPolarHBondContact O-CB 3.31Å; Y764-A768 PolarHBondContact O-N 3.32Å; A768-F772 VanDerWaalsContact O-CB 3.27Å; A768-F772 WeakPolarHBondContact O-CB 3.24Å; A768-F772 PolarHBondContact O-N 2.94Å; A768-F861 HydrophobicContact CB-CD2 4.01Å; A768-F861 HydrophobicContact CB-CE2 4.01Å
769	A	98.6	Very high	97.8	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-67.6	-39.4	178.9	0	0	0	0	0	112.2	W703 C706 V707 A710 V765 A767 F772 A773	W703-A769 HydrophobicContact CH2-CB 3.49Å; W703-A769 VanDerWaalsContact CH2-CB 3.49Å; W703-A769 HydrophobicContact CZ2-CB 4.27Å; W703-A769 VanDerWaalsContact CZ3-C 3.46Å; W703-A769 HydrophobicContact CZ3-CB 3.7Å; W703-A769 WeakPolarHBondContact CZ3-O 3.41Å; C706-A769 HydrophobicContact CB-CB 4.19Å; V707-A769 HydrophobicContact CG2-CB 4.12Å; A710-A769 HydrophobicContact CB-CB 4.09Å; V765-A769 WeakPolarHBondContact O-CB 3.34Å; V765-A769 PolarHBondContact O-N 3.02Å; A767-A769 PolarHBondContact O-N 2.86Å; A769-F772 PolarHBondContact O-N 2.94Å; A769-A773 WeakPolarHBondContact O-CB 3.44Å; A769-A773 PolarHBondContact O-N 2.82Å
770	N	98.6	Very high	97.8	Very high	9 Å²	9	22.8 Å²	22.8	5%	0.048	14%	0.142	C	C	.	.	H	α-helix	trans	-65.7	-44.5	176.9	-84.3	-66.8	0	0	0	111.8	M766 A767 A773 Q774 G780 S781 F857	M766-N770 WeakPolarHBondContact O-CB 3.45Å; M766-N770 PolarHBondContact O-N 2.83Å; M766-N770 PolarHBondContact O-ND2 3.02Å; A767-N770 PolarHBondContact O-N 3.49Å; N770-A773 WeakPolarHBondContact O-CB 3.34Å; N770-A773 PolarHBondContact O-N 2.93Å; N770-Q774 WeakPolarHBondContact O-CG 3.14Å; N770-Q774 PolarHBondContact O-N 3.05Å; N770-G780 VanDerWaalsContact OD1-CA 3.28Å; N770-G780 WeakPolarHBondContact OD1-CA 3.34Å; N770-S781 PolarHBondContact ND2-O 3.31Å; N770-S781 VanDerWaalsContact ND2-O 3.16Å; N770-F857 HydrophobicContact CB-CD2 3.85Å; N770-F857 HydrophobicContact CB-CE2 3.95Å; N770-F857 HydrophobicContact CB-CG 4.22Å; N770-F857 HydrophobicContact CB-CZ 4.38Å
771	L	98.6	Very high	97.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-64.7	-40.7	176.3	-65.3	170	0	0	0	111.7	F652 F656 A767 A773 Q774 T775 I847 N856 F857 F861	F652-L771 HydrophobicContact CD2-CD1 4.05Å; F652-L771 HydrophobicContact CE2-CD1 3.73Å; F652-L771 HydrophobicContact CE2-CD2 4.17Å; F656-L771 HydrophobicContact CD1-CB 3.71Å; F656-L771 HydrophobicContact CD2-CB 4.06Å; F656-L771 HydrophobicContact CD2-CD1 3.9Å; F656-L771 HydrophobicContact CE1-CB 3.61Å; F656-L771 HydrophobicContact CE2-CB 3.97Å; F656-L771 HydrophobicContact CE2-CD1 3.54Å; F656-L771 HydrophobicContact CE2-CG 4.4Å; F656-L771 HydrophobicContact CG-CB 3.95Å; F656-L771 HydrophobicContact CZ-CB 3.75Å; F656-L771 HydrophobicContact CZ-CD1 3.96Å; A767-L771 VanDerWaalsContact O-CG 3.25Å; A767-L771 WeakPolarHBondContact O-CG 3.48Å; A767-L771 PolarHBondContact O-N 3.47Å; L771-A773 PolarHBondContact O-N 3.11Å; L771-Q774 PolarHBondContact O-N 2.63Å; L771-T775 PolarHBondContact O-N 2.95Å; L771-T775 PolarHBondContact O-OG1 3.2Å; L771-I847 HydrophobicContact CB-CD1 4.11Å; L771-I847 HydrophobicContact CD2-CD1 3.87Å; L771-I847 WeakPolarHBondContact O-CD1 3.49Å; L771-N856 WeakPolarHBondContact CD2-O 3.26Å; L771-F857 HydrophobicContact CD2-CB 4.33Å; L771-F857 HydrophobicContact CG-CB 4.34Å; L771-F861 HydrophobicContact CD1-CB 3.58Å; L771-F861 HydrophobicContact CD1-CD2 4.26Å; L771-F861 HydrophobicContact CD1-CG 3.91Å
772	F	98.5	Very high	97.5	Very high	10 Å²	10	27.8 Å²	27.8	4%	0.044	17%	0.168	C	C	.	.	H	α-helix	trans	-62.5	-43.7	174.1	-162.9	-112.4	0	0	0	111.5	F656 Q698 P700 C706 W709 A768 A769 Q774 T775 Y776	F656-F772 HydrophobicContact CE1-CB 4.38Å; Q698-F772 VanDerWaalsContact O-CZ 3.28Å; Q698-F772 WeakPolarHBondContact O-CZ 3.23Å; P700-F772 HydrophobicContact CB-CD1 4.34Å; P700-F772 HydrophobicContact CB-CE1 3.91Å; P700-F772 HydrophobicContact CG-CD1 3.93Å; P700-F772 HydrophobicContact CG-CE1 3.5Å; P700-F772 VanDerWaalsContact CG-CE1 3.5Å; P700-F772 HydrophobicContact CG-CZ 4.34Å; C706-F772 HydrophobicContact CB-CD1 4.1Å; W709-F772 HydrophobicContact CB-CD1 4.33Å; W709-F772 HydrophobicContact CB-CE1 4.09Å; W709-F772 AromaticContact CD1-CZ 3.69Å; W709-F772 HydrophobicContact CD2-CD1 4.01Å; W709-F772 AromaticContact CD2-CD2 3.77Å; W709-F772 HydrophobicContact CD2-CD2 3.77Å; W709-F772 HydrophobicContact CD2-CE1 4.05Å; W709-F772 AromaticContact CD2-CE2 3.83Å; W709-F772 HydrophobicContact CD2-CE2 3.83Å; W709-F772 AromaticContact CD2-CG 3.86Å; W709-F772 HydrophobicContact CD2-CG 3.86Å; W709-F772 AromaticContact CD2-CZ 3.96Å; W709-F772 HydrophobicContact CD2-CZ 3.96Å; W709-F772 AromaticContact CE2-CD2 3.71Å; W709-F772 AromaticContact CE2-CE2 3.52Å; W709-F772 AromaticContact CE2-CZ 3.94Å; W709-F772 HydrophobicContact CE3-CB 3.82Å; W709-F772 HydrophobicContact CE3-CD1 4.07Å; W709-F772 AromaticContact CE3-CD2 3.83Å; W709-F772 HydrophobicContact CE3-CD2 3.83Å; W709-F772 HydrophobicContact CE3-CE2 4.37Å; W709-F772 AromaticContact CE3-CG 3.65Å; W709-F772 HydrophobicContact CE3-CG 3.65Å; W709-F772 HydrophobicContact CG-CD1 4.1Å; W709-F772 HydrophobicContact CG-CD2 4.48Å; W709-F772 AromaticContact CG-CE1 3.79Å; W709-F772 HydrophobicContact CG-CE1 3.79Å; W709-F772 HydrophobicContact CG-CE2 4.21Å; W709-F772 HydrophobicContact CG-CG 4.43Å; W709-F772 AromaticContact CG-CZ 3.84Å; W709-F772 HydrophobicContact CG-CZ 3.84Å; W709-F772 AromaticContact CH2-CD2 3.86Å; W709-F772 HydrophobicContact CH2-CD2 3.86Å; W709-F772 HydrophobicContact CH2-CE2 4.4Å; W709-F772 HydrophobicContact CH2-CG 4.41Å; W709-F772 AromaticContact CZ2-CD2 3.77Å; W709-F772 HydrophobicContact CZ2-CD2 3.77Å; W709-F772 AromaticContact CZ2-CE2 3.84Å; W709-F772 HydrophobicContact CZ2-CE2 3.84Å; W709-F772 HydrophobicContact CZ3-CB 3.83Å; W709-F772 AromaticContact CZ3-CD2 3.88Å; W709-F772 HydrophobicContact CZ3-CD2 3.88Å; W709-F772 AromaticContact CZ3-CG 3.96Å; W709-F772 HydrophobicContact CZ3-CG 3.96Å; W709-F772 AromaticContact NE1-CE2 3.66Å; W709-F772 AromaticContact NE1-CZ 3.73Å; A768-F772 VanDerWaalsContact O-CB 3.27Å; A768-F772 WeakPolarHBondContact O-CB 3.24Å; A768-F772 PolarHBondContact O-N 2.94Å; A769-F772 PolarHBondContact O-N 2.94Å; F772-Q774 PolarHBondContact O-N 2.91Å; F772-T775 WeakPolarHBondContact O-CB 3.19Å; F772-T775 PolarHBondContact O-N 2.81Å; F772-Y776 HydrophobicContact CD1-CD2 4.49Å; F772-Y776 HydrophobicContact CD1-CE2 4.44Å; F772-Y776 HydrophobicContact CD2-CE2 4.12Å; F772-Y776 HydrophobicContact CE1-CD2 4.33Å; F772-Y776 AromaticContact CE1-CE2 3.97Å; F772-Y776 HydrophobicContact CE1-CE2 3.97Å; F772-Y776 HydrophobicContact CE2-CD2 4.43Å; F772-Y776 AromaticContact CE2-CE2 3.59Å; F772-Y776 HydrophobicContact CE2-CE2 3.59Å; F772-Y776 HydrophobicContact CZ-CD2 4.29Å; F772-Y776 AromaticContact CZ-CE2 3.5Å; F772-Y776 HydrophobicContact CZ-CE2 3.5Å; F772-Y776 WeakPolarHBondContact O-CD2 3.32Å; F772-Y776 PolarHBondContact O-N 3.11Å
773	A	98.3	Very high	97.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-59.6	-46.1	175.2	0	0	0	0	0	112.1	W703 A769 N770 L771 T775 Y776 G777 L778	W703-A773 HydrophobicContact CE3-CB 4.21Å; W703-A773 HydrophobicContact CZ3-CB 4.22Å; A769-A773 WeakPolarHBondContact O-CB 3.44Å; A769-A773 PolarHBondContact O-N 2.82Å; N770-A773 WeakPolarHBondContact O-CB 3.34Å; N770-A773 PolarHBondContact O-N 2.93Å; L771-A773 PolarHBondContact O-N 3.11Å; A773-T775 VanDerWaalsContact C-N 3.29Å; A773-T775 PolarHBondContact O-N 2.66Å; A773-Y776 CarbonylContact O-C 3.57Å; A773-Y776 PolarHBondContact O-N 3.27Å; A773-Y776 VanDerWaalsContact O-N 3.17Å; A773-G777 PolarHBondContact O-N 3.35Å; A773-L778 HydrophobicContact CB-CB 4.03Å; A773-L778 PolarHBondContact O-N 3.47Å
774	Q	97.8	Very high	97.4	Very high	73 Å²	73	32 Å²	32	34%	0.341	19%	0.186	S	C	.	.	H	α-helix	trans	-57.4	-42.6	175.8	-71.9	173.8	30.6	0	0	111.8	N770 L771 F772 Y776 G777 I847	N770-Q774 WeakPolarHBondContact O-CG 3.14Å; N770-Q774 PolarHBondContact O-N 3.05Å; L771-Q774 PolarHBondContact O-N 2.63Å; F772-Q774 PolarHBondContact O-N 2.91Å; Q774-Y776 PolarHBondContact O-N 2.9Å; Q774-G777 PolarHBondContact O-N 3.45Å; Q774-I847 HydrophobicContact CB-CD1 3.84Å
775	T	98	Very high	97.3	Very high	2 Å²	2	35 Å²	35	1%	0.012	21%	0.212	C	C	.	.	H	α-helix	trans	-59.1	-31.5	180	-50.5	0	0	0	0	112.6	A660 L771 F772 A773 M844 Y845	A660-T775 HydrophobicContact CB-CG2 3.85Å; L771-T775 PolarHBondContact O-N 2.95Å; L771-T775 PolarHBondContact O-OG1 3.2Å; F772-T775 WeakPolarHBondContact O-CB 3.19Å; F772-T775 PolarHBondContact O-N 2.81Å; A773-T775 VanDerWaalsContact C-N 3.29Å; A773-T775 PolarHBondContact O-N 2.66Å; T775-M844 HydrophobicContact CG2-CE 3.53Å; T775-M844 CarbonylContact O-C 3.29Å; T775-M844 WeakPolarHBondContact O-CA 3.22Å; T775-M844 WeakPolarHBondContact O-CB 3.32Å; T775-Y845 WeakPolarHBondContact CA-O 3.29Å; T775-Y845 PolarHBondContact O-N 3.27Å
776	Y	97.9	Very high	97.1	Very high	22 Å²	22	37.5 Å²	37.5	9%	0.086	23%	0.232	C	C	.	.	H	α-helix	trans	-103.1	2.9	177.3	-70.2	-94.1	0	0	0	114.1	S694 R699 P700 F772 A773 Q774 F842 M844	S694-Y776 VanDerWaalsContact CA-OH 3.23Å; S694-Y776 WeakPolarHBondContact CA-OH 3.47Å; S694-Y776 WeakPolarHBondContact CB-OH 3.48Å; S694-Y776 WeakPolarHBondContact O-CE1 3.47Å; S694-Y776 PolarHBondContact O-OH 2.8Å; S694-Y776 VanDerWaalsContact O-OH 3.05Å; R699-Y776 HydrophobicContact CG-CD1 4.47Å; R699-Y776 HydrophobicContact CG-CE1 4.19Å; P700-Y776 HydrophobicContact CG-CD1 4.13Å; P700-Y776 HydrophobicContact CG-CD2 3.57Å; P700-Y776 HydrophobicContact CG-CE2 4.02Å; P700-Y776 HydrophobicContact CG-CG 3.62Å; F772-Y776 HydrophobicContact CD1-CD2 4.49Å; F772-Y776 HydrophobicContact CD1-CE2 4.44Å; F772-Y776 HydrophobicContact CD2-CE2 4.12Å; F772-Y776 HydrophobicContact CE1-CD2 4.33Å; F772-Y776 AromaticContact CE1-CE2 3.97Å; F772-Y776 HydrophobicContact CE1-CE2 3.97Å; F772-Y776 HydrophobicContact CE2-CD2 4.43Å; F772-Y776 AromaticContact CE2-CE2 3.59Å; F772-Y776 HydrophobicContact CE2-CE2 3.59Å; F772-Y776 HydrophobicContact CZ-CD2 4.29Å; F772-Y776 AromaticContact CZ-CE2 3.5Å; F772-Y776 HydrophobicContact CZ-CE2 3.5Å; F772-Y776 WeakPolarHBondContact O-CD2 3.32Å; F772-Y776 PolarHBondContact O-N 3.11Å; A773-Y776 CarbonylContact O-C 3.57Å; A773-Y776 PolarHBondContact O-N 3.27Å; A773-Y776 VanDerWaalsContact O-N 3.17Å; Q774-Y776 PolarHBondContact O-N 2.9Å; Y776-F842 HydrophobicContact CD1-CE2 4.25Å; Y776-F842 AromaticContact CD1-CZ 3.89Å; Y776-F842 HydrophobicContact CD1-CZ 3.89Å; Y776-F842 HydrophobicContact CE1-CZ 4.05Å; Y776-M844 HydrophobicContact CD1-CE 4.5Å; Y776-M844 HydrophobicContact CD1-CG 4.35Å; Y776-M844 HydrophobicContact CD2-CE 4.38Å; Y776-M844 HydrophobicContact CE1-CE 3.9Å; Y776-M844 HydrophobicContact CE1-CG 4.3Å; Y776-M844 HydrophobicContact CE1-SD 3.95Å; Y776-M844 HydrophobicContact CE2-CE 3.77Å
777	G	96.2	Very high	97.1	Very high	51 Å²	51	37.6 Å²	37.6	53%	0.526	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	31.3	-178.7	0	0	0	0	0	114.6	A773 Q774	A773-G777 PolarHBondContact O-N 3.35Å; Q774-G777 PolarHBondContact O-N 3.45Å
778	L	97.1	Very high	97	Very high	49 Å²	49	38.4 Å²	38.4	26%	0.257	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-97.1	149.1	175.9	-62.1	177.7	0	0	0	111.5	P700 A773 G780	P700-L778 HydrophobicContact CB-CD1 3.86Å; P700-L778 HydrophobicContact CG-CD1 3.88Å; A773-L778 HydrophobicContact CB-CB 4.03Å; A773-L778 PolarHBondContact O-N 3.47Å; L778-G780 PolarHBondContact O-N 2.87Å
779	T	96.1	Very high	96.9	Very high	130 Å²	130	43.1 Å²	43.1	80%	0.798	27%	0.268	S	S	*	.	P	Polyproline II helix	trans	-74.2	119.3	175.2	-52.4	0	0	0	0	110.8
780	G	95.4	Very high	96.8	Very high	32 Å²	32	46.4 Å²	46.4	33%	0.33	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-82.7	160.7	173.4	0	0	0	0	0	113.7	N770 L778	N770-G780 VanDerWaalsContact OD1-CA 3.28Å; N770-G780 WeakPolarHBondContact OD1-CA 3.34Å; L778-G780 PolarHBondContact O-N 2.87Å
781	S	95.3	Very high	96.7	Very high	40 Å²	40	46.4 Å²	46.4	28%	0.28	28%	0.283	S	S	.	.			trans	-117	148.5	173.5	-179.8	0	0	0	0	110.9	M766 N770 D783	M766-S781 WeakPolarHBondContact CE-O 3.38Å; N770-S781 PolarHBondContact ND2-O 3.31Å; N770-S781 VanDerWaalsContact ND2-O 3.16Å; S781-D783 PolarHBondContact OG-N 3.05Å; S781-D783 VanDerWaalsContact OG-N 3.16Å
782	Q	94.3	Very high	96.5	Very high	103 Å²	103	53.2 Å²	53.2	48%	0.481	32%	0.315	S	S	.	.			trans	-104.2	1.4	173	-65	-174.1	-1.1	0	0	113	R784 F857	Q782-R784 PolarHBondContact O-N 3.4Å; Q782-F857 HydrophobicContact CG-CE1 4.48Å; Q782-F857 HydrophobicContact CG-CZ 3.89Å
783	D	96	Very high	96.4	Very high	86 Å²	86	56.5 Å²	56.5	46%	0.46	34%	0.339	S	S	.	.			trans	-73.5	92.9	178.6	-171.9	-20.6	0	0	0	111.2	S781 A785 A786 V787	S781-D783 PolarHBondContact OG-N 3.05Å; S781-D783 VanDerWaalsContact OG-N 3.16Å; D783-A785 VanDerWaalsContact C-N 3.26Å; D783-A785 PolarHBondContact O-N 3Å; D783-A785 WeakPolarHBondContact OD1-CB 3.28Å; D783-A785 PolarHBondContact OD1-N 3.42Å; D783-A786 HydrophobicContact CB-CB 4.01Å; D783-A786 PolarHBondContact O-N 3.44Å; D783-A786 PolarHBondContact OD1-N 2.95Å; D783-V787 WeakPolarHBondContact O-CG2 3.34Å; D783-V787 PolarHBondContact O-N 3.11Å; D783-V787 VanDerWaalsContact O-N 3.14Å
784	R	96.4	Very high	96.2	Very high	61 Å²	61	57.7 Å²	57.7	23%	0.23	35%	0.346	C	S	.	.	H	α-helix	trans	-59.8	-34.1	178.9	-61.5	-172.9	72.9	142	1.1	112.9	M41 P759 L762 D763 M766 Q782 A788	M41-R784 HydrophobicContact CE-CG 3.95Å; M41-R784 VanDerWaalsContact CG-NH1 3.34Å; M41-R784 PolarHBondContact SD-NH1 3.14Å; P759-R784 PolarHBondContact O-NH2 3.35Å; L762-R784 HydrophobicContact CD2-CB 4.12Å; D763-R784 IonicContact OD1-CZ 3.04Å; D763-R784 IonicContact OD1-NH1 2.65Å; D763-R784 PolarHBondContact OD1-NH1 3.3Å; D763-R784 IonicContact OD1-NH2 2.68Å; D763-R784 PolarHBondContact OD1-NH2 2.84Å; M766-R784 HydrophobicContact CE-CG 4.12Å; M766-R784 HydrophobicContact CG-CG 4.19Å; M766-R784 HydrophobicContact SD-CG 4.2Å; Q782-R784 PolarHBondContact O-N 3.4Å; R784-A788 VanDerWaalsContact O-CB 3.28Å; R784-A788 WeakPolarHBondContact O-CB 3.49Å; R784-A788 PolarHBondContact O-N 3.48Å
785	A	95.7	Very high	96.1	Very high	65 Å²	65	62.6 Å²	62.6	54%	0.537	37%	0.369	S	S	.	.	H	α-helix	trans	-73	-41.1	-177	0	0	0	0	0	111.1	D783 A788 T789	D783-A785 VanDerWaalsContact C-N 3.26Å; D783-A785 PolarHBondContact O-N 3Å; D783-A785 WeakPolarHBondContact OD1-CB 3.28Å; D783-A785 PolarHBondContact OD1-N 3.42Å; A785-A788 PolarHBondContact O-N 3.15Å; A785-T789 PolarHBondContact O-N 2.99Å; A785-T789 PolarHBondContact O-OG1 3.45Å
786	A	95.8	Very high	95.9	Very high	51 Å²	51	65.3 Å²	65.3	42%	0.421	39%	0.385	S	S	.	.	H	α-helix	trans	-62.4	-43.7	173.9	0	0	0	0	0	111.5	D783 T789 F790	D783-A786 HydrophobicContact CB-CB 4.01Å; D783-A786 PolarHBondContact O-N 3.44Å; D783-A786 PolarHBondContact OD1-N 2.95Å; A786-T789 PolarHBondContact O-N 3.42Å; A786-F790 PolarHBondContact O-N 2.68Å
787	V	97	Very high	95.6	Very high	4 Å²	4	68.4 Å²	68.4	2%	0.024	41%	0.408	C	S	.	.	H	α-helix	trans	-63.9	-46.9	177	171.2	0	0	0	0	111.6	W703 V707 L762 V765 M766 D783 T789 F790 L791	W703-V787 HydrophobicContact CZ2-CG2 3.95Å; V707-V787 HydrophobicContact CG1-CG1 3.91Å; V707-V787 HydrophobicContact CG2-CG1 4.42Å; V707-V787 HydrophobicContact CG2-CG2 4.26Å; L762-V787 HydrophobicContact CD1-CG1 4.07Å; V765-V787 HydrophobicContact CG1-CG1 4.03Å; M766-V787 HydrophobicContact SD-CB 3.85Å; M766-V787 HydrophobicContact SD-CG1 3.92Å; M766-V787 HydrophobicContact SD-CG2 3.72Å; D783-V787 WeakPolarHBondContact O-CG2 3.34Å; D783-V787 PolarHBondContact O-N 3.11Å; D783-V787 VanDerWaalsContact O-N 3.14Å; V787-T789 VanDerWaalsContact C-N 3.28Å; V787-T789 PolarHBondContact O-N 3.09Å; V787-F790 PolarHBondContact O-N 3.36Å; V787-F790 VanDerWaalsContact O-N 3.14Å; V787-L791 HydrophobicContact CG1-CD1 3.92Å; V787-L791 HydrophobicContact CG1-CG 4.33Å; V787-L791 WeakPolarHBondContact O-CG 3.49Å; V787-L791 PolarHBondContact O-N 2.91Å
788	A	96.3	Very high	95.4	Very high	19 Å²	19	74.9 Å²	74.9	16%	0.157	43%	0.425	C	S	.	.	H	α-helix	trans	-56.9	-41.7	175.7	0	0	0	0	0	112.2	V756 L762 R784 A785	V756-A788 HydrophobicContact CG2-CB 3.74Å; V756-A788 WeakPolarHBondContact CG2-O 3.33Å; L762-A788 HydrophobicContact CD1-CB 4.39Å; L762-A788 HydrophobicContact CD2-CB 4.36Å; R784-A788 VanDerWaalsContact O-CB 3.28Å; R784-A788 WeakPolarHBondContact O-CB 3.49Å; R784-A788 PolarHBondContact O-N 3.48Å; A785-A788 PolarHBondContact O-N 3.15Å
789	T	96.2	Very high	95.3	Very high	98 Å²	98	74.9 Å²	74.9	60%	0.601	42%	0.423	S	S	*	.	H	α-helix	trans	-64.4	-44.2	176.3	-54.3	0	0	0	0	111.4	A785 A786 V787 L791 Q792	A785-T789 PolarHBondContact O-N 2.99Å; A785-T789 PolarHBondContact O-OG1 3.45Å; A786-T789 PolarHBondContact O-N 3.42Å; V787-T789 VanDerWaalsContact C-N 3.28Å; V787-T789 PolarHBondContact O-N 3.09Å; T789-L791 PolarHBondContact O-N 2.91Å; T789-Q792 PolarHBondContact O-N 3.1Å
790	F	96.7	Very high	95.2	Very high	69 Å²	69	73.7 Å²	73.7	30%	0.303	42%	0.415	S	S	.	.	H	α-helix	trans	-64.1	-40.4	179.4	178.1	-100.5	0	0	0	112.6	A704 V707 T708 A786 V787 Q792 S793 V794	A704-F790 HydrophobicContact CB-CE1 4.28Å; A704-F790 HydrophobicContact CB-CE2 3.97Å; A704-F790 HydrophobicContact CB-CZ 3.71Å; A704-F790 WeakPolarHBondContact O-CE1 3.43Å; V707-F790 HydrophobicContact CB-CD1 4.06Å; V707-F790 HydrophobicContact CB-CE1 4.07Å; V707-F790 HydrophobicContact CG1-CD1 3.62Å; V707-F790 HydrophobicContact CG1-CE1 4.01Å; T708-F790 WeakPolarHBondContact OG1-CE1 3.4Å; A786-F790 PolarHBondContact O-N 2.68Å; V787-F790 PolarHBondContact O-N 3.36Å; V787-F790 VanDerWaalsContact O-N 3.14Å; F790-Q792 PolarHBondContact O-N 3.2Å; F790-Q792 VanDerWaalsContact O-N 3.15Å; F790-S793 WeakPolarHBondContact O-CB 3.32Å; F790-S793 PolarHBondContact O-N 3.16Å; F790-S793 PolarHBondContact O-OG 3.43Å; F790-V794 HydrophobicContact CD1-CG2 4.18Å; F790-V794 HydrophobicContact CE1-CG2 3.84Å; F790-V794 HydrophobicContact CZ-CG2 4.46Å
791	L	96.9	Very high	95.1	Very high	10 Å²	10	73.7 Å²	73.7	5%	0.052	41%	0.41	C	S	.	.	H	α-helix	trans	-57.9	-29.6	-178.6	-76.9	165.1	0	0	0	113.7	V707 C711 F754 V756 L762 V765 V787 T789 S793 V794	V707-L791 HydrophobicContact CG1-CD2 3.88Å; V707-L791 HydrophobicContact CG1-CG 4.11Å; C711-L791 HydrophobicContact CB-CD2 3.67Å; F754-L791 HydrophobicContact CE1-CB 4.35Å; F754-L791 HydrophobicContact CE1-CD1 4.12Å; F754-L791 HydrophobicContact CE1-CD2 4.41Å; F754-L791 HydrophobicContact CZ-CD1 3.85Å; F754-L791 HydrophobicContact CZ-CD2 4.31Å; V756-L791 HydrophobicContact CG2-CB 4.17Å; V756-L791 HydrophobicContact CG2-CD1 4.15Å; L762-L791 HydrophobicContact CD1-CD1 4.01Å; V765-L791 HydrophobicContact CG1-CD1 4.13Å; V765-L791 HydrophobicContact CG1-CD2 4.2Å; V765-L791 HydrophobicContact CG2-CD1 4.45Å; V787-L791 HydrophobicContact CG1-CD1 3.92Å; V787-L791 HydrophobicContact CG1-CG 4.33Å; V787-L791 WeakPolarHBondContact O-CG 3.49Å; V787-L791 PolarHBondContact O-N 2.91Å; T789-L791 PolarHBondContact O-N 2.91Å; L791-S793 PolarHBondContact O-N 2.95Å; L791-V794 PolarHBondContact O-N 2.97Å
792	Q	94.7	Very high	94.9	Very high	143 Å²	143	78.7 Å²	78.7	67%	0.668	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-16.5	176.8	-63	175.8	12.2	0	0	113.2	V756 T789 F790	V756-Q792 HydrophobicContact CG1-CG 4.43Å; T789-Q792 PolarHBondContact O-N 3.1Å; F790-Q792 PolarHBondContact O-N 3.2Å; F790-Q792 VanDerWaalsContact O-N 3.15Å
793	S	95.4	Very high	94.5	Very high	79 Å²	79	78.9 Å²	78.9	55%	0.552	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	-6.7	178	72.1	0	0	0	0	114.1	F790 L791	F790-S793 WeakPolarHBondContact O-CB 3.32Å; F790-S793 PolarHBondContact O-N 3.16Å; F790-S793 PolarHBondContact O-OG 3.43Å; L791-S793 PolarHBondContact O-N 2.95Å
794	V	95.5	Very high	93.7	Very high	24 Å²	24	78.3 Å²	78.3	15%	0.145	45%	0.453	C	S	.	.	P	Polyproline II helix	trans	-75.2	126.9	-177.1	176.3	0	0	0	0	110.3	T708 C711 F790 L791	T708-V794 HydrophobicContact CG2-CG1 4.09Å; C711-V794 HydrophobicContact CB-CG1 4.29Å; F790-V794 HydrophobicContact CD1-CG2 4.18Å; F790-V794 HydrophobicContact CE1-CG2 3.84Å; F790-V794 HydrophobicContact CZ-CG2 4.46Å; L791-V794 PolarHBondContact O-N 2.97Å
795	Q	94.4	Very high	92.9	Very high	177 Å²	177	78.3 Å²	78.3	83%	0.827	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-86.8	123.8	174.3	-64.6	178.6	5	0	0	110	H712	H712-Q795 PolarHBondContact NE2-O 3.41Å
796	V	93.8	Very high	92.1	Very high	59 Å²	59	83.9 Å²	83.9	36%	0.358	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-98.6	127	177.8	-178.9	0	0	0	0	108.7	H715	H715-V796 HydrophobicContact CB-CG1 3.93Å; H715-V796 VanDerWaalsContact CE1-CG2 3.5Å; H715-V796 WeakPolarHBondContact CE1-CG2 3.29Å
797	P	92.8	Very high	91.4	Very high	86 Å²	86	82.9 Å²	82.9	56%	0.558	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-65.1	138.1	176.4	27	-33.4	0	0	0	110.9
798	E	92.6	Very high	90.6	Very high	188 Å²	188	85 Å²	85	88%	0.879	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-65.3	137.4	175.2	-170.3	174.7	-174	0	0	110.6
799	F	94.4	Very high	89.9	Confident	49 Å²	49	86 Å²	86	22%	0.215	47%	0.473	C	S	.	.			trans	-109.4	123.2	-179.8	177.8	-104	0	0	0	111.9	N720 R723 Q724 P801	N720-F799 HydrophobicContact CB-CB 4.13Å; N720-F799 HydrophobicContact CB-CD1 3.67Å; N720-F799 HydrophobicContact CB-CD2 3.74Å; N720-F799 HydrophobicContact CB-CE1 3.98Å; N720-F799 HydrophobicContact CB-CE2 4.04Å; N720-F799 HydrophobicContact CB-CG 3.55Å; N720-F799 HydrophobicContact CB-CZ 4.16Å; N720-F799 VanDerWaalsContact CG-CB 3.41Å; N720-F799 VanDerWaalsContact CG-CG 3.42Å; N720-F799 WeakPolarHBondContact O-CE1 3.26Å; N720-F799 WeakPolarHBondContact OD1-CB 3.34Å; R723-F799 HydrophobicContact CB-CD1 4.23Å; R723-F799 HydrophobicContact CB-CE1 4.08Å; Q724-F799 HydrophobicContact CB-CE1 4.31Å; Q724-F799 HydrophobicContact CB-CZ 4.06Å; F799-P801 HydrophobicContact CD1-CG 4.44Å; F799-P801 HydrophobicContact CE1-CB 4.36Å; F799-P801 HydrophobicContact CE1-CG 3.93Å
800	T	94.2	Very high	89	Confident	104 Å²	104	83.2 Å²	83.2	64%	0.638	46%	0.457	S	S	*	.			trans	-110.6	117.9	171.8	-45.1	0	0	0	0	109.4	K802	T800-K802 PolarHBondContact O-N 2.66Å
801	P	92.5	Very high	88	Confident	33 Å²	33	82 Å²	82	21%	0.214	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-55.4	138.5	174.4	-24.1	32.9	0	0	0	111.6	R723 H727 F799	R723-P801 HydrophobicContact CB-CG 4.37Å; H727-P801 HydrophobicContact CB-CB 3.66Å; H727-P801 HydrophobicContact CB-CG 4.22Å; F799-P801 HydrophobicContact CD1-CG 4.44Å; F799-P801 HydrophobicContact CE1-CB 4.36Å; F799-P801 HydrophobicContact CE1-CG 3.93Å
802	K	91.3	Very high	87	Confident	145 Å²	145	89.1 Å²	89.1	63%	0.63	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-96.9	135.2	-179.3	-63.4	176.8	-177	176.4	0	110.3	Q724 T800 V805	Q724-K802 PolarHBondContact NE2-O 2.93Å; T800-K802 PolarHBondContact O-N 2.66Å; K802-V805 HydrophobicContact CB-CG2 3.92Å
803	S	85.4	Confident	86.2	Confident	106 Å²	106	86.3 Å²	86.3	74%	0.741	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	144.2	167.1	-51.6	0	0	0	0	110.6
804	G	78.8	Confident	85	Confident	74 Å²	74	85.3 Å²	85.3	76%	0.763	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.3	-4.4	178	0	0	0	0	0	115.7	K806	G804-K806 PolarHBondContact O-N 2.94Å
805	V	80.1	Confident	83.7	Confident	61 Å²	61	91.7 Å²	91.7	37%	0.37	49%	0.49	S	S	.	.			trans	-66.2	118.5	168.5	-179.4	0	0	0	0	108.1	N728 K802 I807	N728-V805 PolarHBondContact ND2-O 3Å; K802-V805 HydrophobicContact CB-CG2 3.92Å; V805-I807 HydrophobicContact CG1-CG1 4.4Å
806	K	78.5	Confident	82.3	Confident	183 Å²	183	87.5 Å²	87.5	80%	0.796	48%	0.48	S	S	*	.			trans	-86.7	126.4	175.6	-70.2	-174.2	-179.6	179.8	0	109.9	G804	G804-K806 PolarHBondContact O-N 2.94Å
807	I	81.1	Confident	80.8	Confident	30 Å²	30	86.6 Å²	86.6	15%	0.154	48%	0.479	C	S	.	.			trans	-116.5	117.3	172.8	-62.7	177.6	0	0	0	106.7	N636 L725 N728 F729 V805	N636-I807 HydrophobicContact CB-CG2 4.41Å; N636-I807 WeakPolarHBondContact ND2-CG2 3.07Å; L725-I807 HydrophobicContact CD1-CD1 3.77Å; L725-I807 HydrophobicContact CD1-CG2 4.1Å; N728-I807 HydrophobicContact CB-CD1 3.96Å; N728-I807 WeakPolarHBondContact ND2-CD1 3.39Å; N728-I807 WeakPolarHBondContact ND2-CG1 3.15Å; F729-I807 HydrophobicContact CE2-CB 3.91Å; F729-I807 HydrophobicContact CE2-CG2 3.89Å; V805-I807 HydrophobicContact CG1-CG1 4.4Å
808	H	80.7	Confident	78.9	Confident	48 Å²	48	90.2 Å²	90.2	22%	0.222	49%	0.494	C	S	.	.			trans	-73.9	130.8	-178.9	-61.1	-75.5	0	0	0	110.8	C632 E813 L814 A817	C632-H808 PolarHBondContact SG-O 3.06Å; H808-E813 HydrophobicContact CB-CB 4.25Å; H808-E813 PolarHBondContact ND1-O 3.38Å; H808-L814 HydrophobicContact CB-CB 4.16Å; H808-L814 HydrophobicContact CB-CD1 4.36Å; H808-L814 VanDerWaalsContact CD2-CD1 3.42Å; H808-L814 WeakPolarHBondContact CD2-CD1 3.21Å; H808-A817 VanDerWaalsContact CE1-CB 3.49Å; H808-A817 WeakPolarHBondContact CE1-CB 3.43Å
