A0A087WZR0_HUMAN Loading...

Proprotein convertase subtilisin/kexin type 6

AlphaFold DB , UniProt , Accession A0A087WZR0, Species HUMAN (Homo sapiens, Human), Gene PCSK6, Length 962 aa.

						>A0A087WZR0_HUMAN|A0A087WZR0|PCSK6
MPPRAPPAPGPRPPPRAAAATDTAAGAGGAGGAGGAGGPGFRPLAPRPWRWLLLLALPAACSAPPPRPVYTNHWAVQVLGGPAEADRVAAAHGYLNLGQIGNLEDYYHFYHSKTFKRSTLSSRGPHTFLRMDPQVKWLQQQEVKRRVKRQVRSDPQALYFNDPIWSNMWYLHCGDKNSRCRSEMNVQAAWKRGYTGKNVVVTILDDGIERNHPDLAPNYDSYASYDVNGNDYDPSPRYDASNENKHGTRCAGEVAASANNSYCIVGIAYNAKIGGIRMLDGDVTDVVEAKSLGIRPNYIDIYSASWGPDDDGKTVDGPGRLAKQAFEYGIKKGRQGLGSIFVWASGNGGREGDYCSCDGYTNSIYTISVSSATENGYKPWYLEECASTLATTYSSGAFYERKIVTTDLRQRCTDGHTGTSVSAPMVAGIIALALEANSQLTWRDVQHLLVKTSRPAHLKASDWKVNGAGHKVSHFYGFGLVDAEALVVEAKKWTAVPSQHMCVAASDKRPRSIPLVQVLRTTALTSACAEHSDQRVVYLEHVVVRTSISHPRRGDLQIYLVSPSGTKSQLLAKRLLDLSNEGFTNWEFMTVHCWGEKAEGQWTLEIQDLPSQVRNPEKQGKLKEWSLILYGTAEHPYHTFSAHQSRSRMLELSAPELEPPKAALSPSQVEVPEDEEDYTGVCHPECGDKGCDGPNADQCLNCVHFSLGSVKTSRKCVSVCPLGYFGDTAARRCRRCHKGCETCSSRAATQCLSCRRGFYHHQEMNTCVTLCPAGFYADESQKNCLKCHPSCKKCVDEPEKCTVCKEGFSLARGSCIPDCEPGTYFDSELIRCGECHHTCGTCVGPGREECIHCAKNFHFHDWKCVPACGEGFYPEEMPGLPHKVCRRYGPPGGERQAAVSSKGVPGGQSLAASSPGAGEGMLHHPTVDRSPFTELLRGLRPFVHWMHICWVPAVGRHRAAAG
					

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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	29.7	Very low	42	Very low	240 Å²	240	132.5 Å²	132.5	100%	1.182	82%	0.819	S	S	*	*				0	122.3	0	-68.7	170.8	172.4	0	0	108.3
2	P	56.6	Low	41.2	Very low	122 Å²	122	141.8 Å²	141.8	79%	0.792	83%	0.827	S	S	*	*			trans	-84.2	154.1	165.5	36.5	-33.5	0	0	0	110
3	P	42.4	Very low	40.6	Very low	115 Å²	115	140.2 Å²	140.2	75%	0.747	82%	0.824	S	S	*	*				-145.2	-170.9	86.4	42.9	-25.5	0	0	0	111.9
4	R	32.8	Very low	40.4	Very low	236 Å²	236	137.9 Å²	137.9	89%	0.891	82%	0.815	S	S	*	*			cis	-159.3	142.2	8.7	-142.4	160.3	-166.3	-172.6	5.3	109.8
5	A	42	Very low	40.1	Very low	86 Å²	86	137.5 Å²	137.5	71%	0.711	82%	0.818	S	S	*	*			trans	-100.7	164.4	147.6	0	0	0	0	0	107
6	P	49.5	Very low	39.5	Very low	119 Å²	119	144.1 Å²	144.1	77%	0.773	83%	0.825	S	S	*	*			cis	-143.1	-143.2	41.3	41.4	-16.8	0	0	0	110.2
7	P	45.1	Very low	39	Very low	117 Å²	117	141.5 Å²	141.5	76%	0.76	83%	0.825	S	S	*	*			cis	-132.4	-177.9	-12.5	41.1	-23.3	0	0	0	115.8
8	A	41.9	Very low	38.5	Very low	96 Å²	96	139.6 Å²	139.6	79%	0.793	83%	0.828	S	S	*	*			trans	-119.8	142.4	166.9	0	0	0	0	0	111.7
9	P	39.5	Very low	38	Very low	132 Å²	132	137.5 Å²	137.5	86%	0.857	83%	0.828	S	S	*	*			trans	-110.9	166.1	146	37	-28.1	0	0	0	109.6
10	G	34.6	Very low	37.6	Very low	63 Å²	63	134.7 Å²	134.7	65%	0.649	82%	0.82	S	S	*	*			cis	158.4	140.7	4.6	0	0	0	0	0	107.6
11	P	47.8	Very low	37.2	Very low	131 Å²	131	134.1 Å²	134.1	85%	0.851	82%	0.817	S	S	*	*			trans	-80.7	160.1	-161.3	31.7	-37.1	0	0	0	114.9
12	R	32.2	Very low	37.2	Very low	244 Å²	244	129.7 Å²	129.7	92%	0.921	80%	0.798	S	S	*	*			trans	-136	135.8	159.7	-75.9	-167.7	175.6	-163.7	-0.9	110.9
13	P	34.4	Very low	35.9	Very low	121 Å²	121	130.5 Å²	130.5	79%	0.786	80%	0.801	S	S	*	*			trans	-100	-160.7	177.3	44.1	-38.2	0	0	0	111.1
14	P	38	Very low	35.3	Very low	108 Å²	108	129.6 Å²	129.6	70%	0.701	80%	0.803	S	S	*	*				-97.4	167.7	-110	38.7	-24.7	0	0	0	114.7
15	P	34.7	Very low	35.3	Very low	133 Å²	133	123.7 Å²	123.7	86%	0.864	80%	0.804	S	S	*	*			trans	-69.1	151.7	164	31.9	-35.1	0	0	0	111
16	R	31.4	Very low	34.7	Very low	243 Å²	243	122.9 Å²	122.9	92%	0.917	81%	0.805	S	S	*	*			trans	-126.7	123	177.1	-148.6	-178.2	-167.8	-164.5	3	110.9
17	A	30.1	Very low	33.7	Very low	100 Å²	100	122.8 Å²	122.8	83%	0.826	81%	0.814	S	S	*	*			trans	34.2	128.7	159.2	0	0	0	0	0	120.4
18	A	31.1	Very low	32.9	Very low	106 Å²	106	121.2 Å²	121.2	88%	0.876	82%	0.819	S	S	*	*			trans	-87.9	156.9	166.4	0	0	0	0	0	112.7
19	A	28.4	Very low	32.2	Very low	101 Å²	101	120.3 Å²	120.3	84%	0.835	82%	0.819	S	S	*	*			trans	-159.3	150.9	152.3	0	0	0	0	0	107.3
20	A	29.6	Very low	31.7	Very low	80 Å²	80	119.6 Å²	119.6	66%	0.661	82%	0.824	S	S	*	*			cis	-171.1	178.8	-22.4	0	0	0	0	0	106.1
21	T	29.1	Very low	31.4	Very low	123 Å²	123	120.6 Å²	120.6	76%	0.755	84%	0.835	S	S	*	*			trans	66.9	144.3	170.3	74	0	0	0	0	116.9
22	D	29.4	Very low	30.4	Very low	148 Å²	148	118.1 Å²	118.1	79%	0.791	83%	0.833	S	S	*	*			cis	-150.3	166.6	-24.9	-108	-34	0	0	0	111.2
23	T	29.7	Very low	30.2	Very low	138 Å²	138	111.9 Å²	111.9	85%	0.847	83%	0.833	S	S	*	*			trans	-80.3	159.5	-172.7	41.8	0	0	0	0	114.7
24	A	31	Very low	30	Very low	96 Å²	96	110.2 Å²	110.2	79%	0.793	84%	0.838	S	S	*	*			trans	-96.1	-175.9	176.4	0	0	0	0	0	112.8
25	A	32.1	Very low	29.5	Very low	112 Å²	112	108.6 Å²	108.6	93%	0.926	84%	0.841	S	S	*	*			trans	78.8	151.4	178.6	0	0	0	0	0	116.1
26	G	28.5	Very low	29.3	Very low	70 Å²	70	107.8 Å²	107.8	72%	0.722	85%	0.846	S	S	*	*			cis	156.4	167.5	-10.4	0	0	0	0	0	114.5
27	A	29.4	Very low	29.2	Very low	117 Å²	117	100.4 Å²	100.4	97%	0.967	85%	0.845	S	S	*	*			trans	63.3	170.9	173.6	0	0	0	0	0	117.5
28	G	27.6	Very low	29	Very low	84 Å²	84	99.2 Å²	99.2	87%	0.866	84%	0.842	S	S	*	*			trans	125.7	104.2	172.8	0	0	0	0	0	113.9
29	G	27.4	Very low	29.8	Very low	76 Å²	76	100.6 Å²	100.6	78%	0.784	84%	0.842	S	S	*	*			trans	-108.1	178.3	-176	0	0	0	0	0	115.9
30	A	29.7	Very low	29.8	Very low	117 Å²	117	99 Å²	99	97%	0.967	84%	0.836	S	S	*	*			trans	81.9	134.8	159.1	0	0	0	0	0	121
31	G	27.5	Very low	29.8	Very low	85 Å²	85	105.2 Å²	105.2	88%	0.876	85%	0.848	S	S	*	*			trans	124.5	130.8	151.3	0	0	0	0	0	117.2
32	G	27.3	Very low	29.7	Very low	79 Å²	79	110.3 Å²	110.3	81%	0.814	85%	0.854	S	S	*	*			trans	119.2	75.9	149.9	0	0	0	0	0	120.7
33	A	28.5	Very low	30.6	Very low	112 Å²	112	108.7 Å²	108.7	93%	0.926	85%	0.851	S	S	*	*			trans	23.6	139.1	142.4	0	0	0	0	0	124.5
34	G	29	Very low	30.7	Very low	86 Å²	86	110.6 Å²	110.6	89%	0.887	86%	0.855	S	S	*	*			trans	105.8	136.9	153.1	0	0	0	0	0	116.1
35	G	28.4	Very low	30.6	Very low	74 Å²	74	109.9 Å²	109.9	76%	0.763	85%	0.85	S	S	*	*			cis	174.5	161.3	-8.6	0	0	0	0	0	113.7
36	A	30	Very low	31.2	Very low	117 Å²	117	109.7 Å²	109.7	97%	0.967	84%	0.839	S	S	*	*			trans	66.7	146.8	171	0	0	0	0	0	119.9
37	G	29.3	Very low	31.5	Very low	88 Å²	88	117 Å²	117	91%	0.907	84%	0.844	S	S	*	*			trans	125	87.6	160.7	0	0	0	0	0	118.2
38	G	26.3	Very low	32.2	Very low	74 Å²	74	116.4 Å²	116.4	76%	0.763	83%	0.831	S	S	*	*			trans	-135.7	-164.5	155.7	0	0	0	0	0	109.2
39	P	48.5	Very low	32.4	Very low	135 Å²	135	121.9 Å²	121.9	88%	0.877	83%	0.826	S	S	*	*			cis	-138.1	-173	-2.4	43.1	-25.8	0	0	0	114.8
40	G	28.2	Very low	32.5	Very low	67 Å²	67	126.3 Å²	126.3	69%	0.691	82%	0.819	S	S	*	*			trans	99	153.6	162	0	0	0	0	0	115.8
41	F	29.3	Very low	32.8	Very low	212 Å²	212	130.6 Å²	130.6	93%	0.93	81%	0.81	S	S	*	*			cis	-141.7	169.1	-1	-107.7	-91.1	0	0	0	111.7
42	R	26.9	Very low	33.1	Very low	230 Å²	230	134.3 Å²	134.3	87%	0.868	81%	0.809	S	S	*	*			trans	-92.8	-169.8	174	-65.8	176.9	163.4	-174.4	-3.7	111
43	P	48.4	Very low	33.5	Very low	113 Å²	113	138.9 Å²	138.9	73%	0.734	81%	0.814	S	S	*	*				-128.3	-176.7	-70.2	39.8	-24.9	0	0	0	111.7
44	L	30.8	Very low	33.9	Very low	178 Å²	178	141.3 Å²	141.3	93%	0.932	81%	0.81	S	S	*	*			trans	-170.8	163.8	143.7	-106.4	158.3	0	0	0	112.6
45	A	30.3	Very low	34.2	Very low	82 Å²	82	144.6 Å²	144.6	68%	0.678	81%	0.807	S	S	*	*			trans	-153	-175.3	-178.6	0	0	0	0	0	108
46	P	44.9	Very low	34.5	Very low	108 Å²	108	146.2 Å²	146.2	70%	0.701	81%	0.813	S	S	*	*			cis	-142.6	155.5	0.5	40.3	-21.3	0	0	0	118.2
47	R	34.3	Very low	34.8	Very low	222 Å²	222	147.4 Å²	147.4	84%	0.838	80%	0.802	S	S	*	*			trans	64.2	172.5	144	-78.4	-176.9	173.7	-176.8	-1.2	118.4
48	P	44.9	Very low	35.3	Very low	105 Å²	105	148.9 Å²	148.9	68%	0.682	80%	0.796	S	S	*	*			cis	-126	170.4	2.6	43	-28.7	0	0	0	117.4
49	W	31.1	Very low	35.7	Very low	199 Å²	199	150 Å²	150	75%	0.754	80%	0.798	S	S	*	*			trans	24	140.3	141.2	-65.3	-9	0	0	0	121.7
50	R	30.2	Very low	35.2	Very low	169 Å²	169	148 Å²	148	64%	0.638	79%	0.793	S	S	*	*			cis	-145.5	164.5	3.7	-82	128.6	175.6	-124.9	6.8	106.6
51	W	34.1	Very low	35.4	Very low	207 Å²	207	151.2 Å²	151.2	78%	0.784	80%	0.803	S	S	*	*				-175.6	166.2	64.5	-86.8	99.9	0	0	0	111.6
52	L	35.5	Very low	35.9	Very low	164 Å²	164	146.4 Å²	146.4	86%	0.859	80%	0.796	S	S	*	*			trans	58.9	98	157.7	-68.8	162.7	0	0	0	118
53	L	34.3	Very low	36.8	Very low	174 Å²	174	139.6 Å²	139.6	91%	0.911	79%	0.788	S	S	*	*			trans	-136.9	97.5	161.4	-146.7	179.8	0	0	0	108.6
54	L	36.8	Very low	36.7	Very low	164 Å²	164	139.6 Å²	139.6	86%	0.859	79%	0.789	S	S	*	*			trans	-161.3	151.9	173.8	-109.4	169.2	0	0	0	108.9
55	L	35	Very low	37.9	Very low	155 Å²	155	136.5 Å²	136.5	81%	0.812	78%	0.779	S	S	*	*			trans	76.7	72	-171.9	-58.6	171.3	0	0	0	116.2
56	A	36.3	Very low	39.4	Very low	107 Å²	107	138.2 Å²	138.2	88%	0.884	78%	0.784	S	S	*	*			trans	-96.8	101.7	148.8	0	0	0	0	0	108.8
57	L	35	Very low	40.7	Very low	142 Å²	142	142.6 Å²	142.6	74%	0.743	79%	0.786	S	S	*	*			trans	-104.2	144.9	165.9	-82.1	165.7	0	0	0	108.6	A59	L57-A59 PolarHBondContact O-N 3.47Å
58	P	40	Very low	42.7	Very low	120 Å²	120	134.8 Å²	134.8	78%	0.779	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-66.3	128.5	179.4	27.7	-33.6	0	0	0	110.2	A60	P58-A60 PolarHBondContact O-N 2.95Å
59	A	34.6	Very low	44.6	Very low	97 Å²	97	131.9 Å²	131.9	80%	0.802	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-65.8	116.5	173.9	0	0	0	0	0	109.6	L57 C61	L57-A59 PolarHBondContact O-N 3.47Å; A59-C61 PolarHBondContact O-N 3.06Å
60	A	37.9	Very low	47.2	Very low	93 Å²	93	124.2 Å²	124.2	77%	0.769	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-63.5	129.9	173.7	0	0	0	0	0	109.9	P58 S62	P58-A60 PolarHBondContact O-N 2.95Å; A60-S62 PolarHBondContact O-N 2.78Å
61	C	33.9	Very low	49.8	Very low	134 Å²	134	117.3 Å²	117.3	91%	0.905	69%	0.692	S	S	*	*			trans	-64.8	93.7	175.5	-68.1	0	0	0	0	110.4	A59 A63	A59-C61 PolarHBondContact O-N 3.06Å; C61-A63 PolarHBondContact O-N 3.19Å; C61-A63 VanDerWaalsContact O-N 3.16Å
62	S	39.5	Very low	52.3	Low	111 Å²	111	107.7 Å²	107.7	78%	0.776	66%	0.656	S	S	*	*			trans	-62.6	115.2	172.5	57.8	0	0	0	0	109.5	A60	A60-S62 PolarHBondContact O-N 2.78Å
63	A	44.5	Very low	54.9	Low	87 Å²	87	102 Å²	102	72%	0.719	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-54.7	140.1	170.7	0	0	0	0	0	110	C61	C61-A63 PolarHBondContact O-N 3.19Å; C61-A63 VanDerWaalsContact O-N 3.16Å
64	P	46.9	Very low	57.6	Low	114 Å²	114	94 Å²	94	74%	0.74	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-60.9	144.1	-176.8	25.1	-34.3	0	0	0	110.9
65	P	56.3	Low	60.2	Low	113 Å²	113	86.6 Å²	86.6	73%	0.734	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-59.6	143.4	-178.9	24.6	-34	0	0	0	111	R67	P65-R67 PolarHBondContact O-N 2.98Å
66	P	62	Low	62.9	Low	118 Å²	118	79.2 Å²	79.2	77%	0.766	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-60.5	130.9	-177.4	24.7	-34	0	0	0	110.7
67	R	72.6	Confident	65.6	Low	200 Å²	200	76 Å²	76	76%	0.755	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-60.4	139.9	-178.2	-64.8	-176.6	-179.3	179.9	0.9	110.6	P65	P65-R67 PolarHBondContact O-N 2.98Å
68	P	75.9	Confident	68.4	Low	57 Å²	57	69.3 Å²	69.3	37%	0.37	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-61.5	141.5	176.6	25.5	-33.7	0	0	0	111	Y70 E142	P68-Y70 HydrophobicContact CB-CE2 4.03Å; P68-Y70 HydrophobicContact CG-CE2 3.82Å; P68-Y70 WeakPolarHBondContact CG-OH 3.46Å; P68-E142 HydrophobicContact CB-CG 4.36Å
69	V	83.8	Confident	70.7	Confident	44 Å²	44	66.5 Å²	66.5	27%	0.267	42%	0.416	S	S	.	.			trans	-107.7	109.6	175.1	-179.7	0	0	0	0	108.5	R117 S118 E142 V143	V69-R117 HydrophobicContact CG1-CB 3.97Å; V69-R117 HydrophobicContact CG1-CG 3.92Å; V69-S118 CarbonylContact C-O 3.53Å; V69-S118 WeakPolarHBondContact CA-O 3.35Å; V69-E142 CarbonylContact O-C 3.49Å; V69-E142 WeakPolarHBondContact O-CA 3.41Å; V69-V143 HydrophobicContact CB-CB 4.26Å; V69-V143 HydrophobicContact CB-CG2 4.2Å; V69-V143 HydrophobicContact CG1-CG2 4.09Å; V69-V143 PolarHBondContact O-N 3.19Å
70	Y	85.8	Confident	73.1	Confident	38 Å²	38	64.8 Å²	64.8	15%	0.149	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	148	175.9	-62.6	-81.1	0	0	0	111.1	P68 R117 S118 L120 S121 Q140 E142	P68-Y70 HydrophobicContact CB-CE2 4.03Å; P68-Y70 HydrophobicContact CG-CE2 3.82Å; P68-Y70 WeakPolarHBondContact CG-OH 3.46Å; Y70-R117 CarbonylContact O-C 3.06Å; Y70-R117 WeakPolarHBondContact O-CA 3.45Å; Y70-S118 PolarHBondContact N-O 2.96Å; Y70-S118 PolarHBondContact O-N 3.13Å; Y70-L120 VanDerWaalsContact CD2-C 3.48Å; Y70-S121 VanDerWaalsContact CD2-N 3.31Å; Y70-Q140 HydrophobicContact CD1-CB 4.37Å; Y70-Q140 HydrophobicContact CD1-CG 4.25Å; Y70-E142 HydrophobicContact CD1-CG 3.65Å; Y70-E142 HydrophobicContact CE1-CG 3.35Å; Y70-E142 WeakPolarHBondContact CE1-OE1 3.42Å; Y70-E142 HydrophobicContact CG-CG 4.48Å; Y70-E142 VanDerWaalsContact CZ-OE1 3.22Å; Y70-E142 PolarHBondContact OH-OE1 3.3Å
71	T	85.3	Confident	75.4	Confident	24 Å²	24	61.1 Å²	61.1	15%	0.147	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	175.5	174.7	72.8	0	0	0	0	111.3	H73 K116 Q140 Q141 V143	T71-H73 PolarHBondContact O-N 3.23Å; T71-H73 PolarHBondContact OG1-N 2.99Å; T71-K116 WeakPolarHBondContact CA-O 3.06Å; T71-Q140 WeakPolarHBondContact O-CG 3.17Å; T71-Q140 PolarHBondContact O-NE2 2.62Å; T71-Q141 PolarHBondContact N-O 3.17Å; T71-Q141 PolarHBondContact OG1-O 3.09Å; T71-Q141 VanDerWaalsContact OG1-O 3.12Å; T71-V143 HydrophobicContact CG2-CG2 3.82Å
72	N	86.4	Confident	77.9	Confident	6 Å²	6	58.3 Å²	58.3	3%	0.032	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	30.8	173.3	61.2	-20.9	0	0	0	113.5	W74 Y110 H111 T114 K116	N72-W74 VanDerWaalsContact O-CZ3 3.3Å; N72-W74 WeakPolarHBondContact O-CZ3 3.36Å; N72-Y110 VanDerWaalsContact ND2-CE2 3.32Å; N72-Y110 WeakPolarHBondContact ND2-CE2 3.46Å; N72-Y110 WeakPolarHBondContact O-CD2 3.36Å; N72-H111 PolarHBondContact O-N 3.5Å; N72-H111 VanDerWaalsContact O-N 3.12Å; N72-T114 HydrophobicContact CB-CG2 4.28Å; N72-T114 WeakPolarHBondContact CB-O 3.4Å; N72-T114 PolarHBondContact ND2-O 3.1Å; N72-K116 WeakPolarHBondContact OD1-CA 3.14Å
73	H	89.7	Confident	80.3	Confident	44 Å²	44	56.7 Å²	56.7	20%	0.204	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	148.5	175.5	-65.8	-101.7	0	0	0	110.4	T71 H108 F109 Y110 Q141	T71-H73 PolarHBondContact O-N 3.23Å; T71-H73 PolarHBondContact OG1-N 2.99Å; H73-H108 AromaticContact CE1-NE2 3.92Å; H73-H108 AromaticContact ND1-CD2 3.95Å; H73-H108 AromaticContact ND1-NE2 3.54Å; H73-F109 CarbonylContact C-O 3.59Å; H73-F109 WeakPolarHBondContact CA-O 3.37Å; H73-Y110 AromaticContact CE1-CD2 3.52Å; H73-Y110 AromaticContact ND1-CD2 3.87Å; H73-Y110 AromaticContact NE2-CD2 3.68Å; H73-Y110 AromaticContact NE2-CE2 3.92Å; H73-Q141 HydrophobicContact CB-CB 4.3Å; H73-Q141 HydrophobicContact CB-CG 4.34Å; H73-Q141 PolarHBondContact O-N 2.84Å
74	W	91.1	Very high	82.5	Confident	5 Å²	5	54.5 Å²	54.5	2%	0.019	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	144.8	177.6	-72.8	-107.8	0	0	0	109.8	N72 V76 Y94 F109 H111 T114 H126 Q139 Q140	N72-W74 VanDerWaalsContact O-CZ3 3.3Å; N72-W74 WeakPolarHBondContact O-CZ3 3.36Å; W74-V76 HydrophobicContact CB-CG2 3.88Å; W74-Y94 AromaticContact CD2-CE1 3.77Å; W74-Y94 HydrophobicContact CD2-CE1 3.77Å; W74-Y94 HydrophobicContact CE3-CD1 4.19Å; W74-Y94 AromaticContact CE3-CE1 3.57Å; W74-Y94 HydrophobicContact CE3-CE1 3.57Å; W74-Y94 HydrophobicContact CG-CE1 4.39Å; W74-Y94 HydrophobicContact CH2-CE1 4.06Å; W74-Y94 HydrophobicContact CZ2-CE1 4.25Å; W74-Y94 HydrophobicContact CZ3-CD1 4.46Å; W74-Y94 AromaticContact CZ3-CE1 3.74Å; W74-Y94 HydrophobicContact CZ3-CE1 3.74Å; W74-F109 HydrophobicContact CB-CB 4.34Å; W74-F109 PolarHBondContact N-O 3.49Å; W74-F109 PolarHBondContact O-N 2.89Å; W74-H111 HydrophobicContact CE3-CB 4.43Å; W74-H111 HydrophobicContact CH2-CB 3.95Å; W74-H111 HydrophobicContact CZ3-CB 3.52Å; W74-T114 HydrophobicContact CH2-CG2 3.9Å; W74-H126 HydrophobicContact CZ2-CB 4.3Å; W74-Q139 WeakPolarHBondContact CA-O 3.3Å; W74-Q140 VanDerWaalsContact CD1-CA 3.5Å; W74-Q140 HydrophobicContact CD2-CG 4.28Å; W74-Q140 HydrophobicContact CG-CB 4.43Å; W74-Q140 HydrophobicContact CZ2-CG 4.08Å
75	A	91.7	Very high	84.6	Confident	9 Å²	9	49 Å²	49	7%	0.074	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	131.6	159.2	0	0	0	0	0	107.2	I100 W137 L138 Q139	A75-I100 HydrophobicContact CB-CD1 3.53Å; A75-W137 HydrophobicContact CB-CH2 4.07Å; A75-W137 HydrophobicContact CB-CZ3 3.64Å; A75-W137 WeakPolarHBondContact O-CZ3 3.23Å; A75-L138 WeakPolarHBondContact O-CA 3.11Å; A75-Q139 PolarHBondContact N-O 3.32Å; A75-Q139 PolarHBondContact O-N 3.04Å
76	V	91.7	Very high	86.2	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	131.6	-171.5	-170.8	0	0	0	0	108.4	W74 V78 Y107 F109 L129 V135 W137 L138	W74-V76 HydrophobicContact CB-CG2 3.88Å; V76-V78 HydrophobicContact CB-CG2 4.46Å; V76-V78 HydrophobicContact CG1-CG2 3.75Å; V76-Y107 PolarHBondContact N-O 3.24Å; V76-Y107 PolarHBondContact O-N 2.93Å; V76-F109 HydrophobicContact CB-CD2 4.3Å; V76-F109 HydrophobicContact CB-CE2 4.41Å; V76-F109 HydrophobicContact CB-CG 4.35Å; V76-F109 HydrophobicContact CG1-CE2 4.28Å; V76-F109 HydrophobicContact CG2-CB 3.96Å; V76-F109 HydrophobicContact CG2-CD1 4.42Å; V76-F109 HydrophobicContact CG2-CD2 3.78Å; V76-F109 HydrophobicContact CG2-CE2 4.34Å; V76-F109 HydrophobicContact CG2-CG 3.8Å; V76-L129 HydrophobicContact CG2-CD2 4.22Å; V76-V135 HydrophobicContact CG1-CB 4.5Å; V76-V135 HydrophobicContact CG1-CG1 3.76Å; V76-V135 HydrophobicContact CG1-CG2 3.98Å; V76-W137 CarbonylContact C-O 3.45Å; V76-W137 WeakPolarHBondContact CA-O 3.37Å; V76-L138 HydrophobicContact CG2-CD1 4.35Å