809	V	81.4	Confident	77.1	Confident	39 Å²	39	83.8 Å²	83.8	24%	0.236	47%	0.473	C	S	.	.	S	Bend	trans	-88.1	-22.1	-177.5	-173.7	0	0	0	0	111.5	F637 F729 F741 E813	F637-V809 HydrophobicContact CE2-CG1 4.48Å; F729-V809 HydrophobicContact CE1-CG2 3.82Å; F729-V809 HydrophobicContact CE2-CG2 4.43Å; F729-V809 HydrophobicContact CZ-CG2 3.48Å; F729-V809 VanDerWaalsContact CZ-CG2 3.48Å; F741-V809 HydrophobicContact CE2-CG1 3.97Å; F741-V809 HydrophobicContact CE2-CG2 4.31Å; F741-V809 HydrophobicContact CZ-CG1 4.29Å; V809-E813 PolarHBondContact N-OE2 2.86Å
810	S	78.5	Confident	75.2	Confident	40 Å²	40	86.8 Å²	86.8	28%	0.28	50%	0.5	S	S	.	.	S	Bend	trans	-138.7	157	178	69.6	0	0	0	0	112.7	C632 Q812 E813 L814	C632-S810 PolarHBondContact SG-O 3.32Å; C632-S810 VanDerWaalsContact SG-O 3.37Å; S810-Q812 PolarHBondContact O-N 3.42Å; S810-E813 WeakPolarHBondContact O-CB 3.24Å; S810-E813 PolarHBondContact O-N 3.13Å; S810-E813 VanDerWaalsContact O-N 3.14Å; S810-E813 WeakPolarHBondContact OG-CG 3.48Å; S810-E813 PolarHBondContact OG-N 3.48Å; S810-L814 PolarHBondContact O-N 3.45Å
811	D	74.5	Confident	73.6	Confident	45 Å²	45	84 Å²	84	24%	0.241	48%	0.483	C	S	.	.	H	α-helix	trans	-64.2	-28.6	175.8	-73.7	0.5	0	0	0	111.7	P630 I631 C632 L814 Q815	P630-D811 WeakPolarHBondContact CA-OD2 3.29Å; P630-D811 WeakPolarHBondContact CB-OD2 3.4Å; I631-D811 PolarHBondContact N-OD1 3.16Å; I631-D811 VanDerWaalsContact N-OD1 3.12Å; I631-D811 PolarHBondContact N-OD2 2.83Å; I631-D811 VanDerWaalsContact N-OD2 3.09Å; C632-D811 PolarHBondContact N-OD1 3.02Å; D811-L814 WeakPolarHBondContact O-CB 3.5Å; D811-L814 PolarHBondContact O-N 3.03Å; D811-Q815 WeakPolarHBondContact O-CB 3.43Å; D811-Q815 VanDerWaalsContact O-CG 3.3Å; D811-Q815 WeakPolarHBondContact O-CG 3.49Å; D811-Q815 PolarHBondContact O-N 3.49Å
812	Q	77.2	Confident	72.7	Confident	158 Å²	158	87 Å²	87	74%	0.738	50%	0.497	S	S	*	.	H	α-helix	trans	-63.7	-43.8	172.5	-70.9	179.3	-4.8	0	0	111.6	S810 L814 Q815 S816	S810-Q812 PolarHBondContact O-N 3.42Å; Q812-L814 VanDerWaalsContact C-N 3.32Å; Q812-L814 PolarHBondContact O-N 3.34Å; Q812-Q815 PolarHBondContact O-N 3.24Å; Q812-S816 WeakPolarHBondContact O-CB 3.49Å; Q812-S816 PolarHBondContact O-N 3Å; Q812-S816 PolarHBondContact O-OG 2.76Å
813	E	77.7	Confident	72	Confident	85 Å²	85	85.2 Å²	85.2	40%	0.397	49%	0.494	S	S	.	.	H	α-helix	trans	-62.6	-40.5	173.8	-75.4	174.7	-169.1	0	0	111.5	H808 V809 S810 S816 A817	H808-E813 HydrophobicContact CB-CB 4.25Å; H808-E813 PolarHBondContact ND1-O 3.38Å; V809-E813 PolarHBondContact N-OE2 2.86Å; S810-E813 WeakPolarHBondContact O-CB 3.24Å; S810-E813 PolarHBondContact O-N 3.13Å; S810-E813 VanDerWaalsContact O-N 3.14Å; S810-E813 WeakPolarHBondContact OG-CG 3.48Å; S810-E813 PolarHBondContact OG-N 3.48Å; E813-S816 WeakPolarHBondContact CA-OG 3.42Å; E813-S816 PolarHBondContact O-N 3.47Å; E813-S816 PolarHBondContact O-OG 2.98Å; E813-A817 PolarHBondContact O-N 3.19Å
814	L	70.6	Confident	71.9	Confident	57 Å²	57	84 Å²	84	30%	0.298	49%	0.485	S	S	.	.	H	α-helix	trans	-63.5	-43.7	177.9	-174.2	69.9	0	0	0	111.9	I631 H808 S810 D811 Q812 A817	I631-L814 HydrophobicContact CB-CD2 4.13Å; I631-L814 HydrophobicContact CD1-CD2 4.27Å; I631-L814 HydrophobicContact CG2-CD2 3.78Å; H808-L814 HydrophobicContact CB-CB 4.16Å; H808-L814 HydrophobicContact CB-CD1 4.36Å; H808-L814 VanDerWaalsContact CD2-CD1 3.42Å; H808-L814 WeakPolarHBondContact CD2-CD1 3.21Å; S810-L814 PolarHBondContact O-N 3.45Å; D811-L814 WeakPolarHBondContact O-CB 3.5Å; D811-L814 PolarHBondContact O-N 3.03Å; Q812-L814 VanDerWaalsContact C-N 3.32Å; Q812-L814 PolarHBondContact O-N 3.34Å; L814-A817 WeakPolarHBondContact O-CB 3.38Å; L814-A817 PolarHBondContact O-N 3.12Å
815	Q	67.9	Low	72.2	Confident	159 Å²	159	85 Å²	85	74%	0.743	47%	0.466	S	S	*	.	H	α-helix	trans	-70.2	-35.1	178.5	-71.9	174.2	5.4	0	0	112.7	D811 Q812 A817	D811-Q815 WeakPolarHBondContact O-CB 3.43Å; D811-Q815 VanDerWaalsContact O-CG 3.3Å; D811-Q815 WeakPolarHBondContact O-CG 3.49Å; D811-Q815 PolarHBondContact O-N 3.49Å; Q812-Q815 PolarHBondContact O-N 3.24Å; Q815-A817 VanDerWaalsContact C-N 3.26Å; Q815-A817 PolarHBondContact O-N 3.48Å
816	S	65.1	Low	72.5	Confident	88 Å²	88	82.4 Å²	82.4	62%	0.615	45%	0.451	S	S	*	.	H	α-helix	trans	-75	-15	178.3	70.4	0	0	0	0	113.8	Q812 E813 N818	Q812-S816 WeakPolarHBondContact O-CB 3.49Å; Q812-S816 PolarHBondContact O-N 3Å; Q812-S816 PolarHBondContact O-OG 2.76Å; E813-S816 WeakPolarHBondContact CA-OG 3.42Å; E813-S816 PolarHBondContact O-N 3.47Å; E813-S816 PolarHBondContact O-OG 2.98Å; S816-N818 PolarHBondContact O-N 3.25Å
817	A	61.2	Low	72.9	Confident	40 Å²	40	79.1 Å²	79.1	33%	0.331	44%	0.438	S	S	.	.			trans	-71.4	96.1	177.5	0	0	0	0	0	109.4	H808 E813 L814 Q815 A819	H808-A817 VanDerWaalsContact CE1-CB 3.49Å; H808-A817 WeakPolarHBondContact CE1-CB 3.43Å; E813-A817 PolarHBondContact O-N 3.19Å; L814-A817 WeakPolarHBondContact O-CB 3.38Å; L814-A817 PolarHBondContact O-N 3.12Å; Q815-A817 VanDerWaalsContact C-N 3.26Å; Q815-A817 PolarHBondContact O-N 3.48Å; A817-A819 VanDerWaalsContact C-N 3.27Å; A817-A819 PolarHBondContact O-N 3.14Å
818	N	53.1	Low	73.3	Confident	163 Å²	163	82.1 Å²	82.1	87%	0.872	45%	0.451	S	S	*	.			trans	-59.3	95.5	163.2	-83.3	-22.8	0	0	0	107.7	S816 S820	S816-N818 PolarHBondContact O-N 3.25Å; N818-S820 VanDerWaalsContact C-N 3.34Å; N818-S820 PolarHBondContact O-N 3.37Å
819	A	54.8	Low	73.6	Confident	53 Å²	53	79.9 Å²	79.9	44%	0.438	44%	0.441	S	S	.	.			trans	-70.4	95.5	179.6	0	0	0	0	0	108.2	T682 A817 V821	T682-A819 HydrophobicContact CG2-CB 3.7Å; A817-A819 VanDerWaalsContact C-N 3.27Å; A817-A819 PolarHBondContact O-N 3.14Å; A819-V821 PolarHBondContact O-N 3.07Å; A819-V821 VanDerWaalsContact O-N 3.15Å
820	S	55.8	Low	73.9	Confident	111 Å²	111	81 Å²	81	78%	0.776	44%	0.443	S	S	*	.			trans	-63.4	113.6	169.1	56.9	0	0	0	0	107.6	N818 D822	N818-S820 VanDerWaalsContact C-N 3.34Å; N818-S820 PolarHBondContact O-N 3.37Å; S820-D822 PolarHBondContact O-N 2.86Å
821	V	59.1	Low	74.3	Confident	47 Å²	47	83.3 Å²	83.3	29%	0.285	46%	0.464	S	S	.	.			trans	-62.1	127.1	173.4	-176.2	0	0	0	0	107.9	G681 A819 D823 L826	G681-V821 VanDerWaalsContact O-CG2 3.24Å; G681-V821 WeakPolarHBondContact O-CG2 3.47Å; A819-V821 PolarHBondContact O-N 3.07Å; A819-V821 VanDerWaalsContact O-N 3.15Å; V821-D823 WeakPolarHBondContact CG1-OD1 3.25Å; V821-D823 PolarHBondContact O-N 2.87Å; V821-L826 HydrophobicContact CG1-CD2 4.19Å
822	D	73.2	Confident	75	Confident	94 Å²	94	85 Å²	85	50%	0.503	48%	0.476	S	S	.	.			trans	-75.6	79	167.7	-170.1	-13.5	0	0	0	108.2	S820 S824 R825 L826	S820-D822 PolarHBondContact O-N 2.86Å; D822-S824 PolarHBondContact O-N 3.2Å; D822-S824 VanDerWaalsContact O-N 3.16Å; D822-S824 WeakPolarHBondContact OD1-CB 3.15Å; D822-S824 PolarHBondContact OD1-N 2.97Å; D822-R825 HydrophobicContact CB-CB 4.15Å; D822-R825 PolarHBondContact O-N 3.46Å; D822-R825 PolarHBondContact OD1-N 2.83Å; D822-L826 PolarHBondContact O-N 3.29Å; D822-L826 VanDerWaalsContact O-N 3.12Å
823	D	78.1	Confident	75.6	Confident	108 Å²	108	78.1 Å²	78.1	58%	0.578	44%	0.444	S	S	*	.	H	α-helix	trans	-56.2	-30.5	-177.7	-73.4	-34.1	0	0	0	111.6	V821 L826 E827	V821-D823 WeakPolarHBondContact CG1-OD1 3.25Å; V821-D823 PolarHBondContact O-N 2.87Å; D823-L826 PolarHBondContact O-N 3.36Å; D823-E827 WeakPolarHBondContact O-CG 3.29Å; D823-E827 PolarHBondContact O-N 3.43Å
824	S	83.7	Confident	76.2	Confident	80 Å²	80	75.1 Å²	75.1	56%	0.559	43%	0.432	S	S	*	.	H	α-helix	trans	-63.1	-47.2	176.7	-170.4	0	0	0	0	111	D822 L826 E827 E828	D822-S824 PolarHBondContact O-N 3.2Å; D822-S824 VanDerWaalsContact O-N 3.16Å; D822-S824 WeakPolarHBondContact OD1-CB 3.15Å; D822-S824 PolarHBondContact OD1-N 2.97Å; S824-L826 VanDerWaalsContact C-N 3.28Å; S824-L826 PolarHBondContact O-N 3.24Å; S824-E827 PolarHBondContact O-N 2.83Å; S824-E828 PolarHBondContact O-N 3.28Å; S824-E828 VanDerWaalsContact O-N 3.17Å
825	R	84.6	Confident	77.2	Confident	95 Å²	95	74.6 Å²	74.6	36%	0.358	43%	0.433	S	S	.	.	H	α-helix	trans	-64.5	-36.3	177.1	-173.6	59.5	179.1	170.8	0.4	111.8	L685 D822 E828 L829	L685-R825 HydrophobicContact CD1-CB 4.22Å; L685-R825 HydrophobicContact CD1-CG 3.88Å; D822-R825 HydrophobicContact CB-CB 4.15Å; D822-R825 PolarHBondContact O-N 3.46Å; D822-R825 PolarHBondContact OD1-N 2.83Å; R825-E828 IonicContact CZ-OE2 2.91Å; R825-E828 IonicContact NH1-OE2 3.92Å; R825-E828 PolarHBondContact NH1-OE2 3.41Å; R825-E828 PolarHBondContact O-N 3.3Å; R825-L829 HydrophobicContact CG-CD1 4.45Å; R825-L829 WeakPolarHBondContact O-CG 3.45Å; R825-L829 PolarHBondContact O-N 3.44Å
826	L	85.4	Confident	78.3	Confident	8 Å²	8	69.2 Å²	69.2	4%	0.042	41%	0.412	C	S	.	.	H	α-helix	trans	-65.8	-40.4	178.7	-164.3	65.3	0	0	0	112.1	L677 P684 L685 L688 V821 D822 D823 S824 L829 K830	L677-L826 HydrophobicContact CD2-CD1 4.28Å; L677-L826 HydrophobicContact CD2-CD2 3.49Å; L677-L826 VanDerWaalsContact CD2-CD2 3.49Å; L677-L826 HydrophobicContact CD2-CG 3.9Å; P684-L826 HydrophobicContact CB-CD1 4.17Å; P684-L826 HydrophobicContact CB-CD2 4.21Å; L685-L826 HydrophobicContact CB-CD1 4.36Å; L685-L826 HydrophobicContact CD1-CD1 4.15Å; L688-L826 HydrophobicContact CD1-CD1 3.79Å; V821-L826 HydrophobicContact CG1-CD2 4.19Å; D822-L826 PolarHBondContact O-N 3.29Å; D822-L826 VanDerWaalsContact O-N 3.12Å; D823-L826 PolarHBondContact O-N 3.36Å; S824-L826 VanDerWaalsContact C-N 3.28Å; S824-L826 PolarHBondContact O-N 3.24Å; L826-L829 PolarHBondContact O-N 2.94Å; L826-K830 WeakPolarHBondContact O-CG 3.4Å; L826-K830 PolarHBondContact O-N 3.46Å; L826-K830 VanDerWaalsContact O-N 3.14Å
827	E	87	Confident	79.5	Confident	113 Å²	113	71.9 Å²	71.9	53%	0.528	42%	0.419	S	S	.	.	H	α-helix	trans	-64.8	-40.2	173.8	-71.9	-56.9	140.8	0	0	112.5	D823 S824 L829 K830 A831	D823-E827 WeakPolarHBondContact O-CG 3.29Å; D823-E827 PolarHBondContact O-N 3.43Å; S824-E827 PolarHBondContact O-N 2.83Å; E827-L829 VanDerWaalsContact C-N 3.35Å; E827-L829 PolarHBondContact O-N 3.47Å; E827-K830 PolarHBondContact O-N 3.19Å; E827-K830 IonicContact OE1-NZ 3.53Å; E827-K830 PolarHBondContact OE1-NZ 3.06Å; E827-K830 IonicContact OE2-NZ 3.92Å; E827-A831 PolarHBondContact O-N 2.99Å
828	E	89.3	Confident	80.9	Confident	94 Å²	94	77.6 Å²	77.6	44%	0.439	44%	0.437	S	S	.	.	H	α-helix	trans	-61.1	-42.3	173.8	-71.8	178	-178.1	0	0	112.3	S824 R825 A831 T832	S824-E828 PolarHBondContact O-N 3.28Å; S824-E828 VanDerWaalsContact O-N 3.17Å; R825-E828 IonicContact CZ-OE2 2.91Å; R825-E828 IonicContact NH1-OE2 3.92Å; R825-E828 PolarHBondContact NH1-OE2 3.41Å; R825-E828 PolarHBondContact O-N 3.3Å; E828-A831 PolarHBondContact O-N 2.91Å; E828-T832 WeakPolarHBondContact O-CB 3.37Å; E828-T832 WeakPolarHBondContact O-CG2 3.47Å; E828-T832 PolarHBondContact O-N 3.26Å; E828-T832 PolarHBondContact O-OG1 2.71Å
829	L	87.7	Confident	82.7	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	40%	0.402	C	S	.	.	H	α-helix	trans	-62.6	-44.1	178.3	-74.1	169.5	0	0	0	111.4	L685 L688 E689 Q692 R825 L826 E827 A831 T832 L833	L685-L829 HydrophobicContact CD1-CD1 3.52Å; L688-L829 HydrophobicContact CB-CB 4.49Å; L688-L829 HydrophobicContact CB-CD1 4.4Å; E689-L829 HydrophobicContact CG-CD1 3.57Å; E689-L829 HydrophobicContact CG-CD2 4.23Å; Q692-L829 HydrophobicContact CB-CD2 4.34Å; Q692-L829 HydrophobicContact CG-CD2 4.47Å; R825-L829 HydrophobicContact CG-CD1 4.45Å; R825-L829 WeakPolarHBondContact O-CG 3.45Å; R825-L829 PolarHBondContact O-N 3.44Å; L826-L829 PolarHBondContact O-N 2.94Å; E827-L829 VanDerWaalsContact C-N 3.35Å; E827-L829 PolarHBondContact O-N 3.47Å; L829-A831 VanDerWaalsContact C-N 3.26Å; L829-A831 PolarHBondContact O-N 3.42Å; L829-T832 WeakPolarHBondContact CA-OG1 3.42Å; L829-T832 PolarHBondContact O-N 2.91Å; L829-T832 PolarHBondContact O-OG1 2.95Å; L829-L833 VanDerWaalsContact O-CG 3.3Å; L829-L833 WeakPolarHBondContact O-CG 3.3Å; L829-L833 PolarHBondContact O-N 2.77Å
830	K	86.7	Confident	84.2	Confident	64 Å²	64	74 Å²	74	28%	0.278	42%	0.416	S	S	.	.	H	α-helix	trans	-56.8	-41.7	176.2	-68.2	171.3	-161.2	178.3	0	112.2	V673 L677 L688 L826 E827	V673-K830 HydrophobicContact CG1-CG 4.47Å; L677-K830 HydrophobicContact CD1-CD 4.31Å; L677-K830 VanDerWaalsContact CD1-CE 3.42Å; L688-K830 HydrophobicContact CD1-CG 4.26Å; L826-K830 WeakPolarHBondContact O-CG 3.4Å; L826-K830 PolarHBondContact O-N 3.46Å; L826-K830 VanDerWaalsContact O-N 3.14Å; E827-K830 PolarHBondContact O-N 3.19Å; E827-K830 IonicContact OE1-NZ 3.53Å; E827-K830 PolarHBondContact OE1-NZ 3.06Å; E827-K830 IonicContact OE2-NZ 3.92Å
831	A	87.7	Confident	85.8	Confident	87 Å²	87	72.7 Å²	72.7	72%	0.719	42%	0.42	S	S	*	.	H	α-helix	trans	-74.4	-28.2	-178.4	0	0	0	0	0	113.4	E827 E828 L829	E827-A831 PolarHBondContact O-N 2.99Å; E828-A831 PolarHBondContact O-N 2.91Å; L829-A831 VanDerWaalsContact C-N 3.26Å; L829-A831 PolarHBondContact O-N 3.42Å
832	T	89	Confident	87.5	Confident	80 Å²	80	72.2 Å²	72.2	49%	0.491	41%	0.414	S	S	.	.	H	α-helix	trans	-93.4	-15.6	-175.6	53.8	0	0	0	0	114.1	Q692 E828 L829	Q692-T832 PolarHBondContact NE2-OG1 3.35Å; E828-T832 WeakPolarHBondContact O-CB 3.37Å; E828-T832 WeakPolarHBondContact O-CG2 3.47Å; E828-T832 PolarHBondContact O-N 3.26Å; E828-T832 PolarHBondContact O-OG1 2.71Å; L829-T832 WeakPolarHBondContact CA-OG1 3.42Å; L829-T832 PolarHBondContact O-N 2.91Å; L829-T832 PolarHBondContact O-OG1 2.95Å
833	L	90.7	Very high	88.5	Confident	15 Å²	15	73.3 Å²	73.3	8%	0.079	42%	0.415	C	S	.	.	S	Bend	trans	-63.3	133.2	174.5	-78.4	172.2	0	0	0	111	Y666 L688 V691 Q692 L829 S835	Y666-L833 HydrophobicContact CE2-CD1 4.41Å; L688-L833 HydrophobicContact CD2-CD1 3.95Å; V691-L833 HydrophobicContact CB-CD2 4.27Å; V691-L833 HydrophobicContact CG1-CD2 3.82Å; Q692-L833 HydrophobicContact CB-CD2 3.78Å; Q692-L833 HydrophobicContact CG-CD2 4.38Å; L829-L833 VanDerWaalsContact O-CG 3.3Å; L829-L833 WeakPolarHBondContact O-CG 3.3Å; L829-L833 PolarHBondContact O-N 2.77Å; L833-S835 PolarHBondContact O-N 3.32Å
834	P	90.8	Very high	89.4	Confident	22 Å²	22	68.3 Å²	68.3	14%	0.143	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-67	130.2	177.3	27.4	-32.9	0	0	0	109.8	Y666 L695 V696 L839	Y666-P834 WeakPolarHBondContact CE1-O 3.36Å; Y666-P834 PolarHBondContact OH-O 2.95Å; L695-P834 HydrophobicContact CB-CG 3.97Å; L695-P834 HydrophobicContact CD1-CG 3.89Å; V696-P834 HydrophobicContact CG2-CG 3.9Å; P834-L839 HydrophobicContact CB-CD1 4.09Å; P834-L839 HydrophobicContact CG-CD1 3.78Å
835	S	90.8	Very high	90.1	Very high	46 Å²	46	70.5 Å²	70.5	32%	0.322	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-53.7	137.4	172.5	177.3	0	0	0	0	110.2	L833 D837 K838	L833-S835 PolarHBondContact O-N 3.32Å; S835-D837 PolarHBondContact O-N 3.22Å; S835-D837 PolarHBondContact OG-N 2.9Å; S835-D837 PolarHBondContact OG-OD2 3.49Å; S835-K838 WeakPolarHBondContact O-CB 3.41Å; S835-K838 PolarHBondContact O-N 3.2Å
836	P	90.8	Very high	90.7	Very high	46 Å²	46	68.1 Å²	68.1	30%	0.299	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-49.9	-32.1	174.4	-28.9	36.6	0	0	0	113.5	Y666 L667 K838 L839	Y666-P836 HydrophobicContact CE1-CG 4.03Å; L667-P836 HydrophobicContact CD2-CB 4.11Å; L667-P836 HydrophobicContact CD2-CG 4.49Å; P836-K838 PolarHBondContact O-N 3.28Å; P836-K838 VanDerWaalsContact O-N 3.16Å; P836-L839 CarbonylContact O-C 3.58Å; P836-L839 PolarHBondContact O-N 2.96Å
837	D	89.3	Confident	91.3	Very high	143 Å²	143	68.3 Å²	68.3	77%	0.765	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-62	-22.1	176.8	-60.4	-40	0	0	0	113.9	S835 L839	S835-D837 PolarHBondContact O-N 3.22Å; S835-D837 PolarHBondContact OG-N 2.9Å; S835-D837 PolarHBondContact OG-OD2 3.49Å; D837-L839 VanDerWaalsContact C-N 3.32Å
838	K	91.3	Very high	91.6	Very high	161 Å²	161	68.2 Å²	68.2	70%	0.7	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-82.5	-10.7	175.8	-65.8	-176.4	177.4	178.6	0	112.9	S835 P836 P840	S835-K838 WeakPolarHBondContact O-CB 3.41Å; S835-K838 PolarHBondContact O-N 3.2Å; P836-K838 PolarHBondContact O-N 3.28Å; P836-K838 VanDerWaalsContact O-N 3.16Å; K838-P840 WeakPolarHBondContact O-CD 3.49Å
839	L	90.4	Very high	91.9	Very high	27 Å²	27	65.3 Å²	65.3	14%	0.141	37%	0.372	C	S	.	.	S	Bend	trans	-125.1	46.5	-174.3	-64.3	170.3	0	0	0	112	L667 L695 P834 P836 D837 G841 F842	L667-L839 HydrophobicContact CD2-CB 4.32Å; L667-L839 HydrophobicContact CD2-CD1 4.3Å; L695-L839 HydrophobicContact CD1-CD1 4.06Å; L695-L839 HydrophobicContact CD2-CD1 3.88Å; L695-L839 HydrophobicContact CG-CD1 4.41Å; P834-L839 HydrophobicContact CB-CD1 4.09Å; P834-L839 HydrophobicContact CG-CD1 3.78Å; P836-L839 CarbonylContact O-C 3.58Å; P836-L839 PolarHBondContact O-N 2.96Å; D837-L839 VanDerWaalsContact C-N 3.32Å; L839-G841 PolarHBondContact O-N 3.09Å; L839-F842 HydrophobicContact CB-CB 4.22Å; L839-F842 PolarHBondContact O-N 3.27Å
840	P	87.9	Confident	92.1	Very high	112 Å²	112	68.6 Å²	68.6	73%	0.727	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	127.9	-175.5	28.8	-35.1	0	0	0	110.6	K838 F842	K838-P840 WeakPolarHBondContact O-CD 3.49Å; P840-F842 PolarHBondContact O-N 3.48Å
841	G	89	Confident	92.2	Very high	84 Å²	84	67.5 Å²	67.5	87%	0.866	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	-5.6	178.4	0	0	0	0	0	115.5	L839 K843	L839-G841 PolarHBondContact O-N 3.09Å; G841-K843 PolarHBondContact O-N 3.3Å
842	F	93.8	Very high	92.1	Very high	37 Å²	37	65.1 Å²	65.1	16%	0.162	36%	0.357	C	S	.	.			trans	-68.3	134.2	170.9	179.1	-103.6	0	0	0	109.7	V663 L667 L695 Y776 L839 P840 M844	V663-F842 HydrophobicContact CG1-CE1 4.18Å; L667-F842 HydrophobicContact CD1-CD1 3.91Å; L667-F842 WeakPolarHBondContact CD1-O 3.33Å; L695-F842 HydrophobicContact CD2-CD1 3.96Å; L695-F842 HydrophobicContact CD2-CE1 3.56Å; Y776-F842 HydrophobicContact CD1-CE2 4.25Å; Y776-F842 AromaticContact CD1-CZ 3.89Å; Y776-F842 HydrophobicContact CD1-CZ 3.89Å; Y776-F842 HydrophobicContact CE1-CZ 4.05Å; L839-F842 HydrophobicContact CB-CB 4.22Å; L839-F842 PolarHBondContact O-N 3.27Å; P840-F842 PolarHBondContact O-N 3.48Å; F842-M844 HydrophobicContact CE1-CG 3.88Å; F842-M844 HydrophobicContact CE1-SD 4.35Å; F842-M844 HydrophobicContact CZ-CG 3.73Å; F842-M844 HydrophobicContact CZ-SD 4.36Å
843	K	94.4	Very high	92	Very high	118 Å²	118	64.2 Å²	64.2	51%	0.513	35%	0.35	S	S	.	.			trans	-147.6	144.7	177.2	-166.2	-178.2	177.3	-177.8	0	108.4	N664 G841	N664-K843 WeakPolarHBondContact OD1-CG 3.23Å; G841-K843 PolarHBondContact O-N 3.3Å
844	M	97.5	Very high	91.9	Very high	2 Å²	2	67 Å²	67	1%	0.01	36%	0.364	C	S	.	.			trans	-100.1	155.4	169.6	-68.2	175.8	65.9	0	0	109.9	A660 V663 N664 T775 Y776 F842 P846	A660-M844 HydrophobicContact CB-CB 3.76Å; A660-M844 HydrophobicContact CB-CE 4.14Å; V663-M844 HydrophobicContact CB-SD 3.73Å; V663-M844 HydrophobicContact CG1-CG 4.12Å; V663-M844 HydrophobicContact CG1-SD 3.69Å; V663-M844 HydrophobicContact CG2-SD 3.6Å; N664-M844 PolarHBondContact ND2-O 3.08Å; N664-M844 PolarHBondContact OD1-N 3.02Å; N664-M844 VanDerWaalsContact OD1-N 3.08Å; N664-M844 PolarHBondContact OD1-O 3.41Å; T775-M844 HydrophobicContact CG2-CE 3.53Å; T775-M844 CarbonylContact O-C 3.29Å; T775-M844 WeakPolarHBondContact O-CA 3.22Å; T775-M844 WeakPolarHBondContact O-CB 3.32Å; Y776-M844 HydrophobicContact CD1-CE 4.5Å; Y776-M844 HydrophobicContact CD1-CG 4.35Å; Y776-M844 HydrophobicContact CD2-CE 4.38Å; Y776-M844 HydrophobicContact CE1-CE 3.9Å; Y776-M844 HydrophobicContact CE1-CG 4.3Å; Y776-M844 HydrophobicContact CE1-SD 3.95Å; Y776-M844 HydrophobicContact CE2-CE 3.77Å; F842-M844 HydrophobicContact CE1-CG 3.88Å; F842-M844 HydrophobicContact CE1-SD 4.35Å; F842-M844 HydrophobicContact CZ-CG 3.73Å; F842-M844 HydrophobicContact CZ-SD 4.36Å; M844-P846 WeakPolarHBondContact O-CD 3.25Å
845	Y	97.7	Very high	91.9	Very high	127 Å²	127	68.9 Å²	68.9	50%	0.498	38%	0.378	S	S	.	.			trans	-110.2	98.3	-177.8	-56.4	-81.8	0	0	0	108.4	T775 I847	T775-Y845 WeakPolarHBondContact CA-O 3.29Å; T775-Y845 PolarHBondContact O-N 3.27Å; Y845-I847 PolarHBondContact O-N 3Å
846	P	97.6	Very high	92.1	Very high	45 Å²	45	67.5 Å²	67.5	29%	0.292	37%	0.367	S	S	.	.			trans	-60.5	138.8	176.4	26.3	-33.4	0	0	0	109.6	K657 A660 E661 M844	K657-P846 HydrophobicContact CG-CB 4.13Å; A660-P846 HydrophobicContact CB-CB 3.89Å; E661-P846 HydrophobicContact CG-CB 3.86Å; E661-P846 HydrophobicContact CG-CG 4.21Å; M844-P846 WeakPolarHBondContact O-CD 3.25Å
847	I	98	Very high	92.4	Very high	12 Å²	12	66 Å²	66	6%	0.062	36%	0.356	C	S	.	.			trans	-97.3	109.8	-179.3	-56.4	-173.9	0	0	0	109.3	F652 F656 L771 Q774 Y845 H858	F652-I847 HydrophobicContact CE1-CG2 4.46Å; F652-I847 HydrophobicContact CZ-CB 4.47Å; F652-I847 HydrophobicContact CZ-CG2 3.77Å; F656-I847 HydrophobicContact CB-CB 4.23Å; F656-I847 HydrophobicContact CB-CD1 4.1Å; F656-I847 HydrophobicContact CB-CG1 4.3Å; F656-I847 PolarHBondContact O-N 2.74Å; L771-I847 HydrophobicContact CB-CD1 4.11Å; L771-I847 HydrophobicContact CD2-CD1 3.87Å; L771-I847 WeakPolarHBondContact O-CD1 3.49Å; Q774-I847 HydrophobicContact CB-CD1 3.84Å; Y845-I847 PolarHBondContact O-N 3Å; I847-H858 WeakPolarHBondContact CG2-NE2 3.19Å
848	D	94.2	Very high	92.8	Very high	111 Å²	111	59.7 Å²	59.7	59%	0.594	32%	0.322	S	S	*	.			trans	-74.7	128.7	170.4	-71.6	-45.2	0	0	0	110.1	K657 E850 H858	K657-D848 IonicContact NZ-OD1 3.69Å; K657-D848 PolarHBondContact NZ-OD1 2.78Å; D848-E850 PolarHBondContact O-N 3.42Å; D848-E850 VanDerWaalsContact O-N 3.16Å; D848-H858 PolarHBondContact O-CE1 2.82Å
849	F	95	Very high	93.1	Very high	33 Å²	33	52 Å²	52	15%	0.145	29%	0.289	C	S	.	.			trans	-67.3	116.2	-178.7	175.4	-97.4	0	0	0	111.8	R649 F652 K851 H858 M859 I862	R649-F849 VanDerWaalsContact NH2-CD1 3.27Å; R649-F849 VanDerWaalsContact NH2-CG 3.3Å; F652-F849 HydrophobicContact CD1-CB 4.31Å; F652-F849 HydrophobicContact CD1-CD2 4.16Å; F652-F849 HydrophobicContact CE1-CB 3.77Å; F652-F849 AromaticContact CE1-CD2 3.96Å; F652-F849 HydrophobicContact CE1-CD2 3.96Å; F652-F849 HydrophobicContact CE1-CG 4.37Å; F652-F849 HydrophobicContact CZ-CD2 4.24Å; F849-K851 HydrophobicContact CE1-CB 3.62Å; F849-K851 HydrophobicContact CE1-CD 4.36Å; F849-K851 HydrophobicContact CZ-CB 3.73Å; F849-H858 HydrophobicContact CD2-CB 4.02Å; F849-H858 HydrophobicContact CE2-CB 4.02Å; F849-M859 HydrophobicContact CE2-SD 4.17Å; F849-M859 HydrophobicContact CZ-SD 3.86Å; F849-I862 HydrophobicContact CD2-CD1 4.07Å; F849-I862 HydrophobicContact CE2-CD1 3.38Å; F849-I862 HydrophobicContact CZ-CD1 4.03Å
850	E	91	Very high	93.4	Very high	69 Å²	69	51.8 Å²	51.8	32%	0.322	29%	0.287	S	S	.	.			trans	-113.5	120.3	168.2	-178.3	51.9	-98	0	0	110.7	D848 D852 D853 N856 H858	D848-E850 PolarHBondContact O-N 3.42Å; D848-E850 VanDerWaalsContact O-N 3.16Å; E850-D852 PolarHBondContact OE1-N 3.21Å; E850-D853 HydrophobicContact CG-CB 3.95Å; E850-N856 PolarHBondContact O-ND2 3.21Å; E850-N856 VanDerWaalsContact O-ND2 3.1Å; E850-H858 PolarHBondContact N-CE1 2.99Å; E850-H858 PolarHBondContact N-ND1 2.73Å; E850-H858 PolarHBondContact O-ND1 2.83Å
851	K	90.3	Very high	93.9	Very high	40 Å²	40	46.4 Å²	46.4	17%	0.174	25%	0.253	C	S	.	.	S	Bend	trans	-88.3	-27.8	-178.1	66.9	-144.7	171.8	-47.6	0	112.9	R57 F849 D853 K884 I890	R57-K851 VanDerWaalsContact NH2-CE 3.33Å; F849-K851 HydrophobicContact CE1-CB 3.62Å; F849-K851 HydrophobicContact CE1-CD 4.36Å; F849-K851 HydrophobicContact CZ-CB 3.73Å; K851-D853 VanDerWaalsContact C-N 3.33Å; K851-K884 WeakPolarHBondContact O-CE 3.18Å; K851-K884 PolarHBondContact O-NZ 2.85Å; K851-I890 HydrophobicContact CD-CD1 4.49Å; K851-I890 HydrophobicContact CD-CG1 4.2Å
852	D	84.9	Confident	94.3	Very high	38 Å²	38	42.4 Å²	42.4	20%	0.203	21%	0.212	C	C	.	.	S	Bend	trans	-91.8	2.9	-168.7	-69.7	-51	0	0	0	113.2	R57 E850 K884	R57-D852 IonicContact NH2-OD1 2.8Å; R57-D852 IonicContact NH2-OD2 3.94Å; R57-D852 PolarHBondContact NH2-OD2 2.98Å; E850-D852 PolarHBondContact OE1-N 3.21Å; D852-K884 WeakPolarHBondContact OD1-CE 3.27Å; D852-K884 IonicContact OD1-NZ 3.92Å; D852-K884 PolarHBondContact OD1-NZ 3.36Å
853	D	87.5	Confident	94.5	Very high	61 Å²	61	41.7 Å²	41.7	33%	0.326	21%	0.21	S	C	.	.			trans	-111	112.4	171.6	172	19.7	0	0	0	110.7	E850 K851 S855 N856	E850-D853 HydrophobicContact CG-CB 3.95Å; K851-D853 VanDerWaalsContact C-N 3.33Å; D853-S855 PolarHBondContact O-N 3.03Å; D853-S855 WeakPolarHBondContact OD1-CA 3.4Å; D853-S855 VanDerWaalsContact OD1-CB 3.26Å; D853-S855 WeakPolarHBondContact OD1-CB 3.39Å; D853-S855 PolarHBondContact OD1-N 3.47Å; D853-S855 PolarHBondContact OD1-OG 2.96Å; D853-S855 PolarHBondContact OD2-OG 2.82Å; D853-N856 WeakPolarHBondContact CB-ND2 3.09Å; D853-N856 VanDerWaalsContact O-CG 3.24Å; D853-N856 PolarHBondContact O-ND2 3.46Å; D853-N856 PolarHBondContact O-OD1 3.03Å; D853-N856 WeakPolarHBondContact OD2-CB 3.33Å; D853-N856 PolarHBondContact OD2-ND2 2.89Å
854	D	88	Confident	94.7	Very high	72 Å²	72	36.2 Å²	36.2	39%	0.385	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	4.7	178.8	-65.9	-46.7	0	0	0	113.1	N39 R880	N39-D854 PolarHBondContact ND2-O 3.26Å; D854-R880 IonicContact OD1-CZ 2.91Å; D854-R880 IonicContact OD1-NE 3.84Å; D854-R880 PolarHBondContact OD1-NE 3.16Å; D854-R880 IonicContact OD1-NH2 3.18Å; D854-R880 PolarHBondContact OD1-NH2 2.74Å
855	S	90.7	Very high	94.8	Very high	63 Å²	63	36.1 Å²	36.1	44%	0.441	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-18.2	-179.3	78.2	0	0	0	0	115.7	N39 D853	N39-S855 VanDerWaalsContact ND2-CA 3.34Å; N39-S855 WeakPolarHBondContact ND2-CA 3.13Å; D853-S855 PolarHBondContact O-N 3.03Å; D853-S855 WeakPolarHBondContact OD1-CA 3.4Å; D853-S855 VanDerWaalsContact OD1-CB 3.26Å; D853-S855 WeakPolarHBondContact OD1-CB 3.39Å; D853-S855 PolarHBondContact OD1-N 3.47Å; D853-S855 PolarHBondContact OD1-OG 2.96Å; D853-S855 PolarHBondContact OD2-OG 2.82Å
856	N	94.6	Very high	94.8	Very high	16 Å²	16	30 Å²	30	9%	0.086	16%	0.162	C	C	.	.	S	Bend	trans	-86.7	-1.5	-172.7	62.1	24	0	0	0	115.4	L771 E850 D853 H858	L771-N856 WeakPolarHBondContact CD2-O 3.26Å; E850-N856 PolarHBondContact O-ND2 3.21Å; E850-N856 VanDerWaalsContact O-ND2 3.1Å; D853-N856 WeakPolarHBondContact CB-ND2 3.09Å; D853-N856 VanDerWaalsContact O-CG 3.24Å; D853-N856 PolarHBondContact O-ND2 3.46Å; D853-N856 PolarHBondContact O-OD1 3.03Å; D853-N856 WeakPolarHBondContact OD2-CB 3.33Å; D853-N856 PolarHBondContact OD2-ND2 2.89Å; N856-H858 VanDerWaalsContact CG-ND1 3.29Å; N856-H858 PolarHBondContact ND2-CE1 2.97Å; N856-H858 VanDerWaalsContact ND2-CE1 3.33Å; N856-H858 PolarHBondContact ND2-ND1 3.28Å; N856-H858 PolarHBondContact O-CD2 3.22Å; N856-H858 PolarHBondContact O-N 3.25Å; N856-H858 VanDerWaalsContact OD1-CB 3.29Å; N856-H858 WeakPolarHBondContact OD1-CB 3.44Å; N856-H858 PolarHBondContact OD1-N 2.87Å; N856-H858 PolarHBondContact OD1-ND1 3.34Å
857	F	97.2	Very high	94.9	Very high	16 Å²	16	28.7 Å²	28.7	7%	0.07	15%	0.153	C	C	.	.	S	Bend	trans	66.9	5.9	-176.3	-49.9	-83.2	0	0	0	116.5	A767 N770 L771 Q782 D860 F861	A767-F857 HydrophobicContact CB-CB 4.22Å; N770-F857 HydrophobicContact CB-CD2 3.85Å; N770-F857 HydrophobicContact CB-CE2 3.95Å; N770-F857 HydrophobicContact CB-CG 4.22Å; N770-F857 HydrophobicContact CB-CZ 4.38Å; L771-F857 HydrophobicContact CD2-CB 4.33Å; L771-F857 HydrophobicContact CG-CB 4.34Å; Q782-F857 HydrophobicContact CG-CE1 4.48Å; Q782-F857 HydrophobicContact CG-CZ 3.89Å; F857-D860 WeakPolarHBondContact CA-OD2 3.16Å; F857-D860 PolarHBondContact O-N 2.74Å; F857-F861 WeakPolarHBondContact O-CB 3.38Å; F857-F861 PolarHBondContact O-N 2.96Å
858	H	97.9	Very high	94.9	Very high	9 Å²	9	28.1 Å²	28.1	4%	0.042	15%	0.15	C	C	.	.	H	α-helix	trans	-65.3	-55.8	-177.3	-60.7	168.4	0	0	0	111.7	F652 I847 D848 F849 E850 N856 D860 F861 I862	F652-H858 HydrophobicContact CE2-CB 3.97Å; F652-H858 AromaticContact CE2-CD2 3.67Å; F652-H858 AromaticContact CE2-CG 3.89Å; F652-H858 HydrophobicContact CZ-CB 4.17Å; F652-H858 AromaticContact CZ-CD2 3.55Å; F652-H858 AromaticContact CZ-CG 3.72Å; F652-H858 AromaticContact CZ-NE2 3.99Å; I847-H858 WeakPolarHBondContact CG2-NE2 3.19Å; D848-H858 PolarHBondContact O-CE1 2.82Å; F849-H858 HydrophobicContact CD2-CB 4.02Å; F849-H858 HydrophobicContact CE2-CB 4.02Å; E850-H858 PolarHBondContact N-CE1 2.99Å; E850-H858 PolarHBondContact N-ND1 2.73Å; E850-H858 PolarHBondContact O-ND1 2.83Å; N856-H858 VanDerWaalsContact CG-ND1 3.29Å; N856-H858 PolarHBondContact ND2-CE1 2.97Å; N856-H858 VanDerWaalsContact ND2-CE1 3.33Å; N856-H858 PolarHBondContact ND2-ND1 3.28Å; N856-H858 PolarHBondContact O-CD2 3.22Å; N856-H858 PolarHBondContact O-N 3.25Å; N856-H858 VanDerWaalsContact OD1-CB 3.29Å; N856-H858 WeakPolarHBondContact OD1-CB 3.44Å; N856-H858 PolarHBondContact OD1-N 2.87Å; N856-H858 PolarHBondContact OD1-ND1 3.34Å; H858-D860 VanDerWaalsContact C-N 3.29Å; H858-D860 PolarHBondContact O-N 2.63Å; H858-F861 PolarHBondContact O-N 3.24Å; H858-I862 PolarHBondContact O-N 3.14Å; H858-I862 VanDerWaalsContact O-N 3.1Å
859	M	96.4	Very high	95.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-68.4	-30.6	177.8	-75.6	-54.7	-43.3	0	0	112.1	F849 F861 I862 V863 K884	F849-M859 HydrophobicContact CE2-SD 4.17Å; F849-M859 HydrophobicContact CZ-SD 3.86Å; M859-F861 VanDerWaalsContact C-N 3.35Å; M859-I862 HydrophobicContact CE-CB 4.46Å; M859-I862 HydrophobicContact CE-CG2 4.4Å; M859-I862 PolarHBondContact O-N 2.93Å; M859-V863 HydrophobicContact CE-CG2 4.11Å; M859-V863 WeakPolarHBondContact O-CB 3.39Å; M859-V863 WeakPolarHBondContact O-CG2 3.27Å; M859-V863 PolarHBondContact O-N 2.79Å; M859-K884 VanDerWaalsContact CE-CA 3.41Å; M859-K884 HydrophobicContact CE-CB 3.74Å; M859-K884 HydrophobicContact CE-CG 4.43Å; M859-K884 HydrophobicContact CG-CD 4.39Å; M859-K884 HydrophobicContact CG-CG 4.33Å; M859-K884 HydrophobicContact SD-CB 4.13Å; M859-K884 HydrophobicContact SD-CG 4.16Å
860	D	97.1	Very high	95.2	Very high	22 Å²	22	21.7 Å²	21.7	12%	0.118	12%	0.116	C	C	.	.	H	α-helix	trans	-60.7	-45.1	174.4	-61.1	-66.4	0	0	0	111.1	A767 F857 H858 A864 R880	A767-D860 HydrophobicContact CB-CB 4.05Å; F857-D860 WeakPolarHBondContact CA-OD2 3.16Å; F857-D860 PolarHBondContact O-N 2.74Å; H858-D860 VanDerWaalsContact C-N 3.29Å; H858-D860 PolarHBondContact O-N 2.63Å; D860-A864 WeakPolarHBondContact O-CB 3.37Å; D860-A864 PolarHBondContact O-N 3.34Å; D860-A864 VanDerWaalsContact O-N 3.12Å; D860-R880 VanDerWaalsContact CG-NH2 3.28Å; D860-R880 IonicContact OD1-CZ 3.38Å; D860-R880 VanDerWaalsContact OD1-CZ 3.24Å; D860-R880 IonicContact OD1-NH1 3.62Å; D860-R880 PolarHBondContact OD1-NH1 3.43Å; D860-R880 IonicContact OD1-NH2 2.94Å; D860-R880 PolarHBondContact OD1-NH2 3.32Å; D860-R880 VanDerWaalsContact OD1-NH2 3.15Å; D860-R880 IonicContact OD2-CZ 2.73Å; D860-R880 IonicContact OD2-NH1 3.54Å; D860-R880 IonicContact OD2-NH2 3.21Å; D860-R880 PolarHBondContact OD2-NH2 3.46Å
861	F	98.6	Very high	95.6	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-62.3	-51.6	174.7	174.7	-94.8	0	0	0	111.9	E651 F652 L655 F656 Y764 A767 A768 L771 F857 H858 M859 V863 A864 A865	E651-F861 HydrophobicContact CB-CE1 4.4Å; E651-F861 HydrophobicContact CB-CZ 4.47Å; F652-F861 HydrophobicContact CB-CD1 3.93Å; F652-F861 HydrophobicContact CB-CE1 3.83Å; F652-F861 AromaticContact CD2-CD1 3.78Å; F652-F861 HydrophobicContact CD2-CD1 3.78Å; F652-F861 HydrophobicContact CD2-CE1 4.39Å; F652-F861 HydrophobicContact CD2-CG 4.42Å; F652-F861 HydrophobicContact CG-CD1 4.36Å; L655-F861 HydrophobicContact CD1-CZ 3.96Å; F656-F861 HydrophobicContact CE2-CD1 4.05Å; F656-F861 AromaticContact CE2-CD2 3.94Å; F656-F861 HydrophobicContact CE2-CD2 3.94Å; F656-F861 AromaticContact CE2-CE1 3.92Å; F656-F861 HydrophobicContact CE2-CE1 3.92Å; F656-F861 AromaticContact CE2-CE2 3.79Å; F656-F861 HydrophobicContact CE2-CE2 3.79Å; F656-F861 HydrophobicContact CE2-CG 4.06Å; F656-F861 AromaticContact CE2-CZ 3.78Å; F656-F861 HydrophobicContact CE2-CZ 3.78Å; F656-F861 HydrophobicContact CZ-CD2 4.08Å; F656-F861 AromaticContact CZ-CE2 3.82Å; F656-F861 HydrophobicContact CZ-CE2 3.82Å; F656-F861 HydrophobicContact CZ-CZ 4.16Å; Y764-F861 HydrophobicContact CD2-CE2 4.36Å; Y764-F861 HydrophobicContact CE2-CD2 4.26Å; Y764-F861 AromaticContact CE2-CE2 3.64Å; Y764-F861 HydrophobicContact CE2-CE2 3.64Å; Y764-F861 HydrophobicContact CE2-CZ 4.26Å; A767-F861 HydrophobicContact CB-CB 3.8Å; A768-F861 HydrophobicContact CB-CD2 4.01Å; A768-F861 HydrophobicContact CB-CE2 4.01Å; L771-F861 HydrophobicContact CD1-CB 3.58Å; L771-F861 HydrophobicContact CD1-CD2 4.26Å; L771-F861 HydrophobicContact CD1-CG 3.91Å; F857-F861 WeakPolarHBondContact O-CB 3.38Å; F857-F861 PolarHBondContact O-N 2.96Å; H858-F861 PolarHBondContact O-N 3.24Å; M859-F861 VanDerWaalsContact C-N 3.35Å; F861-V863 VanDerWaalsContact C-N 3.35Å; F861-V863 PolarHBondContact O-N 3.08Å; F861-A864 PolarHBondContact O-N 3.24Å; F861-A865 HydrophobicContact CE1-CB 4.25Å; F861-A865 HydrophobicContact CZ-CB 4.26Å; F861-A865 WeakPolarHBondContact O-CB 3.33Å; F861-A865 PolarHBondContact O-N 2.9Å
862	I	98.3	Very high	96	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-61.6	-43.9	-175.6	-69.7	-178.1	0	0	0	111.4	L645 A648 R649 F652 F849 H858 M859 S866 A887	L645-I862 HydrophobicContact CD2-CG2 4.09Å; A648-I862 HydrophobicContact CB-CG2 4.12Å; R649-I862 HydrophobicContact CB-CD1 4.4Å; F652-I862 HydrophobicContact CB-CG1 4.29Å; F849-I862 HydrophobicContact CD2-CD1 4.07Å; F849-I862 HydrophobicContact CE2-CD1 3.38Å; F849-I862 HydrophobicContact CZ-CD1 4.03Å; H858-I862 PolarHBondContact O-N 3.14Å; H858-I862 VanDerWaalsContact O-N 3.1Å; M859-I862 HydrophobicContact CE-CB 4.46Å; M859-I862 HydrophobicContact CE-CG2 4.4Å; M859-I862 PolarHBondContact O-N 2.93Å; I862-S866 WeakPolarHBondContact O-CB 3.34Å; I862-S866 PolarHBondContact O-N 3.28Å; I862-A887 HydrophobicContact CD1-CB 4.11Å; I862-A887 HydrophobicContact CG2-CB 3.68Å
863	V	98.1	Very high	96.5	Very high	22 Å²	22	18.4 Å²	18.4	13%	0.133	10%	0.1	C	C	.	.	H	α-helix	trans	-61.5	-50.6	178.1	171.9	0	0	0	0	110.3	M859 F861 S866 N867 R880	M859-V863 HydrophobicContact CE-CG2 4.11Å; M859-V863 WeakPolarHBondContact O-CB 3.39Å; M859-V863 WeakPolarHBondContact O-CG2 3.27Å; M859-V863 PolarHBondContact O-N 2.79Å; F861-V863 VanDerWaalsContact C-N 3.35Å; F861-V863 PolarHBondContact O-N 3.08Å; V863-S866 PolarHBondContact O-N 3.48Å; V863-N867 VanDerWaalsContact O-CB 3.3Å; V863-N867 WeakPolarHBondContact O-CB 3.36Å; V863-N867 PolarHBondContact O-N 2.86Å; V863-N867 PolarHBondContact O-ND2 3.39Å; V863-R880 HydrophobicContact CG2-CB 4.13Å; V863-R880 HydrophobicContact CG2-CG 4.16Å
864	A	98.4	Very high	96.9	Very high	2 Å²	2	19.9 Å²	19.9	2%	0.017	11%	0.108	C	C	.	.	H	α-helix	trans	-64.3	-44.3	-178.2	0	0	0	0	0	111.6	L760 D763 Y764 D860 F861 N867 L868	L760-A864 HydrophobicContact CD1-CB 4.16Å; D763-A864 HydrophobicContact CB-CB 4.13Å; Y764-A864 HydrophobicContact CD2-CB 4.46Å; D860-A864 WeakPolarHBondContact O-CB 3.37Å; D860-A864 PolarHBondContact O-N 3.34Å; D860-A864 VanDerWaalsContact O-N 3.12Å; F861-A864 PolarHBondContact O-N 3.24Å; A864-N867 PolarHBondContact O-N 3.32Å; A864-L868 WeakPolarHBondContact O-CB 3.31Å; A864-L868 WeakPolarHBondContact O-CD1 3.38Å; A864-L868 VanDerWaalsContact O-CG 3.24Å; A864-L868 WeakPolarHBondContact O-CG 3.24Å; A864-L868 PolarHBondContact O-N 3.17Å
865	A	98.7	Very high	97.2	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-63.7	-45.5	179.4	0	0	0	0	0	112.4	W647 A648 Y718 Y764 F861 R869	W647-A865 HydrophobicContact CZ3-CB 4.25Å; A648-A865 HydrophobicContact CB-CB 3.98Å; Y718-A865 WeakPolarHBondContact OH-CA 3.21Å; Y718-A865 WeakPolarHBondContact OH-CB 3.45Å; Y718-A865 PolarHBondContact OH-O 3.39Å; Y764-A865 HydrophobicContact CD2-CB 4.07Å; Y764-A865 HydrophobicContact CE2-CB 3.89Å; F861-A865 HydrophobicContact CE1-CB 4.25Å; F861-A865 HydrophobicContact CZ-CB 4.26Å; F861-A865 WeakPolarHBondContact O-CB 3.33Å; F861-A865 PolarHBondContact O-N 2.9Å; A865-R869 PolarHBondContact O-N 3.46Å
866	S	98.5	Very high	97.3	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-63.5	-47.2	177	174	0	0	0	0	111.6	T644 L645 I862 V863 L868 R869 A870	T644-S866 WeakPolarHBondContact CB-OG 3.05Å; T644-S866 PolarHBondContact OG1-OG 3.37Å; L645-S866 WeakPolarHBondContact CD2-OG 3.38Å; L645-S866 WeakPolarHBondContact CG-OG 2.92Å; L645-S866 PolarHBondContact N-OG 2.81Å; I862-S866 WeakPolarHBondContact O-CB 3.34Å; I862-S866 PolarHBondContact O-N 3.28Å; V863-S866 PolarHBondContact O-N 3.48Å; S866-L868 PolarHBondContact O-N 3.49Å; S866-R869 CarbonylContact O-C 3.54Å; S866-R869 PolarHBondContact O-N 3.11Å; S866-A870 WeakPolarHBondContact O-CB 3.41Å; S866-A870 PolarHBondContact O-N 3.47Å
867	N	98.5	Very high	97.4	Very high	17 Å²	17	22 Å²	22	9%	0.091	13%	0.126	C	C	.	.	H	α-helix	trans	-69.9	-33.6	-175.8	-73.6	-16.3	0	0	0	112.7	L760 V863 A864 A870 E871 S877 A878	L760-N867 HydrophobicContact CD1-CB 3.91Å; L760-N867 HydrophobicContact CD2-CB 4.1Å; V863-N867 VanDerWaalsContact O-CB 3.3Å; V863-N867 WeakPolarHBondContact O-CB 3.36Å; V863-N867 PolarHBondContact O-N 2.86Å; V863-N867 PolarHBondContact O-ND2 3.39Å; A864-N867 PolarHBondContact O-N 3.32Å; N867-A870 WeakPolarHBondContact O-CB 3.35Å; N867-A870 PolarHBondContact O-N 3.39Å; N867-E871 PolarHBondContact O-N 3.48Å; N867-S877 WeakPolarHBondContact OD1-CB 3.47Å; N867-A878 PolarHBondContact ND2-O 3.12Å; N867-A878 PolarHBondContact OD1-N 3.37Å; N867-A878 VanDerWaalsContact OD1-N 3.09Å; N867-A878 PolarHBondContact OD1-O 3.06Å
868	L	98.7	Very high	97.2	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-60.4	-46.2	169.5	-78.1	166.6	0	0	0	111.5	W714 Y718 L752 L760 H761 Y764 A864 S866 A870 E871 N872	W714-L868 HydrophobicContact CZ2-CD2 4.14Å; W714-L868 VanDerWaalsContact NE1-CD1 3.31Å; Y718-L868 HydrophobicContact CD1-CB 3.71Å; Y718-L868 HydrophobicContact CD2-CB 4.33Å; Y718-L868 HydrophobicContact CD2-CD1 4.03Å; Y718-L868 HydrophobicContact CE1-CB 3.55Å; Y718-L868 HydrophobicContact CE1-CD1 4.45Å; Y718-L868 HydrophobicContact CE2-CB 4.21Å; Y718-L868 HydrophobicContact CE2-CD1 3.63Å; Y718-L868 HydrophobicContact CG-CB 4.1Å; L752-L868 HydrophobicContact CD1-CD2 4.22Å; L760-L868 HydrophobicContact CD2-CD2 4.18Å; L760-L868 HydrophobicContact CD2-CG 4.23Å; L760-L868 HydrophobicContact CG-CD2 4.16Å; L760-L868 HydrophobicContact CG-CG 4.08Å; H761-L868 WeakPolarHBondContact CD2-CD2 3.18Å; Y764-L868 HydrophobicContact CD1-CD1 4.46Å; Y764-L868 HydrophobicContact CD2-CD1 3.77Å; Y764-L868 HydrophobicContact CG-CD1 3.67Å; A864-L868 WeakPolarHBondContact O-CB 3.31Å; A864-L868 WeakPolarHBondContact O-CD1 3.38Å; A864-L868 VanDerWaalsContact O-CG 3.24Å; A864-L868 WeakPolarHBondContact O-CG 3.24Å; A864-L868 PolarHBondContact O-N 3.17Å; S866-L868 PolarHBondContact O-N 3.49Å; L868-A870 VanDerWaalsContact C-N 3.3Å; L868-A870 PolarHBondContact O-N 3.14Å; L868-E871 WeakPolarHBondContact O-CB 3.46Å; L868-E871 PolarHBondContact O-N 3.31Å; L868-N872 PolarHBondContact O-N 2.9Å; L868-N872 VanDerWaalsContact O-N 3.1Å; L868-N872 PolarHBondContact O-OD1 3.33Å
869	R	98.5	Very high	97	Very high	8 Å²	8	25.7 Å²	25.7	3%	0.03	15%	0.148	C	C	.	.	H	α-helix	trans	-67	-33.3	175.7	-168.7	172.4	-176.1	85.4	-3	112	L634 K635 T644 W647 Y718 A865 S866 E871 N872 Y873	L634-R869 PolarHBondContact O-NH2 3.15Å; K635-R869 PolarHBondContact O-NH2 2.98Å; T644-R869 HydrophobicContact CG2-CB 4.15Å; T644-R869 HydrophobicContact CG2-CG 3.96Å; W647-R869 HydrophobicContact CE3-CB 4.28Å; W647-R869 HydrophobicContact CE3-CG 4.42Å; W647-R869 HydrophobicContact CZ3-CB 4.09Å; Y718-R869 HydrophobicContact CE1-CB 4.18Å; A865-R869 PolarHBondContact O-N 3.46Å; S866-R869 CarbonylContact O-C 3.54Å; S866-R869 PolarHBondContact O-N 3.11Å; R869-E871 VanDerWaalsContact C-N 3.33Å; R869-N872 WeakPolarHBondContact O-CB 3.33Å; R869-N872 PolarHBondContact O-N 3.37Å; R869-Y873 HydrophobicContact CG-CD2 4.31Å; R869-Y873 HydrophobicContact CG-CE2 4.25Å; R869-Y873 WeakPolarHBondContact O-CD2 3.37Å; R869-Y873 PolarHBondContact O-N 3.38Å
870	A	98	Very high	96.8	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-62.7	-43.5	174.6	0	0	0	0	0	110.5	I641 S866 N867 L868 N872 Y873 D874 I875	I641-A870 HydrophobicContact CD1-CB 3.86Å; S866-A870 WeakPolarHBondContact O-CB 3.41Å; S866-A870 PolarHBondContact O-N 3.47Å; N867-A870 WeakPolarHBondContact O-CB 3.35Å; N867-A870 PolarHBondContact O-N 3.39Å; L868-A870 VanDerWaalsContact C-N 3.3Å; L868-A870 PolarHBondContact O-N 3.14Å; A870-N872 VanDerWaalsContact C-N 3.35Å; A870-N872 PolarHBondContact O-N 2.97Å; A870-Y873 CarbonylContact O-C 3.55Å; A870-Y873 PolarHBondContact O-N 3.4Å; A870-Y873 VanDerWaalsContact O-N 3.14Å; A870-D874 PolarHBondContact O-N 3.07Å; A870-D874 VanDerWaalsContact O-N 3.07Å; A870-I875 HydrophobicContact CB-CB 3.96Å; A870-I875 HydrophobicContact CB-CG2 4.3Å; A870-I875 WeakPolarHBondContact CB-O 3.42Å; A870-I875 PolarHBondContact O-N 3.38Å
871	E	98.1	Very high	96.5	Very high	76 Å²	76	29.1 Å²	29.1	36%	0.355	16%	0.16	S	C	.	.	H	α-helix	trans	-59.6	-42.1	174.5	-167.7	-178.5	160.6	0	0	111.9	H750 L752 N867 L868 R869 Y873 D874	H750-E871 PolarHBondContact CE1-O 3.04Å; H750-E871 PolarHBondContact NE2-O 3.36Å; L752-E871 HydrophobicContact CD1-CB 4.17Å; L752-E871 HydrophobicContact CD1-CG 4.31Å; L752-E871 HydrophobicContact CD2-CG 3.9Å; N867-E871 PolarHBondContact O-N 3.48Å; L868-E871 WeakPolarHBondContact O-CB 3.46Å; L868-E871 PolarHBondContact O-N 3.31Å; R869-E871 VanDerWaalsContact C-N 3.33Å; E871-Y873 PolarHBondContact O-N 3.47Å; E871-Y873 VanDerWaalsContact O-N 3.14Å; E871-D874 PolarHBondContact O-N 3Å
872	N	98.5	Very high	96.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-54.4	-33.2	175.5	-77.2	120.8	0	0	0	113.9	Y718 I722 P749 H750 L752 L868 R869 A870	Y718-N872 WeakPolarHBondContact CD1-OD1 3.33Å; Y718-N872 PolarHBondContact O-ND2 3.07Å; I722-N872 HydrophobicContact CD1-CB 4.22Å; P749-N872 CarbonylContact C-O 3.54Å; P749-N872 WeakPolarHBondContact CA-O 3.38Å; P749-N872 WeakPolarHBondContact CB-O 3.38Å; H750-N872 PolarHBondContact N-O 3.39Å; H750-N872 PolarHBondContact O-ND2 3.35Å; L752-N872 WeakPolarHBondContact CG-ND2 2.95Å; L868-N872 PolarHBondContact O-N 2.9Å; L868-N872 VanDerWaalsContact O-N 3.1Å; L868-N872 PolarHBondContact O-OD1 3.33Å; R869-N872 WeakPolarHBondContact O-CB 3.33Å; R869-N872 PolarHBondContact O-N 3.37Å; A870-N872 VanDerWaalsContact C-N 3.35Å; A870-N872 PolarHBondContact O-N 2.97Å
873	Y	97.2	Very high	96	Very high	3 Å²	3	33.4 Å²	33.4	1%	0.012	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.4	15.3	-173.6	-69.2	-96.1	0	0	0	112.6	N636 P638 I722 L725 R747 P749 R869 A870 E871 I875	N636-Y873 WeakPolarHBondContact O-CE1 3.5Å; N636-Y873 PolarHBondContact O-OH 2.88Å; P638-Y873 HydrophobicContact CG-CD1 3.86Å; P638-Y873 HydrophobicContact CG-CD2 3.56Å; P638-Y873 HydrophobicContact CG-CE1 3.97Å; P638-Y873 HydrophobicContact CG-CE2 3.69Å; P638-Y873 HydrophobicContact CG-CG 3.67Å; I722-Y873 HydrophobicContact CD1-CE2 3.92Å; L725-Y873 HydrophobicContact CD2-CE1 4.47Å; L725-Y873 VanDerWaalsContact CD2-OH 3.29Å; L725-Y873 WeakPolarHBondContact CD2-OH 3.39Å; R747-Y873 HydrophobicContact CB-CD1 4.46Å; R747-Y873 VanDerWaalsContact CD-O 3.31Å; R747-Y873 WeakPolarHBondContact CD-O 3.24Å; R747-Y873 PolarHBondContact NE-O 3.05Å; R747-Y873 WeakPolarHBondContact O-CD1 3.43Å; P749-Y873 HydrophobicContact CB-CD1 3.81Å; P749-Y873 HydrophobicContact CB-CD2 4.41Å; P749-Y873 HydrophobicContact CB-CE1 3.61Å; P749-Y873 HydrophobicContact CB-CE2 4.24Å; P749-Y873 HydrophobicContact CB-CG 4.2Å; P749-Y873 HydrophobicContact CG-CD1 4.42Å; P749-Y873 HydrophobicContact CG-CE1 3.89Å; R869-Y873 HydrophobicContact CG-CD2 4.31Å; R869-Y873 HydrophobicContact CG-CE2 4.25Å; R869-Y873 WeakPolarHBondContact O-CD2 3.37Å; R869-Y873 PolarHBondContact O-N 3.38Å; A870-Y873 CarbonylContact O-C 3.55Å; A870-Y873 PolarHBondContact O-N 3.4Å; A870-Y873 VanDerWaalsContact O-N 3.14Å; E871-Y873 PolarHBondContact O-N 3.47Å; E871-Y873 VanDerWaalsContact O-N 3.14Å; Y873-I875 PolarHBondContact O-N 3.43Å
874	D	95.2	Very high	95.8	Very high	92 Å²	92	33.2 Å²	33.2	49%	0.492	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	39.1	-176.7	-56.9	-41.9	0	0	0	113.2	R747 H750 A870 E871	R747-D874 PolarHBondContact NE-O 3.19Å; R747-D874 PolarHBondContact NH2-O 2.81Å; H750-D874 IonicContact CD2-OD1 2.86Å; H750-D874 IonicContact CD2-OD2 3.14Å; H750-D874 IonicContact NE2-OD1 2.71Å; H750-D874 PolarHBondContact NE2-OD1 3.14Å; A870-D874 PolarHBondContact O-N 3.07Å; A870-D874 VanDerWaalsContact O-N 3.07Å; E871-D874 PolarHBondContact O-N 3Å
875	I	94.2	Very high	95.6	Very high	11 Å²	11	35.1 Å²	35.1	6%	0.056	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-92.4	135.1	176.5	-61.1	170	0	0	0	108.3	P638 I641 T644 A870 Y873 S877	P638-I875 HydrophobicContact CB-CD1 3.94Å; P638-I875 HydrophobicContact CG-CD1 4.3Å; I641-I875 HydrophobicContact CB-CG2 4.27Å; T644-I875 HydrophobicContact CG2-CD1 4Å; A870-I875 HydrophobicContact CB-CB 3.96Å; A870-I875 HydrophobicContact CB-CG2 4.3Å; A870-I875 WeakPolarHBondContact CB-O 3.42Å; A870-I875 PolarHBondContact O-N 3.38Å; Y873-I875 PolarHBondContact O-N 3.43Å; I875-S877 PolarHBondContact O-N 3.29Å
876	P	92.8	Very high	95.2	Very high	100 Å²	100	37 Å²	37	65%	0.649	20%	0.196	S	C	*	.	P	Polyproline II helix	trans	-58.2	124	173.7	-24.1	33.9	0	0	0	111.9
877	S	95.9	Very high	95	Very high	84 Å²	84	37.1 Å²	37.1	59%	0.587	20%	0.197	S	C	*	.	P	Polyproline II helix	trans	-62.1	154.6	178.4	58.2	0	0	0	0	112.7	N867 I875	N867-S877 WeakPolarHBondContact OD1-CB 3.47Å; I875-S877 PolarHBondContact O-N 3.29Å
878	A	94.4	Very high	94.5	Very high	8 Å²	8	36.9 Å²	36.9	7%	0.066	20%	0.198	C	C	.	.			trans	-108.3	151.4	169.8	0	0	0	0	0	111.9	I641 N867 K882	I641-A878 HydrophobicContact CD1-CB 4.24Å; I641-A878 HydrophobicContact CG1-CB 3.64Å; N867-A878 PolarHBondContact ND2-O 3.12Å; N867-A878 PolarHBondContact OD1-N 3.37Å; N867-A878 VanDerWaalsContact OD1-N 3.09Å; N867-A878 PolarHBondContact OD1-O 3.06Å; A878-K882 HydrophobicContact CB-CB 4.15Å; A878-K882 HydrophobicContact CB-CD 4.05Å; A878-K882 HydrophobicContact CB-CG 4.14Å
879	D	92.3	Very high	94.1	Very high	95 Å²	95	43.1 Å²	43.1	51%	0.508	23%	0.225	S	C	.	.			trans	-74.5	174.3	170.1	65.3	9.2	0	0	0	111.9	H881 K882 S883	D879-H881 VanDerWaalsContact C-N 3.28Å; D879-H881 PolarHBondContact O-N 2.9Å; D879-H881 PolarHBondContact OD1-N 3.02Å; D879-K882 VanDerWaalsContact OD1-CB 3.27Å; D879-K882 WeakPolarHBondContact OD1-CB 3.5Å; D879-K882 PolarHBondContact OD1-N 3.48Å; D879-S883 WeakPolarHBondContact O-CB 3.3Å; D879-S883 PolarHBondContact O-N 3.33Å; D879-S883 PolarHBondContact O-OG 3.48Å
880	R	92.4	Very high	93.7	Very high	69 Å²	69	43.1 Å²	43.1	26%	0.26	23%	0.226	S	C	.	.	H	α-helix	trans	-59.2	-38.9	177.2	-172.4	-173.9	-161.2	122	10.7	111.9	D854 D860 V863 S883 K884	D854-R880 IonicContact OD1-CZ 2.91Å; D854-R880 IonicContact OD1-NE 3.84Å; D854-R880 PolarHBondContact OD1-NE 3.16Å; D854-R880 IonicContact OD1-NH2 3.18Å; D854-R880 PolarHBondContact OD1-NH2 2.74Å; D860-R880 VanDerWaalsContact CG-NH2 3.28Å; D860-R880 IonicContact OD1-CZ 3.38Å; D860-R880 VanDerWaalsContact OD1-CZ 3.24Å; D860-R880 IonicContact OD1-NH1 3.62Å; D860-R880 PolarHBondContact OD1-NH1 3.43Å; D860-R880 IonicContact OD1-NH2 2.94Å; D860-R880 PolarHBondContact OD1-NH2 3.32Å; D860-R880 VanDerWaalsContact OD1-NH2 3.15Å; D860-R880 IonicContact OD2-CZ 2.73Å; D860-R880 IonicContact OD2-NH1 3.54Å; D860-R880 IonicContact OD2-NH2 3.21Å; D860-R880 PolarHBondContact OD2-NH2 3.46Å; V863-R880 HydrophobicContact CG2-CB 4.13Å; V863-R880 HydrophobicContact CG2-CG 4.16Å; R880-S883 PolarHBondContact O-N 3.3Å; R880-K884 WeakPolarHBondContact O-CB 3.21Å; R880-K884 PolarHBondContact O-N 3.15Å
881	H	90.7	Very high	93.4	Very high	24 Å²	24	46.8 Å²	46.8	11%	0.111	25%	0.245	C	C	.	.	H	α-helix	trans	-64.5	-51.3	-176.8	180	-103.4	0	0	0	111.8	E52 L59 Y60 H64 D879 K884 L885	E52-H881 IonicContact OE2-CD2 3.01Å; L59-H881 WeakPolarHBondContact CB-NE2 3.46Å; Y60-H881 AromaticContact CD1-CE1 3.39Å; Y60-H881 WeakPolarHBondContact CD1-CE1 3.35Å; Y60-H881 AromaticContact CD1-NE2 3.7Å; Y60-H881 AromaticContact CE1-CD2 3.74Å; Y60-H881 AromaticContact CE1-CE1 3.15Å; Y60-H881 WeakPolarHBondContact CE1-CE1 3.41Å; Y60-H881 AromaticContact CE1-CG 3.9Å; Y60-H881 AromaticContact CE1-ND1 3.55Å; Y60-H881 AromaticContact CE1-NE2 3.26Å; Y60-H881 VanDerWaalsContact CE1-NE2 3.26Å; Y60-H881 WeakPolarHBondContact CE1-NE2 3.37Å; Y60-H881 VanDerWaalsContact CE1-O 3.32Å; Y60-H881 WeakPolarHBondContact CE1-O 3.28Å; Y60-H881 AromaticContact CZ-CD2 3.92Å; Y60-H881 AromaticContact CZ-NE2 3.67Å; Y60-H881 PolarHBondContact OH-O 3.45Å; H64-H881 AromaticContact CE1-CD2 3.8Å; H64-H881 AromaticContact CE1-CE1 3.53Å; H64-H881 AromaticContact CE1-CG 3.73Å; H64-H881 AromaticContact CE1-ND1 3.57Å; H64-H881 AromaticContact CE1-NE2 3.69Å; D879-H881 VanDerWaalsContact C-N 3.28Å; D879-H881 PolarHBondContact O-N 2.9Å; D879-H881 PolarHBondContact OD1-N 3.02Å; H881-K884 PolarHBondContact O-N 2.94Å; H881-L885 PolarHBondContact O-N 2.9Å
882	K	92.1	Very high	93.3	Very high	90 Å²	90	44.4 Å²	44.4	39%	0.391	24%	0.236	S	C	.	.	H	α-helix	trans	-66.1	-38.4	174.8	-179.1	174.3	179.3	-178.2	0	111.6	E642 A878 D879 K884 L885 I886	E642-K882 IonicContact OE1-NZ 3.36Å; A878-K882 HydrophobicContact CB-CB 4.15Å; A878-K882 HydrophobicContact CB-CD 4.05Å; A878-K882 HydrophobicContact CB-CG 4.14Å; D879-K882 VanDerWaalsContact OD1-CB 3.27Å; D879-K882 WeakPolarHBondContact OD1-CB 3.5Å; D879-K882 PolarHBondContact OD1-N 3.48Å; K882-K884 VanDerWaalsContact C-N 3.34Å; K882-K884 PolarHBondContact O-N 3.27Å; K882-L885 WeakPolarHBondContact O-CB 3.4Å; K882-L885 PolarHBondContact O-N 3.41Å; K882-I886 HydrophobicContact CG-CD1 4.01Å; K882-I886 PolarHBondContact O-N 2.95Å
883	S	95.7	Very high	93.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-62.4	-42.3	177	-60.1	0	0	0	0	112.1	D879 R880 L885 I886 A887	D879-S883 WeakPolarHBondContact O-CB 3.3Å; D879-S883 PolarHBondContact O-N 3.33Å; D879-S883 PolarHBondContact O-OG 3.48Å; R880-S883 PolarHBondContact O-N 3.3Å; S883-L885 VanDerWaalsContact C-N 3.33Å; S883-L885 PolarHBondContact O-N 3.1Å; S883-I886 PolarHBondContact O-N 3.41Å; S883-A887 VanDerWaalsContact O-CB 3.3Å; S883-A887 WeakPolarHBondContact O-CB 3.32Å; S883-A887 PolarHBondContact O-N 3.34Å