77	Q	93.9	Very high	87.7	Confident	41 Å²	41	47.3 Å²	47.3	19%	0.192	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	116	171.9	-166	179.6	6.3	0	0	109	D105 Y106 V135 K136 W137	Q77-D105 CarbonylContact C-O 3.37Å; Q77-D105 VanDerWaalsContact CA-O 3.25Å; Q77-D105 WeakPolarHBondContact CA-O 3.39Å; Q77-D105 HydrophobicContact CG-CB 4.47Å; Q77-Y106 HydrophobicContact CB-CD1 3.76Å; Q77-Y106 HydrophobicContact CB-CE1 3.58Å; Q77-Y106 HydrophobicContact CB-CG 4.47Å; Q77-Y106 VanDerWaalsContact CD-OH 3.27Å; Q77-Y106 HydrophobicContact CG-CD1 4Å; Q77-Y106 HydrophobicContact CG-CD2 4.39Å; Q77-Y106 HydrophobicContact CG-CE1 3.74Å; Q77-Y106 HydrophobicContact CG-CE2 4.16Å; Q77-Y106 HydrophobicContact CG-CG 4.31Å; Q77-Y106 PolarHBondContact NE2-OH 3.14Å; Q77-Y106 PolarHBondContact OE1-OH 2.86Å; Q77-V135 CarbonylContact O-C 3.41Å; Q77-V135 VanDerWaalsContact O-CA 3.31Å; Q77-V135 WeakPolarHBondContact O-CA 3.49Å; Q77-K136 PolarHBondContact O-N 2.91Å; Q77-W137 HydrophobicContact CB-CB 3.89Å; Q77-W137 PolarHBondContact N-O 3.31Å
78	V	92.6	Very high	88.6	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	117.2	180	-169.7	0	0	0	0	108	V76 E84 A85 V88 D105 Y107 F109 Q134 V135	V76-V78 HydrophobicContact CB-CG2 4.46Å; V76-V78 HydrophobicContact CG1-CG2 3.75Å; V78-E84 HydrophobicContact CG1-CG 4.33Å; V78-A85 HydrophobicContact CB-CB 4.17Å; V78-A85 HydrophobicContact CG1-CB 4.47Å; V78-A85 HydrophobicContact CG2-CB 4.4Å; V78-V88 HydrophobicContact CG1-CB 4.18Å; V78-V88 HydrophobicContact CG1-CG1 4.46Å; V78-V88 HydrophobicContact CG1-CG2 3.91Å; V78-V88 HydrophobicContact CG2-CG1 4.37Å; V78-D105 PolarHBondContact N-O 3.17Å; V78-D105 VanDerWaalsContact O-CB 3.3Å; V78-D105 WeakPolarHBondContact O-CB 3.45Å; V78-Y107 HydrophobicContact CB-CD2 4.11Å; V78-Y107 HydrophobicContact CB-CE2 4.47Å; V78-Y107 HydrophobicContact CG2-CD2 4.36Å; V78-F109 HydrophobicContact CG2-CZ 3.92Å; V78-Q134 HydrophobicContact CG1-CB 3.78Å; V78-V135 HydrophobicContact CG2-CG2 4.21Å
79	L	88.1	Confident	89.2	Confident	62 Å²	62	35.2 Å²	35.2	33%	0.325	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	146.5	177.9	-56.6	-173.3	0	0	0	111.4	E84 D105 Q134 K136	L79-E84 WeakPolarHBondContact O-CG 3.4Å; L79-D105 WeakPolarHBondContact CA-OD2 3.34Å; L79-D105 HydrophobicContact CD2-CB 4.14Å; L79-D105 VanDerWaalsContact CD2-OD2 3.3Å; L79-D105 WeakPolarHBondContact CD2-OD2 3.13Å; L79-Q134 PolarHBondContact N-O 3.03Å; L79-K136 HydrophobicContact CD1-CD 4.27Å; L79-K136 HydrophobicContact CD1-CG 3.93Å; L79-K136 HydrophobicContact CD2-CG 4.21Å; L79-K136 HydrophobicContact CG-CD 4.48Å; L79-K136 HydrophobicContact CG-CG 3.76Å
80	G	84.5	Confident	89.4	Confident	61 Å²	61	36.7 Å²	36.7	63%	0.629	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	104.2	12.8	176.3	0	0	0	0	0	114.5	D105	G80-D105 PolarHBondContact N-OD1 2.92Å
81	G	87.3	Confident	89.4	Confident	15 Å²	15	38.1 Å²	38.1	16%	0.155	25%	0.246	C	C	.	.			trans	75.4	-174.3	173.7	0	0	0	0	0	115.6	A83 E84 A85 D105 Y107	G81-A83 PolarHBondContact O-N 2.94Å; G81-E84 PolarHBondContact O-N 2.99Å; G81-A85 PolarHBondContact O-N 3.23Å; G81-A85 VanDerWaalsContact O-N 3.15Å; G81-D105 PolarHBondContact N-OD1 2.89Å; G81-Y107 VanDerWaalsContact C-OH 3.28Å; G81-Y107 WeakPolarHBondContact CA-OH 3.47Å
82	P	86.4	Confident	89.5	Confident	75 Å²	75	39.7 Å²	39.7	49%	0.487	25%	0.252	S	S	.	.	H	α-helix	trans	-61	-36.9	-164.7	-26.9	35.3	0	0	0	115.1	E84 A85 D86 Y107	P82-E84 PolarHBondContact O-N 2.97Å; P82-A85 WeakPolarHBondContact O-CB 3.49Å; P82-A85 PolarHBondContact O-N 3.06Å; P82-D86 PolarHBondContact O-N 3.21Å; P82-Y107 HydrophobicContact CB-CE1 4.27Å; P82-Y107 WeakPolarHBondContact CD-OH 3.5Å; P82-Y107 HydrophobicContact CG-CE1 4.17Å
83	A	89.3	Confident	89.4	Confident	77 Å²	77	41.6 Å²	41.6	64%	0.636	27%	0.272	S	S	*	.	H	α-helix	trans	-67.3	-35.2	-178.7	0	0	0	0	0	112.8	G81 R87	G81-A83 PolarHBondContact O-N 2.94Å; A83-R87 PolarHBondContact O-N 2.84Å
84	E	92	Very high	89.4	Confident	41 Å²	41	40.1 Å²	40.1	19%	0.192	27%	0.265	C	S	.	.	H	α-helix	trans	-75.8	-33.7	175.1	-172.6	66.8	169.8	0	0	110.8	V78 L79 G81 P82 R87 V88 Q134	V78-E84 HydrophobicContact CG1-CG 4.33Å; L79-E84 WeakPolarHBondContact O-CG 3.4Å; G81-E84 PolarHBondContact O-N 2.99Å; P82-E84 PolarHBondContact O-N 2.97Å; E84-R87 VanDerWaalsContact CD-NE 3.26Å; E84-R87 PolarHBondContact O-N 2.94Å; E84-R87 IonicContact OE1-CZ 3.37Å; E84-R87 IonicContact OE1-NE 3.19Å; E84-R87 PolarHBondContact OE1-NE 3.39Å; E84-R87 IonicContact OE1-NH2 2.72Å; E84-R87 PolarHBondContact OE1-NH2 2.85Å; E84-R87 WeakPolarHBondContact OE2-CD 3.41Å; E84-R87 IonicContact OE2-CZ 3.67Å; E84-R87 IonicContact OE2-NE 2.75Å; E84-R87 PolarHBondContact OE2-NE 2.83Å; E84-R87 IonicContact OE2-NH2 3.75Å; E84-V88 WeakPolarHBondContact O-CB 3.44Å; E84-V88 VanDerWaalsContact O-CG2 3.26Å; E84-V88 WeakPolarHBondContact O-CG2 3.43Å; E84-V88 PolarHBondContact O-N 3.49Å; E84-Q134 HydrophobicContact CG-CG 4.05Å; E84-Q134 VanDerWaalsContact OE1-CG 3.29Å; E84-Q134 WeakPolarHBondContact OE1-CG 3.42Å; E84-Q134 PolarHBondContact OE1-NE2 3.23Å
85	A	90.6	Very high	89.1	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-62.5	-40.1	170.1	0	0	0	0	0	112.8	V78 G81 P82 V88 A89 Y107 F109	V78-A85 HydrophobicContact CB-CB 4.17Å; V78-A85 HydrophobicContact CG1-CB 4.47Å; V78-A85 HydrophobicContact CG2-CB 4.4Å; G81-A85 PolarHBondContact O-N 3.23Å; G81-A85 VanDerWaalsContact O-N 3.15Å; P82-A85 WeakPolarHBondContact O-CB 3.49Å; P82-A85 PolarHBondContact O-N 3.06Å; A85-V88 PolarHBondContact O-N 2.94Å; A85-A89 VanDerWaalsContact O-CB 3.28Å; A85-A89 WeakPolarHBondContact O-CB 3.31Å; A85-A89 PolarHBondContact O-N 3.43Å; A85-Y107 HydrophobicContact CB-CD1 3.87Å; A85-Y107 HydrophobicContact CB-CD2 3.28Å; A85-Y107 HydrophobicContact CB-CE1 4.15Å; A85-Y107 HydrophobicContact CB-CE2 3.55Å; A85-Y107 HydrophobicContact CB-CG 3.47Å; A85-Y107 VanDerWaalsContact CB-CG 3.47Å; A85-F109 HydrophobicContact CB-CE1 4.35Å; A85-F109 VanDerWaalsContact O-CZ 3.26Å; A85-F109 WeakPolarHBondContact O-CZ 3.49Å
86	D	89.9	Confident	89.1	Confident	84 Å²	84	45.3 Å²	45.3	45%	0.449	29%	0.291	S	S	.	.	H	α-helix	trans	-64.3	-44.1	173.3	-70.3	-24.2	0	0	0	111.6	P82 V88 A89 A90 N96	P82-D86 PolarHBondContact O-N 3.21Å; D86-V88 PolarHBondContact O-N 2.04Å; D86-A89 PolarHBondContact O-N 2.93Å; D86-A90 WeakPolarHBondContact O-CB 3.04Å; D86-A90 PolarHBondContact O-N 3.23Å; D86-N96 VanDerWaalsContact OD1-CB 3.24Å; D86-N96 WeakPolarHBondContact OD1-CB 3.5Å; D86-N96 PolarHBondContact OD1-ND2 2.93Å
87	R	93.7	Very high	88.6	Confident	111 Å²	111	49.1 Å²	49.1	42%	0.419	31%	0.311	S	S	.	.	H	α-helix	trans	-59	-47.5	175.6	-168.6	-163.9	63.9	66.2	-0.6	111.6	A83 E84 A91	A83-R87 PolarHBondContact O-N 2.84Å; E84-R87 VanDerWaalsContact CD-NE 3.26Å; E84-R87 PolarHBondContact O-N 2.94Å; E84-R87 IonicContact OE1-CZ 3.37Å; E84-R87 IonicContact OE1-NE 3.19Å; E84-R87 PolarHBondContact OE1-NE 3.39Å; E84-R87 IonicContact OE1-NH2 2.72Å; E84-R87 PolarHBondContact OE1-NH2 2.85Å; E84-R87 WeakPolarHBondContact OE2-CD 3.41Å; E84-R87 IonicContact OE2-CZ 3.67Å; E84-R87 IonicContact OE2-NE 2.75Å; E84-R87 PolarHBondContact OE2-NE 2.83Å; E84-R87 IonicContact OE2-NH2 3.75Å; R87-A91 VanDerWaalsContact O-CB 3.26Å; R87-A91 WeakPolarHBondContact O-CB 3.46Å; R87-A91 PolarHBondContact O-N 3.18Å
88	V	90.9	Very high	87.9	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-68.6	-40.4	-180	170.6	0	0	0	0	111.1	V78 E84 A85 D86 H92 F109 L129 Q134 V135	V78-V88 HydrophobicContact CG1-CB 4.18Å; V78-V88 HydrophobicContact CG1-CG1 4.46Å; V78-V88 HydrophobicContact CG1-CG2 3.91Å; V78-V88 HydrophobicContact CG2-CG1 4.37Å; E84-V88 WeakPolarHBondContact O-CB 3.44Å; E84-V88 VanDerWaalsContact O-CG2 3.26Å; E84-V88 WeakPolarHBondContact O-CG2 3.43Å; E84-V88 PolarHBondContact O-N 3.49Å; A85-V88 PolarHBondContact O-N 2.94Å; D86-V88 PolarHBondContact O-N 2.04Å; V88-H92 PolarHBondContact O-CD2 3.19Å; V88-H92 VanDerWaalsContact O-CD2 3.27Å; V88-H92 PolarHBondContact O-N 2.86Å; V88-F109 HydrophobicContact CG1-CE2 4.2Å; V88-F109 HydrophobicContact CG1-CZ 4.44Å; V88-L129 HydrophobicContact CG1-CD1 3.58Å; V88-Q134 HydrophobicContact CG2-CB 4.21Å; V88-Q134 HydrophobicContact CG2-CG 4.39Å; V88-V135 HydrophobicContact CG1-CG2 3.68Å
89	A	88.6	Confident	87.8	Confident	2 Å²	2	52.3 Å²	52.3	2%	0.017	33%	0.334	C	S	.	.	H	α-helix	trans	-58.3	-54.2	174.3	0	0	0	0	0	110.9	A85 D86 A91 H92 G93 Y94 N96 F109	A85-A89 VanDerWaalsContact O-CB 3.28Å; A85-A89 WeakPolarHBondContact O-CB 3.31Å; A85-A89 PolarHBondContact O-N 3.43Å; D86-A89 PolarHBondContact O-N 2.93Å; A89-A91 PolarHBondContact O-N 2.96Å; A89-H92 PolarHBondContact O-N 2.75Å; A89-G93 PolarHBondContact O-N 3.46Å; A89-G93 VanDerWaalsContact O-N 3.15Å; A89-Y94 CarbonylContact C-O 3.19Å; A89-Y94 WeakPolarHBondContact O-CA 3.33Å; A89-Y94 PolarHBondContact O-N 3.5Å; A89-Y94 VanDerWaalsContact O-O 3.09Å; A89-N96 HydrophobicContact CB-CB 3.89Å; A89-F109 HydrophobicContact CB-CD1 4.31Å; A89-F109 HydrophobicContact CB-CD2 4.1Å; A89-F109 HydrophobicContact CB-CE1 3.94Å; A89-F109 HydrophobicContact CB-CE2 3.72Å; A89-F109 HydrophobicContact CB-CG 4.41Å; A89-F109 HydrophobicContact CB-CZ 3.64Å
90	A	86.9	Confident	87.5	Confident	75 Å²	75	52.1 Å²	52.1	62%	0.62	33%	0.332	S	S	*	.	H	α-helix	trans	-60.9	-43.5	-178.3	0	0	0	0	0	112.6	D86 H92 G93	D86-A90 WeakPolarHBondContact O-CB 3.04Å; D86-A90 PolarHBondContact O-N 3.23Å; A90-H92 VanDerWaalsContact C-N 3.26Å; A90-H92 PolarHBondContact O-N 3.45Å; A90-G93 PolarHBondContact O-N 3.45Å
91	A	87.3	Confident	87.3	Confident	69 Å²	69	52.2 Å²	52.2	57%	0.57	33%	0.333	S	S	*	.	H	α-helix	trans	-60.4	-32.1	-179.8	0	0	0	0	0	113.5	R87 A89	R87-A91 VanDerWaalsContact O-CB 3.26Å; R87-A91 WeakPolarHBondContact O-CB 3.46Å; R87-A91 PolarHBondContact O-N 3.18Å; A89-A91 PolarHBondContact O-N 2.96Å
92	H	86.7	Confident	86.8	Confident	57 Å²	57	58.4 Å²	58.4	26%	0.264	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	9.5	179.8	-65.1	-87.7	0	0	0	113.6	V88 A89 A90 Y94 L129 D132	V88-H92 PolarHBondContact O-CD2 3.19Å; V88-H92 VanDerWaalsContact O-CD2 3.27Å; V88-H92 PolarHBondContact O-N 2.86Å; A89-H92 PolarHBondContact O-N 2.75Å; A90-H92 VanDerWaalsContact C-N 3.26Å; A90-H92 PolarHBondContact O-N 3.45Å; H92-Y94 HydrophobicContact CB-CD2 3.87Å; H92-Y94 HydrophobicContact CB-CE2 4.12Å; H92-Y94 VanDerWaalsContact O-CD2 3.23Å; H92-Y94 WeakPolarHBondContact O-CD2 3.49Å; H92-Y94 WeakPolarHBondContact O-CE2 3.26Å; H92-L129 HydrophobicContact CB-CB 4.2Å; H92-L129 HydrophobicContact CB-CD1 4.03Å; H92-D132 IonicContact CD2-OD2 3.68Å; H92-D132 IonicContact CE1-OD2 3.97Å; H92-D132 IonicContact NE2-OD2 2.89Å; H92-D132 PolarHBondContact NE2-OD2 2.6Å
93	G	85	Confident	86.6	Confident	45 Å²	45	58.7 Å²	58.7	46%	0.464	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	14.6	176.2	0	0	0	0	0	115.8	A89 A90 H111	A89-G93 PolarHBondContact O-N 3.46Å; A89-G93 VanDerWaalsContact O-N 3.15Å; A90-G93 PolarHBondContact O-N 3.45Å; G93-H111 PolarHBondContact O-CD2 2.62Å; G93-H111 PolarHBondContact O-NE2 2.94Å
94	Y	88.8	Confident	86.4	Confident	13 Å²	13	62.8 Å²	62.8	5%	0.051	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-94.2	155.5	176.1	-67.3	-101.8	0	0	0	111.3	W74 A89 H92 F109 Y110 H111 H126 L129	W74-Y94 AromaticContact CD2-CE1 3.77Å; W74-Y94 HydrophobicContact CD2-CE1 3.77Å; W74-Y94 HydrophobicContact CE3-CD1 4.19Å; W74-Y94 AromaticContact CE3-CE1 3.57Å; W74-Y94 HydrophobicContact CE3-CE1 3.57Å; W74-Y94 HydrophobicContact CG-CE1 4.39Å; W74-Y94 HydrophobicContact CH2-CE1 4.06Å; W74-Y94 HydrophobicContact CZ2-CE1 4.25Å; W74-Y94 HydrophobicContact CZ3-CD1 4.46Å; W74-Y94 AromaticContact CZ3-CE1 3.74Å; W74-Y94 HydrophobicContact CZ3-CE1 3.74Å; A89-Y94 CarbonylContact C-O 3.19Å; A89-Y94 WeakPolarHBondContact O-CA 3.33Å; A89-Y94 PolarHBondContact O-N 3.5Å; A89-Y94 VanDerWaalsContact O-O 3.09Å; H92-Y94 HydrophobicContact CB-CD2 3.87Å; H92-Y94 HydrophobicContact CB-CE2 4.12Å; H92-Y94 VanDerWaalsContact O-CD2 3.23Å; H92-Y94 WeakPolarHBondContact O-CD2 3.49Å; H92-Y94 WeakPolarHBondContact O-CE2 3.26Å; Y94-F109 HydrophobicContact CD1-CB 3.93Å; Y94-F109 HydrophobicContact CD1-CD2 4.39Å; Y94-F109 HydrophobicContact CG-CB 4.35Å; Y94-F109 HydrophobicContact CG-CD2 4.1Å; Y94-Y110 CarbonylContact C-O 3.59Å; Y94-Y110 WeakPolarHBondContact CA-O 3.22Å; Y94-H111 HydrophobicContact CD1-CB 3.82Å; Y94-H111 HydrophobicContact CE1-CB 3.76Å; Y94-H126 AromaticContact CZ-ND1 3.89Å; Y94-H126 WeakPolarHBondContact OH-CA 3.44Å; Y94-H126 WeakPolarHBondContact OH-CB 3.49Å; Y94-H126 PolarHBondContact OH-ND1 2.86Å; Y94-H126 VanDerWaalsContact OH-ND1 3.09Å; Y94-L129 HydrophobicContact CD1-CD2 4.42Å; Y94-L129 HydrophobicContact CD2-CD2 3.89Å; Y94-L129 HydrophobicContact CE1-CD2 4.21Å; Y94-L129 HydrophobicContact CE2-CB 4.18Å; Y94-L129 HydrophobicContact CE2-CD2 3.7Å; Y94-L129 HydrophobicContact CG-CD2 4.28Å
95	L	86.3	Confident	86.4	Confident	101 Å²	101	63 Å²	63	53%	0.529	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	124.8	164.7	176.9	63.2	0	0	0	108.6	L97 F109 Y110	L95-L97 HydrophobicContact CD2-CD2 3.79Å; L95-L97 HydrophobicContact CG-CD2 3.99Å; L95-F109 CarbonylContact O-C 3.6Å; L95-F109 WeakPolarHBondContact O-CA 3.31Å; L95-Y110 HydrophobicContact CB-CD1 4.34Å; L95-Y110 HydrophobicContact CD2-CD1 4.4Å; L95-Y110 PolarHBondContact N-O 2.87Å; L95-Y110 PolarHBondContact O-N 3.29Å
96	N	90.3	Very high	86.5	Confident	22 Å²	22	66.2 Å²	66.2	12%	0.118	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	131.2	167.1	-169.7	10.6	0	0	0	109.3	D86 A89 G98 F109	D86-N96 VanDerWaalsContact OD1-CB 3.24Å; D86-N96 WeakPolarHBondContact OD1-CB 3.5Å; D86-N96 PolarHBondContact OD1-ND2 2.93Å; A89-N96 HydrophobicContact CB-CB 3.89Å; N96-G98 PolarHBondContact OD1-N 2.96Å; N96-F109 HydrophobicContact CB-CD1 4.27Å; N96-F109 HydrophobicContact CB-CE1 4.12Å
97	L	81.1	Confident	86.6	Confident	80 Å²	80	62.4 Å²	62.4	42%	0.419	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	9.6	175	-57.2	179.2	0	0	0	112.1	L95 H108	L95-L97 HydrophobicContact CD2-CD2 3.79Å; L95-L97 HydrophobicContact CG-CD2 3.99Å; L97-H108 HydrophobicContact CB-CB 4.18Å; L97-H108 VanDerWaalsContact CB-O 3.31Å; L97-H108 WeakPolarHBondContact CB-O 3.36Å; L97-H108 PolarHBondContact N-O 2.85Å
98	G	80.4	Confident	86.5	Confident	28 Å²	28	61.1 Å²	61.1	29%	0.289	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	98.2	-178.3	178.4	0	0	0	0	0	114.1	N96 H108	N96-G98 PolarHBondContact OD1-N 2.96Å; G98-H108 PolarHBondContact O-N 2.97Å
99	Q	89.9	Confident	86.5	Confident	81 Å²	81	61.1 Å²	61.1	38%	0.379	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	143.2	-176.9	-164.4	169.8	-51	0	0	111.7	G101 L103 Y106 Y107	Q99-G101 VanDerWaalsContact C-N 3.3Å; Q99-G101 PolarHBondContact O-N 2.83Å; Q99-L103 WeakPolarHBondContact CG-O 3.23Å; Q99-L103 PolarHBondContact NE2-O 2.88Å; Q99-L103 VanDerWaalsContact NE2-O 3.17Å; Q99-Y106 CarbonylContact C-O 3.59Å; Q99-Y106 WeakPolarHBondContact CA-O 3.12Å; Q99-Y106 WeakPolarHBondContact CG-O 3.42Å; Q99-Y107 HydrophobicContact CB-CD1 4.12Å; Q99-Y107 HydrophobicContact CB-CE1 3.79Å; Q99-Y107 HydrophobicContact CG-CE1 4.05Å
100	I	81.1	Confident	86.5	Confident	57 Å²	57	64.4 Å²	64.4	29%	0.292	37%	0.371	S	S	.	.			trans	-80.5	80.1	-178.5	-62	166.2	0	0	0	109.1	A75 N102 L103 Y106 Y107 H108	A75-I100 HydrophobicContact CB-CD1 3.53Å; I100-N102 PolarHBondContact O-N 2.69Å; I100-L103 HydrophobicContact CG2-CD1 4.15Å; I100-L103 WeakPolarHBondContact O-CB 3.47Å; I100-L103 WeakPolarHBondContact O-CG 3.5Å; I100-L103 PolarHBondContact O-N 3.43Å; I100-Y106 PolarHBondContact N-O 2.89Å; I100-Y107 WeakPolarHBondContact CD1-O 3.48Å; I100-H108 HydrophobicContact CD1-CB 4.34Å; I100-H108 HydrophobicContact CG1-CB 3.88Å
101	G	80.4	Confident	86.4	Confident	63 Å²	63	62 Å²	62	65%	0.649	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.2	-129.8	-178.1	0	0	0	0	0	111.6	Q99 L103	Q99-G101 VanDerWaalsContact C-N 3.3Å; Q99-G101 PolarHBondContact O-N 2.83Å; G101-L103 VanDerWaalsContact C-N 3.31Å; G101-L103 PolarHBondContact O-N 2.8Å
102	N	77.1	Confident	85.9	Confident	145 Å²	145	62.6 Å²	62.6	78%	0.775	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	15.9	-179.6	71.5	-57.8	0	0	0	114.1	I100 E104	I100-N102 PolarHBondContact O-N 2.69Å; N102-E104 PolarHBondContact O-N 3.46Å
103	L	81.5	Confident	85.3	Confident	82 Å²	82	68.7 Å²	68.7	43%	0.429	37%	0.373	S	S	.	.			trans	-87	104.6	178.7	-60.6	179	0	0	0	110.2	Q99 I100 G101 Y106	Q99-L103 WeakPolarHBondContact CG-O 3.23Å; Q99-L103 PolarHBondContact NE2-O 2.88Å; Q99-L103 VanDerWaalsContact NE2-O 3.17Å; I100-L103 HydrophobicContact CG2-CD1 4.15Å; I100-L103 WeakPolarHBondContact O-CB 3.47Å; I100-L103 WeakPolarHBondContact O-CG 3.5Å; I100-L103 PolarHBondContact O-N 3.43Å; G101-L103 VanDerWaalsContact C-N 3.31Å; G101-L103 PolarHBondContact O-N 2.8Å; L103-Y106 HydrophobicContact CB-CD2 3.79Å; L103-Y106 HydrophobicContact CB-CG 4.12Å; L103-Y106 PolarHBondContact O-N 3.44Å
104	E	86.8	Confident	85	Confident	163 Å²	163	67.3 Å²	67.3	76%	0.762	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	140.5	177.7	-64.5	-180	166.9	0	0	111.8	N102 Y106	N102-E104 PolarHBondContact O-N 3.46Å; E104-Y106 WeakPolarHBondContact O-CD2 3.18Å; E104-Y106 PolarHBondContact O-N 2.78Å