884	K	93.9	Very high	93.3	Very high	18 Å²	18	44.7 Å²	44.7	8%	0.078	24%	0.239	C	C	.	.	H	α-helix	trans	-65.4	-34.5	178	-174.6	169.6	169.1	162.5	0	112.2	K851 D852 M859 R880 H881 K882 G888 I890	K851-K884 WeakPolarHBondContact O-CE 3.18Å; K851-K884 PolarHBondContact O-NZ 2.85Å; D852-K884 WeakPolarHBondContact OD1-CE 3.27Å; D852-K884 IonicContact OD1-NZ 3.92Å; D852-K884 PolarHBondContact OD1-NZ 3.36Å; M859-K884 VanDerWaalsContact CE-CA 3.41Å; M859-K884 HydrophobicContact CE-CB 3.74Å; M859-K884 HydrophobicContact CE-CG 4.43Å; M859-K884 HydrophobicContact CG-CD 4.39Å; M859-K884 HydrophobicContact CG-CG 4.33Å; M859-K884 HydrophobicContact SD-CB 4.13Å; M859-K884 HydrophobicContact SD-CG 4.16Å; R880-K884 WeakPolarHBondContact O-CB 3.21Å; R880-K884 PolarHBondContact O-N 3.15Å; H881-K884 PolarHBondContact O-N 2.94Å; K882-K884 VanDerWaalsContact C-N 3.34Å; K882-K884 PolarHBondContact O-N 3.27Å; K884-G888 WeakPolarHBondContact O-CA 3.46Å; K884-G888 PolarHBondContact O-N 3.38Å; K884-I890 HydrophobicContact CD-CD1 4.49Å; K884-I890 HydrophobicContact CG-CD1 3.74Å
885	L	92.4	Very high	93.4	Very high	42 Å²	42	40.4 Å²	40.4	22%	0.22	22%	0.216	C	C	.	.	H	α-helix	trans	-56.6	-54.2	173	179	56.8	0	0	0	111.3	Y60 H881 K882 S883 K889 I890 P892	Y60-L885 HydrophobicContact CD1-CB 3.98Å; Y60-L885 HydrophobicContact CD1-CD1 3.86Å; Y60-L885 HydrophobicContact CD1-CD2 3.78Å; Y60-L885 HydrophobicContact CD1-CG 4.08Å; Y60-L885 HydrophobicContact CD2-CD1 3.87Å; Y60-L885 HydrophobicContact CE1-CB 3.5Å; Y60-L885 VanDerWaalsContact CE1-CB 3.5Å; Y60-L885 HydrophobicContact CE1-CD1 4.14Å; Y60-L885 HydrophobicContact CE1-CD2 4.13Å; Y60-L885 HydrophobicContact CE1-CG 4.12Å; Y60-L885 HydrophobicContact CE2-CB 4.41Å; Y60-L885 HydrophobicContact CE2-CD1 4.15Å; Y60-L885 HydrophobicContact CG-CD1 3.72Å; Y60-L885 HydrophobicContact CG-CD2 4.35Å; Y60-L885 HydrophobicContact CG-CG 4.44Å; Y60-L885 PolarHBondContact OH-N 2.98Å; H881-L885 PolarHBondContact O-N 2.9Å; K882-L885 WeakPolarHBondContact O-CB 3.4Å; K882-L885 PolarHBondContact O-N 3.41Å; S883-L885 VanDerWaalsContact C-N 3.33Å; S883-L885 PolarHBondContact O-N 3.1Å; L885-K889 PolarHBondContact O-N 3.47Å; L885-I890 HydrophobicContact CD1-CB 4.05Å; L885-I890 HydrophobicContact CD1-CG2 4.13Å; L885-I890 VanDerWaalsContact CD1-O 3.25Å; L885-I890 WeakPolarHBondContact CD1-O 3.37Å; L885-I890 PolarHBondContact O-N 3.5Å; L885-P892 HydrophobicContact CD1-CG 4.29Å
886	I	91.8	Very high	93.6	Very high	40 Å²	40	40 Å²	40	21%	0.205	21%	0.214	C	C	.	.	H	α-helix	trans	-77.3	-55.8	-170.6	-63.1	161.5	0	0	0	110.2	E642 L645 K882 S883 G888 K889	E642-I886 HydrophobicContact CG-CD1 3.97Å; L645-I886 HydrophobicContact CB-CG2 3.94Å; L645-I886 HydrophobicContact CD1-CB 3.92Å; L645-I886 HydrophobicContact CD1-CD1 3.47Å; L645-I886 VanDerWaalsContact CD1-CD1 3.47Å; L645-I886 HydrophobicContact CD1-CG1 4.27Å; L645-I886 HydrophobicContact CD1-CG2 4.08Å; K882-I886 HydrophobicContact CG-CD1 4.01Å; K882-I886 PolarHBondContact O-N 2.95Å; S883-I886 PolarHBondContact O-N 3.41Å; I886-G888 VanDerWaalsContact C-N 3.29Å; I886-G888 PolarHBondContact O-N 2.79Å; I886-K889 PolarHBondContact O-N 2.95Å; I886-K889 VanDerWaalsContact O-N 3.1Å
887	A	92.7	Very high	93.9	Very high	3 Å²	3	35.2 Å²	35.2	3%	0.025	18%	0.183	C	C	.	.	H	α-helix	trans	-69	-27.8	-176.4	0	0	0	0	0	113.3	R649 I862 S883 K889	R649-A887 PolarHBondContact NH1-O 3.17Å; I862-A887 HydrophobicContact CD1-CB 4.11Å; I862-A887 HydrophobicContact CG2-CB 3.68Å; S883-A887 VanDerWaalsContact O-CB 3.3Å; S883-A887 WeakPolarHBondContact O-CB 3.32Å; S883-A887 PolarHBondContact O-N 3.34Å; A887-K889 VanDerWaalsContact C-N 3.32Å
888	G	89.8	Confident	94.1	Very high	11 Å²	11	31.3 Å²	31.3	11%	0.113	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-2.1	175.1	0	0	0	0	0	114.2	K884 I886 I890	K884-G888 WeakPolarHBondContact O-CA 3.46Å; K884-G888 PolarHBondContact O-N 3.38Å; I886-G888 VanDerWaalsContact C-N 3.29Å; I886-G888 PolarHBondContact O-N 2.79Å; G888-I890 PolarHBondContact O-N 3.07Å; G888-I890 VanDerWaalsContact O-N 3.16Å
889	K	89.7	Confident	94.3	Very high	131 Å²	131	30.9 Å²	30.9	57%	0.57	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	43.4	44.9	-170	-65	-167.1	171.6	-158.8	0	111.9	E626 L885 I886 A887 I891	E626-K889 IonicContact OE2-NZ 2.83Å; E626-K889 PolarHBondContact OE2-NZ 3.21Å; L885-K889 PolarHBondContact O-N 3.47Å; I886-K889 PolarHBondContact O-N 2.95Å; I886-K889 VanDerWaalsContact O-N 3.1Å; A887-K889 VanDerWaalsContact C-N 3.32Å; K889-I891 PolarHBondContact O-N 2.81Å
890	I	90.3	Very high	94.6	Very high	8 Å²	8	26.4 Å²	26.4	4%	0.041	13%	0.128	C	C	.	.	P	Polyproline II helix	trans	-71.6	122.1	-175.3	-70.9	-176.8	0	0	0	109	Y60 K851 K884 L885 G888 P892	Y60-I890 HydrophobicContact CD2-CG2 3.57Å; Y60-I890 HydrophobicContact CE2-CB 4.22Å; Y60-I890 HydrophobicContact CE2-CD1 3.95Å; Y60-I890 HydrophobicContact CE2-CG2 3.53Å; K851-I890 HydrophobicContact CD-CD1 4.49Å; K851-I890 HydrophobicContact CD-CG1 4.2Å; K884-I890 HydrophobicContact CD-CD1 4.49Å; K884-I890 HydrophobicContact CG-CD1 3.74Å; L885-I890 HydrophobicContact CD1-CB 4.05Å; L885-I890 HydrophobicContact CD1-CG2 4.13Å; L885-I890 VanDerWaalsContact CD1-O 3.25Å; L885-I890 WeakPolarHBondContact CD1-O 3.37Å; L885-I890 PolarHBondContact O-N 3.5Å; G888-I890 PolarHBondContact O-N 3.07Å; G888-I890 VanDerWaalsContact O-N 3.16Å; I890-P892 VanDerWaalsContact O-CD 3.26Å; I890-P892 WeakPolarHBondContact O-CD 3.27Å
891	I	91.2	Very high	94.9	Very high	77 Å²	77	23.1 Å²	23.1	40%	0.395	12%	0.116	S	C	.	.	P	Polyproline II helix	trans	-78.3	116.9	169.7	-58.1	174.5	0	0	0	108.5	L601 K889	L601-I891 HydrophobicContact CD1-CG2 3.81Å; K889-I891 PolarHBondContact O-N 2.81Å
892	P	95.4	Very high	95.3	Very high	26 Å²	26	22 Å²	22	17%	0.169	11%	0.11	C	C	.	.	P	Polyproline II helix	trans	-59.2	136.2	171.4	-23.1	34.8	0	0	0	110.5	V61 G602 L885 I890	V61-P892 HydrophobicContact CG2-CB 3.7Å; G602-P892 PolarHBondContact N-O 2.78Å; L885-P892 HydrophobicContact CD1-CG 4.29Å; I890-P892 VanDerWaalsContact O-CD 3.26Å; I890-P892 WeakPolarHBondContact O-CD 3.27Å
893	A	97.2	Very high	95.6	Very high	7 Å²	7	17.7 Å²	17.7	6%	0.058	9%	0.092	C	C	.	.			trans	-153.8	147.6	-176.7	0	0	0	0	0	111.2	R57 Q58	R57-A893 CarbonylContact C-O 3.52Å; R57-A893 VanDerWaalsContact C-O 3.31Å; R57-A893 HydrophobicContact CB-CB 4.42Å; R57-A893 PolarHBondContact O-N 3.5Å; Q58-A893 PolarHBondContact N-O 2.68Å
894	I	98.4	Very high	95.8	Very high	3 Å²	3	18 Å²	18	2%	0.015	9%	0.093	C	C	.	.			trans	-142.7	150.6	178.7	-167.8	169	0	0	0	110.1	Q58 V61 L62 M410 T896 T897 T898	Q58-I894 HydrophobicContact CG-CD1 3.91Å; Q58-I894 HydrophobicContact CG-CG1 4.11Å; V61-I894 HydrophobicContact CG1-CG2 4.38Å; L62-I894 HydrophobicContact CD1-CD1 4.2Å; L62-I894 HydrophobicContact CD2-CD1 4.39Å; L62-I894 HydrophobicContact CG-CD1 4.33Å; M410-I894 HydrophobicContact CE-CD1 4.46Å; I894-T896 VanDerWaalsContact C-N 3.29Å; I894-T896 VanDerWaalsContact CG2-OG1 3.26Å; I894-T896 WeakPolarHBondContact CG2-OG1 3.47Å; I894-T896 PolarHBondContact O-N 3.31Å; I894-T897 WeakPolarHBondContact CG2-OG1 3.3Å; I894-T898 PolarHBondContact O-N 3.09Å; I894-T898 PolarHBondContact O-OG1 2.74Å
895	A	98.6	Very high	96	Very high	2 Å²	2	17.2 Å²	17.2	2%	0.017	9%	0.09	C	C	.	.	H	α-helix	trans	-62.4	-33.6	-176.8	0	0	0	0	0	113.3	L93 R515 T898 A899	L93-A895 HydrophobicContact CD1-CB 4.11Å; R515-A895 HydrophobicContact CB-CB 4.21Å; A895-T898 WeakPolarHBondContact O-CB 3.47Å; A895-T898 PolarHBondContact O-N 2.84Å; A895-A899 WeakPolarHBondContact O-CB 3.47Å; A895-A899 PolarHBondContact O-N 3.04Å
896	T	98.8	Very high	96.3	Very high	2 Å²	2	15.2 Å²	15.2	1%	0.012	8%	0.079	C	C	.	.	H	α-helix	trans	-59.7	-55.7	-178.4	48.2	0	0	0	0	112.4	N90 A406 Q407 I894 T898 A899 A900	N90-T896 HydrophobicContact CB-CG2 4.16Å; A406-T896 HydrophobicContact CB-CG2 3.95Å; Q407-T896 HydrophobicContact CB-CG2 4.07Å; Q407-T896 PolarHBondContact OE1-OG1 2.85Å; I894-T896 VanDerWaalsContact C-N 3.29Å; I894-T896 VanDerWaalsContact CG2-OG1 3.26Å; I894-T896 WeakPolarHBondContact CG2-OG1 3.47Å; I894-T896 PolarHBondContact O-N 3.31Å; T896-T898 VanDerWaalsContact C-N 3.29Å; T896-T898 PolarHBondContact O-N 3.27Å; T896-A899 PolarHBondContact O-N 2.73Å; T896-A900 WeakPolarHBondContact O-CB 3.34Å; T896-A900 PolarHBondContact O-N 3.33Å
897	T	98.8	Very high	96.6	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-60.8	-40.9	177.1	-45	0	0	0	0	111.2	T600 G602 T603 K604 I894 A900 V901	T600-T897 HydrophobicContact CG2-CG2 4.18Å; G602-T897 VanDerWaalsContact O-CB 3.32Å; G602-T897 WeakPolarHBondContact O-CB 3.39Å; G602-T897 PolarHBondContact O-OG1 3.03Å; T603-T897 WeakPolarHBondContact CA-OG1 3.31Å; K604-T897 WeakPolarHBondContact O-CG2 3.4Å; I894-T897 WeakPolarHBondContact CG2-OG1 3.3Å; T897-A900 PolarHBondContact O-N 3.47Å; T897-V901 WeakPolarHBondContact O-CG2 3.22Å; T897-V901 PolarHBondContact O-N 3.27Å
898	T	98.8	Very high	96.9	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.006	7%	0.072	C	C	.	.	H	α-helix	trans	-59.9	-49.3	179.4	-52.7	0	0	0	0	111.3	A478 I479 E482 I894 A895 T896 A900 V901 V902	A478-T898 VanDerWaalsContact C-CG2 3.41Å; A478-T898 HydrophobicContact CB-CG2 3.75Å; A478-T898 WeakPolarHBondContact O-CG2 3.2Å; I479-T898 HydrophobicContact CG1-CG2 4.06Å; E482-T898 HydrophobicContact CG-CG2 3.91Å; I894-T898 PolarHBondContact O-N 3.09Å; I894-T898 PolarHBondContact O-OG1 2.74Å; A895-T898 WeakPolarHBondContact O-CB 3.47Å; A895-T898 PolarHBondContact O-N 2.84Å; T896-T898 VanDerWaalsContact C-N 3.29Å; T896-T898 PolarHBondContact O-N 3.27Å; T898-A900 VanDerWaalsContact C-N 3.31Å; T898-A900 PolarHBondContact O-N 3.46Å; T898-V901 VanDerWaalsContact O-CG2 3.26Å; T898-V901 WeakPolarHBondContact O-CG2 3.38Å; T898-V902 WeakPolarHBondContact O-CG2 3.5Å; T898-V902 PolarHBondContact O-N 3.23Å; T898-V902 VanDerWaalsContact O-N 3.1Å
899	A	98.8	Very high	97.4	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-62.3	-39.9	176.4	0	0	0	0	0	111.7	E86 A399 A895 T896 V902 G903	E86-A899 WeakPolarHBondContact OE1-CB 3.47Å; A399-A899 CarbonylContact O-C 3.59Å; A895-A899 WeakPolarHBondContact O-CB 3.47Å; A895-A899 PolarHBondContact O-N 3.04Å; T896-A899 PolarHBondContact O-N 2.73Å; A899-V902 PolarHBondContact O-N 2.85Å; A899-G903 PolarHBondContact O-N 2.85Å
900	A	98.8	Very high	97.8	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-62.3	-50.6	179	0	0	0	0	0	112.5	F400 L404 T896 T897 T898 V902 G903 L904 L927	F400-A900 HydrophobicContact CD2-CB 4.29Å; L404-A900 HydrophobicContact CD2-CB 4.03Å; T896-A900 WeakPolarHBondContact O-CB 3.34Å; T896-A900 PolarHBondContact O-N 3.33Å; T897-A900 PolarHBondContact O-N 3.47Å; T898-A900 VanDerWaalsContact C-N 3.31Å; T898-A900 PolarHBondContact O-N 3.46Å; A900-V902 PolarHBondContact O-N 3.46Å; A900-G903 PolarHBondContact O-N 2.77Å; A900-L904 PolarHBondContact O-N 2.81Å; A900-L927 HydrophobicContact CB-CD1 4.13Å
901	V	98.8	Very high	98.2	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-65.1	-39.6	178.7	-69.2	0	0	0	0	112.1	T600 V607 T897 T898 G903 L904 V905 L927	T600-V901 HydrophobicContact CG2-CG1 4.31Å; T600-V901 HydrophobicContact CG2-CG2 3.49Å; T600-V901 VanDerWaalsContact CG2-CG2 3.49Å; V607-V901 HydrophobicContact CG2-CB 4.15Å; T897-V901 WeakPolarHBondContact O-CG2 3.22Å; T897-V901 PolarHBondContact O-N 3.27Å; T898-V901 VanDerWaalsContact O-CG2 3.26Å; T898-V901 WeakPolarHBondContact O-CG2 3.38Å; V901-G903 VanDerWaalsContact C-N 3.32Å; V901-G903 PolarHBondContact O-N 3.48Å; V901-L904 WeakPolarHBondContact O-CB 3.3Å; V901-L904 PolarHBondContact O-N 3.07Å; V901-L904 VanDerWaalsContact O-N 3.13Å; V901-V905 WeakPolarHBondContact O-CG2 3.39Å; V901-V905 PolarHBondContact O-N 3.14Å; V901-L927 HydrophobicContact CG1-CD1 4.16Å
902	V	98.9	Very high	98.5	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-68.6	-34	179.6	172.1	0	0	0	0	112.1	I479 E482 L483 N486 T898 A899 A900 L904 V905 C906	I479-V902 HydrophobicContact CB-CG2 4.31Å; I479-V902 HydrophobicContact CG2-CG2 3.74Å; E482-V902 HydrophobicContact CB-CB 3.81Å; E482-V902 HydrophobicContact CB-CG1 3.8Å; E482-V902 HydrophobicContact CB-CG2 3.71Å; L483-V902 HydrophobicContact CB-CG1 4.49Å; L483-V902 HydrophobicContact CD2-CG1 3.79Å; L483-V902 HydrophobicContact CG-CG1 3.9Å; L483-V902 HydrophobicContact CG-CG2 4.21Å; N486-V902 WeakPolarHBondContact ND2-CG1 3.41Å; T898-V902 WeakPolarHBondContact O-CG2 3.5Å; T898-V902 PolarHBondContact O-N 3.23Å; T898-V902 VanDerWaalsContact O-N 3.1Å; A899-V902 PolarHBondContact O-N 2.85Å; A900-V902 PolarHBondContact O-N 3.46Å; V902-L904 VanDerWaalsContact C-N 3.3Å; V902-L904 PolarHBondContact O-N 3.24Å; V902-V905 PolarHBondContact O-N 3.24Å; V902-C906 PolarHBondContact O-N 3.08Å; V902-C906 PolarHBondContact O-SG 2.84Å
903	G	98.8	Very high	98.7	Very high	0 Å²	0	3.3 Å²	3.3	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-53.7	-49.2	168.6	0	0	0	0	0	111.3	P396 A899 A900 V901 C906 L907	P396-G903 WeakPolarHBondContact CB-O 3.44Å; P396-G903 VanDerWaalsContact O-CA 3.27Å; P396-G903 WeakPolarHBondContact O-CA 3.43Å; A899-G903 PolarHBondContact O-N 2.85Å; A900-G903 PolarHBondContact O-N 2.77Å; V901-G903 VanDerWaalsContact C-N 3.32Å; V901-G903 PolarHBondContact O-N 3.48Å; G903-C906 PolarHBondContact O-N 3.11Å; G903-L907 WeakPolarHBondContact O-CG 3.45Å; G903-L907 PolarHBondContact O-N 3.46Å
904	L	98.9	Very high	98.7	Very high	6 Å²	6	5 Å²	5	3%	0.031	3%	0.026	C	C	.	.	H	α-helix	trans	-65	-41.9	177.3	-62.8	-178.6	0	0	0	113.2	F400 F426 V607 A900 V901 V902 C906 L907 E908 L927 F936	F400-L904 HydrophobicContact CD1-CD2 4.4Å; F400-L904 HydrophobicContact CD2-CD1 4.29Å; F400-L904 HydrophobicContact CD2-CD2 3.71Å; F400-L904 HydrophobicContact CD2-CG 3.78Å; F400-L904 HydrophobicContact CE2-CD1 4.02Å; F400-L904 HydrophobicContact CE2-CD2 3.85Å; F400-L904 HydrophobicContact CE2-CG 3.98Å; F400-L904 HydrophobicContact CG-CD2 4Å; F400-L904 HydrophobicContact CG-CG 4.46Å; F400-L904 HydrophobicContact CZ-CD2 4.25Å; F426-L904 HydrophobicContact CZ-CD2 3.98Å; V607-L904 HydrophobicContact CG2-CB 3.93Å; A900-L904 PolarHBondContact O-N 2.81Å; V901-L904 WeakPolarHBondContact O-CB 3.3Å; V901-L904 PolarHBondContact O-N 3.07Å; V901-L904 VanDerWaalsContact O-N 3.13Å; V902-L904 VanDerWaalsContact C-N 3.3Å; V902-L904 PolarHBondContact O-N 3.24Å; L904-C906 VanDerWaalsContact C-N 3.28Å; L904-C906 PolarHBondContact O-N 3.08Å; L904-L907 HydrophobicContact CD2-CD1 4.05Å; L904-L907 WeakPolarHBondContact O-CB 3.36Å; L904-L907 PolarHBondContact O-N 2.8Å; L904-L907 VanDerWaalsContact O-N 3.13Å; L904-E908 PolarHBondContact O-N 2.7Å; L904-L927 HydrophobicContact CD1-CD1 3.78Å; L904-L927 HydrophobicContact CD1-CD2 3.74Å; L904-L927 HydrophobicContact CD1-CG 4.07Å; L904-F936 HydrophobicContact CD1-CE1 3.77Å; L904-F936 HydrophobicContact CD1-CZ 3.9Å; L904-F936 HydrophobicContact CD2-CE1 3.86Å; L904-F936 HydrophobicContact CD2-CZ 3.85Å; L904-F936 HydrophobicContact CG-CE1 4.4Å
905	V	98.9	Very high	98.6	Very high	2 Å²	2	6.6 Å²	6.6	1%	0.012	4%	0.043	C	C	.	.	H	α-helix	trans	-55.7	-45	175.2	171.6	0	0	0	0	111.3	L483 L596 V607 V901 V902 L907 E908 L909	L483-V905 HydrophobicContact CD2-CG1 3.89Å; L596-V905 HydrophobicContact CB-CG1 3.92Å; L596-V905 HydrophobicContact CD1-CG1 4.06Å; L596-V905 HydrophobicContact CG-CG1 4.49Å; V607-V905 HydrophobicContact CB-CG2 4.4Å; V607-V905 HydrophobicContact CG1-CG2 3.81Å; V607-V905 HydrophobicContact CG2-CG2 3.76Å; V901-V905 WeakPolarHBondContact O-CG2 3.39Å; V901-V905 PolarHBondContact O-N 3.14Å; V902-V905 PolarHBondContact O-N 3.24Å; V905-L907 VanDerWaalsContact C-N 3.29Å; V905-L907 PolarHBondContact O-N 3.06Å; V905-E908 PolarHBondContact O-N 2.98Å; V905-L909 PolarHBondContact O-N 2.97Å
906	C	98.9	Very high	98.5	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-74.5	-18.7	-177.7	-62.7	0	0	0	0	113.2	P396 N486 I490 V902 G903 L904 L909 Y910	P396-C906 HydrophobicContact CB-CB 3.8Å; P396-C906 HydrophobicContact CG-CB 3.51Å; N486-C906 VanDerWaalsContact CB-SG 3.56Å; I490-C906 HydrophobicContact CD1-CB 4Å; V902-C906 PolarHBondContact O-N 3.08Å; V902-C906 PolarHBondContact O-SG 2.84Å; G903-C906 PolarHBondContact O-N 3.11Å; L904-C906 VanDerWaalsContact C-N 3.28Å; L904-C906 PolarHBondContact O-N 3.08Å; C906-L909 WeakPolarHBondContact O-CB 3.2Å; C906-Y910 PolarHBondContact O-N 2.88Å
907	L	98.9	Very high	98.5	Very high	3 Å²	3	14.3 Å²	14.3	2%	0.016	7%	0.072	C	C	.	.	H	α-helix	trans	-69.5	-43.6	168.1	-67.4	171.8	0	0	0	110.9	L194 P396 I397 F426 A428 C431 G903 L904 V905 L909 Y910	L194-L907 HydrophobicContact CD2-CD2 4.4Å; P396-L907 HydrophobicContact CB-CD2 3.82Å; P396-L907 HydrophobicContact CB-CG 3.94Å; I397-L907 HydrophobicContact CD1-CD1 3.91Å; I397-L907 HydrophobicContact CD1-CD2 3.79Å; I397-L907 HydrophobicContact CD1-CG 4.46Å; I397-L907 HydrophobicContact CG1-CD2 4.01Å; F426-L907 HydrophobicContact CE1-CD1 3.93Å; F426-L907 HydrophobicContact CZ-CD1 4.04Å; A428-L907 HydrophobicContact CB-CD1 3.76Å; A428-L907 HydrophobicContact CB-CD2 3.99Å; A428-L907 HydrophobicContact CB-CG 4.36Å; C431-L907 PolarHBondContact SG-O 3.39Å; C431-L907 VanDerWaalsContact SG-O 3.42Å; G903-L907 WeakPolarHBondContact O-CG 3.45Å; G903-L907 PolarHBondContact O-N 3.46Å; L904-L907 HydrophobicContact CD2-CD1 4.05Å; L904-L907 WeakPolarHBondContact O-CB 3.36Å; L904-L907 PolarHBondContact O-N 2.8Å; L904-L907 VanDerWaalsContact O-N 3.13Å; V905-L907 VanDerWaalsContact C-N 3.29Å; V905-L907 PolarHBondContact O-N 3.06Å; L907-L909 VanDerWaalsContact C-N 3.3Å; L907-L909 PolarHBondContact O-N 3.16Å; L907-Y910 HydrophobicContact CD2-CD2 4.43Å; L907-Y910 HydrophobicContact CD2-CE2 4.41Å; L907-Y910 PolarHBondContact O-N 3.06Å
908	E	98.9	Very high	98.4	Very high	12 Å²	12	19.5 Å²	19.5	6%	0.056	10%	0.096	C	C	.	.	H	α-helix	trans	-65.8	-33.4	174.4	-58.5	-51.9	129.4	0	0	111.9	L596 V609 L904 V905 Y910 K911 V912 Y922 K923	L596-E908 HydrophobicContact CD2-CB 4.15Å; V609-E908 HydrophobicContact CB-CB 4.44Å; L904-E908 PolarHBondContact O-N 2.7Å; V905-E908 PolarHBondContact O-N 2.98Å; E908-Y910 VanDerWaalsContact C-N 3.27Å; E908-Y910 PolarHBondContact O-N 3.17Å; E908-K911 WeakPolarHBondContact O-CB 3Å; E908-K911 PolarHBondContact O-N 3.24Å; E908-K911 IonicContact OE1-NZ 2.74Å; E908-K911 PolarHBondContact OE1-NZ 3.47Å; E908-K911 VanDerWaalsContact OE2-CD 3.3Å; E908-K911 WeakPolarHBondContact OE2-CD 3.46Å; E908-K911 WeakPolarHBondContact OE2-CE 3.35Å; E908-K911 IonicContact OE2-NZ 2.84Å; E908-K911 PolarHBondContact OE2-NZ 3.44Å; E908-V912 PolarHBondContact O-N 3.26Å; E908-V912 VanDerWaalsContact O-N 3.07Å; E908-Y922 WeakPolarHBondContact OE2-CA 3.17Å; E908-K923 PolarHBondContact OE2-N 3.43Å; E908-K923 VanDerWaalsContact OE2-N 3.13Å
909	L	98.9	Very high	98.3	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-54.1	-41.5	172.8	174.7	63.9	0	0	0	112.5	Y471 F487 I490 L492 L596 V905 C906 L907 K911 V912 V913	Y471-L909 HydrophobicContact CD1-CD1 4.41Å; Y471-L909 HydrophobicContact CE1-CD1 3.51Å; Y471-L909 HydrophobicContact CE2-CD1 4.04Å; Y471-L909 WeakPolarHBondContact OH-CD1 3.41Å; F487-L909 HydrophobicContact CD1-CD2 4.11Å; F487-L909 HydrophobicContact CE1-CD2 3.76Å; I490-L909 HydrophobicContact CD1-CD2 4.27Å; L492-L909 HydrophobicContact CD1-CD2 4.46Å; L492-L909 HydrophobicContact CD2-CD2 4.16Å; L596-L909 HydrophobicContact CD1-CB 3.79Å; L596-L909 HydrophobicContact CD1-CD1 3.95Å; L596-L909 HydrophobicContact CD1-CG 4.42Å; V905-L909 PolarHBondContact O-N 2.97Å; C906-L909 WeakPolarHBondContact O-CB 3.2Å; L907-L909 VanDerWaalsContact C-N 3.3Å; L907-L909 PolarHBondContact O-N 3.16Å; L909-K911 PolarHBondContact O-N 3.2Å; L909-V912 PolarHBondContact O-N 3.5Å; L909-V913 HydrophobicContact CD1-CG2 3.92Å; L909-V913 HydrophobicContact CG-CG2 4.36Å; L909-V913 WeakPolarHBondContact O-CG2 3.49Å; L909-V913 PolarHBondContact O-N 3.38Å
910	Y	98.7	Very high	98.2	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-58.4	-38.4	177.2	-68.7	-48.4	0	0	0	111.8	P396 C431 Q454 F458 L466 I490 C906 L907 E908 Q914	P396-Y910 HydrophobicContact CB-CE2 4.48Å; P396-Y910 WeakPolarHBondContact CD-OH 3.43Å; P396-Y910 HydrophobicContact CG-CE2 3.79Å; C431-Y910 HydrophobicContact CB-CD2 4.49Å; Q454-Y910 PolarHBondContact OE1-OH 2.91Å; F458-Y910 HydrophobicContact CD2-CE1 4.42Å; F458-Y910 HydrophobicContact CE2-CD1 4.06Å; F458-Y910 AromaticContact CE2-CD2 3.85Å; F458-Y910 HydrophobicContact CE2-CD2 3.85Å; F458-Y910 AromaticContact CE2-CE1 3.88Å; F458-Y910 HydrophobicContact CE2-CE1 3.88Å; F458-Y910 AromaticContact CE2-CE2 3.64Å; F458-Y910 HydrophobicContact CE2-CE2 3.64Å; F458-Y910 HydrophobicContact CE2-CG 4.05Å; F458-Y910 AromaticContact CE2-CZ 3.66Å; F458-Y910 HydrophobicContact CZ-CD1 4.3Å; F458-Y910 AromaticContact CZ-CD2 3.57Å; F458-Y910 HydrophobicContact CZ-CD2 3.57Å; F458-Y910 HydrophobicContact CZ-CE1 4.5Å; F458-Y910 AromaticContact CZ-CE2 3.78Å; F458-Y910 HydrophobicContact CZ-CE2 3.78Å; F458-Y910 AromaticContact CZ-CG 3.85Å; F458-Y910 HydrophobicContact CZ-CG 3.85Å; L466-Y910 HydrophobicContact CD1-CE1 4.28Å; I490-Y910 HydrophobicContact CD1-CE1 4.44Å; I490-Y910 HydrophobicContact CG1-CE1 4.35Å; I490-Y910 HydrophobicContact CG2-CE1 4.12Å; C906-Y910 PolarHBondContact O-N 2.88Å; L907-Y910 HydrophobicContact CD2-CD2 4.43Å; L907-Y910 HydrophobicContact CD2-CE2 4.41Å; L907-Y910 PolarHBondContact O-N 3.06Å; E908-Y910 VanDerWaalsContact C-N 3.27Å; E908-Y910 PolarHBondContact O-N 3.17Å; Y910-Q914 WeakPolarHBondContact O-CB 3.41Å; Y910-Q914 VanDerWaalsContact O-CG 3.27Å; Y910-Q914 WeakPolarHBondContact O-CG 3.36Å; Y910-Q914 PolarHBondContact O-N 2.97Å; Y910-Q914 VanDerWaalsContact O-N 3.14Å; Y910-Q914 PolarHBondContact O-NE2 3.29Å
911	K	98.6	Very high	98.1	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.009	14%	0.135	C	C	.	.	H	α-helix	trans	-69.9	-39.5	178.7	-52.8	175.8	-163.9	170.6	0	111.2	E908 L909 Q914 G915 H916 S921 Y922	E908-K911 WeakPolarHBondContact O-CB 3Å; E908-K911 PolarHBondContact O-N 3.24Å; E908-K911 IonicContact OE1-NZ 2.74Å; E908-K911 PolarHBondContact OE1-NZ 3.47Å; E908-K911 VanDerWaalsContact OE2-CD 3.3Å; E908-K911 WeakPolarHBondContact OE2-CD 3.46Å; E908-K911 WeakPolarHBondContact OE2-CE 3.35Å; E908-K911 IonicContact OE2-NZ 2.84Å; E908-K911 PolarHBondContact OE2-NZ 3.44Å; L909-K911 PolarHBondContact O-N 3.2Å; K911-Q914 PolarHBondContact O-N 3.04Å; K911-G915 PolarHBondContact O-N 3.22Å; K911-H916 HydrophobicContact CB-CB 4.29Å; K911-H916 PolarHBondContact O-N 3.05Å; K911-H916 PolarHBondContact O-ND1 2.93Å; K911-S921 WeakPolarHBondContact CD-O 3.37Å; K911-S921 VanDerWaalsContact CE-O 3.3Å; K911-S921 WeakPolarHBondContact CE-O 3.4Å; K911-S921 PolarHBondContact NZ-O 3.48Å; K911-Y922 HydrophobicContact CB-CD1 4.16Å; K911-Y922 HydrophobicContact CB-CE1 3.62Å; K911-Y922 HydrophobicContact CD-CD1 4.08Å; K911-Y922 HydrophobicContact CD-CE1 4.39Å
912	V	98.6	Very high	98.1	Very high	18 Å²	18	26.8 Å²	26.8	11%	0.109	14%	0.136	C	C	.	.	H	α-helix	trans	-59.8	-49.3	174.6	-179.8	0	0	0	0	111.4	Y471 P594 L596 V609 I611 E908 L909 Q914 G915 Y922	Y471-V912 VanDerWaalsContact OH-CG1 3.28Å; Y471-V912 WeakPolarHBondContact OH-CG1 3.25Å; P594-V912 HydrophobicContact CB-CG1 3.64Å; P594-V912 HydrophobicContact CG-CG1 3.75Å; L596-V912 HydrophobicContact CD2-CG2 4.14Å; V609-V912 HydrophobicContact CG2-CG2 4.46Å; I611-V912 HydrophobicContact CD1-CG2 3.7Å; E908-V912 PolarHBondContact O-N 3.26Å; E908-V912 VanDerWaalsContact O-N 3.07Å; L909-V912 PolarHBondContact O-N 3.5Å; V912-Q914 VanDerWaalsContact C-N 3.28Å; V912-Q914 PolarHBondContact O-N 3.04Å; V912-G915 PolarHBondContact O-N 3.3Å; V912-Y922 HydrophobicContact CG2-CE1 4.31Å
913	V	98.3	Very high	98.1	Very high	12 Å²	12	28.1 Å²	28.1	7%	0.073	14%	0.142	C	C	.	.	H	α-helix	trans	-67.8	-30	-177.3	176.7	0	0	0	0	112.2	L462 K465 L466 Q469 L909 G915	L462-V913 HydrophobicContact CD1-CG1 4.01Å; K465-V913 HydrophobicContact CB-CG1 4.03Å; L466-V913 HydrophobicContact CD2-CB 4.17Å; L466-V913 HydrophobicContact CD2-CG1 3.9Å; L466-V913 HydrophobicContact CD2-CG2 3.92Å; L466-V913 HydrophobicContact CG-CG1 4.2Å; Q469-V913 HydrophobicContact CG-CG1 4.09Å; Q469-V913 HydrophobicContact CG-CG2 3.92Å; L909-V913 HydrophobicContact CD1-CG2 3.92Å; L909-V913 HydrophobicContact CG-CG2 4.36Å; L909-V913 WeakPolarHBondContact O-CG2 3.49Å; L909-V913 PolarHBondContact O-N 3.38Å; V913-G915 VanDerWaalsContact C-N 3.34Å
914	Q	97.1	Very high	98.1	Very high	42 Å²	42	28.6 Å²	28.6	20%	0.196	14%	0.144	C	C	.	.	H	α-helix	trans	-76.3	-23.1	173.2	-73.5	173	105.7	0	0	112.8	C431 P433 L462 Y910 K911 V912 H916	C431-Q914 PolarHBondContact O-NE2 3.2Å; P433-Q914 VanDerWaalsContact CD-OE1 3.28Å; P433-Q914 VanDerWaalsContact CG-OE1 3.23Å; L462-Q914 HydrophobicContact CD1-CG 3.44Å; L462-Q914 VanDerWaalsContact CD1-CG 3.44Å; L462-Q914 HydrophobicContact CD2-CG 3.66Å; L462-Q914 HydrophobicContact CG-CG 4.2Å; Y910-Q914 WeakPolarHBondContact O-CB 3.41Å; Y910-Q914 VanDerWaalsContact O-CG 3.27Å; Y910-Q914 WeakPolarHBondContact O-CG 3.36Å; Y910-Q914 PolarHBondContact O-N 2.97Å; Y910-Q914 VanDerWaalsContact O-N 3.14Å; Y910-Q914 PolarHBondContact O-NE2 3.29Å; K911-Q914 PolarHBondContact O-N 3.04Å; V912-Q914 VanDerWaalsContact C-N 3.28Å; V912-Q914 PolarHBondContact O-N 3.04Å; Q914-H916 WeakPolarHBondContact CB-ND1 3.2Å; Q914-H916 PolarHBondContact NE2-CE1 3.05Å
915	G	96.7	Very high	98.1	Very high	36 Å²	36	28.3 Å²	28.3	37%	0.371	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.3	35.9	178	0	0	0	0	0	113.5	K911 V912 V913	K911-G915 PolarHBondContact O-N 3.22Å; V912-G915 PolarHBondContact O-N 3.3Å; V913-G915 VanDerWaalsContact C-N 3.34Å
916	H	97.7	Very high	98	Very high	5 Å²	5	32.8 Å²	32.8	2%	0.023	16%	0.163	C	C	.	.			trans	-51.3	141.2	175	-72	44.9	0	0	0	111.4	E430 L432 E434 K911 Q914 Y922	E430-H916 PolarHBondContact O-NE2 3.18Å; L432-H916 PolarHBondContact O-CE1 3.37Å; L432-H916 PolarHBondContact O-NE2 3.47Å; E434-H916 HydrophobicContact CG-CB 4.39Å; E434-H916 VanDerWaalsContact CG-CD2 3.44Å; E434-H916 WeakPolarHBondContact CG-CD2 3.4Å; E434-H916 WeakPolarHBondContact OE1-CB 3.37Å; E434-H916 IonicContact OE1-CD2 3.99Å; E434-H916 IonicContact OE1-CG 3.3Å; K911-H916 HydrophobicContact CB-CB 4.29Å; K911-H916 PolarHBondContact O-N 3.05Å; K911-H916 PolarHBondContact O-ND1 2.93Å; Q914-H916 WeakPolarHBondContact CB-ND1 3.2Å; Q914-H916 PolarHBondContact NE2-CE1 3.05Å; H916-Y922 HydrophobicContact CB-CE2 3.86Å; H916-Y922 PolarHBondContact O-OH 3.41Å
917	R	97	Very high	98	Very high	161 Å²	161	33.1 Å²	33.1	61%	0.608	16%	0.164	S	C	*	.			trans	-121.9	-7	-176.8	-64.7	-62.3	-179.3	174.3	-1.9	113.8	E434 L614	E434-R917 PolarHBondContact OE1-N 3.17Å; E434-R917 PolarHBondContact OE2-N 3.37Å; E434-R917 VanDerWaalsContact OE2-N 3.16Å; L614-R917 WeakPolarHBondContact CD1-O 3.2Å
918	Q	97.2	Very high	98	Very high	110 Å²	110	33.8 Å²	33.8	51%	0.514	17%	0.168	S	C	.	.			trans	-92.4	132	176.7	-57.3	176.8	22.4	0	0	109.5	E434 D920 S921 Y922	E434-Q918 WeakPolarHBondContact OE1-CB 3.44Å; E434-Q918 PolarHBondContact OE1-N 3.37Å; Q918-D920 VanDerWaalsContact C-N 3.3Å; Q918-D920 PolarHBondContact O-N 3.24Å; Q918-S921 WeakPolarHBondContact O-CB 3.5Å; Q918-S921 PolarHBondContact O-N 3.01Å; Q918-Y922 WeakPolarHBondContact O-CD2 3.47Å
919	L	96.9	Very high	98	Very high	32 Å²	32	33.2 Å²	33.2	17%	0.168	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-61.1	-42.3	177.9	-73.3	165.6	0	0	0	111	L614 T615 S921 Y922 E938 A941	L614-L919 HydrophobicContact CD1-CD2 3.88Å; L614-L919 HydrophobicContact CD1-CG 3.8Å; L614-L919 HydrophobicContact CD2-CD2 4.28Å; L614-L919 HydrophobicContact CG-CD2 3.63Å; L614-L919 HydrophobicContact CG-CG 4.13Å; T615-L919 HydrophobicContact CG2-CD2 3.82Å; L919-S921 PolarHBondContact O-N 2.94Å; L919-Y922 PolarHBondContact O-N 2.61Å; L919-E938 HydrophobicContact CB-CG 3.83Å; L919-E938 WeakPolarHBondContact CB-OE1 3.44Å; L919-A941 HydrophobicContact CD1-CB 3.71Å
920	D	96.5	Very high	97.9	Very high	105 Å²	105	33.2 Å²	33.2	56%	0.561	17%	0.165	S	C	*	.	G	3₁₀ helix	trans	-53.3	-23.7	178.2	-56.2	37	0	0	0	113.4	Q918 K923	Q918-D920 VanDerWaalsContact C-N 3.3Å; Q918-D920 PolarHBondContact O-N 3.24Å; D920-K923 PolarHBondContact O-NZ 3.03Å
921	S	97.6	Very high	97.8	Very high	14 Å²	14	37 Å²	37	10%	0.098	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-72.2	-37.1	174.9	-63.3	0	0	0	0	112.4	E430 E434 K911 Q918 L919	E430-S921 VanDerWaalsContact CB-O 3.28Å; E430-S921 WeakPolarHBondContact CB-O 3.47Å; E434-S921 PolarHBondContact OE1-OG 3.34Å; K911-S921 WeakPolarHBondContact CD-O 3.37Å; K911-S921 VanDerWaalsContact CE-O 3.3Å; K911-S921 WeakPolarHBondContact CE-O 3.4Å; K911-S921 PolarHBondContact NZ-O 3.48Å; Q918-S921 WeakPolarHBondContact O-CB 3.5Å; Q918-S921 PolarHBondContact O-N 3.01Å; L919-S921 PolarHBondContact O-N 2.94Å
922	Y	98.5	Very high	97.5	Very high	3 Å²	3	37.7 Å²	37.7	1%	0.012	19%	0.19	C	C	.	.			trans	-81.8	154.7	-176.5	-69.1	-79.2	0	0	0	112	V609 I611 L614 E908 K911 V912 H916 Q918 L919	V609-Y922 HydrophobicContact CG1-CD1 3.88Å; V609-Y922 HydrophobicContact CG1-CG 4.21Å; V609-Y922 HydrophobicContact CG2-CD1 3.94Å; V609-Y922 HydrophobicContact CG2-CE1 4.16Å; I611-Y922 HydrophobicContact CD1-CD1 4.47Å; I611-Y922 HydrophobicContact CD1-CE1 3.73Å; I611-Y922 HydrophobicContact CG1-CD1 4.27Å; I611-Y922 HydrophobicContact CG1-CD2 4.45Å; I611-Y922 HydrophobicContact CG1-CE1 3.8Å; I611-Y922 HydrophobicContact CG1-CE2 4.01Å; L614-Y922 HydrophobicContact CD2-CD2 4.04Å; L614-Y922 HydrophobicContact CD2-CE2 3.72Å; E908-Y922 WeakPolarHBondContact OE2-CA 3.17Å; K911-Y922 HydrophobicContact CB-CD1 4.16Å; K911-Y922 HydrophobicContact CB-CE1 3.62Å; K911-Y922 HydrophobicContact CD-CD1 4.08Å; K911-Y922 HydrophobicContact CD-CE1 4.39Å; V912-Y922 HydrophobicContact CG2-CE1 4.31Å; H916-Y922 HydrophobicContact CB-CE2 3.86Å; H916-Y922 PolarHBondContact O-OH 3.41Å; Q918-Y922 WeakPolarHBondContact O-CD2 3.47Å; L919-Y922 PolarHBondContact O-N 2.61Å
923	K	98.6	Very high	97.5	Very high	27 Å²	27	41 Å²	41	12%	0.117	20%	0.203	C	C	.	.			trans	-140.1	122.7	177	-63	-73.2	164.9	-86.3	0	110.7	E908 D920 F936	E908-K923 PolarHBondContact OE2-N 3.43Å; E908-K923 VanDerWaalsContact OE2-N 3.13Å; D920-K923 PolarHBondContact O-NZ 3.03Å; K923-F936 HydrophobicContact CB-CB 4.41Å; K923-F936 HydrophobicContact CB-CD1 4.09Å; K923-F936 HydrophobicContact CD-CB 4.07Å
924	N	98.5	Very high	97.5	Very high	10 Å²	10	40.5 Å²	40.5	5%	0.053	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	134.2	158.6	-67.9	-15.8	0	0	0	108	V607 Q608 V609 F926 F936 S937	V607-N924 CarbonylContact O-C 3.56Å; V607-N924 VanDerWaalsContact O-CA 3.25Å; V607-N924 WeakPolarHBondContact O-CA 3.06Å; V607-N924 WeakPolarHBondContact O-CB 3.16Å; Q608-N924 WeakPolarHBondContact CA-OD1 3.47Å; V609-N924 PolarHBondContact N-OD1 2.8Å; N924-F926 HydrophobicContact CB-CE2 4.19Å; N924-F926 HydrophobicContact CB-CZ 4.5Å; N924-F936 CarbonylContact O-C 3.45Å; N924-F936 VanDerWaalsContact O-CA 3.26Å; N924-F936 WeakPolarHBondContact O-CA 3.35Å; N924-S937 PolarHBondContact N-O 3.48Å; N924-S937 PolarHBondContact O-N 2.88Å
925	G	98.2	Very high	97.5	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.01	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	141.7	-175.1	0	0	0	0	0	112.3	N606 V607	N606-G925 CarbonylContact C-O 3.57Å; N606-G925 WeakPolarHBondContact CA-O 3.29Å; V607-G925 PolarHBondContact N-O 3.22Å; V607-G925 PolarHBondContact O-N 3.14Å
926	F	98.4	Very high	97.6	Very high	96 Å²	96	38.8 Å²	38.8	42%	0.421	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	125.6	177.7	-56.9	-87.4	0	0	0	109.5	N606 N924 F933 F934 G935	N606-F926 HydrophobicContact CB-CD1 4.09Å; N606-F926 HydrophobicContact CB-CE1 4.37Å; N924-F926 HydrophobicContact CB-CE2 4.19Å; N924-F926 HydrophobicContact CB-CZ 4.5Å; F926-F933 HydrophobicContact CB-CE1 4.36Å; F926-F934 WeakPolarHBondContact O-CA 3.4Å; F926-G935 PolarHBondContact N-O 2.93Å; F926-G935 PolarHBondContact O-N 2.77Å
927	L	98.2	Very high	97.6	Very high	7 Å²	7	41 Å²	41	4%	0.037	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	144.2	-174.7	-42.4	-179.4	0	0	0	110.7	F400 K604 G605 A900 V901 L904 F933 F934	F400-L927 HydrophobicContact CE2-CD1 4.14Å; F400-L927 HydrophobicContact CE2-CD2 4.45Å; K604-L927 CarbonylContact C-O 3.51Å; K604-L927 VanDerWaalsContact CA-O 3.25Å; K604-L927 WeakPolarHBondContact CA-O 3.42Å; G605-L927 PolarHBondContact N-O 2.9Å; G605-L927 PolarHBondContact O-N 2.82Å; A900-L927 HydrophobicContact CB-CD1 4.13Å; V901-L927 HydrophobicContact CG1-CD1 4.16Å; L904-L927 HydrophobicContact CD1-CD1 3.78Å; L904-L927 HydrophobicContact CD1-CD2 3.74Å; L904-L927 HydrophobicContact CD1-CG 4.07Å; L927-F933 CarbonylContact C-O 3.5Å; L927-F933 WeakPolarHBondContact CA-O 3.26Å; L927-F934 HydrophobicContact CD2-CB 4.36Å; L927-F934 HydrophobicContact CD2-CD1 3.62Å; L927-F934 HydrophobicContact CD2-CE1 4.45Å; L927-F934 HydrophobicContact CD2-CG 4.47Å
928	N	98.5	Very high	97.6	Very high	16 Å²	16	37.2 Å²	37.2	9%	0.086	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	101.8	159.2	-175.9	-0.5	0	0	0	109.8	T603 K604 A930 L931 P932 F933	T603-N928 CarbonylContact O-C 3.58Å; T603-N928 WeakPolarHBondContact O-CA 3.46Å; T603-N928 PolarHBondContact OG1-OD1 3.36Å; K604-N928 HydrophobicContact CG-CB 4.23Å; N928-A930 PolarHBondContact O-N 3.14Å; N928-A930 VanDerWaalsContact O-N 3.09Å; N928-A930 WeakPolarHBondContact OD1-CB 3.38Å; N928-A930 PolarHBondContact OD1-N 3.28Å; N928-A930 VanDerWaalsContact OD1-N 3.12Å; N928-L931 HydrophobicContact CB-CD1 4.38Å; N928-L931 HydrophobicContact CB-CG 4.48Å; N928-L931 PolarHBondContact O-N 2.86Å; N928-P932 CarbonylContact O-C 3.58Å; N928-P932 VanDerWaalsContact O-CA 3.27Å; N928-P932 WeakPolarHBondContact O-CA 3.37Å; N928-F933 HydrophobicContact CB-CB 4.37Å; N928-F933 PolarHBondContact N-O 3.01Å; N928-F933 PolarHBondContact O-N 3.33Å
929	L	98.6	Very high	97.6	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-9.9	-175.2	-50.3	-171.4	0	0	0	113.7	L404 Q407 K411 T603 F934	L404-L929 HydrophobicContact CD2-CD1 4.27Å; L404-L929 HydrophobicContact CD2-CD2 3.39Å; L404-L929 HydrophobicContact CD2-CG 4.48Å; Q407-L929 HydrophobicContact CB-CD1 4.07Å; Q407-L929 HydrophobicContact CG-CB 3.9Å; Q407-L929 HydrophobicContact CG-CD1 4.04Å; K411-L929 WeakPolarHBondContact CE-O 3.17Å; K411-L929 PolarHBondContact NZ-O 3.47Å; T603-L929 PolarHBondContact O-N 2.83Å; L929-F934 HydrophobicContact CD2-CE1 3.74Å; L929-F934 HydrophobicContact CD2-CZ 4.1Å
930	A	98	Very high	97.6	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-20.9	178.5	0	0	0	0	0	114.2	N212 F417 M418 T603 N928	N212-A930 VanDerWaalsContact O-CB 3.32Å; N212-A930 WeakPolarHBondContact O-CB 3.29Å; F417-A930 HydrophobicContact CB-CB 4.22Å; F417-A930 WeakPolarHBondContact CB-O 3.3Å; F417-A930 HydrophobicContact CD1-CB 3.37Å; F417-A930 HydrophobicContact CE1-CB 3.8Å; F417-A930 HydrophobicContact CG-CB 3.84Å; M418-A930 PolarHBondContact N-O 2.97Å; T603-A930 HydrophobicContact CG2-CB 4.12Å; T603-A930 WeakPolarHBondContact OG1-CB 3.2Å; N928-A930 PolarHBondContact O-N 3.14Å; N928-A930 VanDerWaalsContact O-N 3.09Å; N928-A930 WeakPolarHBondContact OD1-CB 3.38Å; N928-A930 PolarHBondContact OD1-N 3.28Å; N928-A930 VanDerWaalsContact OD1-N 3.12Å
931	L	96.3	Very high	97.7	Very high	79 Å²	79	32.9 Å²	32.9	41%	0.414	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-38.8	-172.8	-62.9	-179.8	0	0	0	115.4	N212 M418 N928 F933	N212-L931 HydrophobicContact CB-CD2 3.88Å; M418-L931 WeakPolarHBondContact CB-O 3.25Å; M418-L931 WeakPolarHBondContact CG-O 3.19Å; N928-L931 HydrophobicContact CB-CD1 4.38Å; N928-L931 HydrophobicContact CB-CG 4.48Å; N928-L931 PolarHBondContact O-N 2.86Å; L931-F933 HydrophobicContact CB-CB 4.19Å; L931-F933 HydrophobicContact CD1-CB 3.93Å
932	P	92.3	Very high	97.7	Very high	17 Å²	17	32.6 Å²	32.6	11%	0.11	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	cis	-77.1	134.1	-25.2	31.8	-27	0	0	0	112.4	M418 I420 N928 F934	M418-P932 WeakPolarHBondContact O-CD 3.23Å; I420-P932 HydrophobicContact CB-CG 4.45Å; I420-P932 HydrophobicContact CG1-CB 4.36Å; I420-P932 HydrophobicContact CG1-CG 3.53Å; N928-P932 CarbonylContact O-C 3.58Å; N928-P932 VanDerWaalsContact O-CA 3.27Å; N928-P932 WeakPolarHBondContact O-CA 3.37Å; P932-F934 HydrophobicContact CB-CE2 3.91Å; P932-F934 HydrophobicContact CB-CZ 4.12Å; P932-F934 HydrophobicContact CG-CE2 4.47Å
933	F	98.1	Very high	97.5	Very high	87 Å²	87	35.4 Å²	35.4	38%	0.382	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	139.2	-179.5	169.1	-100.1	0	0	0	111.1	F320 F926 L927 N928 L931	F320-F933 AromaticContact CE2-CE2 3.97Å; F320-F933 HydrophobicContact CE2-CE2 3.97Å; F926-F933 HydrophobicContact CB-CE1 4.36Å; L927-F933 CarbonylContact C-O 3.5Å; L927-F933 WeakPolarHBondContact CA-O 3.26Å; N928-F933 HydrophobicContact CB-CB 4.37Å; N928-F933 PolarHBondContact N-O 3.01Å; N928-F933 PolarHBondContact O-N 3.33Å; L931-F933 HydrophobicContact CB-CB 4.19Å; L931-F933 HydrophobicContact CD1-CB 3.93Å
934	F	98.3	Very high	97.4	Very high	1 Å²	1	42 Å²	42	0%	0.004	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	128.5	175.1	-50.2	-83.6	0	0	0	107.7	V316 T318 F400 L404 L424 F926 L927 L929 P932	V316-F934 HydrophobicContact CG1-CE2 4.46Å; T318-F934 CarbonylContact O-C 3.59Å; T318-F934 VanDerWaalsContact O-CB 3.25Å; T318-F934 WeakPolarHBondContact O-CB 3.13Å; F400-F934 HydrophobicContact CE2-CD1 4.49Å; F400-F934 HydrophobicContact CZ-CD1 4.19Å; F400-F934 HydrophobicContact CZ-CE1 4.38Å; L404-F934 HydrophobicContact CD1-CE1 3.67Å; L404-F934 HydrophobicContact CD1-CZ 3.73Å; L404-F934 HydrophobicContact CD2-CE1 3.56Å; L404-F934 HydrophobicContact CD2-CZ 3.96Å; L404-F934 HydrophobicContact CG-CE1 4.27Å; L404-F934 HydrophobicContact CG-CZ 4.44Å; L424-F934 HydrophobicContact CD1-CD2 3.95Å; L424-F934 HydrophobicContact CD1-CE2 3.34Å; L424-F934 HydrophobicContact CD1-CZ 3.81Å; F926-F934 WeakPolarHBondContact O-CA 3.4Å; L927-F934 HydrophobicContact CD2-CB 4.36Å; L927-F934 HydrophobicContact CD2-CD1 3.62Å; L927-F934 HydrophobicContact CD2-CE1 4.45Å; L927-F934 HydrophobicContact CD2-CG 4.47Å; L929-F934 HydrophobicContact CD2-CE1 3.74Å; L929-F934 HydrophobicContact CD2-CZ 4.1Å; P932-F934 HydrophobicContact CB-CE2 3.91Å; P932-F934 HydrophobicContact CB-CZ 4.12Å; P932-F934 HydrophobicContact CG-CE2 4.47Å
935	G	97.7	Very high	97.1	Very high	9 Å²	9	45.1 Å²	45.1	9%	0.093	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	137.3	177.9	0	0	0	0	0	110	F926	F926-G935 PolarHBondContact N-O 2.93Å; F926-G935 PolarHBondContact O-N 2.77Å
936	F	98.5	Very high	96.7	Very high	33 Å²	33	52 Å²	52	15%	0.145	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	140.2	175.9	-62.8	-89.8	0	0	0	109.5	T318 D319 F426 L904 K923 N924	T318-F936 VanDerWaalsContact O-CD2 3.26Å; T318-F936 WeakPolarHBondContact O-CD2 3.35Å; T318-F936 VanDerWaalsContact O-CE2 3.27Å; T318-F936 WeakPolarHBondContact O-CE2 3.47Å; D319-F936 HydrophobicContact CB-CD2 3.82Å; F426-F936 AromaticContact CE2-CE2 3.91Å; F426-F936 HydrophobicContact CE2-CE2 3.91Å; F426-F936 AromaticContact CE2-CZ 3.71Å; F426-F936 HydrophobicContact CE2-CZ 3.71Å; F426-F936 HydrophobicContact CZ-CZ 4.37Å; L904-F936 HydrophobicContact CD1-CE1 3.77Å; L904-F936 HydrophobicContact CD1-CZ 3.9Å; L904-F936 HydrophobicContact CD2-CE1 3.86Å; L904-F936 HydrophobicContact CD2-CZ 3.85Å; L904-F936 HydrophobicContact CG-CE1 4.4Å; K923-F936 HydrophobicContact CB-CB 4.41Å; K923-F936 HydrophobicContact CB-CD1 4.09Å; K923-F936 HydrophobicContact CD-CB 4.07Å; N924-F936 CarbonylContact O-C 3.45Å; N924-F936 VanDerWaalsContact O-CA 3.26Å; N924-F936 WeakPolarHBondContact O-CA 3.35Å
937	S	97.5	Very high	96.2	Very high	51 Å²	51	48.4 Å²	48.4	36%	0.357	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	147.2	175.1	62.7	0	0	0	0	109.9	N924	N924-S937 PolarHBondContact N-O 3.48Å; N924-S937 PolarHBondContact O-N 2.88Å
938	E	97.4	Very high	95.5	Very high	82 Å²	82	51 Å²	51	38%	0.383	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-56.9	138.8	165.2	-169.2	-177.9	138.4	0	0	110	L919	L919-E938 HydrophobicContact CB-CG 3.83Å; L919-E938 WeakPolarHBondContact CB-OE1 3.44Å
939	P	97.8	Very high	94.8	Very high	3 Å²	3	57.9 Å²	57.9	2%	0.019	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-60.8	142.8	170.3	-19.2	31	0	0	0	110.8	V609 T615 A941	V609-P939 HydrophobicContact CG1-CG 3.69Å; T615-P939 HydrophobicContact CG2-CB 3.66Å; T615-P939 HydrophobicContact CG2-CG 4.24Å; P939-A941 PolarHBondContact O-N 3.49Å
940	L	97.2	Very high	94.3	Very high	111 Å²	111	63.4 Å²	63.4	58%	0.581	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-65.8	139.3	174.1	-60.2	178.3	0	0	0	110	T615 E616	T615-L940 CarbonylContact C-O 3.47Å; T615-L940 VanDerWaalsContact CA-O 3.29Å; T615-L940 WeakPolarHBondContact CA-O 3.29Å; E616-L940 HydrophobicContact CG-CB 4.11Å; E616-L940 PolarHBondContact N-O 3Å
941	A	97.9	Very high	94	Very high	42 Å²	42	69 Å²	69	35%	0.347	35%	0.345	S	S	.	.	B	Isolated β-bridge	trans	-61.8	148.9	172.7	0	0	0	0	0	110.5	L614 L919 P939	L614-A941 WeakPolarHBondContact O-CA 3.35Å; L919-A941 HydrophobicContact CD1-CB 3.71Å; P939-A941 PolarHBondContact O-N 3.49Å
942	A	97.1	Very high	93.9	Very high	8 Å²	8	66.2 Å²	66.2	7%	0.066	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-57.3	129.4	170.6	0	0	0	0	0	109.8	L614 T615 R944 T953	L614-A942 PolarHBondContact O-N 2.96Å; T615-A942 WeakPolarHBondContact O-CB 3.44Å; A942-R944 PolarHBondContact O-N 3.28Å; A942-T953 HydrophobicContact CB-CG2 4.32Å
943	P	95.3	Very high	94.1	Very high	63 Å²	63	66.1 Å²	66.1	41%	0.409	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-54.4	132.5	175.1	-27.1	35.2	0	0	0	111.2	T953	P943-T953 WeakPolarHBondContact O-CA 3.39Å
944	R	95.4	Very high	93.9	Very high	164 Å²	164	64.2 Å²	64.2	62%	0.619	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.9	119.2	176.7	-75.4	171.1	161.4	111.9	6.9	109.3	A942 E951 W952 T953	A942-R944 PolarHBondContact O-N 3.28Å; R944-E951 HydrophobicContact CB-CG 4Å; R944-E951 WeakPolarHBondContact CD-OE1 3.45Å; R944-E951 WeakPolarHBondContact CD-OE2 3.47Å; R944-E951 HydrophobicContact CG-CG 4.13Å; R944-E951 WeakPolarHBondContact CG-OE1 3.43Å; R944-E951 IonicContact CZ-OE1 3.37Å; R944-E951 IonicContact NE-OE1 2.76Å; R944-E951 PolarHBondContact NE-OE1 2.65Å; R944-E951 IonicContact NE-OE2 3.87Å; R944-W952 WeakPolarHBondContact CA-O 3.4Å; R944-T953 HydrophobicContact CG-CG2 3.78Å
945	H	93	Very high	93.9	Very high	77 Å²	77	64.2 Å²	64.2	36%	0.356	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	164.1	173.7	-58	162.9	0	0	0	108.9	E951 W952 E1049	H945-E951 CarbonylContact O-C 3.54Å; H945-E951 WeakPolarHBondContact O-CA 3.35Å; H945-W952 HydrophobicContact CB-CD2 4.45Å; H945-W952 HydrophobicContact CB-CZ2 4.17Å; H945-W952 PolarHBondContact N-O 2.82Å; H945-W952 AromaticContact ND1-CZ2 3.65Å; H945-W952 PolarHBondContact O-N 2.79Å; H945-E1049 IonicContact ND1-OE2 2.69Å
946	Q	90.1	Very high	93.8	Very high	145 Å²	145	66.2 Å²	66.2	68%	0.678	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.2	140.3	179.5	63.8	-176.5	-3	0	0	111	Q950	Q946-Q950 WeakPolarHBondContact CA-O 3.37Å
947	Y	87.9	Confident	93.7	Very high	20 Å²	20	65.5 Å²	65.5	8%	0.078	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	121.9	161.3	61.1	-81.7	0	0	0	107.2	N949 Q950 W952 F958 L985 V1050 P1051	Y947-N949 PolarHBondContact O-N 2.84Å; Y947-N949 VanDerWaalsContact O-N 3.14Å; Y947-Q950 HydrophobicContact CD1-CB 4.43Å; Y947-Q950 HydrophobicContact CD2-CB 4.32Å; Y947-Q950 HydrophobicContact CE1-CB 3.94Å; Y947-Q950 HydrophobicContact CE2-CB 3.82Å; Y947-Q950 HydrophobicContact CE2-CG 4.07Å; Y947-Q950 PolarHBondContact N-O 2.98Å; Y947-Q950 PolarHBondContact O-N 3.41Å; Y947-W952 AromaticContact CD1-CD1 3.65Å; Y947-W952 HydrophobicContact CD1-CG 4.5Å; Y947-W952 HydrophobicContact CE1-CB 4.46Å; Y947-W952 AromaticContact CE1-CD1 3.91Å; Y947-W952 HydrophobicContact CE1-CG 4.36Å; Y947-F958 HydrophobicContact CE1-CZ 4.28Å; Y947-F958 HydrophobicContact CE2-CZ 4.39Å; Y947-F958 AromaticContact CZ-CZ 3.8Å; Y947-F958 WeakPolarHBondContact OH-CE1 3.44Å; Y947-F958 WeakPolarHBondContact OH-CZ 3.46Å; Y947-L985 HydrophobicContact CD2-CD1 4.11Å; Y947-L985 HydrophobicContact CD2-CD2 3.91Å; Y947-L985 HydrophobicContact CD2-CG 4.33Å; Y947-L985 HydrophobicContact CE2-CD1 4Å; Y947-L985 HydrophobicContact CE2-CG 4.48Å; Y947-V1050 HydrophobicContact CD1-CG1 3.97Å; Y947-V1050 HydrophobicContact CD2-CG1 4.4Å; Y947-V1050 HydrophobicContact CG-CG1 3.89Å; Y947-P1051 HydrophobicContact CE1-CG 4.4Å
948	Y	81.9	Confident	93.7	Very high	63 Å²	63	63.7 Å²	63.7	25%	0.247	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.1	-110.8	-165.3	-50.7	-88.4	0	0	0	114.1	K984 L985 D1042 E1043	Y948-K984 HydrophobicContact CE2-CB 4.45Å; Y948-K984 WeakPolarHBondContact CE2-O 3.21Å; Y948-K984 PolarHBondContact OH-O 3.19Å; Y948-L985 HydrophobicContact CE2-CD2 3.89Å; Y948-D1042 HydrophobicContact CD1-CB 4.25Å; Y948-D1042 HydrophobicContact CD2-CB 4.33Å; Y948-D1042 HydrophobicContact CE1-CB 3.65Å; Y948-D1042 HydrophobicContact CE2-CB 3.75Å; Y948-D1042 VanDerWaalsContact CZ-CB 3.43Å; Y948-D1042 VanDerWaalsContact OH-CA 3.28Å; Y948-D1042 WeakPolarHBondContact OH-CA 3.45Å; Y948-E1043 HydrophobicContact CE1-CB 3.62Å; Y948-E1043 HydrophobicContact CE1-CG 4.01Å; Y948-E1043 WeakPolarHBondContact OH-CA 3.44Å; Y948-E1043 WeakPolarHBondContact OH-CB 3.29Å; Y948-E1043 WeakPolarHBondContact OH-CG 3.2Å; Y948-E1043 PolarHBondContact OH-N 2.9Å
949	N	83.9	Confident	93.6	Very high	159 Å²	159	63.7 Å²	63.7	85%	0.85	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.4	4.3	179.8	-62.6	-38.8	0	0	0	111	Y947	Y947-N949 PolarHBondContact O-N 2.84Å; Y947-N949 VanDerWaalsContact O-N 3.14Å
950	Q	88.6	Confident	93.6	Very high	118 Å²	118	63.7 Å²	63.7	55%	0.551	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.7	112.3	178.1	-61.8	-70.4	16.2	0	0	108.7	Q946 Y947	Q946-Q950 WeakPolarHBondContact CA-O 3.37Å; Y947-Q950 HydrophobicContact CD1-CB 4.43Å; Y947-Q950 HydrophobicContact CD2-CB 4.32Å; Y947-Q950 HydrophobicContact CE1-CB 3.94Å; Y947-Q950 HydrophobicContact CE2-CB 3.82Å; Y947-Q950 HydrophobicContact CE2-CG 4.07Å; Y947-Q950 PolarHBondContact N-O 2.98Å; Y947-Q950 PolarHBondContact O-N 3.41Å
951	E	91.9	Very high	93.5	Very high	118 Å²	118	64.9 Å²	64.9	55%	0.551	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79	142.8	170.2	-173.5	177.8	97	0	0	109.6	R944 H945	R944-E951 HydrophobicContact CB-CG 4Å; R944-E951 WeakPolarHBondContact CD-OE1 3.45Å; R944-E951 WeakPolarHBondContact CD-OE2 3.47Å; R944-E951 HydrophobicContact CG-CG 4.13Å; R944-E951 WeakPolarHBondContact CG-OE1 3.43Å; R944-E951 IonicContact CZ-OE1 3.37Å; R944-E951 IonicContact NE-OE1 2.76Å; R944-E951 PolarHBondContact NE-OE1 2.65Å; R944-E951 IonicContact NE-OE2 3.87Å; H945-E951 CarbonylContact O-C 3.54Å; H945-E951 WeakPolarHBondContact O-CA 3.35Å
952	W	94.5	Very high	93.3	Very high	20 Å²	20	62.9 Å²	62.9	8%	0.076	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	160.2	173	76.3	-80.9	0	0	0	111.4	R944 H945 Y947 D956 E1049 P1051	R944-W952 WeakPolarHBondContact CA-O 3.4Å; H945-W952 HydrophobicContact CB-CD2 4.45Å; H945-W952 HydrophobicContact CB-CZ2 4.17Å; H945-W952 PolarHBondContact N-O 2.82Å; H945-W952 AromaticContact ND1-CZ2 3.65Å; H945-W952 PolarHBondContact O-N 2.79Å; Y947-W952 AromaticContact CD1-CD1 3.65Å; Y947-W952 HydrophobicContact CD1-CG 4.5Å; Y947-W952 HydrophobicContact CE1-CB 4.46Å; Y947-W952 AromaticContact CE1-CD1 3.91Å; Y947-W952 HydrophobicContact CE1-CG 4.36Å; W952-D956 WeakPolarHBondContact CA-OD2 3.49Å; W952-D956 HydrophobicContact CB-CB 4.12Å; W952-E1049 HydrophobicContact CZ2-CB 4.47Å; W952-E1049 HydrophobicContact CZ2-CG 3.98Å; W952-E1049 PolarHBondContact NE1-O 3.14Å; W952-P1051 HydrophobicContact CB-CG 3.68Å; W952-P1051 HydrophobicContact CD2-CB 4.28Å; W952-P1051 VanDerWaalsContact CD2-CD 3.46Å; W952-P1051 HydrophobicContact CD2-CG 3.49Å; W952-P1051 VanDerWaalsContact CD2-CG 3.49Å; W952-P1051 HydrophobicContact CE3-CB 3.83Å; W952-P1051 HydrophobicContact CE3-CG 3.51Å; W952-P1051 HydrophobicContact CG-CG 3.57Å; W952-P1051 HydrophobicContact CZ3-CB 4.25Å; W952-P1051 HydrophobicContact CZ3-CG 4.34Å
953	T	95.7	Very high	93	Very high	15 Å²	15	66.2 Å²	66.2	9%	0.092	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	169.6	178.4	65.3	0	0	0	0	110.6	A942 P943 R944 W955 D956	A942-T953 HydrophobicContact CB-CG2 4.32Å; P943-T953 WeakPolarHBondContact O-CA 3.39Å; R944-T953 HydrophobicContact CG-CG2 3.78Å; T953-W955 PolarHBondContact O-N 3.31Å; T953-W955 PolarHBondContact OG1-N 3.12Å; T953-D956 PolarHBondContact N-OD2 3.46Å; T953-D956 WeakPolarHBondContact O-CB 3.25Å; T953-D956 PolarHBondContact O-N 2.74Å; T953-D956 PolarHBondContact OG1-OD2 2.97Å
954	L	95.2	Very high	92.9	Very high	47 Å²	47	65.3 Å²	65.3	25%	0.246	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-34.7	-34.7	165.3	158.8	76.5	0	0	0	115.4	V589	V589-L954 HydrophobicContact CG1-CD1 3.73Å; V589-L954 HydrophobicContact CG1-CG 4.18Å; V589-L954 HydrophobicContact CG2-CD1 4.12Å
955	W	97.2	Very high	92.6	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-16.8	-173.2	-62.5	101.7	0	0	0	114.3	V589 V610 P612 F613 T615 T953	V589-W955 HydrophobicContact CB-CZ3 4.26Å; V589-W955 HydrophobicContact CG1-CE3 4.42Å; V589-W955 HydrophobicContact CG2-CH2 4Å; V589-W955 HydrophobicContact CG2-CZ2 4.48Å; V589-W955 HydrophobicContact CG2-CZ3 4.1Å; V610-W955 HydrophobicContact CG1-CH2 3.71Å; V610-W955 HydrophobicContact CG1-CZ2 3.61Å; P612-W955 HydrophobicContact CB-CD2 4.32Å; P612-W955 HydrophobicContact CB-CE3 3.84Å; P612-W955 HydrophobicContact CB-CH2 4.25Å; P612-W955 HydrophobicContact CB-CZ3 3.77Å; P612-W955 HydrophobicContact CG-CE3 4.4Å; P612-W955 HydrophobicContact CG-CH2 4.07Å; P612-W955 HydrophobicContact CG-CZ3 3.81Å; F613-W955 HydrophobicContact CB-CB 4.49Å; F613-W955 HydrophobicContact CD1-CB 3.45Å; F613-W955 VanDerWaalsContact CD1-CB 3.45Å; F613-W955 HydrophobicContact CD1-CG 4.38Å; F613-W955 HydrophobicContact CE1-CB 3.8Å; F613-W955 WeakPolarHBondContact CE1-O 3.42Å; F613-W955 HydrophobicContact CG-CB 3.98Å; F613-W955 HydrophobicContact CG-CG 4.49Å; F613-W955 VanDerWaalsContact N-CD1 3.27Å; T615-W955 PolarHBondContact O-NE1 3.16Å; T953-W955 PolarHBondContact O-N 3.31Å; T953-W955 PolarHBondContact OG1-N 3.12Å