105	D	90.8	Very high	84.4	Confident	44 Å²	44	74.4 Å²	74.4	24%	0.235	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.5	8.7	-174.2	-75.7	-20.3	0	0	0	116.3	Q77 V78 L79 G80 G81 Y107	Q77-D105 CarbonylContact C-O 3.37Å; Q77-D105 VanDerWaalsContact CA-O 3.25Å; Q77-D105 WeakPolarHBondContact CA-O 3.39Å; Q77-D105 HydrophobicContact CG-CB 4.47Å; V78-D105 PolarHBondContact N-O 3.17Å; V78-D105 VanDerWaalsContact O-CB 3.3Å; V78-D105 WeakPolarHBondContact O-CB 3.45Å; L79-D105 WeakPolarHBondContact CA-OD2 3.34Å; L79-D105 HydrophobicContact CD2-CB 4.14Å; L79-D105 VanDerWaalsContact CD2-OD2 3.3Å; L79-D105 WeakPolarHBondContact CD2-OD2 3.13Å; G80-D105 PolarHBondContact N-OD1 2.92Å; G81-D105 PolarHBondContact N-OD1 2.89Å; D105-Y107 VanDerWaalsContact C-CE2 3.45Å; D105-Y107 WeakPolarHBondContact O-CD2 3.22Å; D105-Y107 WeakPolarHBondContact O-CE2 3.43Å
106	Y	94.1	Very high	83.7	Confident	69 Å²	69	77.2 Å²	77.2	27%	0.271	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	120.7	174.3	-71.6	-86.5	0	0	0	112.7	Q77 Q99 I100 L103 E104 W137	Q77-Y106 HydrophobicContact CB-CD1 3.76Å; Q77-Y106 HydrophobicContact CB-CE1 3.58Å; Q77-Y106 HydrophobicContact CB-CG 4.47Å; Q77-Y106 VanDerWaalsContact CD-OH 3.27Å; Q77-Y106 HydrophobicContact CG-CD1 4Å; Q77-Y106 HydrophobicContact CG-CD2 4.39Å; Q77-Y106 HydrophobicContact CG-CE1 3.74Å; Q77-Y106 HydrophobicContact CG-CE2 4.16Å; Q77-Y106 HydrophobicContact CG-CG 4.31Å; Q77-Y106 PolarHBondContact NE2-OH 3.14Å; Q77-Y106 PolarHBondContact OE1-OH 2.86Å; Q99-Y106 CarbonylContact C-O 3.59Å; Q99-Y106 WeakPolarHBondContact CA-O 3.12Å; Q99-Y106 WeakPolarHBondContact CG-O 3.42Å; I100-Y106 PolarHBondContact N-O 2.89Å; L103-Y106 HydrophobicContact CB-CD2 3.79Å; L103-Y106 HydrophobicContact CB-CG 4.12Å; L103-Y106 PolarHBondContact O-N 3.44Å; E104-Y106 WeakPolarHBondContact O-CD2 3.18Å; E104-Y106 PolarHBondContact O-N 2.78Å; Y106-W137 HydrophobicContact CD1-CE3 4.22Å; Y106-W137 HydrophobicContact CD1-CZ3 4.38Å; Y106-W137 AromaticContact CE1-CE3 3.95Å; Y106-W137 HydrophobicContact CE1-CE3 3.95Å; Y106-W137 HydrophobicContact CE1-CZ3 4.36Å
107	Y	91.3	Very high	83.2	Confident	3 Å²	3	85.5 Å²	85.5	1%	0.012	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	149	-171.9	-61.6	-75.7	0	0	0	113.4	V76 V78 G81 P82 A85 Q99 I100 D105	V76-Y107 PolarHBondContact N-O 3.24Å; V76-Y107 PolarHBondContact O-N 2.93Å; V78-Y107 HydrophobicContact CB-CD2 4.11Å; V78-Y107 HydrophobicContact CB-CE2 4.47Å; V78-Y107 HydrophobicContact CG2-CD2 4.36Å; G81-Y107 VanDerWaalsContact C-OH 3.28Å; G81-Y107 WeakPolarHBondContact CA-OH 3.47Å; P82-Y107 HydrophobicContact CB-CE1 4.27Å; P82-Y107 WeakPolarHBondContact CD-OH 3.5Å; P82-Y107 HydrophobicContact CG-CE1 4.17Å; A85-Y107 HydrophobicContact CB-CD1 3.87Å; A85-Y107 HydrophobicContact CB-CD2 3.28Å; A85-Y107 HydrophobicContact CB-CE1 4.15Å; A85-Y107 HydrophobicContact CB-CE2 3.55Å; A85-Y107 HydrophobicContact CB-CG 3.47Å; A85-Y107 VanDerWaalsContact CB-CG 3.47Å; Q99-Y107 HydrophobicContact CB-CD1 4.12Å; Q99-Y107 HydrophobicContact CB-CE1 3.79Å; Q99-Y107 HydrophobicContact CG-CE1 4.05Å; I100-Y107 WeakPolarHBondContact CD1-O 3.48Å; D105-Y107 VanDerWaalsContact C-CE2 3.45Å; D105-Y107 WeakPolarHBondContact O-CD2 3.22Å; D105-Y107 WeakPolarHBondContact O-CE2 3.43Å
108	H	91.1	Very high	83	Confident	85 Å²	85	83.2 Å²	83.2	39%	0.394	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	101.5	-178	-176.7	-168.6	0	0	0	110.1	H73 L97 G98 I100	H73-H108 AromaticContact CE1-NE2 3.92Å; H73-H108 AromaticContact ND1-CD2 3.95Å; H73-H108 AromaticContact ND1-NE2 3.54Å; L97-H108 HydrophobicContact CB-CB 4.18Å; L97-H108 VanDerWaalsContact CB-O 3.31Å; L97-H108 WeakPolarHBondContact CB-O 3.36Å; L97-H108 PolarHBondContact N-O 2.85Å; G98-H108 PolarHBondContact O-N 2.97Å; I100-H108 HydrophobicContact CD1-CB 4.34Å; I100-H108 HydrophobicContact CG1-CB 3.88Å
109	F	92	Very high	82.8	Confident	0 Å²	0	85.9 Å²	85.9	0%	0	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	142	-179.1	-75.8	18.1	0	0	0	111.4	H73 W74 V76 V78 A85 V88 A89 Y94 L95 N96 L129	H73-F109 CarbonylContact C-O 3.59Å; H73-F109 WeakPolarHBondContact CA-O 3.37Å; W74-F109 HydrophobicContact CB-CB 4.34Å; W74-F109 PolarHBondContact N-O 3.49Å; W74-F109 PolarHBondContact O-N 2.89Å; V76-F109 HydrophobicContact CB-CD2 4.3Å; V76-F109 HydrophobicContact CB-CE2 4.41Å; V76-F109 HydrophobicContact CB-CG 4.35Å; V76-F109 HydrophobicContact CG1-CE2 4.28Å; V76-F109 HydrophobicContact CG2-CB 3.96Å; V76-F109 HydrophobicContact CG2-CD1 4.42Å; V76-F109 HydrophobicContact CG2-CD2 3.78Å; V76-F109 HydrophobicContact CG2-CE2 4.34Å; V76-F109 HydrophobicContact CG2-CG 3.8Å; V78-F109 HydrophobicContact CG2-CZ 3.92Å; A85-F109 HydrophobicContact CB-CE1 4.35Å; A85-F109 VanDerWaalsContact O-CZ 3.26Å; A85-F109 WeakPolarHBondContact O-CZ 3.49Å; V88-F109 HydrophobicContact CG1-CE2 4.2Å; V88-F109 HydrophobicContact CG1-CZ 4.44Å; A89-F109 HydrophobicContact CB-CD1 4.31Å; A89-F109 HydrophobicContact CB-CD2 4.1Å; A89-F109 HydrophobicContact CB-CE1 3.94Å; A89-F109 HydrophobicContact CB-CE2 3.72Å; A89-F109 HydrophobicContact CB-CG 4.41Å; A89-F109 HydrophobicContact CB-CZ 3.64Å; Y94-F109 HydrophobicContact CD1-CB 3.93Å; Y94-F109 HydrophobicContact CD1-CD2 4.39Å; Y94-F109 HydrophobicContact CG-CB 4.35Å; Y94-F109 HydrophobicContact CG-CD2 4.1Å; L95-F109 CarbonylContact O-C 3.6Å; L95-F109 WeakPolarHBondContact O-CA 3.31Å; N96-F109 HydrophobicContact CB-CD1 4.27Å; N96-F109 HydrophobicContact CB-CE1 4.12Å; F109-L129 HydrophobicContact CD2-CD1 4.47Å; F109-L129 HydrophobicContact CD2-CD2 3.76Å; F109-L129 HydrophobicContact CE2-CD1 4.05Å; F109-L129 HydrophobicContact CE2-CD2 4.15Å
110	Y	87.3	Confident	82.1	Confident	71 Å²	71	88.3 Å²	88.3	28%	0.278	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	142.4	178.6	170.6	-103.9	0	0	0	110.9	N72 H73 Y94 L95	N72-Y110 VanDerWaalsContact ND2-CE2 3.32Å; N72-Y110 WeakPolarHBondContact ND2-CE2 3.46Å; N72-Y110 WeakPolarHBondContact O-CD2 3.36Å; H73-Y110 AromaticContact CE1-CD2 3.52Å; H73-Y110 AromaticContact ND1-CD2 3.87Å; H73-Y110 AromaticContact NE2-CD2 3.68Å; H73-Y110 AromaticContact NE2-CE2 3.92Å; Y94-Y110 CarbonylContact C-O 3.59Å; Y94-Y110 WeakPolarHBondContact CA-O 3.22Å; L95-Y110 HydrophobicContact CB-CD1 4.34Å; L95-Y110 HydrophobicContact CD2-CD1 4.4Å; L95-Y110 PolarHBondContact N-O 2.87Å; L95-Y110 PolarHBondContact O-N 3.29Å
111	H	85.1	Confident	82	Confident	23 Å²	23	88.1 Å²	88.1	11%	0.106	45%	0.445	C	S	.	.			trans	-126.9	111.1	175.8	-164.2	-82.7	0	0	0	112.1	N72 W74 G93 Y94 K113 T114 H126	N72-H111 PolarHBondContact O-N 3.5Å; N72-H111 VanDerWaalsContact O-N 3.12Å; W74-H111 HydrophobicContact CE3-CB 4.43Å; W74-H111 HydrophobicContact CH2-CB 3.95Å; W74-H111 HydrophobicContact CZ3-CB 3.52Å; G93-H111 PolarHBondContact O-CD2 2.62Å; G93-H111 PolarHBondContact O-NE2 2.94Å; Y94-H111 HydrophobicContact CD1-CB 3.82Å; Y94-H111 HydrophobicContact CE1-CB 3.76Å; H111-K113 VanDerWaalsContact C-N 3.29Å; H111-K113 PolarHBondContact ND1-N 2.82Å; H111-K113 PolarHBondContact O-N 2.7Å; H111-T114 PolarHBondContact ND1-OG1 3.01Å; H111-T114 PolarHBondContact O-N 2.75Å; H111-H126 AromaticContact CD2-CE1 3.94Å; H111-H126 AromaticContact CE1-CE1 3.47Å; H111-H126 PolarHBondContact CE1-CE1 2.99Å; H111-H126 VanDerWaalsContact CE1-CE1 3.47Å; H111-H126 AromaticContact CG-CE1 3.75Å; H111-H126 AromaticContact ND1-CE1 3.45Å; H111-H126 PolarHBondContact ND1-CE1 3.08Å; H111-H126 AromaticContact NE2-CE1 3.75Å
112	S	76.5	Confident	81.7	Confident	82 Å²	82	86.7 Å²	86.7	57%	0.573	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-29.7	-172.2	57.2	0	0	0	0	114.6
113	K	74.6	Confident	81.1	Confident	186 Å²	186	90.3 Å²	90.3	81%	0.809	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	10.3	-178.4	-46.5	179.9	-179.3	174.8	0	114.5	H111	H111-K113 VanDerWaalsContact C-N 3.29Å; H111-K113 PolarHBondContact ND1-N 2.82Å; H111-K113 PolarHBondContact O-N 2.7Å
114	T	79.2	Confident	80.3	Confident	16 Å²	16	88.3 Å²	88.3	10%	0.098	43%	0.426	C	S	.	.	S	Bend	trans	-106	146.3	176.7	-50.3	0	0	0	0	110.4	N72 W74 H111 K116 H126	N72-T114 HydrophobicContact CB-CG2 4.28Å; N72-T114 WeakPolarHBondContact CB-O 3.4Å; N72-T114 PolarHBondContact ND2-O 3.1Å; W74-T114 HydrophobicContact CH2-CG2 3.9Å; H111-T114 PolarHBondContact ND1-OG1 3.01Å; H111-T114 PolarHBondContact O-N 2.75Å; T114-K116 PolarHBondContact O-N 2.82Å; T114-H126 PolarHBondContact OG1-CE1 3.07Å; T114-H126 PolarHBondContact OG1-NE2 3.18Å
115	F	75.5	Confident	78.7	Confident	161 Å²	161	85.1 Å²	85.1	71%	0.706	42%	0.42	S	S	*	.			trans	-63.4	130.1	-178.1	-64.2	-74	0	0	0	112.7	R117	F115-R117 PolarHBondContact O-N 3.3Å
116	K	72.2	Confident	77.2	Confident	161 Å²	161	84.5 Å²	84.5	70%	0.7	42%	0.416	S	S	*	.	S	Bend	trans	-62.9	-24	-179.6	-169.6	175.8	-174.9	177.9	0	114	T71 N72 T114	T71-K116 WeakPolarHBondContact CA-O 3.06Å; N72-K116 WeakPolarHBondContact OD1-CA 3.14Å; T114-K116 PolarHBondContact O-N 2.82Å
117	R	78.4	Confident	75.5	Confident	195 Å²	195	83.4 Å²	83.4	74%	0.736	42%	0.416	S	S	*	.	S	Bend	trans	-140.3	130.9	168.2	-77	-174.9	168.4	-177.7	-3.3	109.1	V69 Y70 F115	V69-R117 HydrophobicContact CG1-CB 3.97Å; V69-R117 HydrophobicContact CG1-CG 3.92Å; Y70-R117 CarbonylContact O-C 3.06Å; Y70-R117 WeakPolarHBondContact O-CA 3.45Å; F115-R117 PolarHBondContact O-N 3.3Å
118	S	78.6	Confident	74.6	Confident	33 Å²	33	88.9 Å²	88.9	23%	0.231	44%	0.44	C	S	.	.	B	Isolated β-bridge	trans	-145.5	143.5	174.3	177.4	0	0	0	0	110.5	V69 Y70 L120	V69-S118 CarbonylContact C-O 3.53Å; V69-S118 WeakPolarHBondContact CA-O 3.35Å; Y70-S118 PolarHBondContact N-O 2.96Å; Y70-S118 PolarHBondContact O-N 3.13Å; S118-L120 WeakPolarHBondContact CB-O 3.37Å; S118-L120 PolarHBondContact OG-N 3.15Å; S118-L120 PolarHBondContact OG-O 3.23Å
119	T	76.5	Confident	74.1	Confident	84 Å²	84	84.9 Å²	84.9	52%	0.515	42%	0.422	S	S	.	.	S	Bend	trans	-84.7	0	170	50.9	0	0	0	0	112.9
120	L	75.4	Confident	73.6	Confident	131 Å²	131	92.5 Å²	92.5	69%	0.686	45%	0.45	S	S	*	.	S	Bend	trans	-123.8	131.7	176.7	-60.9	174.7	0	0	0	109.8	Y70 S118	Y70-L120 VanDerWaalsContact CD2-C 3.48Å; S118-L120 WeakPolarHBondContact CB-O 3.37Å; S118-L120 PolarHBondContact OG-N 3.15Å; S118-L120 PolarHBondContact OG-O 3.23Å
121	S	78.9	Confident	73.2	Confident	54 Å²	54	95 Å²	95	38%	0.378	47%	0.466	S	S	.	.			trans	-64.5	144.5	171.8	-175.8	0	0	0	0	110.3	Y70 Q140	Y70-S121 VanDerWaalsContact CD2-N 3.31Å; S121-Q140 PolarHBondContact OG-OE1 3.25Å; S121-Q140 VanDerWaalsContact OG-OE1 3.11Å
122	S	73.9	Confident	73.3	Confident	32 Å²	32	94.7 Å²	94.7	22%	0.224	47%	0.465	C	S	.	.			trans	-65.5	135.1	-179.3	-157	0	0	0	0	111.5	H126	S122-H126 PolarHBondContact OG-CD2 2.65Å
123	R	63.7	Low	73.7	Confident	222 Å²	222	95.7 Å²	95.7	84%	0.838	47%	0.47	S	S	*	.			trans	-130.5	155.9	179.4	-65.9	-178.5	177.4	-173.5	-1.5	110.1
124	G	64.1	Low	74.3	Confident	39 Å²	39	89.7 Å²	89.7	40%	0.402	44%	0.444	S	S	.	.	S	Bend	trans	96.8	-129.9	-179.5	0	0	0	0	0	112.1	H126 T127	G124-H126 PolarHBondContact O-N 2.7Å; G124-H126 VanDerWaalsContact O-N 3.08Å; G124-T127 PolarHBondContact N-OG1 2.83Å; G124-T127 WeakPolarHBondContact O-CB 3.47Å; G124-T127 PolarHBondContact O-N 2.94Å; G124-T127 PolarHBondContact O-OG1 3.41Å
125	P	54.2	Low	74.8	Confident	96 Å²	96	89.6 Å²	89.6	62%	0.623	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-51.8	-36.3	-172.7	-30.2	36.4	0	0	0	115.2	T127 F128	P125-T127 PolarHBondContact O-N 3.31Å; P125-F128 HydrophobicContact CB-CD2 4.49Å; P125-F128 VanDerWaalsContact O-CD2 3.27Å; P125-F128 WeakPolarHBondContact O-CD2 3.27Å; P125-F128 PolarHBondContact O-N 3.36Å; P125-F128 VanDerWaalsContact O-N 3.07Å
126	H	59.1	Low	75.5	Confident	32 Å²	32	87.5 Å²	87.5	15%	0.148	44%	0.435	C	S	.	.	G	3₁₀ helix	trans	-60.9	-10.9	176.2	-58.5	-65.4	0	0	0	115.2	W74 Y94 H111 T114 S122 G124	W74-H126 HydrophobicContact CZ2-CB 4.3Å; Y94-H126 AromaticContact CZ-ND1 3.89Å; Y94-H126 WeakPolarHBondContact OH-CA 3.44Å; Y94-H126 WeakPolarHBondContact OH-CB 3.49Å; Y94-H126 PolarHBondContact OH-ND1 2.86Å; Y94-H126 VanDerWaalsContact OH-ND1 3.09Å; H111-H126 AromaticContact CD2-CE1 3.94Å; H111-H126 AromaticContact CE1-CE1 3.47Å; H111-H126 PolarHBondContact CE1-CE1 2.99Å; H111-H126 VanDerWaalsContact CE1-CE1 3.47Å; H111-H126 AromaticContact CG-CE1 3.75Å; H111-H126 AromaticContact ND1-CE1 3.45Å; H111-H126 PolarHBondContact ND1-CE1 3.08Å; H111-H126 AromaticContact NE2-CE1 3.75Å; T114-H126 PolarHBondContact OG1-CE1 3.07Å; T114-H126 PolarHBondContact OG1-NE2 3.18Å; S122-H126 PolarHBondContact OG-CD2 2.65Å; G124-H126 PolarHBondContact O-N 2.7Å; G124-H126 VanDerWaalsContact O-N 3.08Å
127	T	58.4	Low	76.4	Confident	45 Å²	45	84.8 Å²	84.8	28%	0.276	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-89	-15.9	178.4	-20.7	0	0	0	0	112.4	G124 P125 L129 R130	G124-T127 PolarHBondContact N-OG1 2.83Å; G124-T127 WeakPolarHBondContact O-CB 3.47Å; G124-T127 PolarHBondContact O-N 2.94Å; G124-T127 PolarHBondContact O-OG1 3.41Å; P125-T127 PolarHBondContact O-N 3.31Å; T127-L129 VanDerWaalsContact C-N 3.33Å; T127-R130 WeakPolarHBondContact O-CB 3Å; T127-R130 PolarHBondContact O-N 3Å
128	F	72.1	Confident	76.9	Confident	119 Å²	119	77.3 Å²	77.3	52%	0.522	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-70.2	-28.4	179	-65.7	-56.6	0	0	0	113.1	P125 R130 M131	P125-F128 HydrophobicContact CB-CD2 4.49Å; P125-F128 VanDerWaalsContact O-CD2 3.27Å; P125-F128 WeakPolarHBondContact O-CD2 3.27Å; P125-F128 PolarHBondContact O-N 3.36Å; P125-F128 VanDerWaalsContact O-N 3.07Å; F128-R130 PolarHBondContact O-N 3.06Å; F128-R130 VanDerWaalsContact O-N 3.16Å; F128-M131 HydrophobicContact CD1-CE 3.95Å; F128-M131 HydrophobicContact CD1-SD 3.89Å; F128-M131 HydrophobicContact CE1-CE 4.24Å; F128-M131 HydrophobicContact CE1-SD 4.43Å; F128-M131 WeakPolarHBondContact O-CA 3.46Å; F128-M131 WeakPolarHBondContact O-CB 3.29Å; F128-M131 PolarHBondContact O-N 2.97Å
129	L	80.6	Confident	77.3	Confident	1 Å²	1	79.7 Å²	79.7	1%	0.005	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	-57.3	-28.8	170.7	178.6	61.4	0	0	0	112	V76 V88 H92 Y94 F109 T127 M131 D132 V135 L138	V76-L129 HydrophobicContact CG2-CD2 4.22Å; V88-L129 HydrophobicContact CG1-CD1 3.58Å; H92-L129 HydrophobicContact CB-CB 4.2Å; H92-L129 HydrophobicContact CB-CD1 4.03Å; Y94-L129 HydrophobicContact CD1-CD2 4.42Å; Y94-L129 HydrophobicContact CD2-CD2 3.89Å; Y94-L129 HydrophobicContact CE1-CD2 4.21Å; Y94-L129 HydrophobicContact CE2-CB 4.18Å; Y94-L129 HydrophobicContact CE2-CD2 3.7Å; Y94-L129 HydrophobicContact CG-CD2 4.28Å; F109-L129 HydrophobicContact CD2-CD1 4.47Å; F109-L129 HydrophobicContact CD2-CD2 3.76Å; F109-L129 HydrophobicContact CE2-CD1 4.05Å; F109-L129 HydrophobicContact CE2-CD2 4.15Å; T127-L129 VanDerWaalsContact C-N 3.33Å; L129-M131 PolarHBondContact O-N 2.96Å; L129-D132 PolarHBondContact O-N 2.62Å; L129-V135 HydrophobicContact CD1-CG2 3.79Å; L129-V135 HydrophobicContact CG-CG2 4.35Å; L129-V135 VanDerWaalsContact O-CB 3.31Å; L129-V135 WeakPolarHBondContact O-CB 3.41Å; L129-V135 WeakPolarHBondContact O-CG1 3.25Å; L129-V135 WeakPolarHBondContact O-CG2 3.29Å; L129-L138 HydrophobicContact CB-CD1 4.14Å; L129-L138 HydrophobicContact CD2-CD1 3.56Å; L129-L138 HydrophobicContact CG-CD1 3.79Å
130	R	80.6	Confident	78	Confident	159 Å²	159	76.3 Å²	76.3	60%	0.6	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-78.2	-0	174.6	-154.1	-171.1	65.5	178.8	-1.7	113.7	T127 F128 L138	T127-R130 WeakPolarHBondContact O-CB 3Å; T127-R130 PolarHBondContact O-N 3Å; F128-R130 PolarHBondContact O-N 3.06Å; F128-R130 VanDerWaalsContact O-N 3.16Å; R130-L138 HydrophobicContact CB-CD2 4.27Å; R130-L138 HydrophobicContact CG-CD2 4.25Å
131	M	80.6	Confident	78.6	Confident	123 Å²	123	73.2 Å²	73.2	61%	0.606	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-110.2	-4.7	176.8	-51.9	-174	-166.2	0	0	112.1	F128 L129	F128-M131 HydrophobicContact CD1-CE 3.95Å; F128-M131 HydrophobicContact CD1-SD 3.89Å; F128-M131 HydrophobicContact CE1-CE 4.24Å; F128-M131 HydrophobicContact CE1-SD 4.43Å; F128-M131 WeakPolarHBondContact O-CA 3.46Å; F128-M131 WeakPolarHBondContact O-CB 3.29Å; F128-M131 PolarHBondContact O-N 2.97Å; L129-M131 PolarHBondContact O-N 2.96Å
132	D	86	Confident	79	Confident	17 Å²	17	73 Å²	73	9%	0.091	36%	0.356	C	S	.	.	S	Bend	trans	-67.2	129.3	172.7	-165.6	-68.2	0	0	0	109.6	H92 L129 Q134 V135	H92-D132 IonicContact CD2-OD2 3.68Å; H92-D132 IonicContact CE1-OD2 3.97Å; H92-D132 IonicContact NE2-OD2 2.89Å; H92-D132 PolarHBondContact NE2-OD2 2.6Å; L129-D132 PolarHBondContact O-N 2.62Å; D132-Q134 PolarHBondContact O-N 2.87Å; D132-Q134 PolarHBondContact OD1-N 2.52Å; D132-Q134 VanDerWaalsContact OD1-N 3.09Å; D132-V135 HydrophobicContact CB-CB 4.3Å; D132-V135 HydrophobicContact CB-CG2 3.92Å; D132-V135 PolarHBondContact O-N 3.09Å
133	P	85.4	Confident	79.2	Confident	103 Å²	103	75.3 Å²	75.3	67%	0.669	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-20.9	-174.4	24.5	-35	0	0	0	113.7	K136	P133-K136 PolarHBondContact O-NZ 3.19Å
134	Q	87.5	Confident	79.6	Confident	60 Å²	60	70.4 Å²	70.4	28%	0.28	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-23	176.7	-54.1	-66.9	30.3	0	0	113.4	V78 L79 E84 V88 D132 K136	V78-Q134 HydrophobicContact CG1-CB 3.78Å; L79-Q134 PolarHBondContact N-O 3.03Å; E84-Q134 HydrophobicContact CG-CG 4.05Å; E84-Q134 VanDerWaalsContact OE1-CG 3.29Å; E84-Q134 WeakPolarHBondContact OE1-CG 3.42Å; E84-Q134 PolarHBondContact OE1-NE2 3.23Å; V88-Q134 HydrophobicContact CG2-CB 4.21Å; V88-Q134 HydrophobicContact CG2-CG 4.39Å; D132-Q134 PolarHBondContact O-N 2.87Å; D132-Q134 PolarHBondContact OD1-N 2.52Å; D132-Q134 VanDerWaalsContact OD1-N 3.09Å; Q134-K136 PolarHBondContact O-N 3.48Å