956	D	96.9	Very high	92.5	Very high	51 Å²	51	65.4 Å²	65.4	27%	0.273	33%	0.327	S	S	.	.			trans	-79.5	150.7	178.6	-61.3	-52.7	0	0	0	110.5	W952 T953 P1051	W952-D956 WeakPolarHBondContact CA-OD2 3.49Å; W952-D956 HydrophobicContact CB-CB 4.12Å; T953-D956 PolarHBondContact N-OD2 3.46Å; T953-D956 WeakPolarHBondContact O-CB 3.25Å; T953-D956 PolarHBondContact O-N 2.74Å; T953-D956 PolarHBondContact OG1-OD2 2.97Å; D956-P1051 HydrophobicContact CB-CG 4.44Å
957	R	96.5	Very high	92.5	Very high	19 Å²	19	60.9 Å²	60.9	7%	0.072	32%	0.32	C	S	.	.			trans	-155.6	155.2	176.2	83	-170.4	70	-173.2	3.2	109.6	V589 Y590 E959 Y1052 R1054	V589-R957 PolarHBondContact O-NH2 2.94Å; V589-R957 VanDerWaalsContact O-NH2 3.09Å; Y590-R957 VanDerWaalsContact C-NH2 3.32Å; Y590-R957 PolarHBondContact O-NH1 3.26Å; Y590-R957 PolarHBondContact O-NH2 3.44Å; R957-E959 WeakPolarHBondContact CD-OE1 3.48Å; R957-E959 HydrophobicContact CG-CG 4.36Å; R957-Y1052 CarbonylContact C-O 3.58Å; R957-Y1052 WeakPolarHBondContact CA-O 3.46Å; R957-Y1052 HydrophobicContact CB-CD1 4.25Å; R957-Y1052 HydrophobicContact CB-CD2 4.1Å; R957-Y1052 HydrophobicContact CB-CE1 3.89Å; R957-Y1052 HydrophobicContact CB-CE2 3.75Å; R957-Y1052 HydrophobicContact CB-CG 4.36Å; R957-Y1052 WeakPolarHBondContact CB-O 3.47Å; R957-Y1052 HydrophobicContact CG-CE2 4.41Å; R957-Y1052 PolarHBondContact NE-OH 3.47Å; R957-Y1052 VanDerWaalsContact NE-OH 3.11Å; R957-Y1052 PolarHBondContact NH1-OH 2.99Å; R957-Y1052 PolarHBondContact NH2-OH 3.18Å; R957-R1054 VanDerWaalsContact CD-CB 3.47Å; R957-R1054 HydrophobicContact CG-CB 4.21Å
958	F	96.9	Very high	92.8	Very high	12 Å²	12	66.4 Å²	66.4	5%	0.053	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	121.8	165.8	-62.6	-68.9	0	0	0	110	Y947 F979 H983 L985 L1038 V1050 P1051 Y1052 V1053 R1054	Y947-F958 HydrophobicContact CE1-CZ 4.28Å; Y947-F958 HydrophobicContact CE2-CZ 4.39Å; Y947-F958 AromaticContact CZ-CZ 3.8Å; Y947-F958 WeakPolarHBondContact OH-CE1 3.44Å; Y947-F958 WeakPolarHBondContact OH-CZ 3.46Å; F958-F979 HydrophobicContact CB-CE1 4.23Å; F958-F979 HydrophobicContact CB-CZ 3.93Å; F958-F979 HydrophobicContact CD1-CE1 4.12Å; F958-F979 AromaticContact CD2-CE1 3.59Å; F958-F979 HydrophobicContact CD2-CE1 3.59Å; F958-F979 HydrophobicContact CD2-CZ 4.01Å; F958-F979 HydrophobicContact CE1-CE1 4.38Å; F958-F979 AromaticContact CE2-CE1 3.85Å; F958-F979 HydrophobicContact CE2-CE1 3.85Å; F958-F979 AromaticContact CG-CE1 3.71Å; F958-F979 HydrophobicContact CG-CE1 3.71Å; F958-F979 AromaticContact CG-CZ 3.94Å; F958-F979 HydrophobicContact CG-CZ 3.94Å; F958-F979 HydrophobicContact CZ-CE1 4.25Å; F958-H983 AromaticContact CD1-CE1 3.59Å; F958-H983 AromaticContact CD1-ND1 3.69Å; F958-H983 AromaticContact CE1-CE1 3.75Å; F958-H983 AromaticContact CE1-CG 3.88Å; F958-H983 AromaticContact CE1-ND1 3.35Å; F958-H983 VanDerWaalsContact CE1-ND1 3.35Å; F958-H983 WeakPolarHBondContact CE1-ND1 3.36Å; F958-L985 HydrophobicContact CE2-CD1 4.34Å; F958-L985 HydrophobicContact CZ-CD1 3.9Å; F958-L1038 HydrophobicContact CD2-CD1 4.49Å; F958-V1050 HydrophobicContact CE2-CB 4.09Å; F958-V1050 HydrophobicContact CE2-CG2 4.3Å; F958-P1051 HydrophobicContact CD2-CB 4.12Å; F958-P1051 VanDerWaalsContact CD2-O 3.31Å; F958-P1051 WeakPolarHBondContact CD2-O 3.25Å; F958-P1051 HydrophobicContact CE2-CB 4.06Å; F958-P1051 HydrophobicContact CE2-CG 4.02Å; F958-P1051 WeakPolarHBondContact CE2-O 2.93Å; F958-P1051 HydrophobicContact CZ-CG 4.24Å; F958-Y1052 PolarHBondContact N-O 3Å; F958-V1053 HydrophobicContact CB-CB 4.43Å; F958-V1053 HydrophobicContact CB-CG1 4.21Å; F958-V1053 HydrophobicContact CB-CG2 4.15Å; F958-V1053 HydrophobicContact CD2-CG2 4.27Å; F958-V1053 CarbonylContact O-C 3.58Å; F958-V1053 WeakPolarHBondContact O-CA 3.46Å; F958-R1054 PolarHBondContact O-N 3.01Å
959	E	95.8	Very high	93.4	Very high	83 Å²	83	65 Å²	65	39%	0.388	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	117.3	171	-61.5	-71.1	179.1	0	0	108.4	R592 R957 R1054	R592-E959 IonicContact CZ-OE1 3Å; R592-E959 IonicContact NH1-OE1 2.77Å; R592-E959 PolarHBondContact NH1-OE1 3.49Å; R592-E959 IonicContact NH2-OE1 3.68Å; R957-E959 WeakPolarHBondContact CD-OE1 3.48Å; R957-E959 HydrophobicContact CG-CG 4.36Å; E959-R1054 VanDerWaalsContact OE2-CD 3.26Å; E959-R1054 WeakPolarHBondContact OE2-CD 3.49Å; E959-R1054 WeakPolarHBondContact OE2-CG 3.28Å; E959-R1054 IonicContact OE2-NE 3.59Å
960	V	96.7	Very high	94	Very high	3 Å²	3	58 Å²	58	2%	0.018	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	122.9	178.6	178.5	0	0	0	0	109.2	G962 M970 F975 Y978 F979 V1053 R1054 Y1055 T1056	V960-G962 PolarHBondContact O-N 2.86Å; V960-M970 HydrophobicContact CG1-CE 4.26Å; V960-M970 HydrophobicContact CG1-SD 3.85Å; V960-F975 HydrophobicContact CG1-CD2 4.32Å; V960-F975 HydrophobicContact CG1-CE2 4.29Å; V960-F975 HydrophobicContact CG2-CE2 4.41Å; V960-Y978 HydrophobicContact CG2-CD1 4.32Å; V960-Y978 HydrophobicContact CG2-CE1 3.74Å; V960-F979 HydrophobicContact CG2-CE2 4.18Å; V960-F979 HydrophobicContact CG2-CZ 4.32Å; V960-V1053 HydrophobicContact CB-CG1 3.93Å; V960-V1053 HydrophobicContact CG2-CG1 3.49Å; V960-V1053 VanDerWaalsContact CG2-CG1 3.49Å; V960-R1054 PolarHBondContact N-O 2.9Å; V960-Y1055 HydrophobicContact CB-CD2 4.2Å; V960-Y1055 HydrophobicContact CG1-CD2 3.79Å; V960-Y1055 HydrophobicContact CG1-CE2 4.13Å; V960-T1056 PolarHBondContact O-N 3.15Å; V960-T1056 PolarHBondContact O-OG1 2.94Å
961	Q	95.4	Very high	94.4	Very high	135 Å²	135	53.6 Å²	53.6	63%	0.631	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.6	111.8	173.7	-167.2	173.8	14.3	0	0	109.5	Q964 T1056	Q961-Q964 PolarHBondContact O-NE2 3.43Å; Q961-T1056 WeakPolarHBondContact CA-OG1 3.41Å
962	G	93.2	Very high	94.7	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.26	C	S	.	.			trans	-70.6	-42.7	-177.4	0	0	0	0	0	112.6	V960 Q964 E969 M970 Y1055 T1056	V960-G962 PolarHBondContact O-N 2.86Å; G962-Q964 PolarHBondContact O-N 3.43Å; G962-Q964 PolarHBondContact O-NE2 2.94Å; G962-E969 CarbonylContact O-C 3.53Å; G962-E969 WeakPolarHBondContact O-CA 3.44Å; G962-M970 WeakPolarHBondContact O-CB 3.3Å; G962-M970 PolarHBondContact O-N 3.19Å; G962-Y1055 VanDerWaalsContact CA-CE2 3.44Å; G962-Y1055 VanDerWaalsContact CA-OH 3.31Å; G962-Y1055 WeakPolarHBondContact CA-OH 3.49Å; G962-T1056 VanDerWaalsContact CA-O 3.25Å; G962-T1056 WeakPolarHBondContact CA-O 3.34Å; G962-T1056 PolarHBondContact N-O 2.69Å
963	L	92.3	Very high	94.8	Very high	78 Å²	78	52.1 Å²	52.1	41%	0.408	28%	0.278	S	S	.	.	B	Isolated β-bridge	trans	-74.1	119.9	176.5	-163.2	73.6	0	0	0	110.8	G967	L963-G967 WeakPolarHBondContact CD1-O 3.49Å
964	Q	91.8	Very high	94.8	Very high	45 Å²	45	55.2 Å²	55.2	21%	0.21	29%	0.291	C	S	.	.			trans	-83.8	163.1	179.3	-59.3	-55.4	-71.9	0	0	111.1	Q961 G962 N966 G967 E968 M970	Q961-Q964 PolarHBondContact O-NE2 3.43Å; G962-Q964 PolarHBondContact O-N 3.43Å; G962-Q964 PolarHBondContact O-NE2 2.94Å; Q964-N966 WeakPolarHBondContact CB-OD1 3.39Å; Q964-N966 PolarHBondContact O-N 3.15Å; Q964-G967 PolarHBondContact O-N 3.29Å; Q964-E968 WeakPolarHBondContact CB-O 3.34Å; Q964-E968 PolarHBondContact N-O 2.89Å; Q964-M970 HydrophobicContact CG-CB 4.23Å
965	P	89.8	Confident	94.9	Very high	138 Å²	138	53 Å²	53	90%	0.896	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-21.4	179.5	-28	35.9	0	0	0	115.4	G967	P965-G967 VanDerWaalsContact C-N 3.26Å; P965-G967 PolarHBondContact O-N 3.31Å
966	N	91.5	Very high	94.9	Very high	104 Å²	104	54.1 Å²	54.1	56%	0.556	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-3.7	175.7	68.7	-11.4	0	0	0	113.5	Q964 E968	Q964-N966 WeakPolarHBondContact CB-OD1 3.39Å; Q964-N966 PolarHBondContact O-N 3.15Å; N966-E968 VanDerWaalsContact C-N 3.27Å; N966-E968 PolarHBondContact ND2-OE2 3.23Å; N966-E968 WeakPolarHBondContact OD1-CB 3.47Å; N966-E968 PolarHBondContact OD1-N 2.92Å
967	G	89.9	Confident	94.9	Very high	51 Å²	51	55.3 Å²	55.3	53%	0.526	29%	0.292	S	S	.	.	S	Bend	trans	81.1	1.2	-176.1	0	0	0	0	0	114.5	L963 Q964 P965	L963-G967 WeakPolarHBondContact CD1-O 3.49Å; Q964-G967 PolarHBondContact O-N 3.29Å; P965-G967 VanDerWaalsContact C-N 3.26Å; P965-G967 PolarHBondContact O-N 3.31Å
968	E	93	Very high	94.9	Very high	135 Å²	135	57.6 Å²	57.6	63%	0.631	30%	0.301	S	S	*	.	S	Bend	trans	-92.4	158.5	170.7	-60.2	-173.9	156.8	0	0	110.3	Q964 N966	Q964-E968 WeakPolarHBondContact CB-O 3.34Å; Q964-E968 PolarHBondContact N-O 2.89Å; N966-E968 VanDerWaalsContact C-N 3.27Å; N966-E968 PolarHBondContact ND2-OE2 3.23Å; N966-E968 WeakPolarHBondContact OD1-CB 3.47Å; N966-E968 PolarHBondContact OD1-N 2.92Å
969	E	94.9	Very high	94.9	Very high	34 Å²	34	57 Å²	57	16%	0.159	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-84	145.2	178.5	-178	-176.2	155.6	0	0	111	G962 T971 P1014 M1015 T1016 Y1055	G962-E969 CarbonylContact O-C 3.53Å; G962-E969 WeakPolarHBondContact O-CA 3.44Å; E969-T971 PolarHBondContact O-N 2.9Å; E969-P1014 HydrophobicContact CB-CB 3.97Å; E969-P1014 HydrophobicContact CG-CB 4Å; E969-M1015 PolarHBondContact OE1-N 3.44Å; E969-T1016 VanDerWaalsContact CD-OG1 3.26Å; E969-T1016 WeakPolarHBondContact OE1-CB 3.45Å; E969-T1016 WeakPolarHBondContact OE1-CG2 3.5Å; E969-T1016 PolarHBondContact OE1-N 2.84Å; E969-T1016 PolarHBondContact OE1-OG1 3.25Å; E969-T1016 WeakPolarHBondContact OE2-CB 3.32Å; E969-T1016 VanDerWaalsContact OE2-CG2 3.31Å; E969-T1016 WeakPolarHBondContact OE2-CG2 3.49Å; E969-T1016 PolarHBondContact OE2-OG1 2.82Å; E969-Y1055 WeakPolarHBondContact CG-OH 3.34Å; E969-Y1055 WeakPolarHBondContact OE1-CE1 3.44Å; E969-Y1055 PolarHBondContact OE1-OH 3.49Å
970	M	96.7	Very high	94.9	Very high	11 Å²	11	58.3 Å²	58.3	5%	0.054	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-53.9	126.9	176.5	-170.6	179.4	-99.5	0	0	110.7	V960 G962 Q964 Q974 F975 Y978 M1015 Y1055	V960-M970 HydrophobicContact CG1-CE 4.26Å; V960-M970 HydrophobicContact CG1-SD 3.85Å; G962-M970 WeakPolarHBondContact O-CB 3.3Å; G962-M970 PolarHBondContact O-N 3.19Å; Q964-M970 HydrophobicContact CG-CB 4.23Å; M970-Q974 HydrophobicContact CG-CB 3.68Å; M970-F975 HydrophobicContact CG-CB 4.35Å; M970-F975 HydrophobicContact SD-CB 3.95Å; M970-F975 HydrophobicContact SD-CD2 3.93Å; M970-F975 HydrophobicContact SD-CG 4.43Å; M970-Y978 HydrophobicContact CE-CG 4.44Å; M970-M1015 PolarHBondContact O-N 3.43Å; M970-Y1055 HydrophobicContact CB-CE2 4.16Å; M970-Y1055 PolarHBondContact O-OH 3.1Å; M970-Y1055 HydrophobicContact SD-CE2 4.38Å
971	T	97.2	Very high	94.8	Very high	26 Å²	26	62.6 Å²	62.6	16%	0.16	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-79.5	160.3	175.3	67.9	0	0	0	0	111	E969 K973 Q974 F975 D1012 Q1013	E969-T971 PolarHBondContact O-N 2.9Å; T971-K973 PolarHBondContact O-N 3.27Å; T971-Q974 PolarHBondContact O-N 2.96Å; T971-Q974 VanDerWaalsContact O-N 3.15Å; T971-Q974 WeakPolarHBondContact OG1-CG 3.34Å; T971-Q974 PolarHBondContact OG1-N 3.04Å; T971-F975 WeakPolarHBondContact O-CB 3.48Å; T971-F975 PolarHBondContact O-N 3Å; T971-D1012 WeakPolarHBondContact CG2-O 3.36Å; T971-Q1013 WeakPolarHBondContact CA-O 3.47Å
972	L	97	Very high	94.7	Very high	1 Å²	1	62.2 Å²	62.2	1%	0.005	33%	0.328	C	S	.	.	H	α-helix	trans	-55.3	-39.7	173.7	174.6	63.7	0	0	0	111.6	F975 L976 L990 Y998 R1010 L1011 Q1013 M1015 I1018	L972-F975 WeakPolarHBondContact O-CB 3.49Å; L972-F975 PolarHBondContact O-N 3.14Å; L972-L976 HydrophobicContact CD1-CD1 4.33Å; L972-L976 HydrophobicContact CD1-CD2 4.31Å; L972-L976 HydrophobicContact CD1-CG 4.09Å; L972-L976 HydrophobicContact CG-CD1 4.18Å; L972-L976 HydrophobicContact CG-CG 4.35Å; L972-L976 VanDerWaalsContact O-CG 3.28Å; L972-L976 WeakPolarHBondContact O-CG 3.45Å; L972-L976 PolarHBondContact O-N 2.91Å; L972-L990 HydrophobicContact CD1-CD2 3.57Å; L972-Y998 HydrophobicContact CD2-CD2 4.24Å; L972-Y998 HydrophobicContact CD2-CG 4.47Å; L972-R1010 HydrophobicContact CD2-CB 3.92Å; L972-L1011 HydrophobicContact CD2-CD2 4.35Å; L972-L1011 HydrophobicContact CG-CD2 4.39Å; L972-L1011 PolarHBondContact N-O 2.65Å; L972-Q1013 PolarHBondContact N-O 3.24Å; L972-M1015 HydrophobicContact CB-SD 4.2Å; L972-M1015 HydrophobicContact CD1-SD 4.04Å; L972-I1018 HydrophobicContact CB-CD1 3.54Å; L972-I1018 HydrophobicContact CD2-CD1 4.04Å; L972-I1018 HydrophobicContact CG-CD1 4.3Å
973	K	96.8	Very high	94.7	Very high	106 Å²	106	64.5 Å²	64.5	46%	0.461	34%	0.338	S	S	.	.	H	α-helix	trans	-60.4	-49	176.7	-178.6	175.9	177.7	177.8	0	111.9	T971 F975 L976 D977 L1011	T971-K973 PolarHBondContact O-N 3.27Å; K973-F975 VanDerWaalsContact C-N 3.25Å; K973-F975 PolarHBondContact O-N 3.25Å; K973-L976 PolarHBondContact O-N 2.95Å; K973-D977 WeakPolarHBondContact O-CB 3.47Å; K973-D977 VanDerWaalsContact O-CG 3.29Å; K973-D977 PolarHBondContact O-N 2.92Å; K973-L1011 HydrophobicContact CB-CB 4.37Å; K973-L1011 HydrophobicContact CB-CD2 4.39Å; K973-L1011 VanDerWaalsContact CB-O 3.31Å; K973-L1011 WeakPolarHBondContact CB-O 3.39Å; K973-L1011 PolarHBondContact N-O 2.75Å
974	Q	96.7	Very high	94.7	Very high	80 Å²	80	66.2 Å²	66.2	37%	0.374	34%	0.342	S	S	.	.	H	α-helix	trans	-61.6	-36.7	177	-71.7	167.7	-21.9	0	0	111.7	M970 T971 Y978	M970-Q974 HydrophobicContact CG-CB 3.68Å; T971-Q974 PolarHBondContact O-N 2.96Å; T971-Q974 VanDerWaalsContact O-N 3.15Å; T971-Q974 WeakPolarHBondContact OG1-CG 3.34Å; T971-Q974 PolarHBondContact OG1-N 3.04Å; Q974-Y978 VanDerWaalsContact O-CB 3.23Å; Q974-Y978 WeakPolarHBondContact O-CB 3.5Å; Q974-Y978 PolarHBondContact O-N 3.3Å
975	F	97.5	Very high	94.9	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-63.9	-48.2	175.7	-174.1	-88.3	0	0	0	111.9	V960 M970 T971 L972 K973 Y978 F979 I987 L990 M1015 L1036 L1038 V1053 Y1055	V960-F975 HydrophobicContact CG1-CD2 4.32Å; V960-F975 HydrophobicContact CG1-CE2 4.29Å; V960-F975 HydrophobicContact CG2-CE2 4.41Å; M970-F975 HydrophobicContact CG-CB 4.35Å; M970-F975 HydrophobicContact SD-CB 3.95Å; M970-F975 HydrophobicContact SD-CD2 3.93Å; M970-F975 HydrophobicContact SD-CG 4.43Å; T971-F975 WeakPolarHBondContact O-CB 3.48Å; T971-F975 PolarHBondContact O-N 3Å; L972-F975 WeakPolarHBondContact O-CB 3.49Å; L972-F975 PolarHBondContact O-N 3.14Å; K973-F975 VanDerWaalsContact C-N 3.25Å; K973-F975 PolarHBondContact O-N 3.25Å; F975-Y978 PolarHBondContact O-N 3.27Å; F975-F979 HydrophobicContact CD1-CD2 4.26Å; F975-F979 HydrophobicContact CD1-CE2 4.4Å; F975-F979 HydrophobicContact CD2-CE2 4.43Å; F975-F979 AromaticContact CE1-CD2 3.95Å; F975-F979 HydrophobicContact CE1-CD2 3.95Å; F975-F979 AromaticContact CE1-CE2 3.78Å; F975-F979 HydrophobicContact CE1-CE2 3.78Å; F975-F979 AromaticContact CE2-CE2 3.82Å; F975-F979 HydrophobicContact CE2-CE2 3.82Å; F975-F979 HydrophobicContact CZ-CD2 4.11Å; F975-F979 AromaticContact CZ-CE2 3.47Å; F975-F979 HydrophobicContact CZ-CE2 3.47Å; F975-F979 VanDerWaalsContact CZ-CE2 3.47Å; F975-F979 HydrophobicContact CZ-CZ 4.31Å; F975-F979 WeakPolarHBondContact O-CD2 3.23Å; F975-F979 PolarHBondContact O-N 2.86Å; F975-I987 HydrophobicContact CD1-CD1 3.95Å; F975-I987 HydrophobicContact CE1-CD1 3.62Å; F975-L990 HydrophobicContact CD1-CD2 4.02Å; F975-L990 HydrophobicContact CE1-CD1 3.9Å; F975-L990 HydrophobicContact CE1-CD2 3.88Å; F975-L990 HydrophobicContact CZ-CD1 4.24Å; F975-M1015 HydrophobicContact CB-SD 4.21Å; F975-M1015 HydrophobicContact CD2-CE 4.46Å; F975-M1015 HydrophobicContact CG-CE 4.42Å; F975-M1015 HydrophobicContact CG-SD 4.26Å; F975-L1036 HydrophobicContact CE2-CD1 3.81Å; F975-L1036 HydrophobicContact CZ-CD1 3.75Å; F975-L1038 HydrophobicContact CE1-CD2 4.08Å; F975-L1038 HydrophobicContact CZ-CD2 4.36Å; F975-V1053 HydrophobicContact CE2-CG1 4.15Å; F975-V1053 HydrophobicContact CZ-CG1 4.23Å; F975-V1053 HydrophobicContact CZ-CG2 4.14Å; F975-Y1055 HydrophobicContact CD2-CD2 4.33Å; F975-Y1055 HydrophobicContact CD2-CE2 4.46Å; F975-Y1055 HydrophobicContact CE2-CD2 4.22Å
976	L	97.2	Very high	95.2	Very high	25 Å²	25	62 Å²	62	13%	0.131	31%	0.31	C	S	.	.	H	α-helix	trans	-62.1	-44.1	176.5	-63	174.8	0	0	0	111.5	L972 K973 F979 K980 I987 Y998 L1011	L972-L976 HydrophobicContact CD1-CD1 4.33Å; L972-L976 HydrophobicContact CD1-CD2 4.31Å; L972-L976 HydrophobicContact CD1-CG 4.09Å; L972-L976 HydrophobicContact CG-CD1 4.18Å; L972-L976 HydrophobicContact CG-CG 4.35Å; L972-L976 VanDerWaalsContact O-CG 3.28Å; L972-L976 WeakPolarHBondContact O-CG 3.45Å; L972-L976 PolarHBondContact O-N 2.91Å; K973-L976 PolarHBondContact O-N 2.95Å; L976-F979 PolarHBondContact O-N 2.85Å; L976-K980 PolarHBondContact O-N 3.3Å; L976-K980 VanDerWaalsContact O-N 3.13Å; L976-I987 HydrophobicContact CD2-CB 3.72Å; L976-I987 HydrophobicContact CD2-CD1 4.07Å; L976-I987 HydrophobicContact CD2-CG1 4.46Å; L976-I987 HydrophobicContact CD2-CG2 3.8Å; L976-Y998 HydrophobicContact CD1-CD2 4.09Å; L976-Y998 HydrophobicContact CD1-CE1 4.37Å; L976-Y998 HydrophobicContact CD1-CE2 3.79Å; L976-Y998 HydrophobicContact CD1-CG 4.49Å; L976-Y998 HydrophobicContact CD2-CD1 3.9Å; L976-Y998 HydrophobicContact CD2-CE1 3.81Å; L976-Y998 HydrophobicContact CD2-CG 4.37Å; L976-L1011 HydrophobicContact CD1-CD2 3.85Å
977	D	97	Very high	95.4	Very high	76 Å²	76	57.3 Å²	57.3	41%	0.406	29%	0.285	S	S	.	.	H	α-helix	trans	-64.6	-39.9	178.4	-70.3	-22.6	0	0	0	111.3	K973 F979 K980 T981	K973-D977 WeakPolarHBondContact O-CB 3.47Å; K973-D977 VanDerWaalsContact O-CG 3.29Å; K973-D977 PolarHBondContact O-N 2.92Å; D977-F979 PolarHBondContact O-N 2.92Å; D977-K980 PolarHBondContact O-N 3.28Å; D977-K980 VanDerWaalsContact O-N 3.14Å; D977-T981 WeakPolarHBondContact O-CG2 3.48Å; D977-T981 PolarHBondContact O-N 3.1Å; D977-T981 PolarHBondContact O-OG1 2.82Å
978	Y	96.7	Very high	95.7	Very high	67 Å²	67	55.7 Å²	55.7	26%	0.263	27%	0.265	S	S	.	.	H	α-helix	trans	-57.9	-46.5	177.1	171.8	-98.4	0	0	0	112.2	V960 M970 Q974 F975 K980 T981 E982 H983	V960-Y978 HydrophobicContact CG2-CD1 4.32Å; V960-Y978 HydrophobicContact CG2-CE1 3.74Å; M970-Y978 HydrophobicContact CE-CG 4.44Å; Q974-Y978 VanDerWaalsContact O-CB 3.23Å; Q974-Y978 WeakPolarHBondContact O-CB 3.5Å; Q974-Y978 PolarHBondContact O-N 3.3Å; F975-Y978 PolarHBondContact O-N 3.27Å; Y978-K980 VanDerWaalsContact C-N 3.33Å; Y978-T981 PolarHBondContact O-N 3.33Å; Y978-E982 HydrophobicContact CD2-CB 4.26Å; Y978-E982 HydrophobicContact CD2-CG 3.58Å; Y978-E982 HydrophobicContact CE2-CB 4.08Å; Y978-E982 HydrophobicContact CE2-CG 3.63Å; Y978-E982 HydrophobicContact CG-CG 4.37Å; Y978-E982 VanDerWaalsContact O-CB 3.29Å; Y978-E982 WeakPolarHBondContact O-CB 3.48Å; Y978-E982 PolarHBondContact O-N 3.2Å; Y978-H983 AromaticContact CE1-CD2 3.54Å; Y978-H983 AromaticContact CE1-NE2 3.36Å; Y978-H983 WeakPolarHBondContact CE1-NE2 3.25Å; Y978-H983 AromaticContact CZ-NE2 3.48Å; Y978-H983 PolarHBondContact OH-NE2 3.01Å
979	F	96.2	Very high	95.8	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.248	C	C	.	.	I	π-helix	trans	-66.4	-37.9	176.2	-85.4	-89.4	0	0	0	111.9	F958 V960 F975 L976 D977 H983 K984 L985 I987 L1038 V1053	F958-F979 HydrophobicContact CB-CE1 4.23Å; F958-F979 HydrophobicContact CB-CZ 3.93Å; F958-F979 HydrophobicContact CD1-CE1 4.12Å; F958-F979 AromaticContact CD2-CE1 3.59Å; F958-F979 HydrophobicContact CD2-CE1 3.59Å; F958-F979 HydrophobicContact CD2-CZ 4.01Å; F958-F979 HydrophobicContact CE1-CE1 4.38Å; F958-F979 AromaticContact CE2-CE1 3.85Å; F958-F979 HydrophobicContact CE2-CE1 3.85Å; F958-F979 AromaticContact CG-CE1 3.71Å; F958-F979 HydrophobicContact CG-CE1 3.71Å; F958-F979 AromaticContact CG-CZ 3.94Å; F958-F979 HydrophobicContact CG-CZ 3.94Å; F958-F979 HydrophobicContact CZ-CE1 4.25Å; V960-F979 HydrophobicContact CG2-CE2 4.18Å; V960-F979 HydrophobicContact CG2-CZ 4.32Å; F975-F979 HydrophobicContact CD1-CD2 4.26Å; F975-F979 HydrophobicContact CD1-CE2 4.4Å; F975-F979 HydrophobicContact CD2-CE2 4.43Å; F975-F979 AromaticContact CE1-CD2 3.95Å; F975-F979 HydrophobicContact CE1-CD2 3.95Å; F975-F979 AromaticContact CE1-CE2 3.78Å; F975-F979 HydrophobicContact CE1-CE2 3.78Å; F975-F979 AromaticContact CE2-CE2 3.82Å; F975-F979 HydrophobicContact CE2-CE2 3.82Å; F975-F979 HydrophobicContact CZ-CD2 4.11Å; F975-F979 AromaticContact CZ-CE2 3.47Å; F975-F979 HydrophobicContact CZ-CE2 3.47Å; F975-F979 VanDerWaalsContact CZ-CE2 3.47Å; F975-F979 HydrophobicContact CZ-CZ 4.31Å; F975-F979 WeakPolarHBondContact O-CD2 3.23Å; F975-F979 PolarHBondContact O-N 2.86Å; L976-F979 PolarHBondContact O-N 2.85Å; D977-F979 PolarHBondContact O-N 2.92Å; F979-H983 HydrophobicContact CD1-CB 4.11Å; F979-H983 CarbonylContact O-C 3.55Å; F979-H983 WeakPolarHBondContact O-CA 3.15Å; F979-H983 WeakPolarHBondContact O-CB 3.19Å; F979-H983 PolarHBondContact O-N 3.28Å; F979-K984 PolarHBondContact O-N 2.89Å; F979-L985 CarbonylContact C-O 3.48Å; F979-L985 VanDerWaalsContact C-O 3.25Å; F979-L985 HydrophobicContact CB-CB 4.42Å; F979-L985 HydrophobicContact CD1-CB 4.38Å; F979-L985 HydrophobicContact CD1-CD1 4.27Å; F979-L985 PolarHBondContact O-N 3.4Å; F979-I987 HydrophobicContact CB-CD1 3.65Å; F979-I987 HydrophobicContact CB-CG1 3.96Å; F979-I987 HydrophobicContact CD1-CD1 4.32Å; F979-I987 HydrophobicContact CD2-CD1 3.54Å; F979-I987 HydrophobicContact CE2-CD1 4.3Å; F979-I987 HydrophobicContact CG-CD1 3.56Å; F979-I987 HydrophobicContact CG-CG1 4.16Å; F979-L1038 HydrophobicContact CD1-CD1 4.02Å; F979-L1038 HydrophobicContact CE1-CD1 3.52Å; F979-L1038 HydrophobicContact CE2-CD1 4.29Å; F979-L1038 HydrophobicContact CZ-CD1 3.68Å; F979-V1053 HydrophobicContact CE1-CG2 4.41Å; F979-V1053 HydrophobicContact CE2-CG2 4.21Å; F979-V1053 HydrophobicContact CZ-CG1 4.37Å; F979-V1053 HydrophobicContact CZ-CG2 3.57Å
980	K	94.6	Very high	96	Very high	110 Å²	110	50.3 Å²	50.3	48%	0.478	24%	0.241	S	C	.	.	I	π-helix	trans	-67	-37.6	178.2	-167.7	166.5	-172.2	151.3	0	113	L976 D977 Y978 K984 L985 E986	L976-K980 PolarHBondContact O-N 3.3Å; L976-K980 VanDerWaalsContact O-N 3.13Å; D977-K980 PolarHBondContact O-N 3.28Å; D977-K980 VanDerWaalsContact O-N 3.14Å; Y978-K980 VanDerWaalsContact C-N 3.33Å; K980-K984 WeakPolarHBondContact O-CA 3.34Å; K980-L985 WeakPolarHBondContact CA-O 3.42Å; K980-L985 PolarHBondContact N-O 3.29Å; K980-E986 IonicContact NZ-OE1 2.79Å; K980-E986 PolarHBondContact NZ-OE1 3.24Å
981	T	94.5	Very high	95.9	Very high	92 Å²	92	50.8 Å²	50.8	56%	0.564	25%	0.246	S	C	*	.	I	π-helix	trans	-89.5	-48	-177.1	61.8	0	0	0	0	113.3	D977 Y978	D977-T981 WeakPolarHBondContact O-CG2 3.48Å; D977-T981 PolarHBondContact O-N 3.1Å; D977-T981 PolarHBondContact O-OG1 2.82Å; Y978-T981 PolarHBondContact O-N 3.33Å
982	E	94	Very high	95.8	Very high	128 Å²	128	52 Å²	52	60%	0.598	25%	0.249	S	C	*	.	I	π-helix	trans	-85.1	-39.6	-172.1	-56.1	-54.3	121.5	0	0	111.9	Y978	Y978-E982 HydrophobicContact CD2-CB 4.26Å; Y978-E982 HydrophobicContact CD2-CG 3.58Å; Y978-E982 HydrophobicContact CE2-CB 4.08Å; Y978-E982 HydrophobicContact CE2-CG 3.63Å; Y978-E982 HydrophobicContact CG-CG 4.37Å; Y978-E982 VanDerWaalsContact O-CB 3.29Å; Y978-E982 WeakPolarHBondContact O-CB 3.48Å; Y978-E982 PolarHBondContact O-N 3.2Å
983	H	93	Very high	95.4	Very high	47 Å²	47	54.5 Å²	54.5	22%	0.218	28%	0.276	C	S	.	.	I	π-helix	trans	-104	-9.5	-176.6	-62.7	-73.5	0	0	0	113.5	F958 Y978 F979 L985	F958-H983 AromaticContact CD1-CE1 3.59Å; F958-H983 AromaticContact CD1-ND1 3.69Å; F958-H983 AromaticContact CE1-CE1 3.75Å; F958-H983 AromaticContact CE1-CG 3.88Å; F958-H983 AromaticContact CE1-ND1 3.35Å; F958-H983 VanDerWaalsContact CE1-ND1 3.35Å; F958-H983 WeakPolarHBondContact CE1-ND1 3.36Å; Y978-H983 AromaticContact CE1-CD2 3.54Å; Y978-H983 AromaticContact CE1-NE2 3.36Å; Y978-H983 WeakPolarHBondContact CE1-NE2 3.25Å; Y978-H983 AromaticContact CZ-NE2 3.48Å; Y978-H983 PolarHBondContact OH-NE2 3.01Å; F979-H983 HydrophobicContact CD1-CB 4.11Å; F979-H983 CarbonylContact O-C 3.55Å; F979-H983 WeakPolarHBondContact O-CA 3.15Å; F979-H983 WeakPolarHBondContact O-CB 3.19Å; F979-H983 PolarHBondContact O-N 3.28Å; H983-L985 VanDerWaalsContact C-N 3.25Å; H983-L985 HydrophobicContact CB-CD1 4.1Å; H983-L985 HydrophobicContact CB-CG 4.24Å; H983-L985 PolarHBondContact O-N 3.28Å
984	K	93.6	Very high	95.1	Very high	115 Å²	115	56.9 Å²	56.9	50%	0.5	30%	0.298	S	S	.	.			trans	55.4	41.1	-173.4	-57.4	150.7	-176.6	173.6	0	111.6	Y948 F979 K980 E1043	Y948-K984 HydrophobicContact CE2-CB 4.45Å; Y948-K984 WeakPolarHBondContact CE2-O 3.21Å; Y948-K984 PolarHBondContact OH-O 3.19Å; F979-K984 PolarHBondContact O-N 2.89Å; K980-K984 WeakPolarHBondContact O-CA 3.34Å; K984-E1043 HydrophobicContact CB-CG 4.38Å
985	L	95	Very high	94.9	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.287	C	S	.	.			trans	-117.4	121.4	178.8	-69	173.2	0	0	0	109.3	Y947 Y948 F958 F979 K980 H983 I987 C1040 V1048 V1050	Y947-L985 HydrophobicContact CD2-CD1 4.11Å; Y947-L985 HydrophobicContact CD2-CD2 3.91Å; Y947-L985 HydrophobicContact CD2-CG 4.33Å; Y947-L985 HydrophobicContact CE2-CD1 4Å; Y947-L985 HydrophobicContact CE2-CG 4.48Å; Y948-L985 HydrophobicContact CE2-CD2 3.89Å; F958-L985 HydrophobicContact CE2-CD1 4.34Å; F958-L985 HydrophobicContact CZ-CD1 3.9Å; F979-L985 CarbonylContact C-O 3.48Å; F979-L985 VanDerWaalsContact C-O 3.25Å; F979-L985 HydrophobicContact CB-CB 4.42Å; F979-L985 HydrophobicContact CD1-CB 4.38Å; F979-L985 HydrophobicContact CD1-CD1 4.27Å; F979-L985 PolarHBondContact O-N 3.4Å; K980-L985 WeakPolarHBondContact CA-O 3.42Å; K980-L985 PolarHBondContact N-O 3.29Å; H983-L985 VanDerWaalsContact C-N 3.25Å; H983-L985 HydrophobicContact CB-CD1 4.1Å; H983-L985 HydrophobicContact CB-CG 4.24Å; H983-L985 PolarHBondContact O-N 3.28Å; L985-I987 PolarHBondContact O-N 3.16Å; L985-C1040 HydrophobicContact CB-CB 4.13Å; L985-V1048 HydrophobicContact CD2-CG2 4.19Å; L985-V1050 HydrophobicContact CD1-CB 4.4Å; L985-V1050 HydrophobicContact CD1-CG1 3.87Å; L985-V1050 HydrophobicContact CD2-CG1 4.21Å
986	E	95.9	Very high	94.8	Very high	93 Å²	93	57.6 Å²	57.6	44%	0.435	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	97.9	172.9	-178.8	159.3	-115.2	0	0	109.2	K980 T988 C1040 N1041	K980-E986 IonicContact NZ-OE1 2.79Å; K980-E986 PolarHBondContact NZ-OE1 3.24Å; E986-T988 PolarHBondContact O-N 2.8Å; E986-C1040 CarbonylContact O-C 3.37Å; E986-C1040 VanDerWaalsContact O-CA 3.24Å; E986-C1040 WeakPolarHBondContact O-CA 3.28Å; E986-C1040 WeakPolarHBondContact O-CB 3.41Å; E986-N1041 HydrophobicContact CB-CB 4.46Å; E986-N1041 PolarHBondContact N-O 3.35Å; E986-N1041 PolarHBondContact O-N 3.22Å
987	I	96.2	Very high	94.7	Very high	6 Å²	6	56.4 Å²	56.4	3%	0.031	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	124.4	179.7	-64.7	172.8	0	0	0	110.2	F975 L976 F979 L985 M989 L990 Y998 L1038 C1040	F975-I987 HydrophobicContact CD1-CD1 3.95Å; F975-I987 HydrophobicContact CE1-CD1 3.62Å; L976-I987 HydrophobicContact CD2-CB 3.72Å; L976-I987 HydrophobicContact CD2-CD1 4.07Å; L976-I987 HydrophobicContact CD2-CG1 4.46Å; L976-I987 HydrophobicContact CD2-CG2 3.8Å; F979-I987 HydrophobicContact CB-CD1 3.65Å; F979-I987 HydrophobicContact CB-CG1 3.96Å; F979-I987 HydrophobicContact CD1-CD1 4.32Å; F979-I987 HydrophobicContact CD2-CD1 3.54Å; F979-I987 HydrophobicContact CE2-CD1 4.3Å; F979-I987 HydrophobicContact CG-CD1 3.56Å; F979-I987 HydrophobicContact CG-CG1 4.16Å; L985-I987 PolarHBondContact O-N 3.16Å; I987-M989 WeakPolarHBondContact CG2-O 3.35Å; I987-L990 HydrophobicContact CG2-CB 4.19Å; I987-Y998 HydrophobicContact CG2-CD1 4.06Å; I987-Y998 HydrophobicContact CG2-CE1 4.04Å; I987-Y998 VanDerWaalsContact O-CE1 3.32Å; I987-Y998 WeakPolarHBondContact O-CE1 3.44Å; I987-Y998 PolarHBondContact O-OH 3.44Å; I987-L1038 HydrophobicContact CD1-CD1 4.28Å; I987-L1038 HydrophobicContact CD1-CD2 3.93Å; I987-L1038 HydrophobicContact CG1-CD2 4.38Å; I987-L1038 HydrophobicContact CG2-CD2 4.39Å; I987-C1040 HydrophobicContact CG1-CB 4.44Å
988	T	95.7	Very high	94.7	Very high	17 Å²	17	54.4 Å²	54.4	10%	0.104	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	-26.9	177.3	59.1	0	0	0	0	112.2	E986 S999 F1000 C1039 N1041	E986-T988 PolarHBondContact O-N 2.8Å; T988-S999 CarbonylContact O-C 3.51Å; T988-S999 VanDerWaalsContact O-CA 3.23Å; T988-S999 WeakPolarHBondContact O-CA 3.43Å; T988-F1000 PolarHBondContact O-N 2.89Å; T988-C1039 PolarHBondContact N-O 3.05Å; T988-C1039 VanDerWaalsContact OG1-C 3.26Å; T988-C1039 PolarHBondContact OG1-O 3.36Å; T988-N1041 HydrophobicContact CG2-CB 4.31Å; T988-N1041 VanDerWaalsContact CG2-OD1 3.24Å; T988-N1041 WeakPolarHBondContact CG2-OD1 3.49Å
989	M	96.3	Very high	94.7	Very high	56 Å²	56	51.2 Å²	51.2	28%	0.276	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	142.6	173.5	-168.4	168	62.1	0	0	111	I987 M996 Y998 L1038 C1039	I987-M989 WeakPolarHBondContact CG2-O 3.35Å; M989-M996 HydrophobicContact CG-CE 4.41Å; M989-M996 HydrophobicContact CG-CG 4.3Å; M989-M996 HydrophobicContact CG-SD 4.38Å; M989-M996 HydrophobicContact SD-CE 3.48Å; M989-M996 WeakPolarHBondContact SD-CE 3.24Å; M989-M996 HydrophobicContact SD-SD 4.12Å; M989-Y998 WeakPolarHBondContact CA-O 3.45Å; M989-L1038 WeakPolarHBondContact O-CA 3.41Å; M989-C1039 HydrophobicContact CB-CB 3.98Å; M989-C1039 HydrophobicContact CE-CB 4.45Å; M989-C1039 WeakPolarHBondContact CE-SG 3.4Å; M989-C1039 PolarHBondContact N-O 3.26Å; M989-C1039 PolarHBondContact O-N 3.07Å
990	L	97.4	Very high	94.5	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	125.3	178.7	169.4	65.9	0	0	0	109.1	L972 F975 I987 L997 Y998 M1015 L1036 E1037 L1038	L972-L990 HydrophobicContact CD1-CD2 3.57Å; F975-L990 HydrophobicContact CD1-CD2 4.02Å; F975-L990 HydrophobicContact CE1-CD1 3.9Å; F975-L990 HydrophobicContact CE1-CD2 3.88Å; F975-L990 HydrophobicContact CZ-CD1 4.24Å; I987-L990 HydrophobicContact CG2-CB 4.19Å; L990-L997 HydrophobicContact CD2-CB 4.43Å; L990-L997 HydrophobicContact CG-CB 4.19Å; L990-L997 HydrophobicContact CG-CD1 4.29Å; L990-L997 WeakPolarHBondContact O-CA 3.48Å; L990-L997 PolarHBondContact O-N 3.48Å; L990-Y998 HydrophobicContact CB-CD1 4.28Å; L990-Y998 PolarHBondContact N-O 2.98Å; L990-Y998 PolarHBondContact O-N 3.41Å; L990-M1015 HydrophobicContact CD2-CE 3.64Å; L990-M1015 HydrophobicContact CG-CE 4.49Å; L990-L1036 HydrophobicContact CD1-CB 3.78Å; L990-L1036 HydrophobicContact CD1-CD1 4.18Å; L990-L1036 HydrophobicContact CD1-CG 4.43Å; L990-E1037 WeakPolarHBondContact CA-O 3.39Å; L990-L1038 HydrophobicContact CB-CD2 4.39Å; L990-L1038 HydrophobicContact CD1-CD2 3.38Å; L990-L1038 HydrophobicContact CG-CD2 4.43Å
991	S	96.5	Very high	94.4	Very high	22 Å²	22	58.7 Å²	58.7	15%	0.154	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	159.8	179.8	66.8	0	0	0	0	112.2	S995 L1036 E1037	S991-S995 CarbonylContact C-O 3.54Å; S991-S995 VanDerWaalsContact CA-O 3.3Å; S991-S995 WeakPolarHBondContact CA-O 3.44Å; S991-S995 WeakPolarHBondContact CB-O 3.44Å; S991-L1036 WeakPolarHBondContact O-CA 3.4Å; S991-E1037 PolarHBondContact N-O 3.23Å; S991-E1037 PolarHBondContact O-N 3.14Å
992	Q	93.7	Very high	94.4	Very high	51 Å²	51	55.5 Å²	55.5	24%	0.238	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	108.5	170.1	-172.9	-76.8	-47.7	0	0	107.1	V994 S995 L997 V1019 L1036	Q992-V994 PolarHBondContact O-N 2.84Å; Q992-S995 PolarHBondContact N-O 2.97Å; Q992-S995 WeakPolarHBondContact O-CB 3.3Å; Q992-S995 PolarHBondContact O-N 3.38Å; Q992-L997 HydrophobicContact CB-CD1 3.93Å; Q992-L997 HydrophobicContact CB-CD2 4.39Å; Q992-L997 HydrophobicContact CB-CG 4.27Å; Q992-V1019 HydrophobicContact CB-CG2 4.18Å; Q992-V1019 HydrophobicContact CG-CG1 4.19Å; Q992-V1019 HydrophobicContact CG-CG2 4.22Å; Q992-L1036 HydrophobicContact CB-CD2 3.89Å; Q992-L1036 HydrophobicContact CG-CD2 4.02Å
993	G	89.8	Confident	94.4	Very high	54 Å²	54	53.6 Å²	53.6	56%	0.557	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	-127.7	-167.6	0	0	0	0	0	111.2	S995	G993-S995 VanDerWaalsContact C-N 3.25Å; G993-S995 PolarHBondContact O-N 3.39Å
994	V	89.7	Confident	94.4	Very high	155 Å²	155	55.4 Å²	55.4	94%	0.939	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-1.4	179.1	-58.8	0	0	0	0	114.2	Q992	Q992-V994 PolarHBondContact O-N 2.84Å
995	S	92.6	Very high	94.4	Very high	19 Å²	19	53 Å²	53	13%	0.133	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	114.9	-174.1	-65.1	0	0	0	0	112.1	S991 Q992 G993 L997	S991-S995 CarbonylContact C-O 3.54Å; S991-S995 VanDerWaalsContact CA-O 3.3Å; S991-S995 WeakPolarHBondContact CA-O 3.44Å; S991-S995 WeakPolarHBondContact CB-O 3.44Å; Q992-S995 PolarHBondContact N-O 2.97Å; Q992-S995 WeakPolarHBondContact O-CB 3.3Å; Q992-S995 PolarHBondContact O-N 3.38Å; G993-S995 VanDerWaalsContact C-N 3.25Å; G993-S995 PolarHBondContact O-N 3.39Å; S995-L997 PolarHBondContact O-N 2.92Å
996	M	95.3	Very high	94.3	Very high	76 Å²	76	57.2 Å²	57.2	37%	0.374	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	113.6	175.4	-168.1	-178.7	-64	0	0	111.6	M989 F1001 R1010	M989-M996 HydrophobicContact CG-CE 4.41Å; M989-M996 HydrophobicContact CG-CG 4.3Å; M989-M996 HydrophobicContact CG-SD 4.38Å; M989-M996 HydrophobicContact SD-CE 3.48Å; M989-M996 WeakPolarHBondContact SD-CE 3.24Å; M989-M996 HydrophobicContact SD-SD 4.12Å; M996-F1001 HydrophobicContact CE-CZ 4.23Å; M996-F1001 HydrophobicContact SD-CE2 4.31Å; M996-F1001 HydrophobicContact SD-CZ 3.84Å; M996-R1010 PolarHBondContact O-NH1 3.47Å; M996-R1010 VanDerWaalsContact O-NH1 3.14Å
997	L	95.8	Very high	94.2	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	-37.6	-176.4	-52.3	-178.2	0	0	0	112.1	L990 Q992 S995 R1010 M1015 I1018 V1019 V1022 L1036	L990-L997 HydrophobicContact CD2-CB 4.43Å; L990-L997 HydrophobicContact CG-CB 4.19Å; L990-L997 HydrophobicContact CG-CD1 4.29Å; L990-L997 WeakPolarHBondContact O-CA 3.48Å; L990-L997 PolarHBondContact O-N 3.48Å; Q992-L997 HydrophobicContact CB-CD1 3.93Å; Q992-L997 HydrophobicContact CB-CD2 4.39Å; Q992-L997 HydrophobicContact CB-CG 4.27Å; S995-L997 PolarHBondContact O-N 2.92Å; L997-R1010 VanDerWaalsContact C-NH1 3.33Å; L997-R1010 WeakPolarHBondContact O-CD 3.27Å; L997-R1010 PolarHBondContact O-NH1 2.85Å; L997-M1015 HydrophobicContact CD1-CE 4.14Å; L997-I1018 HydrophobicContact CB-CG2 4.12Å; L997-I1018 HydrophobicContact CD2-CG2 4.13Å; L997-V1019 HydrophobicContact CD1-CG2 3.59Å; L997-V1019 HydrophobicContact CD2-CB 4.41Å; L997-V1019 HydrophobicContact CD2-CG2 3.8Å; L997-V1019 HydrophobicContact CG-CG2 4.36Å; L997-V1022 HydrophobicContact CD2-CB 4.33Å; L997-V1022 HydrophobicContact CD2-CG2 4.38Å; L997-L1036 HydrophobicContact CD1-CD2 3.95Å
998	Y	97.1	Very high	94	Very high	34 Å²	34	62.4 Å²	62.4	13%	0.133	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	147.2	176.7	161.4	-88.1	0	0	0	110.9	L972 L976 I987 M989 L990 L1007	L972-Y998 HydrophobicContact CD2-CD2 4.24Å; L972-Y998 HydrophobicContact CD2-CG 4.47Å; L976-Y998 HydrophobicContact CD1-CD2 4.09Å; L976-Y998 HydrophobicContact CD1-CE1 4.37Å; L976-Y998 HydrophobicContact CD1-CE2 3.79Å; L976-Y998 HydrophobicContact CD1-CG 4.49Å; L976-Y998 HydrophobicContact CD2-CD1 3.9Å; L976-Y998 HydrophobicContact CD2-CE1 3.81Å; L976-Y998 HydrophobicContact CD2-CG 4.37Å; I987-Y998 HydrophobicContact CG2-CD1 4.06Å; I987-Y998 HydrophobicContact CG2-CE1 4.04Å; I987-Y998 VanDerWaalsContact O-CE1 3.32Å; I987-Y998 WeakPolarHBondContact O-CE1 3.44Å; I987-Y998 PolarHBondContact O-OH 3.44Å; M989-Y998 WeakPolarHBondContact CA-O 3.45Å; L990-Y998 HydrophobicContact CB-CD1 4.28Å; L990-Y998 PolarHBondContact N-O 2.98Å; L990-Y998 PolarHBondContact O-N 3.41Å; Y998-L1007 HydrophobicContact CD2-CD2 3.51Å; Y998-L1007 HydrophobicContact CE2-CD2 3.42Å; Y998-L1007 VanDerWaalsContact CE2-CD2 3.42Å
999	S	95.8	Very high	93.9	Very high	1 Å²	1	65.5 Å²	65.5	1%	0.007	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	155.5	165.5	72.1	0	0	0	0	111.5	T988 F1001 M1002	T988-S999 CarbonylContact O-C 3.51Å; T988-S999 VanDerWaalsContact O-CA 3.23Å; T988-S999 WeakPolarHBondContact O-CA 3.43Å; S999-F1001 PolarHBondContact O-N 3.15Å; S999-F1001 WeakPolarHBondContact OG-CD2 3.44Å; S999-F1001 WeakPolarHBondContact OG-CE1 3.33Å; S999-F1001 VanDerWaalsContact OG-CE2 3.22Å; S999-F1001 WeakPolarHBondContact OG-CE2 3.42Å; S999-F1001 VanDerWaalsContact OG-CZ 3.23Å; S999-F1001 WeakPolarHBondContact OG-CZ 3.04Å; S999-M1002 PolarHBondContact N-SD 2.84Å; S999-M1002 WeakPolarHBondContact O-CB 3.42Å; S999-M1002 WeakPolarHBondContact O-CG 3.34Å; S999-M1002 PolarHBondContact O-N 3.37Å; S999-M1002 VanDerWaalsContact O-N 3.13Å; S999-M1002 VanDerWaalsContact OG-CG 3.31Å; S999-M1002 WeakPolarHBondContact OG-CG 3.5Å
1000	F	92.8	Very high	93.8	Very high	144 Å²	144	64.3 Å²	64.3	63%	0.632	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-26.6	-179.9	79	-90.4	0	0	0	113.1	T988	T988-F1000 PolarHBondContact O-N 2.89Å
1001	F	92.8	Very high	93.7	Very high	122 Å²	122	66.7 Å²	66.7	54%	0.535	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	7.3	179.6	59.4	-97.1	0	0	0	113.7	M996 S999	M996-F1001 HydrophobicContact CE-CZ 4.23Å; M996-F1001 HydrophobicContact SD-CE2 4.31Å; M996-F1001 HydrophobicContact SD-CZ 3.84Å; S999-F1001 PolarHBondContact O-N 3.15Å; S999-F1001 WeakPolarHBondContact OG-CD2 3.44Å; S999-F1001 WeakPolarHBondContact OG-CE1 3.33Å; S999-F1001 VanDerWaalsContact OG-CE2 3.22Å; S999-F1001 WeakPolarHBondContact OG-CE2 3.42Å; S999-F1001 VanDerWaalsContact OG-CZ 3.23Å; S999-F1001 WeakPolarHBondContact OG-CZ 3.04Å
1002	M	93.2	Very high	93.7	Very high	26 Å²	26	71.1 Å²	71.1	13%	0.128	39%	0.39	C	S	.	.	S	Bend	trans	-64.5	138.4	174.8	-73.2	-168.8	79.3	0	0	111.5	S999 K1006 L1007 R1010	S999-M1002 PolarHBondContact N-SD 2.84Å; S999-M1002 WeakPolarHBondContact O-CB 3.42Å; S999-M1002 WeakPolarHBondContact O-CG 3.34Å; S999-M1002 PolarHBondContact O-N 3.37Å; S999-M1002 VanDerWaalsContact O-N 3.13Å; S999-M1002 VanDerWaalsContact OG-CG 3.31Å; S999-M1002 WeakPolarHBondContact OG-CG 3.5Å; M1002-K1006 HydrophobicContact CE-CB 3.58Å; M1002-K1006 HydrophobicContact CE-CG 4.32Å; M1002-L1007 HydrophobicContact CB-CD1 4.44Å; M1002-L1007 HydrophobicContact CB-CD2 4.23Å; M1002-L1007 HydrophobicContact CB-CG 3.93Å; M1002-R1010 VanDerWaalsContact CE-CZ 3.44Å; M1002-R1010 VanDerWaalsContact CE-NH1 3.29Å
1003	P	94.5	Very high	93.8	Very high	88 Å²	88	70.3 Å²	70.3	57%	0.571	39%	0.386	S	S	*	.			trans	-58.4	143.4	174.8	-24.4	33.4	0	0	0	112	A1005 K1006 L1007	P1003-A1005 PolarHBondContact O-N 2.93Å; P1003-K1006 WeakPolarHBondContact O-CA 3.22Å; P1003-K1006 WeakPolarHBondContact O-CB 3.37Å; P1003-K1006 PolarHBondContact O-N 2.97Å; P1003-L1007 PolarHBondContact O-N 3.16Å; P1003-L1007 VanDerWaalsContact O-N 3.09Å
1004	A	92.7	Very high	94.1	Very high	84 Å²	84	69.4 Å²	69.4	69%	0.694	37%	0.37	S	S	*	.	H	α-helix	trans	-51.6	-35.7	-177.9	0	0	0	0	0	113.9	L1007 K1008	A1004-L1007 PolarHBondContact O-N 3.4Å; A1004-K1008 WeakPolarHBondContact O-CB 3.33Å; A1004-K1008 PolarHBondContact O-N 3.33Å
1005	A	93.7	Very high	94.4	Very high	66 Å²	66	62 Å²	62	55%	0.545	33%	0.326	S	S	.	.	H	α-helix	trans	-62.4	-43.1	175.1	0	0	0	0	0	112.5	P1003 K1008 E1009	P1003-A1005 PolarHBondContact O-N 2.93Å; A1005-K1008 PolarHBondContact O-N 3.18Å; A1005-E1009 WeakPolarHBondContact O-CG 3.38Å; A1005-E1009 PolarHBondContact O-N 3.49Å; A1005-E1009 VanDerWaalsContact O-N 3.12Å
1006	K	92.9	Very high	94.5	Very high	87 Å²	87	62.4 Å²	62.4	38%	0.378	33%	0.327	S	S	.	.	H	α-helix	trans	-69.8	-36.5	178	-73.4	-69.9	-176.3	-168.3	0	112.4	M1002 P1003 E1009 R1010	M1002-K1006 HydrophobicContact CE-CB 3.58Å; M1002-K1006 HydrophobicContact CE-CG 4.32Å; P1003-K1006 WeakPolarHBondContact O-CA 3.22Å; P1003-K1006 WeakPolarHBondContact O-CB 3.37Å; P1003-K1006 PolarHBondContact O-N 2.97Å; K1006-E1009 IonicContact NZ-OE2 2.73Å; K1006-E1009 PolarHBondContact O-N 3.27Å; K1006-R1010 WeakPolarHBondContact O-CG 3.49Å; K1006-R1010 PolarHBondContact O-N 3.11Å
1007	L	92.9	Very high	94.5	Very high	39 Å²	39	63 Å²	63	20%	0.204	33%	0.329	C	S	.	.	H	α-helix	trans	-62.4	-49.8	173.8	-78.7	169.3	0	0	0	110.9	Y998 M1002 P1003 A1004 E1009 R1010 L1011	Y998-L1007 HydrophobicContact CD2-CD2 3.51Å; Y998-L1007 HydrophobicContact CE2-CD2 3.42Å; Y998-L1007 VanDerWaalsContact CE2-CD2 3.42Å; M1002-L1007 HydrophobicContact CB-CD1 4.44Å; M1002-L1007 HydrophobicContact CB-CD2 4.23Å; M1002-L1007 HydrophobicContact CB-CG 3.93Å; P1003-L1007 PolarHBondContact O-N 3.16Å; P1003-L1007 VanDerWaalsContact O-N 3.09Å; A1004-L1007 PolarHBondContact O-N 3.4Å; L1007-E1009 PolarHBondContact O-N 3.39Å; L1007-R1010 PolarHBondContact O-N 2.95Å; L1007-L1011 HydrophobicContact CB-CD1 4.47Å; L1007-L1011 WeakPolarHBondContact O-CG 3.42Å; L1007-L1011 PolarHBondContact O-N 2.68Å
1008	K	92.4	Very high	94.4	Very high	170 Å²	170	63 Å²	63	74%	0.739	33%	0.329	S	S	*	.	H	α-helix	trans	-58.4	-35	178.2	-169.5	177.4	-179	179.4	0	112.7	A1004 A1005 R1010	A1004-K1008 WeakPolarHBondContact O-CB 3.33Å; A1004-K1008 PolarHBondContact O-N 3.33Å; A1005-K1008 PolarHBondContact O-N 3.18Å; K1008-R1010 VanDerWaalsContact C-N 3.31Å; K1008-R1010 PolarHBondContact O-N 3.5Å
1009	E	93.7	Very high	94.3	Very high	82 Å²	82	61.5 Å²	61.5	38%	0.383	32%	0.323	S	S	.	.	H	α-helix	trans	-71.6	-19	176.4	-76.7	175.9	-160.7	0	0	114.6	A1005 K1006 L1007 Q1013 R1021	A1005-E1009 WeakPolarHBondContact O-CG 3.38Å; A1005-E1009 PolarHBondContact O-N 3.49Å; A1005-E1009 VanDerWaalsContact O-N 3.12Å; K1006-E1009 IonicContact NZ-OE2 2.73Å; K1006-E1009 PolarHBondContact O-N 3.27Å; L1007-E1009 PolarHBondContact O-N 3.39Å; E1009-Q1013 WeakPolarHBondContact O-CG 3.28Å; E1009-Q1013 PolarHBondContact O-OE1 3.47Å; E1009-R1021 IonicContact OE2-CZ 3.52Å; E1009-R1021 IonicContact OE2-NH1 2.85Å; E1009-R1021 IonicContact OE2-NH2 3.58Å; E1009-R1021 PolarHBondContact OE2-NH2 2.86Å
1010	R	95	Very high	94.2	Very high	31 Å²	31	62.9 Å²	62.9	12%	0.117	33%	0.333	C	S	.	.	H	α-helix	trans	-113.4	-31.8	-172	-68.6	-175.6	-174.4	-174.2	1	113.9	L972 M996 L997 M1002 K1006 L1007 K1008 D1012 Q1013 I1018	L972-R1010 HydrophobicContact CD2-CB 3.92Å; M996-R1010 PolarHBondContact O-NH1 3.47Å; M996-R1010 VanDerWaalsContact O-NH1 3.14Å; L997-R1010 VanDerWaalsContact C-NH1 3.33Å; L997-R1010 WeakPolarHBondContact O-CD 3.27Å; L997-R1010 PolarHBondContact O-NH1 2.85Å; M1002-R1010 VanDerWaalsContact CE-CZ 3.44Å; M1002-R1010 VanDerWaalsContact CE-NH1 3.29Å; K1006-R1010 WeakPolarHBondContact O-CG 3.49Å; K1006-R1010 PolarHBondContact O-N 3.11Å; L1007-R1010 PolarHBondContact O-N 2.95Å; K1008-R1010 VanDerWaalsContact C-N 3.31Å; K1008-R1010 PolarHBondContact O-N 3.5Å; R1010-D1012 VanDerWaalsContact C-N 3.31Å; R1010-D1012 PolarHBondContact O-N 3.42Å; R1010-Q1013 WeakPolarHBondContact O-CB 3.13Å; R1010-Q1013 PolarHBondContact O-N 3.26Å; R1010-I1018 HydrophobicContact CB-CD1 4.25Å; R1010-I1018 HydrophobicContact CG-CG2 4.44Å; R1010-I1018 WeakPolarHBondContact O-CD1 3.45Å
1011	L	95.7	Very high	94.3	Very high	49 Å²	49	61.1 Å²	61.1	26%	0.257	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-41.3	-171.4	-78.3	171.3	0	0	0	113.7	L972 K973 L976 L1007 Q1013	L972-L1011 HydrophobicContact CD2-CD2 4.35Å; L972-L1011 HydrophobicContact CG-CD2 4.39Å; L972-L1011 PolarHBondContact N-O 2.65Å; K973-L1011 HydrophobicContact CB-CB 4.37Å; K973-L1011 HydrophobicContact CB-CD2 4.39Å; K973-L1011 VanDerWaalsContact CB-O 3.31Å; K973-L1011 WeakPolarHBondContact CB-O 3.39Å; K973-L1011 PolarHBondContact N-O 2.75Å; L976-L1011 HydrophobicContact CD1-CD2 3.85Å; L1007-L1011 HydrophobicContact CB-CD1 4.47Å; L1007-L1011 WeakPolarHBondContact O-CG 3.42Å; L1007-L1011 PolarHBondContact O-N 2.68Å; L1011-Q1013 VanDerWaalsContact C-N 3.35Å
1012	D	95.8	Very high	94.3	Very high	115 Å²	115	57.1 Å²	57.1	62%	0.615	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	0.2	-178.9	-57.2	-53.5	0	0	0	113.1	T971 R1010	T971-D1012 WeakPolarHBondContact CG2-O 3.36Å; R1010-D1012 VanDerWaalsContact C-N 3.31Å; R1010-D1012 PolarHBondContact O-N 3.42Å
1013	Q	96	Very high	94.1	Very high	34 Å²	34	57.4 Å²	57.4	16%	0.159	31%	0.312	C	S	.	.	S	Bend	trans	-86.2	144.3	179	-61.3	-163	-45.6	0	0	111.1	T971 L972 E1009 R1010 L1011 E1017 I1018	T971-Q1013 WeakPolarHBondContact CA-O 3.47Å; L972-Q1013 PolarHBondContact N-O 3.24Å; E1009-Q1013 WeakPolarHBondContact O-CG 3.28Å; E1009-Q1013 PolarHBondContact O-OE1 3.47Å; R1010-Q1013 WeakPolarHBondContact O-CB 3.13Å; R1010-Q1013 PolarHBondContact O-N 3.26Å; L1011-Q1013 VanDerWaalsContact C-N 3.35Å; Q1013-E1017 PolarHBondContact NE2-OE1 3.21Å; Q1013-I1018 HydrophobicContact CB-CD1 4.08Å; Q1013-I1018 HydrophobicContact CB-CG1 3.69Å
1014	P	96.2	Very high	94	Very high	35 Å²	35	62.4 Å²	62.4	23%	0.227	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-58.3	148.2	168.4	-25.4	35.6	0	0	0	112.9	E969 T1016 E1017 I1018	E969-P1014 HydrophobicContact CB-CB 3.97Å; E969-P1014 HydrophobicContact CG-CB 4Å; P1014-T1016 VanDerWaalsContact C-N 3.32Å; P1014-T1016 PolarHBondContact O-N 3.25Å; P1014-E1017 HydrophobicContact CB-CB 4.41Å; P1014-E1017 WeakPolarHBondContact CD-OE2 3.42Å; P1014-E1017 WeakPolarHBondContact O-CB 3.44Å; P1014-E1017 PolarHBondContact O-N 3.15Å; P1014-E1017 VanDerWaalsContact O-N 3.08Å; P1014-I1018 WeakPolarHBondContact O-CG1 3.14Å; P1014-I1018 PolarHBondContact O-N 3.48Å; P1014-I1018 VanDerWaalsContact O-N 3.17Å
1015	M	95.8	Very high	93.7	Very high	1 Å²	1	67.9 Å²	67.9	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-54.4	-44.6	180	-70	-57.4	-70.2	0	0	113	E969 M970 L972 F975 L990 L997 E1017 I1018 V1019 L1036 Y1055	E969-M1015 PolarHBondContact OE1-N 3.44Å; M970-M1015 PolarHBondContact O-N 3.43Å; L972-M1015 HydrophobicContact CB-SD 4.2Å; L972-M1015 HydrophobicContact CD1-SD 4.04Å; F975-M1015 HydrophobicContact CB-SD 4.21Å; F975-M1015 HydrophobicContact CD2-CE 4.46Å; F975-M1015 HydrophobicContact CG-CE 4.42Å; F975-M1015 HydrophobicContact CG-SD 4.26Å; L990-M1015 HydrophobicContact CD2-CE 3.64Å; L990-M1015 HydrophobicContact CG-CE 4.49Å; L997-M1015 HydrophobicContact CD1-CE 4.14Å; M1015-E1017 VanDerWaalsContact C-N 3.32Å; M1015-E1017 PolarHBondContact O-N 3.07Å; M1015-I1018 PolarHBondContact O-N 3.03Å; M1015-V1019 WeakPolarHBondContact O-CG2 3.43Å; M1015-V1019 PolarHBondContact O-N 3.41Å; M1015-L1036 HydrophobicContact CE-CD1 3.62Å; M1015-L1036 HydrophobicContact CE-CD2 4.48Å; M1015-Y1055 HydrophobicContact CB-CD1 4.47Å; M1015-Y1055 HydrophobicContact CB-CE1 3.81Å; M1015-Y1055 HydrophobicContact CB-CE2 4.17Å; M1015-Y1055 HydrophobicContact CG-CE1 4.43Å; M1015-Y1055 HydrophobicContact CG-CE2 3.86Å
1016	T	94.3	Very high	93.4	Very high	27 Å²	27	74.1 Å²	74.1	17%	0.166	34%	0.342	C	S	.	.	H	α-helix	trans	-63.7	-33.8	178.7	60.6	0	0	0	0	113.6	E969 P1014 S1020 L1027 L1034 I1057	E969-T1016 VanDerWaalsContact CD-OG1 3.26Å; E969-T1016 WeakPolarHBondContact OE1-CB 3.45Å; E969-T1016 WeakPolarHBondContact OE1-CG2 3.5Å; E969-T1016 PolarHBondContact OE1-N 2.84Å; E969-T1016 PolarHBondContact OE1-OG1 3.25Å; E969-T1016 WeakPolarHBondContact OE2-CB 3.32Å; E969-T1016 VanDerWaalsContact OE2-CG2 3.31Å; E969-T1016 WeakPolarHBondContact OE2-CG2 3.49Å; E969-T1016 PolarHBondContact OE2-OG1 2.82Å; P1014-T1016 VanDerWaalsContact C-N 3.32Å; P1014-T1016 PolarHBondContact O-N 3.25Å; T1016-S1020 WeakPolarHBondContact O-CB 3.14Å; T1016-S1020 PolarHBondContact O-N 3.02Å; T1016-S1020 PolarHBondContact O-OG 2.95Å; T1016-L1027 HydrophobicContact CG2-CD1 3.63Å; T1016-L1034 HydrophobicContact CG2-CD1 4.23Å; T1016-I1057 HydrophobicContact CG2-CB 4.49Å; T1016-I1057 HydrophobicContact CG2-CD1 3.74Å; T1016-I1057 HydrophobicContact CG2-CG1 3.81Å; T1016-I1057 HydrophobicContact CG2-CG2 3.87Å
1017	E	94.5	Very high	93.1	Very high	88 Å²	88	72.4 Å²	72.4	41%	0.411	34%	0.337	S	S	.	.	H	α-helix	trans	-68.4	-44.1	177.9	-162.5	-161.5	153.1	0	0	110.1	Q1013 P1014 M1015 S1020 R1021	Q1013-E1017 PolarHBondContact NE2-OE1 3.21Å; P1014-E1017 HydrophobicContact CB-CB 4.41Å; P1014-E1017 WeakPolarHBondContact CD-OE2 3.42Å; P1014-E1017 WeakPolarHBondContact O-CB 3.44Å; P1014-E1017 PolarHBondContact O-N 3.15Å; P1014-E1017 VanDerWaalsContact O-N 3.08Å; M1015-E1017 VanDerWaalsContact C-N 3.32Å; M1015-E1017 PolarHBondContact O-N 3.07Å; E1017-S1020 PolarHBondContact O-N 3.09Å; E1017-R1021 VanDerWaalsContact O-CB 3.27Å; E1017-R1021 WeakPolarHBondContact O-CB 3.48Å; E1017-R1021 PolarHBondContact O-N 3.31Å
1018	I	95.6	Very high	92.7	Very high	1 Å²	1	71.8 Å²	71.8	1%	0.005	34%	0.34	C	S	.	.	H	α-helix	trans	-62.6	-48.3	178.1	-58.8	167.8	0	0	0	109.9	L972 L997 R1010 Q1013 P1014 M1015 S1020 R1021 V1022	L972-I1018 HydrophobicContact CB-CD1 3.54Å; L972-I1018 HydrophobicContact CD2-CD1 4.04Å; L972-I1018 HydrophobicContact CG-CD1 4.3Å; L997-I1018 HydrophobicContact CB-CG2 4.12Å; L997-I1018 HydrophobicContact CD2-CG2 4.13Å; R1010-I1018 HydrophobicContact CB-CD1 4.25Å; R1010-I1018 HydrophobicContact CG-CG2 4.44Å; R1010-I1018 WeakPolarHBondContact O-CD1 3.45Å; Q1013-I1018 HydrophobicContact CB-CD1 4.08Å; Q1013-I1018 HydrophobicContact CB-CG1 3.69Å; P1014-I1018 WeakPolarHBondContact O-CG1 3.14Å; P1014-I1018 PolarHBondContact O-N 3.48Å; P1014-I1018 VanDerWaalsContact O-N 3.17Å; M1015-I1018 PolarHBondContact O-N 3.03Å; I1018-S1020 VanDerWaalsContact C-N 3.32Å; I1018-S1020 PolarHBondContact O-N 2.8Å; I1018-R1021 PolarHBondContact O-N 3.37Å; I1018-V1022 HydrophobicContact CG2-CG2 4.17Å; I1018-V1022 WeakPolarHBondContact O-CG2 3.27Å; I1018-V1022 PolarHBondContact O-N 3.29Å