135	V	89.6	Confident	79.5	Confident	15 Å²	15	79.4 Å²	79.4	9%	0.091	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	100.4	-178.1	175.8	0	0	0	0	109.8	V76 Q77 V78 V88 L129 D132 L138	V76-V135 HydrophobicContact CG1-CB 4.5Å; V76-V135 HydrophobicContact CG1-CG1 3.76Å; V76-V135 HydrophobicContact CG1-CG2 3.98Å; Q77-V135 CarbonylContact O-C 3.41Å; Q77-V135 VanDerWaalsContact O-CA 3.31Å; Q77-V135 WeakPolarHBondContact O-CA 3.49Å; V78-V135 HydrophobicContact CG2-CG2 4.21Å; V88-V135 HydrophobicContact CG1-CG2 3.68Å; L129-V135 HydrophobicContact CD1-CG2 3.79Å; L129-V135 HydrophobicContact CG-CG2 4.35Å; L129-V135 VanDerWaalsContact O-CB 3.31Å; L129-V135 WeakPolarHBondContact O-CB 3.41Å; L129-V135 WeakPolarHBondContact O-CG1 3.25Å; L129-V135 WeakPolarHBondContact O-CG2 3.29Å; D132-V135 HydrophobicContact CB-CB 4.3Å; D132-V135 HydrophobicContact CB-CG2 3.92Å; D132-V135 PolarHBondContact O-N 3.09Å; V135-L138 HydrophobicContact CG1-CB 4.16Å
136	K	90.4	Very high	79.7	Confident	117 Å²	117	85.4 Å²	85.4	51%	0.509	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	-25.9	179	-54.4	-50.4	-178	-167	0	112.8	Q77 L79 P133 Q134	Q77-K136 PolarHBondContact O-N 2.91Å; L79-K136 HydrophobicContact CD1-CD 4.27Å; L79-K136 HydrophobicContact CD1-CG 3.93Å; L79-K136 HydrophobicContact CD2-CG 4.21Å; L79-K136 HydrophobicContact CG-CD 4.48Å; L79-K136 HydrophobicContact CG-CG 3.76Å; P133-K136 PolarHBondContact O-NZ 3.19Å; Q134-K136 PolarHBondContact O-N 3.48Å
137	W	90.6	Very high	79.2	Confident	104 Å²	104	89.7 Å²	89.7	39%	0.394	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	148.8	-179.9	-179.7	87.6	0	0	0	111.2	A75 V76 Q77 Y106 Q139	A75-W137 HydrophobicContact CB-CH2 4.07Å; A75-W137 HydrophobicContact CB-CZ3 3.64Å; A75-W137 WeakPolarHBondContact O-CZ3 3.23Å; V76-W137 CarbonylContact C-O 3.45Å; V76-W137 WeakPolarHBondContact CA-O 3.37Å; Q77-W137 HydrophobicContact CB-CB 3.89Å; Q77-W137 PolarHBondContact N-O 3.31Å; Y106-W137 HydrophobicContact CD1-CE3 4.22Å; Y106-W137 HydrophobicContact CD1-CZ3 4.38Å; Y106-W137 AromaticContact CE1-CE3 3.95Å; Y106-W137 HydrophobicContact CE1-CE3 3.95Å; Y106-W137 HydrophobicContact CE1-CZ3 4.36Å; W137-Q139 HydrophobicContact CH2-CB 3.48Å; W137-Q139 VanDerWaalsContact CH2-CB 3.48Å; W137-Q139 HydrophobicContact CZ2-CB 3.46Å; W137-Q139 VanDerWaalsContact CZ2-CB 3.46Å; W137-Q139 HydrophobicContact CZ2-CG 4.37Å; W137-Q139 HydrophobicContact CZ3-CB 4.2Å
138	L	88.6	Confident	78.4	Confident	37 Å²	37	97 Å²	97	19%	0.194	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	132.6	179.3	156.3	141.3	0	0	0	110.2	A75 V76 L129 R130 V135	A75-L138 WeakPolarHBondContact O-CA 3.11Å; V76-L138 HydrophobicContact CG2-CD1 4.35Å; L129-L138 HydrophobicContact CB-CD1 4.14Å; L129-L138 HydrophobicContact CD2-CD1 3.56Å; L129-L138 HydrophobicContact CG-CD1 3.79Å; R130-L138 HydrophobicContact CB-CD2 4.27Å; R130-L138 HydrophobicContact CG-CD2 4.25Å; V135-L138 HydrophobicContact CG1-CB 4.16Å
139	Q	87.9	Confident	77.1	Confident	83 Å²	83	102.6 Å²	102.6	39%	0.388	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	122.5	171.8	-176.6	174	37.7	0	0	111.8	W74 A75 W137 Q141	W74-Q139 WeakPolarHBondContact CA-O 3.3Å; A75-Q139 PolarHBondContact N-O 3.32Å; A75-Q139 PolarHBondContact O-N 3.04Å; W137-Q139 HydrophobicContact CH2-CB 3.48Å; W137-Q139 VanDerWaalsContact CH2-CB 3.48Å; W137-Q139 HydrophobicContact CZ2-CB 3.46Å; W137-Q139 VanDerWaalsContact CZ2-CB 3.46Å; W137-Q139 HydrophobicContact CZ2-CG 4.37Å; W137-Q139 HydrophobicContact CZ3-CB 4.2Å; Q139-Q141 PolarHBondContact O-N 3.47Å; Q139-Q141 PolarHBondContact O-NE2 2.76Å
140	Q	89.6	Confident	75.3	Confident	13 Å²	13	109.2 Å²	109.2	6%	0.061	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	129.7	166.9	-168.8	176.5	5.9	0	0	109.4	Y70 T71 W74 S121	Y70-Q140 HydrophobicContact CD1-CB 4.37Å; Y70-Q140 HydrophobicContact CD1-CG 4.25Å; T71-Q140 WeakPolarHBondContact O-CG 3.17Å; T71-Q140 PolarHBondContact O-NE2 2.62Å; W74-Q140 VanDerWaalsContact CD1-CA 3.5Å; W74-Q140 HydrophobicContact CD2-CG 4.28Å; W74-Q140 HydrophobicContact CG-CB 4.43Å; W74-Q140 HydrophobicContact CZ2-CG 4.08Å; S121-Q140 PolarHBondContact OG-OE1 3.25Å; S121-Q140 VanDerWaalsContact OG-OE1 3.11Å
141	Q	89.6	Confident	73.3	Confident	67 Å²	67	108 Å²	108	31%	0.313	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	130.2	-170.6	-64.7	-57.5	-68.3	0	0	111.9	T71 H73 Q139	T71-Q141 PolarHBondContact N-O 3.17Å; T71-Q141 PolarHBondContact OG1-O 3.09Å; T71-Q141 VanDerWaalsContact OG1-O 3.12Å; H73-Q141 HydrophobicContact CB-CB 4.3Å; H73-Q141 HydrophobicContact CB-CG 4.34Å; H73-Q141 PolarHBondContact O-N 2.84Å; Q139-Q141 PolarHBondContact O-N 3.47Å; Q139-Q141 PolarHBondContact O-NE2 2.76Å
142	E	87.3	Confident	71.4	Confident	50 Å²	50	114 Å²	114	23%	0.234	52%	0.515	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	142.3	178.8	-70.5	176.5	-175.5	0	0	111	P68 V69 Y70 K144	P68-E142 HydrophobicContact CB-CG 4.36Å; V69-E142 CarbonylContact O-C 3.49Å; V69-E142 WeakPolarHBondContact O-CA 3.41Å; Y70-E142 HydrophobicContact CD1-CG 3.65Å; Y70-E142 HydrophobicContact CE1-CG 3.35Å; Y70-E142 WeakPolarHBondContact CE1-OE1 3.42Å; Y70-E142 HydrophobicContact CG-CG 4.48Å; Y70-E142 VanDerWaalsContact CZ-OE1 3.22Å; Y70-E142 PolarHBondContact OH-OE1 3.3Å; E142-K144 HydrophobicContact CB-CD 4.3Å; E142-K144 PolarHBondContact O-N 3.32Å; E142-K144 IonicContact OE2-NZ 3.47Å; E142-K144 PolarHBondContact OE2-NZ 2.87Å
143	V	77	Confident	69.1	Low	79 Å²	79	117.2 Å²	117.2	48%	0.479	54%	0.539	S	S	.	.			trans	-69.5	94.3	173.2	-176.4	0	0	0	0	109.9	V69 T71	V69-V143 HydrophobicContact CB-CB 4.26Å; V69-V143 HydrophobicContact CB-CG2 4.2Å; V69-V143 HydrophobicContact CG1-CG2 4.09Å; V69-V143 PolarHBondContact O-N 3.19Å; T71-V143 HydrophobicContact CG2-CG2 3.82Å
144	K	71.5	Confident	67.2	Low	119 Å²	119	117 Å²	117	52%	0.517	53%	0.532	S	S	.	.			trans	-79.8	117.9	176.3	-56.3	-55.5	-172.1	179.8	0	110.9	E142 R146	E142-K144 HydrophobicContact CB-CD 4.3Å; E142-K144 PolarHBondContact O-N 3.32Å; E142-K144 IonicContact OE2-NZ 3.47Å; E142-K144 PolarHBondContact OE2-NZ 2.87Å; K144-R146 PolarHBondContact O-N 3.05Å; K144-R146 VanDerWaalsContact O-N 3.15Å
145	R	62.1	Low	65.2	Low	229 Å²	229	120.6 Å²	120.6	86%	0.864	56%	0.561	S	S	*	*			trans	-65.5	109.9	169.9	-172.6	175.8	75.3	170.5	3.5	109.7
146	R	58.3	Low	63.4	Low	221 Å²	221	126.8 Å²	126.8	83%	0.834	59%	0.589	S	S	*	*			trans	-111.5	133.7	175.7	-65.1	-178.8	-179.6	-179	0.7	109.6	K144	K144-R146 PolarHBondContact O-N 3.05Å; K144-R146 VanDerWaalsContact O-N 3.15Å
147	V	50.5	Low	61.9	Low	123 Å²	123	123.8 Å²	123.8	75%	0.745	59%	0.586	S	S	*	*			trans	-112.4	142	170.9	-176.6	0	0	0	0	107.5	R149	V147-R149 PolarHBondContact O-N 3.32Å
148	K	39.6	Very low	61	Low	197 Å²	197	121.4 Å²	121.4	86%	0.857	58%	0.58	S	S	*	*			trans	-64.1	115.6	178.6	-172.3	176.2	-178.4	-178.9	0	108.9	Q150	K148-Q150 PolarHBondContact O-N 2.88Å
149	R	46.7	Very low	60.6	Low	238 Å²	238	126.2 Å²	126.2	90%	0.898	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-62.1	121.9	172.5	-69.1	-179.3	178.7	170.6	-1.2	108	V147	V147-R149 PolarHBondContact O-N 3.32Å
150	Q	41.6	Very low	60.6	Low	140 Å²	140	122.7 Å²	122.7	65%	0.654	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-64.8	137.8	176.2	-73.4	171.4	-34.5	0	0	110	K148 Y159	K148-Q150 PolarHBondContact O-N 2.88Å; Q150-Y159 VanDerWaalsContact NE2-CE1 3.33Å
151	V	39	Very low	60.6	Low	132 Å²	132	124.8 Å²	124.8	80%	0.8	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-65.7	137.6	156.9	177.7	0	0	0	0	106.6	S153	V151-S153 PolarHBondContact O-N 3.05Å
152	R	41.2	Very low	60.8	Low	250 Å²	250	121.9 Å²	121.9	94%	0.943	58%	0.578	S	S	*	*			trans	-64.9	97.3	175.4	-79.8	-178.5	169.7	174.1	-4.2	109.8
153	S	38.2	Very low	60.9	Low	84 Å²	84	123.3 Å²	123.3	59%	0.587	59%	0.592	S	S	*	*			trans	-80.9	161.6	169.1	50.1	0	0	0	0	111.5	V151	V151-S153 PolarHBondContact O-N 3.05Å
154	D	44.1	Very low	61.6	Low	99 Å²	99	121.3 Å²	121.3	53%	0.529	58%	0.578	S	S	.	*			trans	-40.3	127.5	175.9	-177	-13.2	0	0	0	113.7	Q156 A157	D154-Q156 PolarHBondContact O-N 3Å; D154-Q156 VanDerWaalsContact O-N 3.09Å; D154-Q156 WeakPolarHBondContact OD1-CB 3.35Å; D154-Q156 PolarHBondContact OD1-N 2.98Å; D154-A157 HydrophobicContact CB-CB 4.41Å; D154-A157 WeakPolarHBondContact O-CB 3.38Å; D154-A157 PolarHBondContact O-N 3.41Å
155	P	46.3	Very low	62.5	Low	136 Å²	136	116.7 Å²	116.7	88%	0.883	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	-7.6	177.4	28.4	-36.3	0	0	0	114.8
156	Q	51	Low	63.6	Low	145 Å²	145	109.9 Å²	109.9	68%	0.678	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-0.4	171.9	-59	-166.3	2.2	0	0	114.3	D154 K191	D154-Q156 PolarHBondContact O-N 3Å; D154-Q156 VanDerWaalsContact O-N 3.09Å; D154-Q156 WeakPolarHBondContact OD1-CB 3.35Å; D154-Q156 PolarHBondContact OD1-N 2.98Å; Q156-K191 WeakPolarHBondContact O-CE 3.29Å; Q156-K191 PolarHBondContact O-NZ 2.95Å
157	A	58.9	Low	65.1	Low	54 Å²	54	103.2 Å²	103.2	45%	0.446	53%	0.526	S	S	.	.			trans	-85.9	112.2	177.9	0	0	0	0	0	111.1	D154 Y159	D154-A157 HydrophobicContact CB-CB 4.41Å; D154-A157 WeakPolarHBondContact O-CB 3.38Å; D154-A157 PolarHBondContact O-N 3.41Å; A157-Y159 PolarHBondContact O-N 2.76Å
158	L	72.9	Confident	67	Low	54 Å²	54	97.4 Å²	97.4	28%	0.283	49%	0.491	S	S	.	.			trans	-68	103.3	167	-71.1	179.7	0	0	0	108.5	F160 W190 K191	L158-F160 HydrophobicContact CB-CE2 4.01Å; L158-W190 HydrophobicContact CD1-CB 3.73Å; L158-W190 HydrophobicContact CD1-CE3 4.02Å; L158-K191 HydrophobicContact CD1-CG 3.91Å; L158-K191 HydrophobicContact CG-CG 4.12Å
159	Y	78.7	Confident	69.3	Low	138 Å²	138	88.4 Å²	88.4	54%	0.541	45%	0.452	S	S	.	.			trans	-101	113.9	175.5	179.8	-96.6	0	0	0	109.9	Q150 A157 N161	Q150-Y159 VanDerWaalsContact NE2-CE1 3.33Å; A157-Y159 PolarHBondContact O-N 2.76Å; Y159-N161 HydrophobicContact CE1-CB 4.16Å
160	F	88.6	Confident	71.4	Confident	8 Å²	8	77.2 Å²	77.2	4%	0.035	41%	0.409	C	S	.	.			trans	-95	139.2	168.4	-66.9	-82.8	0	0	0	108.9	L158 D162 W165 W190 A258 N259 V265 Y269	L158-F160 HydrophobicContact CB-CE2 4.01Å; F160-D162 WeakPolarHBondContact CB-OD2 3.35Å; F160-D162 PolarHBondContact O-N 3.22Å; F160-W165 HydrophobicContact CB-CB 4.34Å; F160-W165 HydrophobicContact CB-CD2 3.98Å; F160-W165 HydrophobicContact CB-CE3 4.46Å; F160-W165 HydrophobicContact CB-CG 3.87Å; F160-W165 AromaticContact CD2-CD2 3.9Å; F160-W165 HydrophobicContact CD2-CD2 3.9Å; F160-W165 AromaticContact CD2-CE2 3.73Å; F160-W165 HydrophobicContact CD2-CE3 4.06Å; F160-W165 HydrophobicContact CD2-CH2 4.05Å; F160-W165 AromaticContact CD2-CZ2 3.83Å; F160-W165 HydrophobicContact CD2-CZ2 3.83Å; F160-W165 HydrophobicContact CD2-CZ3 4.14Å; F160-W165 HydrophobicContact CE2-CH2 4.22Å; F160-W165 HydrophobicContact CE2-CZ2 4.27Å; F160-W165 HydrophobicContact CE2-CZ3 4.45Å; F160-W165 HydrophobicContact CG-CD2 4.3Å; F160-W165 HydrophobicContact CG-CE3 4.46Å; F160-W190 HydrophobicContact CD2-CZ3 4.33Å; F160-W190 AromaticContact CE2-CE3 3.72Å; F160-W190 HydrophobicContact CE2-CE3 3.72Å; F160-W190 HydrophobicContact CE2-CH2 4.35Å; F160-W190 AromaticContact CE2-CZ3 3.41Å; F160-W190 HydrophobicContact CE2-CZ3 3.41Å; F160-W190 VanDerWaalsContact CE2-CZ3 3.41Å; F160-W190 AromaticContact CZ-CE3 3.78Å; F160-W190 HydrophobicContact CZ-CE3 3.78Å; F160-W190 HydrophobicContact CZ-CH2 4.39Å; F160-W190 AromaticContact CZ-CZ3 3.68Å; F160-W190 HydrophobicContact CZ-CZ3 3.68Å; F160-A258 HydrophobicContact CD1-CB 3.84Å; F160-A258 HydrophobicContact CE1-CB 3.64Å; F160-N259 WeakPolarHBondContact CA-OD1 3.36Å; F160-N259 VanDerWaalsContact CD1-ND2 3.31Å; F160-N259 WeakPolarHBondContact CD1-ND2 3.2Å; F160-V265 HydrophobicContact CB-CG2 3.92Å; F160-V265 HydrophobicContact CD1-CG1 4.12Å; F160-V265 HydrophobicContact CD1-CG2 3.72Å; F160-V265 HydrophobicContact CD2-CG2 4.49Å; F160-V265 HydrophobicContact CE1-CG1 3.94Å; F160-V265 HydrophobicContact CE1-CG2 4.39Å; F160-V265 HydrophobicContact CG-CG2 3.78Å; F160-V265 HydrophobicContact CZ-CG1 4.29Å; F160-Y269 HydrophobicContact CE1-CE1 4.04Å; F160-Y269 AromaticContact CZ-CE1 3.88Å; F160-Y269 HydrophobicContact CZ-CE1 3.88Å
161	N	89.2	Confident	73.7	Confident	58 Å²	58	70.7 Å²	70.7	31%	0.31	38%	0.379	S	S	.	.			trans	-85.7	1.2	-178.9	71.7	46.8	0	0	0	113.4	Y159 N259 S261	Y159-N161 HydrophobicContact CE1-CB 4.16Å; N161-N259 PolarHBondContact N-OD1 2.94Å; N161-N259 VanDerWaalsContact N-OD1 3.15Å; N161-N259 WeakPolarHBondContact ND2-CA 3.48Å; N161-N259 WeakPolarHBondContact ND2-CB 3.39Å; N161-N259 PolarHBondContact ND2-O 3.48Å; N161-N259 PolarHBondContact ND2-OD1 2.9Å; N161-N259 VanDerWaalsContact OD1-C 3.31Å; N161-N259 PolarHBondContact OD1-O 3.46Å; N161-S261 VanDerWaalsContact CG-OG 3.28Å; N161-S261 WeakPolarHBondContact OD1-CA 3.42Å; N161-S261 WeakPolarHBondContact OD1-CB 3.37Å; N161-S261 PolarHBondContact OD1-N 3.47Å; N161-S261 PolarHBondContact OD1-OG 2.88Å
162	D	93.2	Very high	75.7	Confident	5 Å²	5	65.5 Å²	65.5	3%	0.027	35%	0.346	C	S	.	.			trans	-80.3	132.4	-169.3	-46.2	-62	0	0	0	111.1	F160 I164 W165 N259 N260 S261 V265	F160-D162 WeakPolarHBondContact CB-OD2 3.35Å; F160-D162 PolarHBondContact O-N 3.22Å; D162-I164 VanDerWaalsContact C-N 3.33Å; D162-I164 PolarHBondContact O-N 3Å; D162-W165 WeakPolarHBondContact O-CB 3.31Å; D162-W165 PolarHBondContact O-N 2.79Å; D162-W165 VanDerWaalsContact O-N 3.08Å; D162-N259 VanDerWaalsContact CG-N 3.31Å; D162-N259 VanDerWaalsContact OD1-C 3.3Å; D162-N259 WeakPolarHBondContact OD1-CA 3.48Å; D162-N259 PolarHBondContact OD1-N 3.43Å; D162-N259 VanDerWaalsContact OD1-N 3.14Å; D162-N259 WeakPolarHBondContact OD2-CA 3.36Å; D162-N259 PolarHBondContact OD2-N 3.42Å; D162-N260 PolarHBondContact OD1-N 3.17Å; D162-N260 PolarHBondContact OD1-OD1 3.32Å; D162-N260 VanDerWaalsContact OD1-OD1 3.13Å; D162-S261 PolarHBondContact OD1-N 3.39Å; D162-V265 HydrophobicContact CB-CG2 4.21Å; D162-V265 WeakPolarHBondContact OD2-CG2 3.46Å
163	P	90	Very high	77	Confident	81 Å²	81	55.5 Å²	55.5	53%	0.526	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-23.8	-157	24.9	-35.6	0	0	0	115.3	Y262	P163-Y262 VanDerWaalsContact CD-C 3.44Å
164	I	91.4	Very high	77.8	Confident	36 Å²	36	54.7 Å²	54.7	19%	0.185	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-0.3	-179.6	-50.3	178	0	0	0	110.9	D162 S166 N167 C263 I264 V404 C412	D162-I164 VanDerWaalsContact C-N 3.33Å; D162-I164 PolarHBondContact O-N 3Å; I164-S166 PolarHBondContact O-N 2.85Å; I164-S166 VanDerWaalsContact O-N 3.1Å; I164-N167 HydrophobicContact CG2-CB 3.95Å; I164-N167 WeakPolarHBondContact O-CB 3.32Å; I164-N167 PolarHBondContact O-N 2.87Å; I164-C263 VanDerWaalsContact CB-O 3.24Å; I164-C263 WeakPolarHBondContact CB-O 3.38Å; I164-C263 PolarHBondContact N-O 3.06Å; I164-I264 HydrophobicContact CB-CG2 3.9Å; I164-I264 HydrophobicContact CG2-CG2 4.04Å; I164-V404 HydrophobicContact CG2-CB 3.75Å; I164-V404 HydrophobicContact CG2-CG1 3.64Å; I164-V404 HydrophobicContact CG2-CG2 4.08Å; I164-C412 HydrophobicContact CD1-CB 3.29Å; I164-C412 VanDerWaalsContact CD1-SG 3.55Å
165	W	90.2	Very high	78.2	Confident	22 Å²	22	55.9 Å²	55.9	8%	0.083	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-47.6	-44.3	178	171.6	-116.6	0	0	0	112.6	F160 D162 N167 M168 L171 H172 Q187 W190 V265	F160-W165 HydrophobicContact CB-CB 4.34Å; F160-W165 HydrophobicContact CB-CD2 3.98Å; F160-W165 HydrophobicContact CB-CE3 4.46Å; F160-W165 HydrophobicContact CB-CG 3.87Å; F160-W165 AromaticContact CD2-CD2 3.9Å; F160-W165 HydrophobicContact CD2-CD2 3.9Å; F160-W165 AromaticContact CD2-CE2 3.73Å; F160-W165 HydrophobicContact CD2-CE3 4.06Å; F160-W165 HydrophobicContact CD2-CH2 4.05Å; F160-W165 AromaticContact CD2-CZ2 3.83Å; F160-W165 HydrophobicContact CD2-CZ2 3.83Å; F160-W165 HydrophobicContact CD2-CZ3 4.14Å; F160-W165 HydrophobicContact CE2-CH2 4.22Å; F160-W165 HydrophobicContact CE2-CZ2 4.27Å; F160-W165 HydrophobicContact CE2-CZ3 4.45Å; F160-W165 HydrophobicContact CG-CD2 4.3Å; F160-W165 HydrophobicContact CG-CE3 4.46Å; D162-W165 WeakPolarHBondContact O-CB 3.31Å; D162-W165 PolarHBondContact O-N 2.79Å; D162-W165 VanDerWaalsContact O-N 3.08Å; W165-N167 PolarHBondContact O-N 2.85Å; W165-M168 HydrophobicContact CE3-CB 4.34Å; W165-M168 HydrophobicContact CE3-CG 4.27Å; W165-M168 HydrophobicContact CE3-SD 3.68Å; W165-M168 HydrophobicContact CZ3-CB 4.39Å; W165-M168 HydrophobicContact CZ3-SD 4.1Å; W165-M168 WeakPolarHBondContact O-CB 3.17Å; W165-M168 WeakPolarHBondContact O-CG 3.49Å; W165-M168 PolarHBondContact O-N 2.96Å; W165-M168 VanDerWaalsContact O-N 3.1Å; W165-L171 HydrophobicContact CH2-CB 4.46Å; W165-L171 HydrophobicContact CZ3-CB 4.4Å; W165-L171 HydrophobicContact CZ3-CD1 4.29Å; W165-H172 AromaticContact CD2-NE2 3.77Å; W165-H172 AromaticContact CE2-CD2 3.73Å; W165-H172 AromaticContact CE2-CE1 3.85Å; W165-H172 AromaticContact CE2-NE2 3.48Å; W165-H172 HydrophobicContact CH2-CB 4.21Å; W165-H172 AromaticContact CH2-CD2 3.28Å; W165-H172 WeakPolarHBondContact CH2-CD2 3.39Å; W165-H172 AromaticContact CH2-CG 3.82Å; W165-H172 AromaticContact CH2-NE2 3.89Å; W165-H172 HydrophobicContact CZ2-CB 4.14Å; W165-H172 AromaticContact CZ2-CD2 3.26Å; W165-H172 WeakPolarHBondContact CZ2-CD2 3.38Å; W165-H172 AromaticContact CZ2-CE1 3.95Å; W165-H172 AromaticContact CZ2-CG 3.53Å; W165-H172 AromaticContact CZ2-ND1 3.97Å; W165-H172 AromaticContact CZ2-NE2 3.54Å; W165-H172 AromaticContact CZ3-CD2 3.79Å; W165-H172 AromaticContact NE1-CE1 3.91Å; W165-H172 AromaticContact NE1-NE2 3.94Å; W165-H172 PolarHBondContact O-NE2 2.95Å; W165-Q187 HydrophobicContact CH2-CG 4.4Å; W165-W190 HydrophobicContact CH2-CH2 4.18Å; W165-W190 AromaticContact CH2-CZ3 3.6Å; W165-W190 HydrophobicContact CH2-CZ3 3.6Å; W165-W190 AromaticContact CZ3-CH2 3.9Å; W165-W190 HydrophobicContact CZ3-CH2 3.9Å; W165-W190 AromaticContact CZ3-CZ3 3.77Å; W165-W190 HydrophobicContact CZ3-CZ3 3.77Å; W165-V265 HydrophobicContact CE3-CB 4.2Å; W165-V265 HydrophobicContact CE3-CG2 4.02Å; W165-V265 HydrophobicContact CZ3-CB 4.41Å
166	S	86.6	Confident	78.2	Confident	86 Å²	86	59.2 Å²	59.2	60%	0.601	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-57.4	-19.2	178.4	51.2	0	0	0	0	115.3	I164	I164-S166 PolarHBondContact O-N 2.85Å; I164-S166 VanDerWaalsContact O-N 3.1Å
167	N	88.6	Confident	78.2	Confident	82 Å²	82	60.5 Å²	60.5	44%	0.439	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-99.8	-6.1	-174.9	-59.7	29.7	0	0	0	112.2	I164 W165 W169 V404	I164-N167 HydrophobicContact CG2-CB 3.95Å; I164-N167 WeakPolarHBondContact O-CB 3.32Å; I164-N167 PolarHBondContact O-N 2.87Å; W165-N167 PolarHBondContact O-N 2.85Å; N167-W169 PolarHBondContact O-N 3.16Å; N167-V404 HydrophobicContact CB-CG1 4.22Å; N167-V404 HydrophobicContact CB-CG2 4.47Å
168	M	91.1	Very high	77.8	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.005	33%	0.333	C	S	.	.			trans	-76.7	58.9	-178.5	-53.8	-164.7	80.9	0	0	112.7	W165 Y170 L171 H172 I264 V265 V404	W165-M168 HydrophobicContact CE3-CB 4.34Å; W165-M168 HydrophobicContact CE3-CG 4.27Å; W165-M168 HydrophobicContact CE3-SD 3.68Å; W165-M168 HydrophobicContact CZ3-CB 4.39Å; W165-M168 HydrophobicContact CZ3-SD 4.1Å; W165-M168 WeakPolarHBondContact O-CB 3.17Å; W165-M168 WeakPolarHBondContact O-CG 3.49Å; W165-M168 PolarHBondContact O-N 2.96Å; W165-M168 VanDerWaalsContact O-N 3.1Å; M168-Y170 HydrophobicContact CB-CE1 4.36Å; M168-Y170 HydrophobicContact CE-CE2 4.3Å; M168-Y170 WeakPolarHBondContact CE-OH 3.45Å; M168-Y170 PolarHBondContact O-N 3.06Å; M168-Y170 VanDerWaalsContact O-N 3.08Å; M168-L171 HydrophobicContact CB-CB 4.43Å; M168-L171 HydrophobicContact CB-CD1 4.39Å; M168-L171 HydrophobicContact CB-CG 4.4Å; M168-L171 HydrophobicContact CE-CD1 3.67Å; M168-L171 PolarHBondContact O-N 2.75Å; M168-L171 HydrophobicContact SD-CD1 4.21Å; M168-H172 PolarHBondContact O-CD2 2.94Å; M168-H172 VanDerWaalsContact O-CD2 3.27Å; M168-H172 PolarHBondContact O-N 2.86Å; M168-H172 VanDerWaalsContact O-N 3.15Å; M168-I264 HydrophobicContact CE-CB 3.76Å; M168-I264 HydrophobicContact CE-CD1 3.91Å; M168-I264 HydrophobicContact CE-CG1 4.47Å; M168-I264 HydrophobicContact CE-CG2 4.21Å; M168-I264 HydrophobicContact SD-CB 3.8Å; M168-I264 HydrophobicContact SD-CG2 4.22Å; M168-V265 VanDerWaalsContact CE-O 3.29Å; M168-V265 WeakPolarHBondContact CE-O 3.37Å; M168-V265 HydrophobicContact SD-CB 4.32Å; M168-V265 PolarHBondContact SD-N 2.88Å; M168-V265 VanDerWaalsContact SD-N 3.44Å; M168-V404 HydrophobicContact CB-CG2 4.39Å; M168-V404 HydrophobicContact CG-CG2 3.74Å
169	W	88.7	Confident	76.9	Confident	8 Å²	8	70 Å²	70	3%	0.03	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-23	-170.6	64.4	-92.2	0	0	0	115.6	N167 H172 E374 Y393 R401 K402 I403	N167-W169 PolarHBondContact O-N 3.16Å; W169-H172 CarbonylContact C-O 3.58Å; W169-H172 WeakPolarHBondContact CA-O 3.48Å; W169-E374 HydrophobicContact CE3-CB 4.28Å; W169-E374 HydrophobicContact CE3-CG 4.02Å; W169-E374 VanDerWaalsContact CH2-CA 3.48Å; W169-E374 HydrophobicContact CH2-CB 3.66Å; W169-E374 HydrophobicContact CH2-CG 4.32Å; W169-E374 HydrophobicContact CZ2-CB 4.19Å; W169-E374 VanDerWaalsContact CZ3-CA 3.5Å; W169-E374 HydrophobicContact CZ3-CB 3.74Å; W169-E374 HydrophobicContact CZ3-CG 3.93Å; W169-Y393 AromaticContact CH2-CD1 3.73Å; W169-Y393 HydrophobicContact CH2-CD1 3.73Å; W169-Y393 AromaticContact CH2-CG 3.76Å; W169-Y393 HydrophobicContact CH2-CG 3.76Å; W169-Y393 AromaticContact CZ3-CD1 3.49Å; W169-Y393 HydrophobicContact CZ3-CD1 3.49Å; W169-Y393 VanDerWaalsContact CZ3-CD1 3.49Å; W169-Y393 HydrophobicContact CZ3-CD2 4.02Å; W169-Y393 AromaticContact CZ3-CE1 3.9Å; W169-Y393 HydrophobicContact CZ3-CE1 3.9Å; W169-Y393 HydrophobicContact CZ3-CE2 4.4Å; W169-Y393 AromaticContact CZ3-CG 3.55Å; W169-Y393 HydrophobicContact CZ3-CG 3.55Å; W169-R401 VanDerWaalsContact CB-NH1 3.33Å; W169-R401 HydrophobicContact CD2-CB 4.3Å; W169-R401 HydrophobicContact CG-CB 4.16Å; W169-R401 HydrophobicContact CZ2-CB 4.43Å; W169-R401 VanDerWaalsContact NE1-CB 3.32Å; W169-K402 PolarHBondContact NE1-O 2.88Å; W169-I403 HydrophobicContact CZ2-CD1 3.79Å
170	Y	90.4	Very high	75.8	Confident	3 Å²	3	65.1 Å²	65.1	1%	0.012	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-9.2	178.9	52.2	-82.2	0	0	0	112.9	M168 S182 I403 V404 M425	M168-Y170 HydrophobicContact CB-CE1 4.36Å; M168-Y170 HydrophobicContact CE-CE2 4.3Å; M168-Y170 WeakPolarHBondContact CE-OH 3.45Å; M168-Y170 PolarHBondContact O-N 3.06Å; M168-Y170 VanDerWaalsContact O-N 3.08Å; Y170-S182 VanDerWaalsContact C-OG 3.29Å; Y170-S182 PolarHBondContact O-OG 2.83Å; Y170-I403 HydrophobicContact CD1-CD1 3.53Å; Y170-I403 HydrophobicContact CE1-CD1 3.81Å; Y170-I403 HydrophobicContact CE1-CG2 4.07Å; Y170-I403 HydrophobicContact CE2-CG2 4.32Å; Y170-I403 HydrophobicContact CG-CD1 3.93Å; Y170-V404 HydrophobicContact CE1-CG2 3.92Å; Y170-V404 PolarHBondContact OH-O 3.37Å; Y170-M425 HydrophobicContact CD2-CE 3.38Å; Y170-M425 HydrophobicContact CD2-SD 3.8Å; Y170-M425 HydrophobicContact CE2-CE 3.48Å; Y170-M425 VanDerWaalsContact CE2-CE 3.48Å; Y170-M425 HydrophobicContact CE2-SD 4.26Å; Y170-M425 HydrophobicContact CG-CE 4Å
171	L	89.6	Confident	74.5	Confident	2 Å²	2	73.4 Å²	73.4	1%	0.01	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-30.5	172.1	-54.2	-171.8	0	0	0	112.4	W165 M168 S182 V186 W190 I267	W165-L171 HydrophobicContact CH2-CB 4.46Å; W165-L171 HydrophobicContact CZ3-CB 4.4Å; W165-L171 HydrophobicContact CZ3-CD1 4.29Å; M168-L171 HydrophobicContact CB-CB 4.43Å; M168-L171 HydrophobicContact CB-CD1 4.39Å; M168-L171 HydrophobicContact CB-CG 4.4Å; M168-L171 HydrophobicContact CE-CD1 3.67Å; M168-L171 PolarHBondContact O-N 2.75Å; M168-L171 HydrophobicContact SD-CD1 4.21Å; L171-S182 WeakPolarHBondContact CA-OG 3.37Å; L171-S182 PolarHBondContact O-OG 3.35Å; L171-V186 HydrophobicContact CD2-CB 4.18Å; L171-V186 HydrophobicContact CD2-CG1 4.31Å; L171-V186 HydrophobicContact CD2-CG2 4Å; L171-W190 HydrophobicContact CD1-CH2 4Å; L171-W190 HydrophobicContact CD1-CZ2 4.45Å; L171-I267 HydrophobicContact CD1-CG1 4.43Å; L171-I267 HydrophobicContact CD2-CD1 3.92Å; L171-I267 HydrophobicContact CD2-CG1 3.65Å
172	H	80.2	Confident	73.6	Confident	24 Å²	24	71.3 Å²	71.3	11%	0.111	37%	0.372	C	S	.	.			trans	-157	162.1	179	75.1	105.9	0	0	0	113.5	W165 M168 W169 Q187	W165-H172 AromaticContact CD2-NE2 3.77Å; W165-H172 AromaticContact CE2-CD2 3.73Å; W165-H172 AromaticContact CE2-CE1 3.85Å; W165-H172 AromaticContact CE2-NE2 3.48Å; W165-H172 HydrophobicContact CH2-CB 4.21Å; W165-H172 AromaticContact CH2-CD2 3.28Å; W165-H172 WeakPolarHBondContact CH2-CD2 3.39Å; W165-H172 AromaticContact CH2-CG 3.82Å; W165-H172 AromaticContact CH2-NE2 3.89Å; W165-H172 HydrophobicContact CZ2-CB 4.14Å; W165-H172 AromaticContact CZ2-CD2 3.26Å; W165-H172 WeakPolarHBondContact CZ2-CD2 3.38Å; W165-H172 AromaticContact CZ2-CE1 3.95Å; W165-H172 AromaticContact CZ2-CG 3.53Å; W165-H172 AromaticContact CZ2-ND1 3.97Å; W165-H172 AromaticContact CZ2-NE2 3.54Å; W165-H172 AromaticContact CZ3-CD2 3.79Å; W165-H172 AromaticContact NE1-CE1 3.91Å; W165-H172 AromaticContact NE1-NE2 3.94Å; W165-H172 PolarHBondContact O-NE2 2.95Å; M168-H172 PolarHBondContact O-CD2 2.94Å; M168-H172 VanDerWaalsContact O-CD2 3.27Å; M168-H172 PolarHBondContact O-N 2.86Å; M168-H172 VanDerWaalsContact O-N 3.15Å; W169-H172 CarbonylContact C-O 3.58Å; W169-H172 WeakPolarHBondContact CA-O 3.48Å; H172-Q187 VanDerWaalsContact CB-CD 3.41Å; H172-Q187 HydrophobicContact CB-CG 4.14Å
173	C	69.9	Low	73.1	Confident	40 Å²	40	72.8 Å²	72.8	27%	0.27	38%	0.379	S	S	.	.			trans	-130	115.8	175	-69.1	0	0	0	0	109.9	C180 R181 S182	C173-C180 HydrophobicContact CB-CB 3.59Å; C173-C180 WeakPolarHBondContact CB-O 3.4Å; C173-C180 WeakPolarHBondContact CB-SG 3.43Å; C173-C180 VanDerWaalsContact SG-CA 3.6Å; C173-C180 WeakPolarHBondContact SG-CB 3.39Å; C173-C180 PolarHBondContact SG-O 3.33Å; C173-C180 CovalentContact SG-SG 2.04Å; C173-C180 PolarHBondContact SG-SG 2.81Å; C173-R181 PolarHBondContact SG-N 3.13Å; C173-R181 VanDerWaalsContact SG-N 3.43Å; C173-S182 PolarHBondContact SG-N 3.2Å; C173-S182 VanDerWaalsContact SG-N 3.43Å
174	G	54	Low	73.3	Confident	66 Å²	66	68.9 Å²	68.9	68%	0.68	35%	0.354	S	S	*	.			trans	-79.3	-27	179.8	0	0	0	0	0	115	K176	G174-K176 PolarHBondContact O-N 3.42Å
175	D	52.4	Low	73.4	Confident	124 Å²	124	69.4 Å²	69.4	66%	0.663	36%	0.357	S	S	*	.			trans	-89.3	98.8	-169	-75.2	-42.6	0	0	0	113.4	N177 S178	D175-N177 PolarHBondContact O-N 3.04Å; D175-S178 WeakPolarHBondContact O-CB 3.33Å; D175-S178 PolarHBondContact O-N 2.86Å; D175-S178 PolarHBondContact O-OG 3.5Å
176	K	47.7	Very low	73.6	Confident	206 Å²	206	68.3 Å²	68.3	90%	0.896	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-18.8	173.9	-64.9	-173.9	178.2	-176.3	0	114.7	G174	G174-K176 PolarHBondContact O-N 3.42Å
177	N	49.4	Very low	73.9	Confident	173 Å²	173	66.8 Å²	66.8	93%	0.925	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	3.2	178.2	-70.6	4.3	0	0	0	113.4	D175	D175-N177 PolarHBondContact O-N 3.04Å
178	S	50.2	Low	74.1	Confident	52 Å²	52	63.9 Å²	63.9	36%	0.364	32%	0.324	S	S	.	.	S	Bend	trans	-103.9	162.4	-179.1	76	0	0	0	0	112	D175 C180	D175-S178 WeakPolarHBondContact O-CB 3.33Å; D175-S178 PolarHBondContact O-N 2.86Å; D175-S178 PolarHBondContact O-OG 3.5Å; S178-C180 PolarHBondContact O-N 3.41Å; S178-C180 WeakPolarHBondContact OG-CB 3.37Å; S178-C180 PolarHBondContact OG-N 2.82Å
179	R	54.7	Low	74.3	Confident	255 Å²	255	63.9 Å²	63.9	96%	0.962	32%	0.324	S	S	*	.	S	Bend	trans	-77	7.3	167.7	-69	-177.9	176	173.2	-2.3	113.1	R181	R179-R181 PolarHBondContact O-N 2.94Å
180	C	55.3	Low	74.7	Confident	36 Å²	36	64 Å²	64	24%	0.243	32%	0.324	C	S	.	.			trans	-67.6	118.7	-178.5	-168.2	0	0	0	0	110	C173 S178	C173-C180 HydrophobicContact CB-CB 3.59Å; C173-C180 WeakPolarHBondContact CB-O 3.4Å; C173-C180 WeakPolarHBondContact CB-SG 3.43Å; C173-C180 VanDerWaalsContact SG-CA 3.6Å; C173-C180 WeakPolarHBondContact SG-CB 3.39Å; C173-C180 PolarHBondContact SG-O 3.33Å; C173-C180 CovalentContact SG-SG 2.04Å; C173-C180 PolarHBondContact SG-SG 2.81Å; S178-C180 PolarHBondContact O-N 3.41Å; S178-C180 WeakPolarHBondContact OG-CB 3.37Å; S178-C180 PolarHBondContact OG-N 2.82Å
181	R	62.2	Low	74.8	Confident	181 Å²	181	69.3 Å²	69.3	68%	0.683	35%	0.347	S	S	*	.			trans	-131.2	119.5	165.5	-65.6	179.6	178	178.8	-1.5	107.6	C173 R179 E183 Y393	C173-R181 PolarHBondContact SG-N 3.13Å; C173-R181 VanDerWaalsContact SG-N 3.43Å; R179-R181 PolarHBondContact O-N 2.94Å; R181-E183 HydrophobicContact CB-CG 3.61Å; R181-E183 WeakPolarHBondContact CD-OE1 3.49Å; R181-E183 IonicContact NH1-OE1 3.31Å; R181-E183 PolarHBondContact O-N 3.01Å; R181-Y393 PolarHBondContact O-OH 2.86Å; R181-Y393 VanDerWaalsContact O-OH 3.1Å
182	S	69.4	Low	75	Confident	15 Å²	15	75.5 Å²	75.5	11%	0.105	37%	0.371	C	S	.	.			trans	-78.6	78.6	170.1	167.3	0	0	0	0	108.5	Y170 L171 C173 M184 N185	Y170-S182 VanDerWaalsContact C-OG 3.29Å; Y170-S182 PolarHBondContact O-OG 2.83Å; L171-S182 WeakPolarHBondContact CA-OG 3.37Å; L171-S182 PolarHBondContact O-OG 3.35Å; C173-S182 PolarHBondContact SG-N 3.2Å; C173-S182 VanDerWaalsContact SG-N 3.43Å; S182-M184 PolarHBondContact O-N 2.84Å; S182-N185 PolarHBondContact O-N 2.82Å
183	E	83.8	Confident	75.8	Confident	35 Å²	35	76.6 Å²	76.6	16%	0.164	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	3.5	-171.8	-62.5	-174	153.2	0	0	113.9	R181 N185 R454 A456 H457 L480	R181-E183 HydrophobicContact CB-CG 3.61Å; R181-E183 WeakPolarHBondContact CD-OE1 3.49Å; R181-E183 IonicContact NH1-OE1 3.31Å; R181-E183 PolarHBondContact O-N 3.01Å; E183-N185 VanDerWaalsContact C-N 3.33Å; E183-R454 PolarHBondContact O-NH2 2.99Å; E183-A456 WeakPolarHBondContact OE2-CB 3.18Å; E183-H457 IonicContact OE2-CE1 3.58Å; E183-H457 IonicContact OE2-CG 3.13Å; E183-H457 PolarHBondContact OE2-N 2.8Å; E183-H457 VanDerWaalsContact OE2-N 3.14Å; E183-H457 IonicContact OE2-ND1 3.67Å; E183-H457 PolarHBondContact OE2-ND1 3.14Å; E183-L480 HydrophobicContact CB-CD2 3.79Å
184	M	93.4	Very high	77.1	Confident	0 Å²	0	76.2 Å²	76.2	0%	0	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-11.5	165.7	-72	174.8	55.9	0	0	114	S182 V186 T392 Y393 M425 I429 L480 V481 A483	S182-M184 PolarHBondContact O-N 2.84Å; M184-V186 HydrophobicContact CB-CG2 4.42Å; M184-V186 PolarHBondContact O-N 2.94Å; M184-T392 HydrophobicContact CE-CG2 3.55Å; M184-T392 HydrophobicContact SD-CG2 4.08Å; M184-Y393 HydrophobicContact CG-CD2 4Å; M184-Y393 HydrophobicContact CG-CE2 4.08Å; M184-Y393 HydrophobicContact SD-CD2 3.37Å; M184-Y393 WeakPolarHBondContact SD-CD2 3.25Å; M184-Y393 HydrophobicContact SD-CE2 4.07Å; M184-Y393 HydrophobicContact SD-CG 4.08Å; M184-M425 HydrophobicContact CE-CB 4.33Å; M184-M425 HydrophobicContact CE-SD 3.93Å; M184-I429 HydrophobicContact CE-CD1 3.61Å; M184-L480 HydrophobicContact CG-CD1 4Å; M184-L480 HydrophobicContact CG-CD2 3.96Å; M184-L480 HydrophobicContact CG-CG 3.81Å; M184-L480 HydrophobicContact SD-CD1 4.33Å; M184-V481 VanDerWaalsContact CA-O 3.31Å; M184-V481 WeakPolarHBondContact CA-O 3.48Å; M184-A483 WeakPolarHBondContact O-CB 3.5Å; M184-A483 PolarHBondContact O-N 3Å
185	N	93.3	Very high	79.2	Confident	46 Å²	46	73.7 Å²	73.7	25%	0.246	35%	0.353	C	S	.	.			trans	56.2	17.8	168.2	-73	-14.8	0	0	0	117.5	S182 E183 Q187 A188 A189 R454 D482 E484	S182-N185 PolarHBondContact O-N 2.82Å; E183-N185 VanDerWaalsContact C-N 3.33Å; N185-Q187 VanDerWaalsContact C-N 3.31Å; N185-Q187 PolarHBondContact O-N 2.84Å; N185-A188 WeakPolarHBondContact O-CB 3.33Å; N185-A188 PolarHBondContact O-N 2.91Å; N185-A189 PolarHBondContact O-N 3.1Å; N185-R454 PolarHBondContact ND2-NH2 3.43Å; N185-R454 VanDerWaalsContact ND2-NH2 3.12Å; N185-D482 VanDerWaalsContact CB-OD1 3.23Å; N185-D482 WeakPolarHBondContact CB-OD1 3.48Å; N185-D482 VanDerWaalsContact ND2-CG 3.27Å; N185-D482 PolarHBondContact ND2-OD1 3.21Å; N185-D482 PolarHBondContact ND2-OD2 3.37Å; N185-E484 HydrophobicContact CB-CB 4.02Å
186	V	95.8	Very high	81.4	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-52.9	-42.8	-177.2	176.1	0	0	0	0	112.9	L171 M184 A188 A189 W190 I267 I429 L432 A483	L171-V186 HydrophobicContact CD2-CB 4.18Å; L171-V186 HydrophobicContact CD2-CG1 4.31Å; L171-V186 HydrophobicContact CD2-CG2 4Å; M184-V186 HydrophobicContact CB-CG2 4.42Å; M184-V186 PolarHBondContact O-N 2.94Å; V186-A188 PolarHBondContact O-N 3.32Å; V186-A188 VanDerWaalsContact O-N 3.16Å; V186-A189 WeakPolarHBondContact O-CB 3.44Å; V186-A189 PolarHBondContact O-N 2.92Å; V186-A189 VanDerWaalsContact O-N 3.15Å; V186-W190 HydrophobicContact CG1-CD2 4.06Å; V186-W190 VanDerWaalsContact CG1-CE2 3.44Å; V186-W190 HydrophobicContact CG1-CH2 4.33Å; V186-W190 HydrophobicContact CG1-CZ2 3.62Å; V186-W190 PolarHBondContact O-N 2.79Å; V186-I267 HydrophobicContact CG1-CG1 4.46Å; V186-I267 HydrophobicContact CG1-CG2 4.02Å; V186-I267 HydrophobicContact CG2-CD1 4.49Å; V186-I267 HydrophobicContact CG2-CG2 4.32Å; V186-I429 HydrophobicContact CG2-CD1 4.16Å; V186-I429 HydrophobicContact CG2-CG1 4.23Å; V186-L432 HydrophobicContact CG1-CD1 4.44Å; V186-A483 HydrophobicContact CB-CB 4.5Å; V186-A483 HydrophobicContact CG2-CB 3.95Å
187	Q	92.7	Very high	83.8	Confident	53 Å²	53	63.3 Å²	63.3	25%	0.248	30%	0.302	C	S	.	.	H	α-helix	trans	-57.4	-29.5	174.8	-76.9	-167.1	-40.3	0	0	114.6	W165 H172 N185 W190 K191	W165-Q187 HydrophobicContact CH2-CG 4.4Å; H172-Q187 VanDerWaalsContact CB-CD 3.41Å; H172-Q187 HydrophobicContact CB-CG 4.14Å; N185-Q187 VanDerWaalsContact C-N 3.31Å; N185-Q187 PolarHBondContact O-N 2.84Å; Q187-W190 HydrophobicContact CG-CE3 4.14Å; Q187-W190 HydrophobicContact CG-CZ3 4.35Å; Q187-K191 VanDerWaalsContact O-CG 3.3Å; Q187-K191 WeakPolarHBondContact O-CG 3.36Å; Q187-K191 PolarHBondContact O-N 2.92Å
188	A	92.1	Very high	86	Confident	22 Å²	22	61.7 Å²	61.7	18%	0.182	29%	0.293	C	S	.	.	H	α-helix	trans	-81.5	-29.4	-179.4	0	0	0	0	0	111.9	N185 V186 R192 E484	N185-A188 WeakPolarHBondContact O-CB 3.33Å; N185-A188 PolarHBondContact O-N 2.91Å; V186-A188 PolarHBondContact O-N 3.32Å; V186-A188 VanDerWaalsContact O-N 3.16Å; A188-R192 WeakPolarHBondContact O-CG 3.17Å; A188-R192 PolarHBondContact O-N 2.97Å; A188-E484 HydrophobicContact CB-CB 3.93Å; A188-E484 VanDerWaalsContact CB-CD 3.44Å; A188-E484 HydrophobicContact CB-CG 4Å; A188-E484 VanDerWaalsContact CB-OE2 3.32Å; A188-E484 WeakPolarHBondContact CB-OE2 3.46Å
189	A	95.9	Very high	88.3	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-63.7	-44.6	164	0	0	0	0	0	111.4	N185 V186 K191 R192 G193 Y194 L432 A483 V487	N185-A189 PolarHBondContact O-N 3.1Å; V186-A189 WeakPolarHBondContact O-CB 3.44Å; V186-A189 PolarHBondContact O-N 2.92Å; V186-A189 VanDerWaalsContact O-N 3.15Å; A189-K191 PolarHBondContact O-N 2.85Å; A189-R192 WeakPolarHBondContact O-CA 3.33Å; A189-R192 WeakPolarHBondContact O-CB 3.5Å; A189-R192 PolarHBondContact O-N 3.08Å; A189-G193 PolarHBondContact O-N 2.88Å; A189-Y194 PolarHBondContact O-N 3.5Å; A189-L432 HydrophobicContact CB-CD1 3.82Å; A189-A483 HydrophobicContact CB-CB 4.29Å; A189-V487 HydrophobicContact CB-CG1 4.24Å; A189-V487 HydrophobicContact CB-CG2 3.95Å