1019	V	94.7	Very high	92.4	Very high	1 Å²	1	75.2 Å²	75.2	1%	0.006	35%	0.349	C	S	.	.	H	α-helix	trans	-57.1	-47.3	177.1	173.1	0	0	0	0	110.7	Q992 L997 M1015 R1021 V1022 S1023 L1027 L1034	Q992-V1019 HydrophobicContact CB-CG2 4.18Å; Q992-V1019 HydrophobicContact CG-CG1 4.19Å; Q992-V1019 HydrophobicContact CG-CG2 4.22Å; L997-V1019 HydrophobicContact CD1-CG2 3.59Å; L997-V1019 HydrophobicContact CD2-CB 4.41Å; L997-V1019 HydrophobicContact CD2-CG2 3.8Å; L997-V1019 HydrophobicContact CG-CG2 4.36Å; M1015-V1019 WeakPolarHBondContact O-CG2 3.43Å; M1015-V1019 PolarHBondContact O-N 3.41Å; V1019-R1021 VanDerWaalsContact C-N 3.3Å; V1019-R1021 PolarHBondContact O-N 3.12Å; V1019-V1022 PolarHBondContact O-N 3.06Å; V1019-S1023 VanDerWaalsContact O-CB 3.25Å; V1019-S1023 WeakPolarHBondContact O-CB 3.5Å; V1019-S1023 PolarHBondContact O-N 3.49Å; V1019-S1023 PolarHBondContact O-OG 2.93Å; V1019-L1027 HydrophobicContact CG1-CD2 3.89Å; V1019-L1027 HydrophobicContact CG1-CG 4.48Å; V1019-L1034 HydrophobicContact CG2-CD1 4.3Å
1020	S	93.8	Very high	91.9	Very high	31 Å²	31	74.8 Å²	74.8	22%	0.217	35%	0.347	C	S	.	.	H	α-helix	trans	-63.1	-37.2	179.8	-61.7	0	0	0	0	112.5	T1016 E1017 I1018 K1024 R1025	T1016-S1020 WeakPolarHBondContact O-CB 3.14Å; T1016-S1020 PolarHBondContact O-N 3.02Å; T1016-S1020 PolarHBondContact O-OG 2.95Å; E1017-S1020 PolarHBondContact O-N 3.09Å; I1018-S1020 VanDerWaalsContact C-N 3.32Å; I1018-S1020 PolarHBondContact O-N 2.8Å; S1020-K1024 WeakPolarHBondContact O-CA 3.23Å; S1020-K1024 PolarHBondContact O-N 2.91Å; S1020-R1025 WeakPolarHBondContact CA-O 3.42Å; S1020-R1025 PolarHBondContact O-N 3.11Å
1021	R	93.3	Very high	91.5	Very high	107 Å²	107	75.2 Å²	75.2	40%	0.404	35%	0.352	S	S	.	.	H	α-helix	trans	-71.6	-44.4	179.9	-175.6	174.5	179.4	-153.3	-5.1	112.2	E1009 E1017 I1018 V1019	E1009-R1021 IonicContact OE2-CZ 3.52Å; E1009-R1021 IonicContact OE2-NH1 2.85Å; E1009-R1021 IonicContact OE2-NH2 3.58Å; E1009-R1021 PolarHBondContact OE2-NH2 2.86Å; E1017-R1021 VanDerWaalsContact O-CB 3.27Å; E1017-R1021 WeakPolarHBondContact O-CB 3.48Å; E1017-R1021 PolarHBondContact O-N 3.31Å; I1018-R1021 PolarHBondContact O-N 3.37Å; V1019-R1021 VanDerWaalsContact C-N 3.3Å; V1019-R1021 PolarHBondContact O-N 3.12Å
1022	V	93.2	Very high	91.2	Very high	38 Å²	38	78.1 Å²	78.1	23%	0.23	36%	0.36	C	S	.	.	H	α-helix	trans	-74.7	-45.6	-177.2	-179.3	0	0	0	0	111.2	L997 I1018 V1019 K1024	L997-V1022 HydrophobicContact CD2-CB 4.33Å; L997-V1022 HydrophobicContact CD2-CG2 4.38Å; I1018-V1022 HydrophobicContact CG2-CG2 4.17Å; I1018-V1022 WeakPolarHBondContact O-CG2 3.27Å; I1018-V1022 PolarHBondContact O-N 3.29Å; V1019-V1022 PolarHBondContact O-N 3.06Å; V1022-K1024 PolarHBondContact O-N 3.42Å
1023	S	90.3	Very high	91.1	Very high	31 Å²	31	73.2 Å²	73.2	22%	0.217	34%	0.335	C	S	.	.	H	α-helix	trans	-71.6	-13.8	178.9	67.1	0	0	0	0	113.5	V1019 R1025	V1019-S1023 VanDerWaalsContact O-CB 3.25Å; V1019-S1023 WeakPolarHBondContact O-CB 3.5Å; V1019-S1023 PolarHBondContact O-N 3.49Å; V1019-S1023 PolarHBondContact O-OG 2.93Å; S1023-R1025 PolarHBondContact O-N 3.37Å; S1023-R1025 VanDerWaalsContact O-N 3.17Å; S1023-R1025 PolarHBondContact OG-N 3.16Å; S1023-R1025 PolarHBondContact OG-O 2.95Å
1024	K	90.8	Very high	90.9	Very high	193 Å²	193	72 Å²	72	84%	0.839	33%	0.33	S	S	*	.	S	Bend	trans	56.2	22.2	-171.2	-55.6	179.6	-177.7	175.6	0	113.2	S1020 V1022	S1020-K1024 WeakPolarHBondContact O-CA 3.23Å; S1020-K1024 PolarHBondContact O-N 2.91Å; V1022-K1024 PolarHBondContact O-N 3.42Å
1025	R	86.7	Confident	90.8	Very high	199 Å²	199	72.7 Å²	72.7	75%	0.751	33%	0.333	S	S	*	.	S	Bend	trans	-130.4	123.2	179	-65.2	178	74.8	-172.5	3.2	108.4	S1020 S1023	S1020-R1025 WeakPolarHBondContact CA-O 3.42Å; S1020-R1025 PolarHBondContact O-N 3.11Å; S1023-R1025 PolarHBondContact O-N 3.37Å; S1023-R1025 VanDerWaalsContact O-N 3.17Å; S1023-R1025 PolarHBondContact OG-N 3.16Å; S1023-R1025 PolarHBondContact OG-O 2.95Å
1026	K	87.5	Confident	90.9	Very high	197 Å²	197	72.6 Å²	72.6	86%	0.857	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-64.4	137.9	173.2	-66.7	-174	179.4	-175.2	0	109.4	G1028	K1026-G1028 PolarHBondContact O-N 3.43Å
1027	L	87	Confident	91	Very high	51 Å²	51	75.7 Å²	75.7	27%	0.267	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-59.9	135.3	172.5	-64.5	177.2	0	0	0	110.5	T1016 V1019 L1034 I1057	T1016-L1027 HydrophobicContact CG2-CD1 3.63Å; V1019-L1027 HydrophobicContact CG1-CD2 3.89Å; V1019-L1027 HydrophobicContact CG1-CG 4.48Å; L1027-L1034 HydrophobicContact CD1-CD1 3.95Å; L1027-L1034 HydrophobicContact CD1-CD2 4.2Å; L1027-L1034 HydrophobicContact CD2-CD2 3.87Å; L1027-I1057 HydrophobicContact CD1-CD1 4.11Å
1028	G	83.9	Confident	91	Very high	27 Å²	27	72.2 Å²	72.2	28%	0.278	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-67.7	148	177	0	0	0	0	0	111.1	K1026 H1030 V1031	K1026-G1028 PolarHBondContact O-N 3.43Å; G1028-H1030 PolarHBondContact O-N 2.93Å; G1028-H1030 VanDerWaalsContact O-N 3.08Å; G1028-V1031 WeakPolarHBondContact O-CB 3.36Å; G1028-V1031 WeakPolarHBondContact O-CG2 3.42Å; G1028-V1031 PolarHBondContact O-N 3.27Å
1029	R	85.9	Confident	90.9	Very high	241 Å²	241	74.1 Å²	74.1	91%	0.909	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-18.7	178.2	-70.3	-170.7	177	-172.3	-0.3	114.5
1030	H	84.2	Confident	90.9	Very high	74 Å²	74	74.1 Å²	74.1	34%	0.343	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-14.6	178.4	59.6	-81.2	0	0	0	112.9	R558 G1028 R1032	R558-H1030 PolarHBondContact NE-CE1 3.04Å; R558-H1030 VanDerWaalsContact NE-CE1 3.33Å; G1028-H1030 PolarHBondContact O-N 2.93Å; G1028-H1030 VanDerWaalsContact O-N 3.08Å; H1030-R1032 PolarHBondContact O-N 2.85Å; H1030-R1032 VanDerWaalsContact O-N 3.16Å
1031	V	86.1	Confident	90.8	Very high	39 Å²	39	74.3 Å²	74.3	24%	0.236	34%	0.341	C	S	.	.			trans	-72.9	110.2	-179	-177.3	0	0	0	0	108.6	G1028 A1033 L1034 I1057	G1028-V1031 WeakPolarHBondContact O-CB 3.36Å; G1028-V1031 WeakPolarHBondContact O-CG2 3.42Å; G1028-V1031 PolarHBondContact O-N 3.27Å; V1031-A1033 VanDerWaalsContact CG1-O 3.29Å; V1031-A1033 WeakPolarHBondContact CG1-O 3.08Å; V1031-L1034 HydrophobicContact CG1-CD2 3.93Å; V1031-I1057 HydrophobicContact CG1-CD1 3.99Å
1032	R	90.2	Very high	90.5	Very high	111 Å²	111	70.2 Å²	70.2	42%	0.419	33%	0.327	S	S	.	.			trans	-91	-29.9	177.4	-71.5	-174.7	176.3	-115	14.7	113.1	D563 H1030 I1057	D563-R1032 IonicContact OD1-CZ 3.04Å; D563-R1032 IonicContact OD1-NH2 3.72Å; D563-R1032 IonicContact OD2-CZ 3.38Å; D563-R1032 VanDerWaalsContact OD2-CZ 3.29Å; D563-R1032 IonicContact OD2-NE 3.06Å; D563-R1032 PolarHBondContact OD2-NE 2.8Å; D563-R1032 IonicContact OD2-NH2 3.7Å; D563-R1032 PolarHBondContact OD2-NH2 3.12Å; H1030-R1032 PolarHBondContact O-N 2.85Å; H1030-R1032 VanDerWaalsContact O-N 3.16Å; R1032-I1057 PolarHBondContact O-N 3.15Å
1033	A	92.2	Very high	90	Very high	12 Å²	12	75.1 Å²	75.1	10%	0.099	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	157.4	178.9	0	0	0	0	0	111.3	Y590 V1031 R1054 Y1055 T1056	Y590-A1033 WeakPolarHBondContact OH-CB 3.31Å; V1031-A1033 VanDerWaalsContact CG1-O 3.29Å; V1031-A1033 WeakPolarHBondContact CG1-O 3.08Å; A1033-R1054 HydrophobicContact CB-CG 4.17Å; A1033-Y1055 CarbonylContact C-O 3.59Å; A1033-Y1055 WeakPolarHBondContact CA-O 3.37Å; A1033-T1056 HydrophobicContact CB-CG2 4.18Å
1034	L	92.8	Very high	89.7	Confident	9 Å²	9	77.9 Å²	77.9	5%	0.047	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	141.1	175	-64.3	167.6	0	0	0	109.1	T1016 V1019 L1027 V1031 L1036 Y1055 I1057	T1016-L1034 HydrophobicContact CG2-CD1 4.23Å; V1019-L1034 HydrophobicContact CG2-CD1 4.3Å; L1027-L1034 HydrophobicContact CD1-CD1 3.95Å; L1027-L1034 HydrophobicContact CD1-CD2 4.2Å; L1027-L1034 HydrophobicContact CD2-CD2 3.87Å; V1031-L1034 HydrophobicContact CG1-CD2 3.93Å; L1034-L1036 HydrophobicContact CB-CD2 4.37Å; L1034-Y1055 HydrophobicContact CD1-CD1 4.23Å; L1034-Y1055 PolarHBondContact N-O 3.21Å; L1034-Y1055 PolarHBondContact O-N 3.22Å; L1034-I1057 HydrophobicContact CD1-CD1 4.07Å; L1034-I1057 HydrophobicContact CD1-CG1 4.28Å; L1034-I1057 HydrophobicContact CG-CD1 3.95Å; L1034-I1057 HydrophobicContact CG-CG1 4.29Å
1035	V	94.9	Very high	89.4	Confident	48 Å²	48	70.7 Å²	70.7	29%	0.291	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	125	166.5	176	0	0	0	0	108	Y590 Y1052 V1053	Y590-V1035 HydrophobicContact CD2-CG2 3.71Å; Y590-V1035 HydrophobicContact CE2-CG2 3.46Å; Y590-V1035 VanDerWaalsContact CE2-CG2 3.46Å; V1035-Y1052 HydrophobicContact CG1-CD2 3.78Å; V1035-Y1052 HydrophobicContact CG1-CE2 4.43Å; V1035-Y1052 HydrophobicContact CG1-CG 4.33Å; V1035-Y1052 HydrophobicContact CG2-CE2 4.47Å; V1035-V1053 WeakPolarHBondContact CA-O 3.32Å
1036	L	97	Very high	89.5	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	135.1	175.3	-47.9	170.6	0	0	0	109.3	F975 L990 S991 Q992 L997 M1015 L1034 V1053 Y1055	F975-L1036 HydrophobicContact CE2-CD1 3.81Å; F975-L1036 HydrophobicContact CZ-CD1 3.75Å; L990-L1036 HydrophobicContact CD1-CB 3.78Å; L990-L1036 HydrophobicContact CD1-CD1 4.18Å; L990-L1036 HydrophobicContact CD1-CG 4.43Å; S991-L1036 WeakPolarHBondContact O-CA 3.4Å; Q992-L1036 HydrophobicContact CB-CD2 3.89Å; Q992-L1036 HydrophobicContact CG-CD2 4.02Å; L997-L1036 HydrophobicContact CD1-CD2 3.95Å; M1015-L1036 HydrophobicContact CE-CD1 3.62Å; M1015-L1036 HydrophobicContact CE-CD2 4.48Å; L1034-L1036 HydrophobicContact CB-CD2 4.37Å; L1036-V1053 HydrophobicContact CB-CB 4.11Å; L1036-V1053 PolarHBondContact N-O 2.83Å; L1036-V1053 PolarHBondContact O-N 3.39Å; L1036-Y1055 HydrophobicContact CD1-CD2 4.5Å; L1036-Y1055 HydrophobicContact CD1-CG 4.27Å
1037	E	95.6	Very high	89.7	Confident	91 Å²	91	63.6 Å²	63.6	43%	0.425	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	140.1	175.6	-55.4	-62.7	164.2	0	0	109.5	L990 S991 Y1052	L990-E1037 WeakPolarHBondContact CA-O 3.39Å; S991-E1037 PolarHBondContact N-O 3.23Å; S991-E1037 PolarHBondContact O-N 3.14Å; E1037-Y1052 WeakPolarHBondContact OE2-CB 3.33Å
1038	L	95.6	Very high	89.9	Confident	16 Å²	16	62.4 Å²	62.4	8%	0.084	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	142.5	-176.2	-57	-178.1	0	0	0	111	F958 F975 F979 I987 M989 L990 V1050 V1053	F958-L1038 HydrophobicContact CD2-CD1 4.49Å; F975-L1038 HydrophobicContact CE1-CD2 4.08Å; F975-L1038 HydrophobicContact CZ-CD2 4.36Å; F979-L1038 HydrophobicContact CD1-CD1 4.02Å; F979-L1038 HydrophobicContact CE1-CD1 3.52Å; F979-L1038 HydrophobicContact CE2-CD1 4.29Å; F979-L1038 HydrophobicContact CZ-CD1 3.68Å; I987-L1038 HydrophobicContact CD1-CD1 4.28Å; I987-L1038 HydrophobicContact CD1-CD2 3.93Å; I987-L1038 HydrophobicContact CG1-CD2 4.38Å; I987-L1038 HydrophobicContact CG2-CD2 4.39Å; M989-L1038 WeakPolarHBondContact O-CA 3.41Å; L990-L1038 HydrophobicContact CB-CD2 4.39Å; L990-L1038 HydrophobicContact CD1-CD2 3.38Å; L990-L1038 HydrophobicContact CG-CD2 4.43Å; L1038-V1050 HydrophobicContact CB-CG2 3.88Å; L1038-V1050 HydrophobicContact CD1-CG2 4.34Å; L1038-V1053 HydrophobicContact CD1-CG2 3.47Å; L1038-V1053 VanDerWaalsContact CD1-CG2 3.47Å; L1038-V1053 HydrophobicContact CD2-CG2 4.2Å; L1038-V1053 HydrophobicContact CG-CG2 3.77Å
1039	C	93.9	Very high	90.3	Very high	40 Å²	40	67.3 Å²	67.3	27%	0.27	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	138.2	149.4	-52.3	0	0	0	0	106.7	T988 M989	T988-C1039 PolarHBondContact N-O 3.05Å; T988-C1039 VanDerWaalsContact OG1-C 3.26Å; T988-C1039 PolarHBondContact OG1-O 3.36Å; M989-C1039 HydrophobicContact CB-CB 3.98Å; M989-C1039 HydrophobicContact CE-CB 4.45Å; M989-C1039 WeakPolarHBondContact CE-SG 3.4Å; M989-C1039 PolarHBondContact N-O 3.26Å; M989-C1039 PolarHBondContact O-N 3.07Å
1040	C	93.5	Very high	90.7	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.007	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	153.4	-174.9	53.4	0	0	0	0	110.5	L985 E986 I987 V1048 V1050	L985-C1040 HydrophobicContact CB-CB 4.13Å; E986-C1040 CarbonylContact O-C 3.37Å; E986-C1040 VanDerWaalsContact O-CA 3.24Å; E986-C1040 WeakPolarHBondContact O-CA 3.28Å; E986-C1040 WeakPolarHBondContact O-CB 3.41Å; I987-C1040 HydrophobicContact CG1-CB 4.44Å; C1040-V1048 WeakPolarHBondContact O-CG2 3.37Å; C1040-V1048 PolarHBondContact O-N 3.09Å; C1040-V1050 WeakPolarHBondContact SG-CG1 3.5Å; C1040-V1050 WeakPolarHBondContact SG-CG2 3.4Å
1041	N	92	Very high	91.2	Very high	36 Å²	36	52.9 Å²	52.9	19%	0.193	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	145.6	169.6	-66.3	3.8	0	0	0	110.3	E986 T988 G1045 E1046	E986-N1041 HydrophobicContact CB-CB 4.46Å; E986-N1041 PolarHBondContact N-O 3.35Å; E986-N1041 PolarHBondContact O-N 3.22Å; T988-N1041 HydrophobicContact CG2-CB 4.31Å; T988-N1041 VanDerWaalsContact CG2-OD1 3.24Å; T988-N1041 WeakPolarHBondContact CG2-OD1 3.49Å; N1041-G1045 PolarHBondContact ND2-O 3.32Å; N1041-E1046 CarbonylContact C-O 3.6Å; N1041-E1046 WeakPolarHBondContact CA-O 3.5Å
1042	D	86.3	Confident	91.7	Very high	21 Å²	21	52.4 Å²	52.4	11%	0.112	28%	0.278	C	S	.	.			trans	-80.9	-174.6	167.4	74.4	6.5	0	0	0	111.7	Y948 S1044 G1045 E1046 V1048	Y948-D1042 HydrophobicContact CD1-CB 4.25Å; Y948-D1042 HydrophobicContact CD2-CB 4.33Å; Y948-D1042 HydrophobicContact CE1-CB 3.65Å; Y948-D1042 HydrophobicContact CE2-CB 3.75Å; Y948-D1042 VanDerWaalsContact CZ-CB 3.43Å; Y948-D1042 VanDerWaalsContact OH-CA 3.28Å; Y948-D1042 WeakPolarHBondContact OH-CA 3.45Å; D1042-S1044 PolarHBondContact O-N 3.14Å; D1042-S1044 WeakPolarHBondContact OD1-CA 3.33Å; D1042-S1044 VanDerWaalsContact OD1-CB 3.28Å; D1042-S1044 WeakPolarHBondContact OD1-CB 3.43Å; D1042-S1044 PolarHBondContact OD1-N 2.95Å; D1042-S1044 VanDerWaalsContact OD1-N 3.08Å; D1042-S1044 PolarHBondContact OD1-OG 2.97Å; D1042-S1044 PolarHBondContact OD2-OG 3.48Å; D1042-G1045 WeakPolarHBondContact O-CA 3.48Å; D1042-G1045 PolarHBondContact O-N 3.34Å; D1042-G1045 PolarHBondContact OD1-N 3Å; D1042-E1046 PolarHBondContact N-O 3.42Å; D1042-E1046 PolarHBondContact OD1-N 2.84Å; D1042-V1048 HydrophobicContact CB-CG1 4.07Å; D1042-V1048 HydrophobicContact CB-CG2 4.07Å
1043	E	83.7	Confident	92	Very high	141 Å²	141	47.1 Å²	47.1	66%	0.659	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-19.8	-173.4	-80.9	166.2	173.6	0	0	108.9	Y948 K984 G1045	Y948-E1043 HydrophobicContact CE1-CB 3.62Å; Y948-E1043 HydrophobicContact CE1-CG 4.01Å; Y948-E1043 WeakPolarHBondContact OH-CA 3.44Å; Y948-E1043 WeakPolarHBondContact OH-CB 3.29Å; Y948-E1043 WeakPolarHBondContact OH-CG 3.2Å; Y948-E1043 PolarHBondContact OH-N 2.9Å; K984-E1043 HydrophobicContact CB-CG 4.38Å; E1043-G1045 PolarHBondContact O-N 2.92Å
1044	S	83.1	Confident	92.2	Very high	88 Å²	88	47.8 Å²	47.8	62%	0.615	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-16.5	165.1	11.4	0	0	0	0	112.4	D1042	D1042-S1044 PolarHBondContact O-N 3.14Å; D1042-S1044 WeakPolarHBondContact OD1-CA 3.33Å; D1042-S1044 VanDerWaalsContact OD1-CB 3.28Å; D1042-S1044 WeakPolarHBondContact OD1-CB 3.43Å; D1042-S1044 PolarHBondContact OD1-N 2.95Å; D1042-S1044 VanDerWaalsContact OD1-N 3.08Å; D1042-S1044 PolarHBondContact OD1-OG 2.97Å; D1042-S1044 PolarHBondContact OD2-OG 3.48Å
1045	G	84.8	Confident	92.4	Very high	42 Å²	42	47.4 Å²	47.4	43%	0.433	26%	0.256	S	S	.	.			trans	83.7	11.8	-176.6	0	0	0	0	0	113.5	N1041 D1042 E1043	N1041-G1045 PolarHBondContact ND2-O 3.32Å; D1042-G1045 WeakPolarHBondContact O-CA 3.48Å; D1042-G1045 PolarHBondContact O-N 3.34Å; D1042-G1045 PolarHBondContact OD1-N 3Å; E1043-G1045 PolarHBondContact O-N 2.92Å
1046	E	88.8	Confident	92.4	Very high	135 Å²	135	46.7 Å²	46.7	63%	0.631	25%	0.252	S	S	*	.			trans	-87.8	142.9	177.6	-64.2	-172.4	175.3	0	0	110.3	N1041 D1042 V1048	N1041-E1046 CarbonylContact C-O 3.6Å; N1041-E1046 WeakPolarHBondContact CA-O 3.5Å; D1042-E1046 PolarHBondContact N-O 3.42Å; D1042-E1046 PolarHBondContact OD1-N 2.84Å; E1046-V1048 PolarHBondContact O-N 3.36Å
1047	D	92.1	Very high	92.1	Very high	112 Å²	112	47.8 Å²	47.8	60%	0.599	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.5	126.7	177.8	-168.2	17.3	0	0	0	109.5
1048	V	91.4	Very high	91	Very high	26 Å²	26	54 Å²	54	16%	0.158	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	141.2	-175.3	-67.7	0	0	0	0	111.1	L985 C1040 D1042 E1046 V1050	L985-V1048 HydrophobicContact CD2-CG2 4.19Å; C1040-V1048 WeakPolarHBondContact O-CG2 3.37Å; C1040-V1048 PolarHBondContact O-N 3.09Å; D1042-V1048 HydrophobicContact CB-CG1 4.07Å; D1042-V1048 HydrophobicContact CB-CG2 4.07Å; E1046-V1048 PolarHBondContact O-N 3.36Å; V1048-V1050 HydrophobicContact CG2-CG1 4.05Å
1049	E	91.6	Very high	90.8	Very high	130 Å²	130	55.9 Å²	55.9	61%	0.607	29%	0.287	S	S	*	.			trans	-78.8	133.2	171.2	-161.1	-173	168.6	0	0	110	H945 W952	H945-E1049 IonicContact ND1-OE2 2.69Å; W952-E1049 HydrophobicContact CZ2-CB 4.47Å; W952-E1049 HydrophobicContact CZ2-CG 3.98Å; W952-E1049 PolarHBondContact NE1-O 3.14Å
1050	V	94.2	Very high	90.6	Very high	8 Å²	8	56.7 Å²	56.7	5%	0.048	29%	0.288	C	S	.	.			trans	-134.4	161.4	-175.3	-63.5	0	0	0	0	110.6	Y947 F958 L985 L1038 C1040 V1048	Y947-V1050 HydrophobicContact CD1-CG1 3.97Å; Y947-V1050 HydrophobicContact CD2-CG1 4.4Å; Y947-V1050 HydrophobicContact CG-CG1 3.89Å; F958-V1050 HydrophobicContact CE2-CB 4.09Å; F958-V1050 HydrophobicContact CE2-CG2 4.3Å; L985-V1050 HydrophobicContact CD1-CB 4.4Å; L985-V1050 HydrophobicContact CD1-CG1 3.87Å; L985-V1050 HydrophobicContact CD2-CG1 4.21Å; L1038-V1050 HydrophobicContact CB-CG2 3.88Å; L1038-V1050 HydrophobicContact CD1-CG2 4.34Å; C1040-V1050 WeakPolarHBondContact SG-CG1 3.5Å; C1040-V1050 WeakPolarHBondContact SG-CG2 3.4Å; V1048-V1050 HydrophobicContact CG2-CG1 4.05Å
1051	P	95.1	Very high	90.5	Very high	4 Å²	4	59.8 Å²	59.8	3%	0.026	30%	0.303	C	S	.	.			trans	-55.4	151.6	174.1	-20	26.6	0	0	0	112.8	Y947 W952 D956 F958	Y947-P1051 HydrophobicContact CE1-CG 4.4Å; W952-P1051 HydrophobicContact CB-CG 3.68Å; W952-P1051 HydrophobicContact CD2-CB 4.28Å; W952-P1051 VanDerWaalsContact CD2-CD 3.46Å; W952-P1051 HydrophobicContact CD2-CG 3.49Å; W952-P1051 VanDerWaalsContact CD2-CG 3.49Å; W952-P1051 HydrophobicContact CE3-CB 3.83Å; W952-P1051 HydrophobicContact CE3-CG 3.51Å; W952-P1051 HydrophobicContact CG-CG 3.57Å; W952-P1051 HydrophobicContact CZ3-CB 4.25Å; W952-P1051 HydrophobicContact CZ3-CG 4.34Å; D956-P1051 HydrophobicContact CB-CG 4.44Å; F958-P1051 HydrophobicContact CD2-CB 4.12Å; F958-P1051 VanDerWaalsContact CD2-O 3.31Å; F958-P1051 WeakPolarHBondContact CD2-O 3.25Å; F958-P1051 HydrophobicContact CE2-CB 4.06Å; F958-P1051 HydrophobicContact CE2-CG 4.02Å; F958-P1051 WeakPolarHBondContact CE2-O 2.93Å; F958-P1051 HydrophobicContact CZ-CG 4.24Å
1052	Y	96	Very high	90.4	Very high	29 Å²	29	61.2 Å²	61.2	11%	0.114	31%	0.31	C	S	.	.			trans	-66.1	165	168.7	71.4	-85.4	0	0	0	111.5	Y590 R957 F958 V1035 E1037	Y590-Y1052 HydrophobicContact CD2-CE2 4.27Å; R957-Y1052 CarbonylContact C-O 3.58Å; R957-Y1052 WeakPolarHBondContact CA-O 3.46Å; R957-Y1052 HydrophobicContact CB-CD1 4.25Å; R957-Y1052 HydrophobicContact CB-CD2 4.1Å; R957-Y1052 HydrophobicContact CB-CE1 3.89Å; R957-Y1052 HydrophobicContact CB-CE2 3.75Å; R957-Y1052 HydrophobicContact CB-CG 4.36Å; R957-Y1052 WeakPolarHBondContact CB-O 3.47Å; R957-Y1052 HydrophobicContact CG-CE2 4.41Å; R957-Y1052 PolarHBondContact NE-OH 3.47Å; R957-Y1052 VanDerWaalsContact NE-OH 3.11Å; R957-Y1052 PolarHBondContact NH1-OH 2.99Å; R957-Y1052 PolarHBondContact NH2-OH 3.18Å; F958-Y1052 PolarHBondContact N-O 3Å; V1035-Y1052 HydrophobicContact CG1-CD2 3.78Å; V1035-Y1052 HydrophobicContact CG1-CE2 4.43Å; V1035-Y1052 HydrophobicContact CG1-CG 4.33Å; V1035-Y1052 HydrophobicContact CG2-CE2 4.47Å; E1037-Y1052 WeakPolarHBondContact OE2-CB 3.33Å
1053	V	97.6	Very high	90.6	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	128.5	178.1	-169.3	0	0	0	0	110.6	F958 V960 F975 F979 V1035 L1036 L1038	F958-V1053 HydrophobicContact CB-CB 4.43Å; F958-V1053 HydrophobicContact CB-CG1 4.21Å; F958-V1053 HydrophobicContact CB-CG2 4.15Å; F958-V1053 HydrophobicContact CD2-CG2 4.27Å; F958-V1053 CarbonylContact O-C 3.58Å; F958-V1053 WeakPolarHBondContact O-CA 3.46Å; V960-V1053 HydrophobicContact CB-CG1 3.93Å; V960-V1053 HydrophobicContact CG2-CG1 3.49Å; V960-V1053 VanDerWaalsContact CG2-CG1 3.49Å; F975-V1053 HydrophobicContact CE2-CG1 4.15Å; F975-V1053 HydrophobicContact CZ-CG1 4.23Å; F975-V1053 HydrophobicContact CZ-CG2 4.14Å; F979-V1053 HydrophobicContact CE1-CG2 4.41Å; F979-V1053 HydrophobicContact CE2-CG2 4.21Å; F979-V1053 HydrophobicContact CZ-CG1 4.37Å; F979-V1053 HydrophobicContact CZ-CG2 3.57Å; V1035-V1053 WeakPolarHBondContact CA-O 3.32Å; L1036-V1053 HydrophobicContact CB-CB 4.11Å; L1036-V1053 PolarHBondContact N-O 2.83Å; L1036-V1053 PolarHBondContact O-N 3.39Å; L1038-V1053 HydrophobicContact CD1-CG2 3.47Å; L1038-V1053 VanDerWaalsContact CD1-CG2 3.47Å; L1038-V1053 HydrophobicContact CD2-CG2 4.2Å; L1038-V1053 HydrophobicContact CG-CG2 3.77Å
1054	R	96.7	Very high	91.1	Very high	27 Å²	27	58.6 Å²	58.6	10%	0.102	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	99.1	161.3	174.3	172.3	174.5	121.3	14	108.3	D562 Y590 R957 F958 E959 V960 A1033 T1056	D562-R1054 IonicContact OD2-CZ 2.9Å; D562-R1054 IonicContact OD2-NH1 2.69Å; D562-R1054 IonicContact OD2-NH2 3.92Å; D562-R1054 PolarHBondContact OD2-NH2 3.33Å; Y590-R1054 VanDerWaalsContact CE1-NH1 3.35Å; Y590-R1054 HydrophobicContact CE2-CG 4.43Å; Y590-R1054 PolarHBondContact OH-NH1 2.99Å; R957-R1054 VanDerWaalsContact CD-CB 3.47Å; R957-R1054 HydrophobicContact CG-CB 4.21Å; F958-R1054 PolarHBondContact O-N 3.01Å; E959-R1054 VanDerWaalsContact OE2-CD 3.26Å; E959-R1054 WeakPolarHBondContact OE2-CD 3.49Å; E959-R1054 WeakPolarHBondContact OE2-CG 3.28Å; E959-R1054 IonicContact OE2-NE 3.59Å; V960-R1054 PolarHBondContact N-O 2.9Å; A1033-R1054 HydrophobicContact CB-CG 4.17Å; R1054-T1056 HydrophobicContact CG-CG2 4.26Å; R1054-T1056 PolarHBondContact O-N 2.86Å
1055	Y	96.8	Very high	91.7	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	103.7	176.2	-177.9	-93.9	0	0	0	110	V960 G962 E969 M970 F975 M1015 A1033 L1034 L1036 I1057	V960-Y1055 HydrophobicContact CB-CD2 4.2Å; V960-Y1055 HydrophobicContact CG1-CD2 3.79Å; V960-Y1055 HydrophobicContact CG1-CE2 4.13Å; G962-Y1055 VanDerWaalsContact CA-CE2 3.44Å; G962-Y1055 VanDerWaalsContact CA-OH 3.31Å; G962-Y1055 WeakPolarHBondContact CA-OH 3.49Å; E969-Y1055 WeakPolarHBondContact CG-OH 3.34Å; E969-Y1055 WeakPolarHBondContact OE1-CE1 3.44Å; E969-Y1055 PolarHBondContact OE1-OH 3.49Å; M970-Y1055 HydrophobicContact CB-CE2 4.16Å; M970-Y1055 PolarHBondContact O-OH 3.1Å; M970-Y1055 HydrophobicContact SD-CE2 4.38Å; F975-Y1055 HydrophobicContact CD2-CD2 4.33Å; F975-Y1055 HydrophobicContact CD2-CE2 4.46Å; F975-Y1055 HydrophobicContact CE2-CD2 4.22Å; M1015-Y1055 HydrophobicContact CB-CD1 4.47Å; M1015-Y1055 HydrophobicContact CB-CE1 3.81Å; M1015-Y1055 HydrophobicContact CB-CE2 4.17Å; M1015-Y1055 HydrophobicContact CG-CE1 4.43Å; M1015-Y1055 HydrophobicContact CG-CE2 3.86Å; A1033-Y1055 CarbonylContact C-O 3.59Å; A1033-Y1055 WeakPolarHBondContact CA-O 3.37Å; L1034-Y1055 HydrophobicContact CD1-CD1 4.23Å; L1034-Y1055 PolarHBondContact N-O 3.21Å; L1034-Y1055 PolarHBondContact O-N 3.22Å; L1036-Y1055 HydrophobicContact CD1-CD2 4.5Å; L1036-Y1055 HydrophobicContact CD1-CG 4.27Å; Y1055-I1057 HydrophobicContact CD1-CG1 4.3Å; Y1055-I1057 HydrophobicContact CE1-CG1 4.38Å; Y1055-I1057 PolarHBondContact O-N 3.46Å
1056	T	94.6	Very high	92.2	Very high	34 Å²	34	57.6 Å²	57.6	21%	0.209	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	114.5	-179.8	50	0	0	0	0	110.3	V960 Q961 G962 A1033 R1054 R1058	V960-T1056 PolarHBondContact O-N 3.15Å; V960-T1056 PolarHBondContact O-OG1 2.94Å; Q961-T1056 WeakPolarHBondContact CA-OG1 3.41Å; G962-T1056 VanDerWaalsContact CA-O 3.25Å; G962-T1056 WeakPolarHBondContact CA-O 3.34Å; G962-T1056 PolarHBondContact N-O 2.69Å; A1033-T1056 HydrophobicContact CB-CG2 4.18Å; R1054-T1056 HydrophobicContact CG-CG2 4.26Å; R1054-T1056 PolarHBondContact O-N 2.86Å; T1056-R1058 VanDerWaalsContact C-N 3.34Å
1057	I	90.7	Very high	92.5	Very high	22 Å²	22	51.2 Å²	51.2	11%	0.113	23%	0.234	C	C	.	.			trans	-72.1	-34.7	-179.5	-55.2	171.2	0	0	0	110	T1016 L1027 V1031 R1032 L1034 Y1055	T1016-I1057 HydrophobicContact CG2-CB 4.49Å; T1016-I1057 HydrophobicContact CG2-CD1 3.74Å; T1016-I1057 HydrophobicContact CG2-CG1 3.81Å; T1016-I1057 HydrophobicContact CG2-CG2 3.87Å; L1027-I1057 HydrophobicContact CD1-CD1 4.11Å; V1031-I1057 HydrophobicContact CG1-CD1 3.99Å; R1032-I1057 PolarHBondContact O-N 3.15Å; L1034-I1057 HydrophobicContact CD1-CD1 4.07Å; L1034-I1057 HydrophobicContact CD1-CG1 4.28Å; L1034-I1057 HydrophobicContact CG-CD1 3.95Å; L1034-I1057 HydrophobicContact CG-CG1 4.29Å; Y1055-I1057 HydrophobicContact CD1-CG1 4.3Å; Y1055-I1057 HydrophobicContact CE1-CG1 4.38Å; Y1055-I1057 PolarHBondContact O-N 3.46Å
1058	R	72.9	Confident	92.5	Very high	222 Å²	222	45.6 Å²	45.6	84%	0.838	20%	0.201	S	C	*	.			trans	-143.4	0	-174.1	-62.6	-174.9	-177.1	170.6	0.4	112.6	T1056	T1056-R1058 VanDerWaalsContact C-N 3.34Å

Retrieved 1,058 of 1,058 residues in 2730.1 ms (Link to these results)

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