190	W	95.9	Very high	90.4	Very high	10 Å²	10	47.8 Å²	47.8	4%	0.038	23%	0.234	C	C	.	.	H	α-helix	trans	-59.9	-41.9	174.3	-63.1	-13.7	0	0	0	112.9	L158 F160 W165 L171 V186 Q187 R192 G193 Y194 V265 G266 I267 Y269	L158-W190 HydrophobicContact CD1-CB 3.73Å; L158-W190 HydrophobicContact CD1-CE3 4.02Å; F160-W190 HydrophobicContact CD2-CZ3 4.33Å; F160-W190 AromaticContact CE2-CE3 3.72Å; F160-W190 HydrophobicContact CE2-CE3 3.72Å; F160-W190 HydrophobicContact CE2-CH2 4.35Å; F160-W190 AromaticContact CE2-CZ3 3.41Å; F160-W190 HydrophobicContact CE2-CZ3 3.41Å; F160-W190 VanDerWaalsContact CE2-CZ3 3.41Å; F160-W190 AromaticContact CZ-CE3 3.78Å; F160-W190 HydrophobicContact CZ-CE3 3.78Å; F160-W190 HydrophobicContact CZ-CH2 4.39Å; F160-W190 AromaticContact CZ-CZ3 3.68Å; F160-W190 HydrophobicContact CZ-CZ3 3.68Å; W165-W190 HydrophobicContact CH2-CH2 4.18Å; W165-W190 AromaticContact CH2-CZ3 3.6Å; W165-W190 HydrophobicContact CH2-CZ3 3.6Å; W165-W190 AromaticContact CZ3-CH2 3.9Å; W165-W190 HydrophobicContact CZ3-CH2 3.9Å; W165-W190 AromaticContact CZ3-CZ3 3.77Å; W165-W190 HydrophobicContact CZ3-CZ3 3.77Å; L171-W190 HydrophobicContact CD1-CH2 4Å; L171-W190 HydrophobicContact CD1-CZ2 4.45Å; V186-W190 HydrophobicContact CG1-CD2 4.06Å; V186-W190 VanDerWaalsContact CG1-CE2 3.44Å; V186-W190 HydrophobicContact CG1-CH2 4.33Å; V186-W190 HydrophobicContact CG1-CZ2 3.62Å; V186-W190 PolarHBondContact O-N 2.79Å; Q187-W190 HydrophobicContact CG-CE3 4.14Å; Q187-W190 HydrophobicContact CG-CZ3 4.35Å; W190-R192 PolarHBondContact O-N 3.5Å; W190-G193 PolarHBondContact O-N 2.88Å; W190-Y194 WeakPolarHBondContact CA-O 3.48Å; W190-Y194 VanDerWaalsContact CD1-O 3.31Å; W190-V265 HydrophobicContact CH2-CB 4.38Å; W190-V265 HydrophobicContact CH2-CG1 3.71Å; W190-V265 HydrophobicContact CZ2-CG1 4.14Å; W190-V265 HydrophobicContact CZ3-CG1 4.44Å; W190-G266 WeakPolarHBondContact CZ2-O 3.3Å; W190-I267 PolarHBondContact NE1-O 3.42Å; W190-Y269 HydrophobicContact CD2-CD1 4.46Å; W190-Y269 AromaticContact CD2-CE1 3.77Å; W190-Y269 HydrophobicContact CD2-CE1 3.77Å; W190-Y269 AromaticContact CE2-CD1 3.82Å; W190-Y269 AromaticContact CE2-CE1 3.57Å; W190-Y269 HydrophobicContact CE3-CE1 4.29Å; W190-Y269 HydrophobicContact CG-CE1 4.06Å; W190-Y269 HydrophobicContact CH2-CD1 4.38Å; W190-Y269 HydrophobicContact CH2-CE1 4.4Å; W190-Y269 AromaticContact CZ2-CD1 3.78Å; W190-Y269 HydrophobicContact CZ2-CD1 3.78Å; W190-Y269 AromaticContact CZ2-CE1 3.92Å; W190-Y269 HydrophobicContact CZ2-CE1 3.92Å; W190-Y269 AromaticContact NE1-CE1 3.78Å
191	K	93.4	Very high	92.5	Very high	116 Å²	116	46.1 Å²	46.1	50%	0.504	22%	0.223	S	C	.	.	H	α-helix	trans	-63.7	-18.4	174	-76.4	177.2	179.2	-167	0	113.9	Q156 L158 Q187 A189	Q156-K191 WeakPolarHBondContact O-CE 3.29Å; Q156-K191 PolarHBondContact O-NZ 2.95Å; L158-K191 HydrophobicContact CD1-CG 3.91Å; L158-K191 HydrophobicContact CG-CG 4.12Å; Q187-K191 VanDerWaalsContact O-CG 3.3Å; Q187-K191 WeakPolarHBondContact O-CG 3.36Å; Q187-K191 PolarHBondContact O-N 2.92Å; A189-K191 PolarHBondContact O-N 2.85Å
192	R	94.4	Very high	94.3	Very high	132 Å²	132	37.5 Å²	37.5	50%	0.498	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-2.3	172.4	-68.3	168.3	179.8	-87.1	1.3	113.2	A188 A189 W190 Y194 E484 V488	A188-R192 WeakPolarHBondContact O-CG 3.17Å; A188-R192 PolarHBondContact O-N 2.97Å; A189-R192 WeakPolarHBondContact O-CA 3.33Å; A189-R192 WeakPolarHBondContact O-CB 3.5Å; A189-R192 PolarHBondContact O-N 3.08Å; W190-R192 PolarHBondContact O-N 3.5Å; R192-Y194 HydrophobicContact CB-CD2 3.82Å; R192-Y194 HydrophobicContact CB-CE2 3.93Å; R192-E484 IonicContact CZ-OE1 3.56Å; R192-E484 IonicContact NE-OE1 3.13Å; R192-E484 PolarHBondContact NE-OE1 3.46Å; R192-E484 IonicContact NH2-OE1 3.25Å; R192-E484 PolarHBondContact NH2-OE1 3.26Å; R192-V488 VanDerWaalsContact CZ-CG2 3.44Å
193	G	95.8	Very high	95.7	Very high	47 Å²	47	37 Å²	37	49%	0.485	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.6	-4	177.7	0	0	0	0	0	115	A189 W190	A189-G193 PolarHBondContact O-N 2.88Å; W190-G193 PolarHBondContact O-N 2.88Å
194	Y	97.9	Very high	96.4	Very high	32 Å²	32	35.3 Å²	35.3	13%	0.125	18%	0.179	C	C	.	.			trans	-82.4	127.9	179.7	-57.4	-64.2	0	0	0	110.5	A189 W190 R192 E435 A436 V487 K491	A189-Y194 PolarHBondContact O-N 3.5Å; W190-Y194 WeakPolarHBondContact CA-O 3.48Å; W190-Y194 VanDerWaalsContact CD1-O 3.31Å; R192-Y194 HydrophobicContact CB-CD2 3.82Å; R192-Y194 HydrophobicContact CB-CE2 3.93Å; Y194-E435 HydrophobicContact CD1-CB 4.32Å; Y194-E435 HydrophobicContact CD1-CG 4.08Å; Y194-A436 HydrophobicContact CD1-CB 3.89Å; Y194-A436 VanDerWaalsContact CE1-CA 3.43Å; Y194-A436 HydrophobicContact CE1-CB 3.54Å; Y194-A436 HydrophobicContact CE2-CB 4.23Å; Y194-A436 HydrophobicContact CG-CB 4.39Å; Y194-V487 HydrophobicContact CD2-CB 3.81Å; Y194-V487 HydrophobicContact CD2-CG1 4.23Å; Y194-V487 HydrophobicContact CD2-CG2 3.7Å; Y194-V487 HydrophobicContact CE2-CB 4.16Å; Y194-V487 HydrophobicContact CE2-CG2 4.11Å; Y194-V487 HydrophobicContact CG-CB 4.35Å; Y194-V487 HydrophobicContact CG-CG1 4.33Å; Y194-K491 WeakPolarHBondContact OH-CD 3.39Å; Y194-K491 PolarHBondContact OH-NZ 2.87Å
195	T	98.3	Very high	96.6	Very high	13 Å²	13	35.4 Å²	35.4	8%	0.08	18%	0.179	C	C	.	.	S	Bend	trans	-143	5.5	-171.4	55.7	0	0	0	0	113.6	A268 Y269 N270 L432 E435	T195-A268 CarbonylContact O-C 3.51Å; T195-A268 VanDerWaalsContact O-CA 3.27Å; T195-A268 WeakPolarHBondContact O-CA 3.34Å; T195-Y269 HydrophobicContact CG2-CE1 4.11Å; T195-Y269 HydrophobicContact CG2-CE2 3.76Å; T195-Y269 VanDerWaalsContact CG2-CZ 3.46Å; T195-Y269 VanDerWaalsContact CG2-OH 3.31Å; T195-Y269 WeakPolarHBondContact CG2-OH 3.34Å; T195-Y269 PolarHBondContact O-N 3.05Å; T195-N270 VanDerWaalsContact CB-ND2 3.32Å; T195-N270 WeakPolarHBondContact CB-ND2 3.37Å; T195-N270 PolarHBondContact O-N 3.33Å; T195-N270 PolarHBondContact OG1-ND2 3.07Å; T195-L432 VanDerWaalsContact C-CD2 3.45Å; T195-E435 PolarHBondContact N-OE2 3.06Å
196	G	98.5	Very high	96.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.17	C	C	.	.			trans	92	8	-177.9	0	0	0	0	0	113.9	N198 V199 A271 L432 E435	G196-N198 PolarHBondContact O-N 3.47Å; G196-V199 WeakPolarHBondContact O-CB 3.25Å; G196-V199 PolarHBondContact O-N 2.95Å; G196-V199 VanDerWaalsContact O-N 3.17Å; G196-A271 WeakPolarHBondContact O-CA 3.3Å; G196-A271 WeakPolarHBondContact O-CB 3.49Å; G196-L432 VanDerWaalsContact N-CD2 3.3Å; G196-E435 PolarHBondContact N-OE2 2.74Å
197	K	98	Very high	96.7	Very high	112 Å²	112	33.8 Å²	33.8	49%	0.487	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	136.7	-167.2	-170.5	-175.6	171.6	-175.7	0	111.9	V199 N270 E435	K197-V199 PolarHBondContact O-N 3.4Å; K197-N270 HydrophobicContact CB-CB 4.17Å; K197-E435 HydrophobicContact CB-CG 4.41Å; K197-E435 VanDerWaalsContact CB-OE1 3.32Å; K197-E435 WeakPolarHBondContact CB-OE1 3.47Å; K197-E435 PolarHBondContact N-OE2 3.42Å
198	N	95.8	Very high	96.9	Very high	139 Å²	139	31.3 Å²	31.3	74%	0.743	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	66	6.8	-176.8	-49.8	-26.7	0	0	0	115.3	G196	G196-N198 PolarHBondContact O-N 3.47Å
199	V	98.8	Very high	97.2	Very high	5 Å²	5	30.3 Å²	30.3	3%	0.03	15%	0.151	C	C	.	.			trans	-94.7	141.5	173.3	-176.3	0	0	0	0	109.7	G196 K197 K272 D300 I301 A431 L434 E435	G196-V199 WeakPolarHBondContact O-CB 3.25Å; G196-V199 PolarHBondContact O-N 2.95Å; G196-V199 VanDerWaalsContact O-N 3.17Å; K197-V199 PolarHBondContact O-N 3.4Å; V199-K272 PolarHBondContact O-N 3.09Å; V199-D300 HydrophobicContact CG1-CB 3.88Å; V199-I301 HydrophobicContact CG1-CD1 4.24Å; V199-A431 HydrophobicContact CB-CB 4.16Å; V199-A431 HydrophobicContact CG1-CB 3.84Å; V199-A431 WeakPolarHBondContact CG2-O 3.41Å; V199-L434 HydrophobicContact CG1-CB 4.2Å; V199-L434 HydrophobicContact CG1-CD1 3.94Å; V199-L434 HydrophobicContact CG2-CB 3.72Å; V199-E435 HydrophobicContact CG2-CB 4.44Å
200	V	98.8	Very high	97	Very high	10 Å²	10	35 Å²	35	6%	0.061	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	118.2	-179.7	-175.2	0	0	0	0	110.6	A223 K272 Y298 I299 D300 I301	V200-A223 HydrophobicContact CG1-CB 3.6Å; V200-K272 HydrophobicContact CG2-CB 4.3Å; V200-Y298 HydrophobicContact CB-CE1 4.47Å; V200-Y298 WeakPolarHBondContact CB-O 3.36Å; V200-Y298 HydrophobicContact CG1-CD1 3.99Å; V200-Y298 HydrophobicContact CG1-CE1 3.8Å; V200-Y298 HydrophobicContact CG2-CD1 4.37Å; V200-Y298 HydrophobicContact CG2-CE1 3.93Å; V200-I299 HydrophobicContact CG1-CB 4.44Å; V200-I299 HydrophobicContact CG1-CG1 4.17Å; V200-D300 PolarHBondContact N-OD2 2.97Å; V200-D300 WeakPolarHBondContact O-CB 3.48Å; V200-D300 PolarHBondContact O-N 2.81Å; V200-I301 PolarHBondContact O-N 3.28Å; V200-I301 VanDerWaalsContact O-N 3.13Å
201	V	98.9	Very high	96.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	144.3	175.8	-170.4	0	0	0	0	109.7	V254 K272 I273 G274 I301 A427 A431	V201-V254 HydrophobicContact CB-CG1 4.04Å; V201-V254 HydrophobicContact CG1-CG1 3.99Å; V201-V254 HydrophobicContact CG1-CG2 4.47Å; V201-V254 HydrophobicContact CG2-CG1 3.94Å; V201-K272 PolarHBondContact N-O 2.71Å; V201-I273 HydrophobicContact CB-CD1 3.99Å; V201-I273 HydrophobicContact CG1-CD1 4.15Å; V201-I273 CarbonylContact O-C 3.57Å; V201-I273 WeakPolarHBondContact O-CA 3.44Å; V201-G274 PolarHBondContact O-N 2.86Å; V201-I301 CarbonylContact C-O 3.43Å; V201-I301 WeakPolarHBondContact CA-O 3.38Å; V201-I301 HydrophobicContact CG1-CB 4.15Å; V201-I301 HydrophobicContact CG1-CG2 4.34Å; V201-I301 HydrophobicContact CG2-CB 4.2Å; V201-I301 HydrophobicContact CG2-CD1 4.18Å; V201-A427 HydrophobicContact CG1-CB 4.3Å; V201-A431 HydrophobicContact CG2-CB 4.2Å
202	T	98.8	Very high	97	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	148.5	169	-159.8	0	0	0	0	111.6	L204 A223 G274 I276 I299 I301 Y302 S303	T202-L204 HydrophobicContact CG2-CD2 4.09Å; T202-A223 PolarHBondContact OG1-O 2.83Å; T202-G274 WeakPolarHBondContact CA-O 3.31Å; T202-I276 HydrophobicContact CG2-CD1 3.95Å; T202-I299 HydrophobicContact CG2-CD1 3.95Å; T202-I299 HydrophobicContact CG2-CG2 3.71Å; T202-I301 PolarHBondContact N-O 2.63Å; T202-Y302 HydrophobicContact CG2-CD1 3.41Å; T202-Y302 VanDerWaalsContact CG2-CD1 3.41Å; T202-Y302 HydrophobicContact CG2-CE1 3.87Å; T202-Y302 HydrophobicContact CG2-CG 3.99Å; T202-S303 PolarHBondContact O-N 3.16Å
203	I	98.9	Very high	97.1	Very high	5 Å²	5	28.7 Å²	28.7	3%	0.026	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	115.6	177.2	-55	-56.4	0	0	0	108.6	D205 C250 A251 V254 I273 G274 G275 I276	I203-D205 HydrophobicContact CG2-CB 3.72Å; I203-C250 HydrophobicContact CD1-CB 4.23Å; I203-C250 HydrophobicContact CG2-CB 3.92Å; I203-A251 HydrophobicContact CG1-CB 4.07Å; I203-V254 HydrophobicContact CD1-CG2 4.11Å; I203-I273 HydrophobicContact CD1-CD1 4.12Å; I203-I273 HydrophobicContact CG1-CD1 3.95Å; I203-G274 PolarHBondContact N-O 3.1Å; I203-G274 VanDerWaalsContact N-O 3.08Å; I203-G275 CarbonylContact O-C 3.55Å; I203-G275 WeakPolarHBondContact O-CA 3.33Å; I203-I276 PolarHBondContact O-N 2.86Å
204	L	98.3	Very high	97.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	96.8	177.6	-58.7	-172.6	0	0	0	109.3	T202 I276 L292 Y302 S303 A304 W306	T202-L204 HydrophobicContact CG2-CD2 4.09Å; L204-I276 HydrophobicContact CD2-CB 3.66Å; L204-I276 HydrophobicContact CD2-CD1 3.54Å; L204-I276 HydrophobicContact CD2-CG1 4.11Å; L204-I276 HydrophobicContact CD2-CG2 4.06Å; L204-L292 HydrophobicContact CD1-CD2 3.9Å; L204-Y302 HydrophobicContact CD1-CD1 4.21Å; L204-Y302 HydrophobicContact CD2-CD1 4.08Å; L204-Y302 HydrophobicContact CG-CD1 4.34Å; L204-S303 PolarHBondContact N-O 3.17Å; L204-A304 HydrophobicContact CB-CB 4.14Å; L204-A304 HydrophobicContact CD1-CB 4.41Å; L204-W306 HydrophobicContact CB-CZ2 4.47Å; L204-W306 HydrophobicContact CD1-CZ2 4.36Å; L204-W306 PolarHBondContact O-NE1 3.12Å
205	D	98.3	Very high	97.2	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.011	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	-153.7	-163.2	-148.6	-81.5	0	0	0	113.8	I203 G207 H246 G247 I276 R277 M278 L279	I203-D205 HydrophobicContact CG2-CB 3.72Å; D205-G207 VanDerWaalsContact C-N 3.31Å; D205-G207 PolarHBondContact O-N 3.46Å; D205-H246 VanDerWaalsContact CG-ND1 3.26Å; D205-H246 WeakPolarHBondContact OD1-CB 3.49Å; D205-H246 IonicContact OD1-CG 2.79Å; D205-H246 IonicContact OD1-ND1 3.77Å; D205-H246 PolarHBondContact OD1-ND1 2.68Å; D205-H246 IonicContact OD2-CE1 2.7Å; D205-H246 PolarHBondContact OD2-CE1 3.38Å; D205-H246 IonicContact OD2-CG 3.6Å; D205-H246 IonicContact OD2-ND1 2.85Å; D205-H246 PolarHBondContact OD2-ND1 2.84Å; D205-G247 PolarHBondContact OD1-N 2.97Å; D205-I276 PolarHBondContact N-O 3.18Å; D205-R277 WeakPolarHBondContact O-CA 3.28Å; D205-M278 PolarHBondContact O-N 2.99Å; D205-L279 PolarHBondContact O-N 2.89Å; D205-L279 VanDerWaalsContact O-N 3.15Å
206	D	96.1	Very high	97.2	Very high	10 Å²	10	26.6 Å²	26.6	5%	0.053	14%	0.14	C	C	.	.	S	Bend	trans	-76.3	-9.8	178.5	67.7	15.5	0	0	0	115.3	N244 K245 H246 G247 R277 L279	D206-N244 HydrophobicContact CB-CB 4.15Å; D206-N244 WeakPolarHBondContact OD2-CA 3.44Å; D206-K245 PolarHBondContact OD2-N 3.13Å; D206-H246 PolarHBondContact OD1-N 3.42Å; D206-H246 WeakPolarHBondContact OD2-CA 3.31Å; D206-H246 WeakPolarHBondContact OD2-CB 3.47Å; D206-H246 PolarHBondContact OD2-N 3.12Å; D206-G247 PolarHBondContact OD1-N 3.01Å; D206-R277 VanDerWaalsContact O-CD 3.3Å; D206-R277 WeakPolarHBondContact O-CD 3.33Å; D206-R277 WeakPolarHBondContact O-CG 3.26Å; D206-L279 HydrophobicContact CB-CB 4.46Å
207	G	95.4	Very high	97.1	Very high	2 Å²	2	30.1 Å²	30.1	2%	0.021	16%	0.162	C	C	.	.			trans	131.1	173.5	175.7	0	0	0	0	0	114	D205 P234 G247 T248	D205-G207 VanDerWaalsContact C-N 3.31Å; D205-G207 PolarHBondContact O-N 3.46Å; G207-P234 CarbonylContact C-O 3.5Å; G207-P234 VanDerWaalsContact CA-O 3.23Å; G207-P234 WeakPolarHBondContact CA-O 3.48Å; G207-G247 CarbonylContact O-C 3.46Å; G207-G247 VanDerWaalsContact O-C 3.26Å; G207-G247 WeakPolarHBondContact O-CA 3.49Å; G207-T248 PolarHBondContact O-N 3.02Å; G207-T248 VanDerWaalsContact O-N 3.12Å; G207-T248 PolarHBondContact O-OG1 3.44Å
208	I	97.7	Very high	97.1	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.143	C	C	.	.			trans	-127.2	126	177.5	-171.2	174.3	0	0	0	110.6	R210 L215 Y219 P234 P236 A251 I273	I208-R210 PolarHBondContact O-N 2.82Å; I208-L215 HydrophobicContact CD1-CD1 4.2Å; I208-L215 HydrophobicContact CG1-CD1 3.91Å; I208-Y219 HydrophobicContact CD1-CD2 4.35Å; I208-Y219 HydrophobicContact CG2-CD2 4.45Å; I208-Y219 HydrophobicContact CG2-CE2 3.96Å; I208-P234 HydrophobicContact CG2-CB 3.92Å; I208-P234 HydrophobicContact CG2-CG 3.41Å; I208-P234 VanDerWaalsContact CG2-CG 3.41Å; I208-P234 PolarHBondContact N-O 3.41Å; I208-P236 VanDerWaalsContact C-CD 3.43Å; I208-P236 WeakPolarHBondContact O-CD 3.16Å; I208-A251 HydrophobicContact CD1-CB 3.53Å; I208-A251 HydrophobicContact CG1-CB 3.94Å; I208-I273 HydrophobicContact CD1-CG1 4.13Å; I208-I273 HydrophobicContact CD1-CG2 4.46Å
209	E	97.7	Very high	97.2	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.005	12%	0.115	C	C	.	.			trans	-70	80.9	171.3	-171.6	177.3	-79	0	0	109.8	N211 H212 P236 Y238 T248 R409 Q410	E209-N211 VanDerWaalsContact CG-OD1 3.28Å; E209-N211 WeakPolarHBondContact CG-OD1 3.27Å; E209-N211 PolarHBondContact O-N 2.74Å; E209-H212 HydrophobicContact CB-CB 4.12Å; E209-H212 HydrophobicContact CG-CB 4.01Å; E209-H212 WeakPolarHBondContact O-CB 3.25Å; E209-H212 PolarHBondContact O-N 3.1Å; E209-H212 WeakPolarHBondContact OE2-CB 3.43Å; E209-H212 IonicContact OE2-CD2 3.93Å; E209-H212 PolarHBondContact OE2-CD2 2.77Å; E209-H212 VanDerWaalsContact OE2-CD2 3.3Å; E209-H212 IonicContact OE2-CG 3.89Å; E209-P236 HydrophobicContact CB-CG 4.44Å; E209-Y238 WeakPolarHBondContact OE1-CE1 3.49Å; E209-Y238 PolarHBondContact OE1-OH 3.06Å; E209-T248 HydrophobicContact CB-CG2 3.68Å; E209-T248 PolarHBondContact N-OG1 3.23Å; E209-R409 VanDerWaalsContact OE1-CA 3.31Å; E209-R409 WeakPolarHBondContact OE1-CA 3.26Å; E209-R409 PolarHBondContact OE1-N 2.85Å; E209-Q410 WeakPolarHBondContact OE2-CA 3.11Å; E209-Q410 WeakPolarHBondContact OE2-CG 3.27Å; E209-Q410 PolarHBondContact OE2-N 2.84Å
210	R	91.2	Very high	97.2	Very high	100 Å²	100	21.3 Å²	21.3	38%	0.377	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-16.9	-174.6	63.7	175.9	-179.4	86.5	-3	115.3	I208 Y219 D233	I208-R210 PolarHBondContact O-N 2.82Å; R210-Y219 HydrophobicContact CB-CD1 3.83Å; R210-Y219 HydrophobicContact CB-CD2 3.58Å; R210-Y219 HydrophobicContact CB-CE1 3.69Å; R210-Y219 HydrophobicContact CB-CE2 3.43Å; R210-Y219 VanDerWaalsContact CB-CE2 3.43Å; R210-Y219 HydrophobicContact CB-CG 3.78Å; R210-Y219 VanDerWaalsContact CB-CZ 3.48Å; R210-Y219 HydrophobicContact CG-CE1 4.4Å; R210-D233 WeakPolarHBondContact CD-OD1 3.15Å; R210-D233 IonicContact CZ-OD1 2.79Å; R210-D233 IonicContact CZ-OD2 3.76Å; R210-D233 VanDerWaalsContact CZ-OD2 3.29Å; R210-D233 IonicContact NE-OD1 3.78Å; R210-D233 PolarHBondContact NE-OD1 2.71Å; R210-D233 IonicContact NE-OD2 3.35Å; R210-D233 PolarHBondContact NE-OD2 2.65Å; R210-D233 VanDerWaalsContact NE-OD2 3.11Å; R210-D233 IonicContact NH2-OD1 3.3Å; R210-D233 IonicContact NH2-OD2 3.31Å; R210-D233 PolarHBondContact NH2-OD2 2.72Å
211	N	92.5	Very high	97	Very high	77 Å²	77	24.4 Å²	24.4	41%	0.412	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104	7.4	175.9	67.5	-35	0	0	0	113.2	E209 Q410	E209-N211 VanDerWaalsContact CG-OD1 3.28Å; E209-N211 WeakPolarHBondContact CG-OD1 3.27Å; E209-N211 PolarHBondContact O-N 2.74Å; N211-Q410 PolarHBondContact ND2-NE2 3.2Å; N211-Q410 PolarHBondContact O-NE2 2.91Å; N211-Q410 VanDerWaalsContact O-NE2 3.12Å
212	H	97.7	Very high	96.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.164	C	C	.	.			trans	-57.9	128.2	170.4	-173.6	-85.5	0	0	0	108.9	E209 D214 L215 A216 Y262 T406 D407 R411	E209-H212 HydrophobicContact CB-CB 4.12Å; E209-H212 HydrophobicContact CG-CB 4.01Å; E209-H212 WeakPolarHBondContact O-CB 3.25Å; E209-H212 PolarHBondContact O-N 3.1Å; E209-H212 WeakPolarHBondContact OE2-CB 3.43Å; E209-H212 IonicContact OE2-CD2 3.93Å; E209-H212 PolarHBondContact OE2-CD2 2.77Å; E209-H212 VanDerWaalsContact OE2-CD2 3.3Å; E209-H212 IonicContact OE2-CG 3.89Å; H212-D214 VanDerWaalsContact CE1-CB 3.48Å; H212-D214 WeakPolarHBondContact CE1-CB 3.31Å; H212-D214 VanDerWaalsContact ND1-CB 3.32Å; H212-D214 WeakPolarHBondContact ND1-CB 3.39Å; H212-D214 PolarHBondContact ND1-N 3.47Å; H212-D214 PolarHBondContact O-N 3.11Å; H212-L215 HydrophobicContact CB-CB 4.11Å; H212-L215 HydrophobicContact CB-CD1 3.99Å; H212-L215 HydrophobicContact CB-CG 4.01Å; H212-L215 PolarHBondContact O-N 3.46Å; H212-A216 WeakPolarHBondContact O-CB 3.49Å; H212-A216 PolarHBondContact O-N 2.94Å; H212-Y262 AromaticContact CE1-CE1 3.66Å; H212-T406 VanDerWaalsContact CE1-CB 3.45Å; H212-T406 WeakPolarHBondContact CE1-CB 3.03Å; H212-T406 WeakPolarHBondContact CE1-CG2 3.42Å; H212-D407 PolarHBondContact CD2-O 2.82Å; H212-R411 PolarHBondContact NE2-N 3.13Å; H212-R411 PolarHBondContact NE2-O 3.43Å
213	P	95.8	Very high	96.4	Very high	47 Å²	47	30.5 Å²	30.5	31%	0.305	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-29.2	-171.3	-28.2	35.4	0	0	0	114.2	Y262 Q410	P213-Y262 HydrophobicContact CB-CD1 3.98Å; P213-Y262 HydrophobicContact CB-CD2 4.31Å; P213-Y262 HydrophobicContact CB-CE1 3.91Å; P213-Y262 HydrophobicContact CB-CE2 4.23Å; P213-Y262 HydrophobicContact CB-CG 4.18Å; P213-Y262 HydrophobicContact CG-CE1 4.04Å; P213-Y262 HydrophobicContact CG-CE2 4.07Å; P213-Q410 HydrophobicContact CG-CB 4.31Å; P213-Q410 HydrophobicContact CG-CG 4.46Å
214	D	97.6	Very high	96.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-20.3	179.8	-150.2	7.1	0	0	0	114.5	H212 A256 S257 N260 Y262 C263 I264 T406	H212-D214 VanDerWaalsContact CE1-CB 3.48Å; H212-D214 WeakPolarHBondContact CE1-CB 3.31Å; H212-D214 VanDerWaalsContact ND1-CB 3.32Å; H212-D214 WeakPolarHBondContact ND1-CB 3.39Å; H212-D214 PolarHBondContact ND1-N 3.47Å; H212-D214 PolarHBondContact O-N 3.11Å; D214-A256 VanDerWaalsContact OD2-CB 3.23Å; D214-A256 WeakPolarHBondContact OD2-CB 3.49Å; D214-S257 VanDerWaalsContact O-CB 3.29Å; D214-S257 WeakPolarHBondContact O-CB 3.4Å; D214-S257 PolarHBondContact O-N 3.46Å; D214-S257 PolarHBondContact O-OG 3.39Å; D214-S257 PolarHBondContact OD1-N 2.83Å; D214-N260 PolarHBondContact OD1-ND2 2.92Å; D214-Y262 HydrophobicContact CB-CD1 3.96Å; D214-Y262 HydrophobicContact CB-CE1 4.33Å; D214-C263 HydrophobicContact CB-CB 4.42Å; D214-C263 VanDerWaalsContact OD2-CB 3.28Å; D214-C263 WeakPolarHBondContact OD2-CB 3.41Å; D214-I264 PolarHBondContact OD2-N 3.14Å; D214-T406 HydrophobicContact CB-CG2 3.73Å; D214-T406 WeakPolarHBondContact OD2-CG2 3.09Å
215	L	98.5	Very high	95.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-34.9	-179.4	-57.6	179.4	0	0	0	111.6	I208 H212 P217 N218 Y219 T248 A251 T406	I208-L215 HydrophobicContact CD1-CD1 4.2Å; I208-L215 HydrophobicContact CG1-CD1 3.91Å; H212-L215 HydrophobicContact CB-CB 4.11Å; H212-L215 HydrophobicContact CB-CD1 3.99Å; H212-L215 HydrophobicContact CB-CG 4.01Å; H212-L215 PolarHBondContact O-N 3.46Å; L215-P217 VanDerWaalsContact C-N 3.35Å; L215-P217 VanDerWaalsContact O-N 3.14Å; L215-N218 CarbonylContact O-C 3.5Å; L215-N218 PolarHBondContact O-N 2.87Å; L215-Y219 PolarHBondContact O-N 2.72Å; L215-T248 HydrophobicContact CD1-CG2 4.32Å; L215-A251 HydrophobicContact CD1-CB 3.96Å; L215-A251 HydrophobicContact CD2-CB 4.15Å; L215-T406 HydrophobicContact CD2-CG2 4.15Å; L215-T406 HydrophobicContact CG-CG2 4.35Å
216	A	97.4	Very high	95.7	Very high	49 Å²	49	31.8 Å²	31.8	41%	0.405	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-33.2	-172.8	0	0	0	0	0	116.4	H212	H212-A216 WeakPolarHBondContact O-CB 3.49Å; H212-A216 PolarHBondContact O-N 2.94Å
217	P	96.3	Very high	95.1	Very high	73 Å²	73	32 Å²	32	47%	0.474	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-34.4	173.4	-21.2	34.2	0	0	0	113.7	L215 S257 K272	L215-P217 VanDerWaalsContact C-N 3.35Å; L215-P217 VanDerWaalsContact O-N 3.14Å; P217-S257 WeakPolarHBondContact CD-OG 3.49Å; P217-S257 WeakPolarHBondContact CG-OG 3.34Å; P217-K272 PolarHBondContact O-NZ 3.11Å
218	N	98.6	Very high	94.3	Very high	16 Å²	16	34 Å²	34	9%	0.086	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-15.7	-178.1	-73.6	-18.4	0	0	0	113.1	L215 A255 S257 Y269 A271 K272 I273	L215-N218 CarbonylContact O-C 3.5Å; L215-N218 PolarHBondContact O-N 2.87Å; N218-A255 HydrophobicContact CB-CB 4.45Å; N218-A255 PolarHBondContact ND2-O 2.87Å; N218-S257 PolarHBondContact ND2-OG 3.24Å; N218-Y269 PolarHBondContact ND2-O 3.03Å; N218-A271 WeakPolarHBondContact CB-O 3.37Å; N218-K272 WeakPolarHBondContact O-CA 3.16Å; N218-K272 WeakPolarHBondContact O-CD 3.33Å; N218-I273 HydrophobicContact CB-CG2 4.02Å; N218-I273 PolarHBondContact O-N 2.89Å
219	Y	98.4	Very high	93.3	Very high	39 Å²	39	36.1 Å²	36.1	15%	0.153	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-55.2	143.3	179.9	176.1	-104.1	0	0	0	112.3	I208 R210 L215 S224 P234 I273	I208-Y219 HydrophobicContact CD1-CD2 4.35Å; I208-Y219 HydrophobicContact CG2-CD2 4.45Å; I208-Y219 HydrophobicContact CG2-CE2 3.96Å; R210-Y219 HydrophobicContact CB-CD1 3.83Å; R210-Y219 HydrophobicContact CB-CD2 3.58Å; R210-Y219 HydrophobicContact CB-CE1 3.69Å; R210-Y219 HydrophobicContact CB-CE2 3.43Å; R210-Y219 VanDerWaalsContact CB-CE2 3.43Å; R210-Y219 HydrophobicContact CB-CG 3.78Å; R210-Y219 VanDerWaalsContact CB-CZ 3.48Å; R210-Y219 HydrophobicContact CG-CE1 4.4Å; L215-Y219 PolarHBondContact O-N 2.72Å; Y219-S224 VanDerWaalsContact CE2-OG 3.31Å; Y219-S224 WeakPolarHBondContact CE2-OG 3.25Å; Y219-S224 WeakPolarHBondContact OH-CB 3.43Å; Y219-S224 PolarHBondContact OH-OG 2.89Å; Y219-P234 HydrophobicContact CE2-CG 4.2Å; Y219-P234 WeakPolarHBondContact OH-CD 3.36Å; Y219-I273 CarbonylContact C-O 3.56Å; Y219-I273 WeakPolarHBondContact CA-O 3.31Å
220	D	97.8	Very high	92.4	Very high	16 Å²	16	41.1 Å²	41.1	9%	0.086	23%	0.229	C	C	.	.			trans	-138.4	113.3	-178.2	-174.1	-12.4	0	0	0	111.2	Y222 A223 S224 K272 I273 Y298	D220-Y222 VanDerWaalsContact C-N 3.3Å; D220-Y222 PolarHBondContact O-N 3.47Å; D220-Y222 WeakPolarHBondContact OD1-CA 3.39Å; D220-Y222 WeakPolarHBondContact OD1-CB 3.43Å; D220-Y222 PolarHBondContact OD1-N 3.24Å; D220-A223 HydrophobicContact CB-CB 3.83Å; D220-A223 PolarHBondContact O-N 2.96Å; D220-A223 PolarHBondContact OD1-N 2.89Å; D220-S224 WeakPolarHBondContact O-CB 3.46Å; D220-S224 PolarHBondContact O-N 2.89Å; D220-S224 PolarHBondContact O-OG 3.07Å; D220-K272 HydrophobicContact CB-CB 4.03Å; D220-K272 HydrophobicContact CB-CD 4.42Å; D220-I273 PolarHBondContact N-O 2.94Å; D220-Y298 WeakPolarHBondContact OD2-CE1 3.35Å; D220-Y298 PolarHBondContact OD2-OH 3.41Å
221	S	94.4	Very high	91.9	Very high	76 Å²	76	39.8 Å²	39.8	53%	0.531	23%	0.229	S	C	.	.	S	Bend	trans	-72.2	-21	176.3	53.3	0	0	0	0	113.4	S224 R295	S221-S224 PolarHBondContact O-N 3.49Å; S221-S224 VanDerWaalsContact O-O 3.12Å; S221-R295 PolarHBondContact O-NH1 3.02Å
222	Y	91.3	Very high	91.4	Very high	128 Å²	128	43.9 Å²	43.9	50%	0.502	24%	0.24	S	C	.	.	S	Bend	trans	-86.3	-10.9	173.1	-155.4	-111.6	0	0	0	112.5	D220 R295 Y298	D220-Y222 VanDerWaalsContact C-N 3.3Å; D220-Y222 PolarHBondContact O-N 3.47Å; D220-Y222 WeakPolarHBondContact OD1-CA 3.39Å; D220-Y222 WeakPolarHBondContact OD1-CB 3.43Å; D220-Y222 PolarHBondContact OD1-N 3.24Å; Y222-R295 WeakPolarHBondContact O-CD 3.35Å; Y222-R295 PolarHBondContact O-NE 3.36Å; Y222-R295 PolarHBondContact O-NH1 2.9Å; Y222-Y298 AromaticContact CD1-CD1 3.45Å; Y222-Y298 HydrophobicContact CD1-CD1 3.45Å; Y222-Y298 VanDerWaalsContact CD1-CD1 3.45Å; Y222-Y298 AromaticContact CD1-CD2 3.76Å; Y222-Y298 HydrophobicContact CD1-CD2 3.76Å; Y222-Y298 AromaticContact CD1-CE1 3.63Å; Y222-Y298 HydrophobicContact CD1-CE1 3.63Å; Y222-Y298 AromaticContact CD1-CE2 3.93Å; Y222-Y298 HydrophobicContact CD1-CE2 3.93Å; Y222-Y298 AromaticContact CD1-CG 3.51Å; Y222-Y298 HydrophobicContact CD1-CG 3.51Å; Y222-Y298 AromaticContact CD1-CZ 3.86Å; Y222-Y298 HydrophobicContact CE1-CD1 4.13Å; Y222-Y298 AromaticContact CE1-CD2 3.98Å; Y222-Y298 HydrophobicContact CE1-CD2 3.98Å; Y222-Y298 AromaticContact CE1-CG 3.75Å; Y222-Y298 HydrophobicContact CE1-CG 3.75Å; Y222-Y298 HydrophobicContact CG-CD1 4.36Å; Y222-Y298 HydrophobicContact CG-CE1 4.28Å
223	A	95.2	Very high	90.9	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.253	C	S	.	.	S	Bend	trans	-86.5	-5	160.5	0	0	0	0	0	113.8	V200 T202 D220 I299	V200-A223 HydrophobicContact CG1-CB 3.6Å; T202-A223 PolarHBondContact OG1-O 2.83Å; D220-A223 HydrophobicContact CB-CB 3.83Å; D220-A223 PolarHBondContact O-N 2.96Å; D220-A223 PolarHBondContact OD1-N 2.89Å; A223-I299 HydrophobicContact CB-CG1 4.44Å
224	S	96.4	Very high	90.9	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.238	C	C	.	.			trans	-122.2	155.5	-165.5	-59.3	0	0	0	0	116.5	Y219 D220 S221 G274 G275 R295	Y219-S224 VanDerWaalsContact CE2-OG 3.31Å; Y219-S224 WeakPolarHBondContact CE2-OG 3.25Å; Y219-S224 WeakPolarHBondContact OH-CB 3.43Å; Y219-S224 PolarHBondContact OH-OG 2.89Å; D220-S224 WeakPolarHBondContact O-CB 3.46Å; D220-S224 PolarHBondContact O-N 2.89Å; D220-S224 PolarHBondContact O-OG 3.07Å; S221-S224 PolarHBondContact O-N 3.49Å; S221-S224 VanDerWaalsContact O-O 3.12Å; S224-G274 WeakPolarHBondContact OG-CA 3.36Å; S224-G275 WeakPolarHBondContact CA-O 3.3Å; S224-G275 VanDerWaalsContact CB-O 3.28Å; S224-G275 WeakPolarHBondContact CB-O 3.46Å; S224-G275 PolarHBondContact OG-N 3.01Å; S224-R295 PolarHBondContact O-NH1 3.29Å; S224-R295 PolarHBondContact O-NH2 3.43Å
225	Y	90.4	Very high	90.6	Very high	30 Å²	30	45.1 Å²	45.1	12%	0.118	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.3	154.8	177.1	-168.1	-97	0	0	0	111.2	V227 N230 D231 Y232 G275 I276 R277 K290 I294	Y225-V227 HydrophobicContact CD1-CG2 3.69Å; Y225-V227 HydrophobicContact CE1-CG2 4.08Å; Y225-N230 PolarHBondContact OH-O 3.18Å; Y225-N230 PolarHBondContact OH-OD1 2.99Å; Y225-D231 WeakPolarHBondContact CD2-O 3.26Å; Y225-D231 WeakPolarHBondContact CE2-O 3.43Å; Y225-Y232 AromaticContact CD2-CD1 3.69Å; Y225-Y232 HydrophobicContact CD2-CD1 3.69Å; Y225-Y232 AromaticContact CD2-CE1 3.84Å; Y225-Y232 HydrophobicContact CD2-CE1 3.84Å; Y225-Y232 AromaticContact CE2-CD1 3.96Å; Y225-Y232 HydrophobicContact CE2-CD1 3.96Å; Y225-Y232 AromaticContact CE2-CE1 3.82Å; Y225-Y232 HydrophobicContact CE2-CE1 3.82Å; Y225-G275 PolarHBondContact N-O 3.09Å; Y225-G275 VanDerWaalsContact N-O 3.12Å; Y225-I276 VanDerWaalsContact O-CA 3.29Å; Y225-I276 WeakPolarHBondContact O-CA 3.47Å; Y225-R277 PolarHBondContact O-N 3.38Å; Y225-K290 VanDerWaalsContact CE1-NZ 3.28Å; Y225-K290 PolarHBondContact OH-NZ 2.92Å; Y225-I294 HydrophobicContact CD1-CD1 3.79Å; Y225-I294 HydrophobicContact CG-CD1 3.92Å
226	D	93.8	Very high	90.4	Very high	3 Å²	3	45.3 Å²	45.3	2%	0.016	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	113	166.4	-172	-12.7	0	0	0	110	N228 G229 N230 D231 R277	D226-N228 WeakPolarHBondContact OD1-CA 3.43Å; D226-N228 PolarHBondContact OD1-N 2.81Å; D226-G229 VanDerWaalsContact CG-N 3.25Å; D226-G229 PolarHBondContact OD1-N 3.46Å; D226-G229 PolarHBondContact OD2-N 2.94Å; D226-N230 CarbonylContact O-C 3.57Å; D226-N230 WeakPolarHBondContact O-CA 3.46Å; D226-N230 PolarHBondContact O-N 2.82Å; D226-D231 PolarHBondContact N-O 3.2Å; D226-D231 PolarHBondContact O-N 3.24Å; D226-D231 VanDerWaalsContact O-N 3.07Å; D226-R277 HydrophobicContact CB-CB 4.37Å; D226-R277 IonicContact OD2-CZ 2.71Å; D226-R277 VanDerWaalsContact OD2-CZ 3.27Å; D226-R277 IonicContact OD2-NE 2.67Å; D226-R277 IonicContact OD2-NH1 3.72Å; D226-R277 PolarHBondContact OD2-NH1 3.48Å; D226-R277 IonicContact OD2-NH2 3.26Å
227	V	82.4	Confident	90	Very high	14 Å²	14	48 Å²	48	9%	0.085	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-31.9	177.7	-178.3	0	0	0	0	111.8	Y225 I276 R277 M278 V287 K290 I294	Y225-V227 HydrophobicContact CD1-CG2 3.69Å; Y225-V227 HydrophobicContact CE1-CG2 4.08Å; V227-I276 HydrophobicContact CG2-CG2 3.81Å; V227-R277 WeakPolarHBondContact CB-O 3.41Å; V227-R277 PolarHBondContact N-O 3.14Å; V227-M278 HydrophobicContact CB-CB 4.14Å; V227-M278 HydrophobicContact CG2-CB 4.45Å; V227-V287 HydrophobicContact CG1-CB 4.17Å; V227-V287 HydrophobicContact CG1-CG1 3.8Å; V227-V287 HydrophobicContact CG1-CG2 4.09Å; V227-K290 HydrophobicContact CG1-CD 4.08Å; V227-K290 HydrophobicContact CG2-CD 4.49Å; V227-K290 HydrophobicContact CG2-CG 4.43Å; V227-I294 HydrophobicContact CG2-CD1 4.06Å
228	N	79.3	Confident	89.4	Confident	46 Å²	46	49 Å²	49	25%	0.246	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-44.3	177.3	-53.7	117	0	0	0	110.9	D226 R277 M278 D280	D226-N228 WeakPolarHBondContact OD1-CA 3.43Å; D226-N228 PolarHBondContact OD1-N 2.81Å; N228-R277 PolarHBondContact OD1-O 3.47Å; N228-M278 PolarHBondContact ND2-O 2.77Å; N228-M278 WeakPolarHBondContact OD1-CA 3.48Å; N228-M278 PolarHBondContact OD1-N 3.48Å; N228-M278 PolarHBondContact OD1-O 2.65Å; N228-D280 PolarHBondContact OD1-N 3.45Å
229	G	75.9	Confident	88.5	Confident	43 Å²	43	49.4 Å²	49.4	44%	0.443	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-19.8	173.6	0	0	0	0	0	114.8	D226	D226-G229 VanDerWaalsContact CG-N 3.25Å; D226-G229 PolarHBondContact OD1-N 3.46Å; D226-G229 PolarHBondContact OD2-N 2.94Å
230	N	79.4	Confident	87.4	Confident	106 Å²	106	52.4 Å²	52.4	57%	0.567	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.4	38.7	-175.4	-172.2	73.6	0	0	0	113.9	Y225 D226 K290	Y225-N230 PolarHBondContact OH-O 3.18Å; Y225-N230 PolarHBondContact OH-OD1 2.99Å; D226-N230 CarbonylContact O-C 3.57Å; D226-N230 WeakPolarHBondContact O-CA 3.46Å; D226-N230 PolarHBondContact O-N 2.82Å; N230-K290 PolarHBondContact OD1-NZ 3.29Å
231	D	81.5	Confident	86.3	Confident	72 Å²	72	54.8 Å²	54.8	39%	0.385	30%	0.295	S	S	.	.	B	Isolated β-bridge	trans	-135.4	-163.4	178	76.9	74.7	0	0	0	113.1	Y225 D226 D233	Y225-D231 WeakPolarHBondContact CD2-O 3.26Å; Y225-D231 WeakPolarHBondContact CE2-O 3.43Å; D226-D231 PolarHBondContact N-O 3.2Å; D226-D231 PolarHBondContact O-N 3.24Å; D226-D231 VanDerWaalsContact O-N 3.07Å; D231-D233 PolarHBondContact OD1-N 3Å
232	Y	81.2	Confident	85.9	Confident	164 Å²	164	53.4 Å²	53.4	64%	0.643	28%	0.281	S	S	*	.	S	Bend	trans	-105.6	0.6	-172	-65.5	-68.7	0	0	0	114.6	Y225 P234	Y225-Y232 AromaticContact CD2-CD1 3.69Å; Y225-Y232 HydrophobicContact CD2-CD1 3.69Å; Y225-Y232 AromaticContact CD2-CE1 3.84Å; Y225-Y232 HydrophobicContact CD2-CE1 3.84Å; Y225-Y232 AromaticContact CE2-CD1 3.96Å; Y225-Y232 HydrophobicContact CE2-CD1 3.96Å; Y225-Y232 AromaticContact CE2-CE1 3.82Å; Y225-Y232 HydrophobicContact CE2-CE1 3.82Å; Y232-P234 WeakPolarHBondContact O-CD 3.44Å
233	D	87.8	Confident	85.4	Confident	49 Å²	49	52.7 Å²	52.7	26%	0.262	28%	0.283	S	S	.	.			trans	-104.5	95.5	-180	-166	-16.1	0	0	0	111	R210 D231 S235	R210-D233 WeakPolarHBondContact CD-OD1 3.15Å; R210-D233 IonicContact CZ-OD1 2.79Å; R210-D233 IonicContact CZ-OD2 3.76Å; R210-D233 VanDerWaalsContact CZ-OD2 3.29Å; R210-D233 IonicContact NE-OD1 3.78Å; R210-D233 PolarHBondContact NE-OD1 2.71Å; R210-D233 IonicContact NE-OD2 3.35Å; R210-D233 PolarHBondContact NE-OD2 2.65Å; R210-D233 VanDerWaalsContact NE-OD2 3.11Å; R210-D233 IonicContact NH2-OD1 3.3Å; R210-D233 IonicContact NH2-OD2 3.31Å; R210-D233 PolarHBondContact NH2-OD2 2.72Å; D231-D233 PolarHBondContact OD1-N 3Å; D233-S235 PolarHBondContact O-N 2.97Å; D233-S235 VanDerWaalsContact OD1-CB 3.27Å; D233-S235 WeakPolarHBondContact OD1-CB 3.49Å; D233-S235 PolarHBondContact OD1-N 3.17Å; D233-S235 PolarHBondContact OD1-OG 2.79Å
234	P	94.4	Very high	85.3	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.285	C	S	.	.			trans	-73.1	17.5	-177	40.4	-46.3	0	0	0	113.3	G207 I208 Y219 Y232 G275 R277	G207-P234 CarbonylContact C-O 3.5Å; G207-P234 VanDerWaalsContact CA-O 3.23Å; G207-P234 WeakPolarHBondContact CA-O 3.48Å; I208-P234 HydrophobicContact CG2-CB 3.92Å; I208-P234 HydrophobicContact CG2-CG 3.41Å; I208-P234 VanDerWaalsContact CG2-CG 3.41Å; I208-P234 PolarHBondContact N-O 3.41Å; Y219-P234 HydrophobicContact CE2-CG 4.2Å; Y219-P234 WeakPolarHBondContact OH-CD 3.36Å; Y232-P234 WeakPolarHBondContact O-CD 3.44Å; P234-G275 WeakPolarHBondContact CB-O 3.37Å; P234-R277 HydrophobicContact CB-CB 4.47Å
235	S	93.1	Very high	85.2	Confident	24 Å²	24	56.2 Å²	56.2	17%	0.168	30%	0.298	C	S	.	.			trans	-60.7	131.7	-175.3	-70.4	0	0	0	0	110.3	D233 R277	D233-S235 PolarHBondContact O-N 2.97Å; D233-S235 VanDerWaalsContact OD1-CB 3.27Å; D233-S235 WeakPolarHBondContact OD1-CB 3.49Å; D233-S235 PolarHBondContact OD1-N 3.17Å; D233-S235 PolarHBondContact OD1-OG 2.79Å; S235-R277 WeakPolarHBondContact O-CD 3.39Å; S235-R277 PolarHBondContact O-NH1 3.06Å
236	P	93.5	Very high	85.5	Confident	3 Å²	3	57 Å²	57	2%	0.019	30%	0.303	C	S	.	.			trans	-65.4	143.9	177.3	26.2	-35	0	0	0	111.3	I208 E209 Y238 N244 L408	I208-P236 VanDerWaalsContact C-CD 3.43Å; I208-P236 WeakPolarHBondContact O-CD 3.16Å; E209-P236 HydrophobicContact CB-CG 4.44Å; P236-Y238 WeakPolarHBondContact O-CD2 3.47Å; P236-Y238 WeakPolarHBondContact O-CE2 3.25Å; P236-Y238 PolarHBondContact O-N 2.94Å; P236-N244 HydrophobicContact CB-CB 3.76Å; P236-N244 VanDerWaalsContact CB-O 3.28Å; P236-N244 WeakPolarHBondContact CB-O 3.21Å; P236-L408 HydrophobicContact CB-CD1 4.05Å; P236-L408 HydrophobicContact CG-CD1 3.36Å
237	R	88.8	Confident	85.7	Confident	106 Å²	106	56.8 Å²	56.8	40%	0.4	30%	0.302	S	S	.	.			trans	-72.7	113.1	172.7	172.8	-171.9	60.8	71.6	-1.8	109.7	D239 N244 D280	R237-D239 IonicContact CZ-OD2 2.77Å; R237-D239 IonicContact NH1-OD2 2.61Å; R237-D239 PolarHBondContact NH1-OD2 3Å; R237-D239 IonicContact NH2-OD2 2.7Å; R237-N244 VanDerWaalsContact CZ-ND2 3.32Å; R237-N244 PolarHBondContact NH2-ND2 3.49Å; R237-N244 VanDerWaalsContact NH2-ND2 3.11Å; R237-N244 PolarHBondContact O-ND2 2.87Å; R237-N244 VanDerWaalsContact O-ND2 3.09Å; R237-D280 WeakPolarHBondContact CB-OD2 3.44Å; R237-D280 IonicContact CZ-OD1 3.83Å; R237-D280 IonicContact NE-OD1 3.51Å; R237-D280 PolarHBondContact NE-OD1 2.8Å; R237-D280 IonicContact NE-OD2 3.66Å; R237-D280 PolarHBondContact NE-OD2 2.94Å; R237-D280 VanDerWaalsContact NE-OD2 3.13Å; R237-D280 IonicContact NH2-OD1 3.49Å; R237-D280 PolarHBondContact NH2-OD1 3.34Å
238	Y	84.9	Confident	86.4	Confident	93 Å²	93	56.1 Å²	56.1	37%	0.365	30%	0.298	S	S	.	.			trans	-76.3	121.3	180	-57.6	-91.4	0	0	0	112.9	E209 P236 L408 R409	E209-Y238 WeakPolarHBondContact OE1-CE1 3.49Å; E209-Y238 PolarHBondContact OE1-OH 3.06Å; P236-Y238 WeakPolarHBondContact O-CD2 3.47Å; P236-Y238 WeakPolarHBondContact O-CE2 3.25Å; P236-Y238 PolarHBondContact O-N 2.94Å; Y238-L408 HydrophobicContact CD1-CD1 3.96Å; Y238-L408 HydrophobicContact CD1-CD2 3.98Å; Y238-L408 HydrophobicContact CD1-CG 3.9Å; Y238-L408 HydrophobicContact CE1-CD1 3.6Å; Y238-L408 HydrophobicContact CE1-CD2 4.44Å; Y238-L408 HydrophobicContact CE1-CG 3.88Å; Y238-R409 HydrophobicContact CD1-CG 4.05Å; Y238-R409 HydrophobicContact CE1-CG 4.28Å
239	D	79.3	Confident	87.3	Confident	26 Å²	26	55.2 Å²	55.2	14%	0.139	29%	0.291	C	S	.	.			trans	-129.6	177.9	174.3	53.4	32.7	0	0	0	112.4	R237 S241 N242 E243 R409	R237-D239 IonicContact CZ-OD2 2.77Å; R237-D239 IonicContact NH1-OD2 2.61Å; R237-D239 PolarHBondContact NH1-OD2 3Å; R237-D239 IonicContact NH2-OD2 2.7Å; D239-S241 PolarHBondContact OD1-OG 2.9Å; D239-N242 PolarHBondContact O-N 2.79Å; D239-N242 PolarHBondContact O-OD1 2.68Å; D239-N242 WeakPolarHBondContact OD1-CA 3.46Å; D239-N242 PolarHBondContact OD1-N 2.94Å; D239-E243 PolarHBondContact OD1-N 2.98Å; D239-R409 PolarHBondContact O-NH2 3.06Å
240	A	74.5	Confident	88.4	Confident	102 Å²	102	53.2 Å²	53.2	84%	0.843	27%	0.27	S	S	*	.	S	Bend	trans	-71.8	-29.6	-175.4	0	0	0	0	0	113.3	N242	A240-N242 PolarHBondContact O-ND2 3.27Å
241	S	75.6	Confident	89.3	Confident	66 Å²	66	48.2 Å²	48.2	46%	0.462	24%	0.243	S	C	.	.	S	Bend	trans	-76.8	-26.2	175.5	28.8	0	0	0	0	112.3	D239 E243	D239-S241 PolarHBondContact OD1-OG 2.9Å; S241-E243 WeakPolarHBondContact CB-OE1 3.12Å; S241-E243 VanDerWaalsContact OG-CD 3.29Å; S241-E243 PolarHBondContact OG-OE1 3.49Å
242	N	85.6	Confident	90.1	Very high	46 Å²	46	44.8 Å²	44.8	25%	0.246	23%	0.225	C	C	.	.			trans	56.8	55	-167.3	-45.2	-85.3	0	0	0	109.3	D239 A240 K245 L408 R409	D239-N242 PolarHBondContact O-N 2.79Å; D239-N242 PolarHBondContact O-OD1 2.68Å; D239-N242 WeakPolarHBondContact OD1-CA 3.46Å; D239-N242 PolarHBondContact OD1-N 2.94Å; A240-N242 PolarHBondContact O-ND2 3.27Å; N242-K245 HydrophobicContact CB-CD 4.45Å; N242-K245 WeakPolarHBondContact O-CD 3.43Å; N242-K245 WeakPolarHBondContact O-CE 3.33Å; N242-K245 PolarHBondContact O-NZ 3.44Å; N242-L408 HydrophobicContact CB-CD2 3.93Å; N242-R409 PolarHBondContact OD1-NE 2.93Å; N242-R409 PolarHBondContact OD1-NH2 3.1Å
243	E	81.4	Confident	91	Very high	114 Å²	114	37.1 Å²	37.1	53%	0.533	20%	0.195	S	C	.	.			trans	-61.8	-55.5	175.1	-83.9	147.1	-135.7	0	0	109.6	D239 S241 K245	D239-E243 PolarHBondContact OD1-N 2.98Å; S241-E243 WeakPolarHBondContact CB-OE1 3.12Å; S241-E243 VanDerWaalsContact OG-CD 3.29Å; S241-E243 PolarHBondContact OG-OE1 3.49Å; E243-K245 VanDerWaalsContact C-N 3.34Å; E243-K245 PolarHBondContact O-N 3.43Å; E243-K245 PolarHBondContact O-NZ 2.91Å
244	N	92.1	Very high	91.5	Very high	10 Å²	10	34.8 Å²	34.8	5%	0.053	18%	0.183	C	C	.	.	S	Bend	trans	-74.2	71.5	-179.3	-57.6	-43.4	0	0	0	113.7	D206 P236 R237 D280 L408	D206-N244 HydrophobicContact CB-CB 4.15Å; D206-N244 WeakPolarHBondContact OD2-CA 3.44Å; P236-N244 HydrophobicContact CB-CB 3.76Å; P236-N244 VanDerWaalsContact CB-O 3.28Å; P236-N244 WeakPolarHBondContact CB-O 3.21Å; R237-N244 VanDerWaalsContact CZ-ND2 3.32Å; R237-N244 PolarHBondContact NH2-ND2 3.49Å; R237-N244 VanDerWaalsContact NH2-ND2 3.11Å; R237-N244 PolarHBondContact O-ND2 2.87Å; R237-N244 VanDerWaalsContact O-ND2 3.09Å; N244-D280 PolarHBondContact ND2-OD1 2.87Å; N244-D280 PolarHBondContact ND2-OD2 3.42Å; N244-D280 PolarHBondContact OD1-OD1 3.44Å; N244-L408 WeakPolarHBondContact O-CD1 3Å; N244-L408 WeakPolarHBondContact O-CD2 3.42Å
245	K	94.1	Very high	91.7	Very high	63 Å²	63	34.8 Å²	34.8	27%	0.274	18%	0.183	S	C	.	.			trans	-129.5	-9	180	68.6	-171.6	163.8	-60.3	0	113.2	D206 N242 E243 R249 L408	D206-K245 PolarHBondContact OD2-N 3.13Å; N242-K245 HydrophobicContact CB-CD 4.45Å; N242-K245 WeakPolarHBondContact O-CD 3.43Å; N242-K245 WeakPolarHBondContact O-CE 3.33Å; N242-K245 PolarHBondContact O-NZ 3.44Å; E243-K245 VanDerWaalsContact C-N 3.34Å; E243-K245 PolarHBondContact O-N 3.43Å; E243-K245 PolarHBondContact O-NZ 2.91Å; K245-R249 WeakPolarHBondContact O-CD 3.31Å; K245-R249 VanDerWaalsContact O-CG 3.25Å; K245-R249 WeakPolarHBondContact O-CG 3.33Å; K245-R249 PolarHBondContact O-N 2.97Å; K245-R249 VanDerWaalsContact O-N 3.15Å; K245-L408 HydrophobicContact CB-CB 3.75Å; K245-L408 HydrophobicContact CB-CD2 4.38Å
246	H	96.3	Very high	92	Very high	46 Å²	46	33.7 Å²	33.7	21%	0.213	18%	0.175	C	C	.	.	H	α-helix	trans	-74.8	-48.4	-164.9	-174.7	-89.6	0	0	0	111.5	D205 D206 T248 R249 C250 H416 S420	D205-H246 VanDerWaalsContact CG-ND1 3.26Å; D205-H246 WeakPolarHBondContact OD1-CB 3.49Å; D205-H246 IonicContact OD1-CG 2.79Å; D205-H246 IonicContact OD1-ND1 3.77Å; D205-H246 PolarHBondContact OD1-ND1 2.68Å; D205-H246 IonicContact OD2-CE1 2.7Å; D205-H246 PolarHBondContact OD2-CE1 3.38Å; D205-H246 IonicContact OD2-CG 3.6Å; D205-H246 IonicContact OD2-ND1 2.85Å; D205-H246 PolarHBondContact OD2-ND1 2.84Å; D206-H246 PolarHBondContact OD1-N 3.42Å; D206-H246 WeakPolarHBondContact OD2-CA 3.31Å; D206-H246 WeakPolarHBondContact OD2-CB 3.47Å; D206-H246 PolarHBondContact OD2-N 3.12Å; H246-T248 VanDerWaalsContact C-N 3.27Å; H246-T248 PolarHBondContact O-N 2.98Å; H246-R249 WeakPolarHBondContact O-CB 3.42Å; H246-R249 PolarHBondContact O-N 2.88Å; H246-C250 VanDerWaalsContact CE1-SG 3.55Å; H246-C250 PolarHBondContact O-N 2.89Å; H246-C250 PolarHBondContact O-SG 3.1Å; H246-H416 AromaticContact CD2-CE1 3.66Å; H246-H416 AromaticContact NE2-CE1 3.62Å; H246-S420 WeakPolarHBondContact NE2-CB 3.28Å
247	G	97.6	Very high	92.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-63.1	-34.7	175.1	0	0	0	0	0	112.6	D205 D206 G207 R249 C250 A251	D205-G247 PolarHBondContact OD1-N 2.97Å; D206-G247 PolarHBondContact OD1-N 3.01Å; G207-G247 CarbonylContact O-C 3.46Å; G207-G247 VanDerWaalsContact O-C 3.26Å; G207-G247 WeakPolarHBondContact O-CA 3.49Å; G247-R249 VanDerWaalsContact C-N 3.32Å; G247-R249 PolarHBondContact O-N 3.11Å; G247-C250 PolarHBondContact O-N 2.75Å; G247-A251 VanDerWaalsContact O-CB 3.3Å; G247-A251 WeakPolarHBondContact O-CB 3.35Å; G247-A251 PolarHBondContact O-N 3.49Å
248	T	98.5	Very high	92.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-66.8	-30.1	174.4	-63.1	0	0	0	0	112.9	G207 E209 L215 H246 T406	G207-T248 PolarHBondContact O-N 3.02Å; G207-T248 VanDerWaalsContact O-N 3.12Å; G207-T248 PolarHBondContact O-OG1 3.44Å; E209-T248 HydrophobicContact CB-CG2 3.68Å; E209-T248 PolarHBondContact N-OG1 3.23Å; L215-T248 HydrophobicContact CD1-CG2 4.32Å; H246-T248 VanDerWaalsContact C-N 3.27Å; H246-T248 PolarHBondContact O-N 2.98Å; T248-T406 PolarHBondContact O-OG1 3.38Å
249	R	98.4	Very high	92.9	Very high	27 Å²	27	29.2 Å²	29.2	10%	0.102	17%	0.169	C	C	.	.	H	α-helix	trans	-76.5	-46.7	174	-73	159.3	170.6	-120.5	-9.2	111.7	K245 H246 G247 A251 G252 E253 T405 T406 D407 T413 H416	K245-R249 WeakPolarHBondContact O-CD 3.31Å; K245-R249 VanDerWaalsContact O-CG 3.25Å; K245-R249 WeakPolarHBondContact O-CG 3.33Å; K245-R249 PolarHBondContact O-N 2.97Å; K245-R249 VanDerWaalsContact O-N 3.15Å; H246-R249 WeakPolarHBondContact O-CB 3.42Å; H246-R249 PolarHBondContact O-N 2.88Å; G247-R249 VanDerWaalsContact C-N 3.32Å; G247-R249 PolarHBondContact O-N 3.11Å; R249-A251 VanDerWaalsContact C-N 3.3Å; R249-A251 PolarHBondContact O-N 2.85Å; R249-G252 PolarHBondContact O-N 3.28Å; R249-E253 PolarHBondContact O-N 3.35Å; R249-T405 HydrophobicContact CB-CG2 3.71Å; R249-T405 HydrophobicContact CG-CG2 4.04Å; R249-T405 WeakPolarHBondContact O-CG2 3.41Å; R249-T405 PolarHBondContact O-OG1 2.91Å; R249-T406 WeakPolarHBondContact CA-O 3.31Å; R249-T406 WeakPolarHBondContact CG-O 3.11Å; R249-D407 IonicContact CZ-OD1 2.74Å; R249-D407 IonicContact CZ-OD2 3.7Å; R249-D407 IonicContact NE-OD1 2.61Å; R249-D407 PolarHBondContact NE-OD1 3.2Å; R249-D407 IonicContact NE-OD2 3.86Å; R249-D407 IonicContact NH2-OD1 2.7Å; R249-D407 PolarHBondContact NH2-OD1 2.77Å; R249-D407 VanDerWaalsContact NH2-OD1 3.13Å; R249-D407 IonicContact NH2-OD2 2.57Å; R249-D407 PolarHBondContact NH2-OD2 3.21Å; R249-T413 HydrophobicContact CG-CG2 4.33Å; R249-T413 PolarHBondContact NH2-OG1 3.48Å; R249-T413 VanDerWaalsContact NH2-OG1 3.15Å; R249-H416 WeakPolarHBondContact CB-NE2 3.35Å
250	C	98.6	Very high	93.5	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.007	18%	0.177	C	C	.	.	H	α-helix	trans	-57.4	-41.9	176	-65.9	0	0	0	0	111.9	I203 H246 G247 G252 E253 V254 P424	I203-C250 HydrophobicContact CD1-CB 4.23Å; I203-C250 HydrophobicContact CG2-CB 3.92Å; H246-C250 VanDerWaalsContact CE1-SG 3.55Å; H246-C250 PolarHBondContact O-N 2.89Å; H246-C250 PolarHBondContact O-SG 3.1Å; G247-C250 PolarHBondContact O-N 2.75Å; C250-G252 VanDerWaalsContact C-N 3.3Å; C250-G252 PolarHBondContact O-N 3.31Å; C250-E253 PolarHBondContact O-N 3.13Å; C250-V254 PolarHBondContact O-N 2.99Å; C250-P424 HydrophobicContact CB-CB 4.19Å; C250-P424 HydrophobicContact CB-CG 3.58Å
251	A	98.8	Very high	94.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-60	-35.8	177.9	0	0	0	0	0	113.5	I203 I208 L215 G247 R249 A255 I273	I203-A251 HydrophobicContact CG1-CB 4.07Å; I208-A251 HydrophobicContact CD1-CB 3.53Å; I208-A251 HydrophobicContact CG1-CB 3.94Å; L215-A251 HydrophobicContact CD1-CB 3.96Å; L215-A251 HydrophobicContact CD2-CB 4.15Å; G247-A251 VanDerWaalsContact O-CB 3.3Å; G247-A251 WeakPolarHBondContact O-CB 3.35Å; G247-A251 PolarHBondContact O-N 3.49Å; R249-A251 VanDerWaalsContact C-N 3.3Å; R249-A251 PolarHBondContact O-N 2.85Å; A251-A255 PolarHBondContact O-N 3.43Å; A251-I273 HydrophobicContact CB-CG1 3.95Å
252	G	98.5	Very high	95.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-68.2	-40	177.4	0	0	0	0	0	113.2	R249 C250 V254 A255 A256 G266 T405 T406	R249-G252 PolarHBondContact O-N 3.28Å; C250-G252 VanDerWaalsContact C-N 3.3Å; C250-G252 PolarHBondContact O-N 3.31Å; G252-V254 VanDerWaalsContact C-N 3.26Å; G252-V254 PolarHBondContact O-N 3.25Å; G252-A255 PolarHBondContact O-N 3.24Å; G252-A256 WeakPolarHBondContact O-CB 3.41Å; G252-A256 PolarHBondContact O-N 3Å; G252-G266 VanDerWaalsContact O-CA 3.31Å; G252-G266 WeakPolarHBondContact O-CA 3.36Å; G252-T405 WeakPolarHBondContact CA-OG1 3.39Å; G252-T406 VanDerWaalsContact CA-OG1 3.23Å; G252-T406 WeakPolarHBondContact CA-OG1 3.45Å; G252-T406 PolarHBondContact N-OG1 2.92Å
253	E	98.6	Very high	95.5	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.019	14%	0.142	C	C	.	.	H	α-helix	trans	-61.9	-37.1	178	-61.9	-170.9	-122.4	0	0	111.9	R249 C250 I267 I403 T405 H416 V421 P424 M425	R249-E253 PolarHBondContact O-N 3.35Å; C250-E253 PolarHBondContact O-N 3.13Å; E253-I267 PolarHBondContact O-N 2.84Å; E253-I403 HydrophobicContact CG-CG2 4.29Å; E253-I403 WeakPolarHBondContact OE2-CG2 3.43Å; E253-T405 HydrophobicContact CG-CG2 4.28Å; E253-T405 PolarHBondContact N-OG1 2.98Å; E253-H416 IonicContact OE1-CD2 3.45Å; E253-H416 PolarHBondContact OE1-CD2 3.49Å; E253-H416 IonicContact OE1-NE2 3.13Å; E253-V421 WeakPolarHBondContact OE2-CG1 3.44Å; E253-P424 HydrophobicContact CB-CB 4.2Å; E253-M425 WeakPolarHBondContact OE2-CE 3.45Å; E253-M425 WeakPolarHBondContact OE2-CG 3.32Å
254	V	98.9	Very high	96.2	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-71.3	-59	172.2	-175.5	0	0	0	0	110.8	V201 I203 C250 G252 G266 I267 A268 I273 P424 A427	V201-V254 HydrophobicContact CB-CG1 4.04Å; V201-V254 HydrophobicContact CG1-CG1 3.99Å; V201-V254 HydrophobicContact CG1-CG2 4.47Å; V201-V254 HydrophobicContact CG2-CG1 3.94Å; I203-V254 HydrophobicContact CD1-CG2 4.11Å; C250-V254 PolarHBondContact O-N 2.99Å; G252-V254 VanDerWaalsContact C-N 3.26Å; G252-V254 PolarHBondContact O-N 3.25Å; V254-G266 CarbonylContact O-C 3.59Å; V254-I267 PolarHBondContact O-N 2.87Å; V254-A268 HydrophobicContact CG1-CB 4.49Å; V254-A268 CarbonylContact O-C 3.52Å; V254-A268 WeakPolarHBondContact O-CA 3.32Å; V254-A268 WeakPolarHBondContact O-CB 3.48Å; V254-A268 PolarHBondContact O-N 2.83Å; V254-I273 HydrophobicContact CB-CD1 4.08Å; V254-I273 HydrophobicContact CG1-CD1 4.05Å; V254-P424 HydrophobicContact CG2-CB 4.09Å; V254-P424 WeakPolarHBondContact CG2-O 3.35Å; V254-A427 HydrophobicContact CG2-CB 4.45Å
255	A	98.7	Very high	96.4	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-143.2	28.9	-157.3	0	0	0	0	0	115.8	N218 A251 G252 I273	N218-A255 HydrophobicContact CB-CB 4.45Å; N218-A255 PolarHBondContact ND2-O 2.87Å; A251-A255 PolarHBondContact O-N 3.43Å; G252-A255 PolarHBondContact O-N 3.24Å; A255-I273 HydrophobicContact CB-CB 3.69Å; A255-I273 HydrophobicContact CB-CD1 4.48Å; A255-I273 HydrophobicContact CB-CG1 4.15Å; A255-I273 HydrophobicContact CB-CG2 3.92Å
256	A	98.6	Very high	96.6	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.101	C	C	.	.			trans	-52.8	143.1	161.1	0	0	0	0	0	111.5	D214 G252 I264 G266 Y269 T406	D214-A256 VanDerWaalsContact OD2-CB 3.23Å; D214-A256 WeakPolarHBondContact OD2-CB 3.49Å; G252-A256 WeakPolarHBondContact O-CB 3.41Å; G252-A256 PolarHBondContact O-N 3Å; A256-I264 HydrophobicContact CB-CD1 3.59Å; A256-I264 HydrophobicContact CB-CG1 3.64Å; A256-G266 PolarHBondContact O-N 3.13Å; A256-Y269 WeakPolarHBondContact O-CA 3.45Å; A256-Y269 WeakPolarHBondContact O-CB 3.45Å; A256-T406 HydrophobicContact CB-CG2 4.24Å
257	S	97.5	Very high	96.7	Very high	8 Å²	8	16.4 Å²	16.4	6%	0.056	9%	0.092	C	C	.	.			trans	-91	112.3	-162.7	-59	0	0	0	0	112.2	D214 P217 N218 N260	D214-S257 VanDerWaalsContact O-CB 3.29Å; D214-S257 WeakPolarHBondContact O-CB 3.4Å; D214-S257 PolarHBondContact O-N 3.46Å; D214-S257 PolarHBondContact O-OG 3.39Å; D214-S257 PolarHBondContact OD1-N 2.83Å; P217-S257 WeakPolarHBondContact CD-OG 3.49Å; P217-S257 WeakPolarHBondContact CG-OG 3.34Å; N218-S257 PolarHBondContact ND2-OG 3.24Å; S257-N260 PolarHBondContact O-ND2 2.91Å
258	A	95.3	Very high	96.8	Very high	26 Å²	26	16.4 Å²	16.4	22%	0.215	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	143.1	-180	0	0	0	0	0	114.8	F160 N260 V265 Y269	F160-A258 HydrophobicContact CD1-CB 3.84Å; F160-A258 HydrophobicContact CE1-CB 3.64Å; A258-N260 VanDerWaalsContact C-N 3.31Å; A258-N260 PolarHBondContact O-N 3.47Å; A258-V265 HydrophobicContact CB-CG1 3.99Å; A258-Y269 HydrophobicContact CB-CD1 4.21Å; A258-Y269 HydrophobicContact CB-CD2 3.43Å; A258-Y269 VanDerWaalsContact CB-CD2 3.43Å; A258-Y269 HydrophobicContact CB-CE2 3.83Å; A258-Y269 HydrophobicContact CB-CG 3.63Å
259	N	93.7	Very high	96.8	Very high	74 Å²	74	18 Å²	18	40%	0.396	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	25	170.9	-70.3	-74.8	0	0	0	116	F160 N161 D162	F160-N259 WeakPolarHBondContact CA-OD1 3.36Å; F160-N259 VanDerWaalsContact CD1-ND2 3.31Å; F160-N259 WeakPolarHBondContact CD1-ND2 3.2Å; N161-N259 PolarHBondContact N-OD1 2.94Å; N161-N259 VanDerWaalsContact N-OD1 3.15Å; N161-N259 WeakPolarHBondContact ND2-CA 3.48Å; N161-N259 WeakPolarHBondContact ND2-CB 3.39Å; N161-N259 PolarHBondContact ND2-O 3.48Å; N161-N259 PolarHBondContact ND2-OD1 2.9Å; N161-N259 VanDerWaalsContact OD1-C 3.31Å; N161-N259 PolarHBondContact OD1-O 3.46Å; D162-N259 VanDerWaalsContact CG-N 3.31Å; D162-N259 VanDerWaalsContact OD1-C 3.3Å; D162-N259 WeakPolarHBondContact OD1-CA 3.48Å; D162-N259 PolarHBondContact OD1-N 3.43Å; D162-N259 VanDerWaalsContact OD1-N 3.14Å; D162-N259 WeakPolarHBondContact OD2-CA 3.36Å; D162-N259 PolarHBondContact OD2-N 3.42Å
260	N	91.9	Very high	96.8	Very high	55 Å²	55	20.2 Å²	20.2	29%	0.294	11%	0.112	S	C	.	.	S	Bend	trans	-86.1	-5.4	175.3	67	14.3	0	0	0	113.6	D162 D214 S257 A258 Y262	D162-N260 PolarHBondContact OD1-N 3.17Å; D162-N260 PolarHBondContact OD1-OD1 3.32Å; D162-N260 VanDerWaalsContact OD1-OD1 3.13Å; D214-N260 PolarHBondContact OD1-ND2 2.92Å; S257-N260 PolarHBondContact O-ND2 2.91Å; A258-N260 VanDerWaalsContact C-N 3.31Å; A258-N260 PolarHBondContact O-N 3.47Å; N260-Y262 VanDerWaalsContact C-N 3.32Å; N260-Y262 WeakPolarHBondContact OD1-CA 3.28Å; N260-Y262 VanDerWaalsContact OD1-CB 3.3Å; N260-Y262 WeakPolarHBondContact OD1-CB 3.48Å; N260-Y262 PolarHBondContact OD1-N 3.28Å; N260-Y262 PolarHBondContact OD1-O 2.92Å
261	S	92.3	Very high	96.8	Very high	78 Å²	78	20.2 Å²	20.2	55%	0.545	11%	0.112	S	C	.	.	S	Bend	trans	66.8	29.1	-175.6	-55.6	0	0	0	0	114	N161 D162	N161-S261 VanDerWaalsContact CG-OG 3.28Å; N161-S261 WeakPolarHBondContact OD1-CA 3.42Å; N161-S261 WeakPolarHBondContact OD1-CB 3.37Å; N161-S261 PolarHBondContact OD1-N 3.47Å; N161-S261 PolarHBondContact OD1-OG 2.88Å; D162-S261 PolarHBondContact OD1-N 3.39Å
262	Y	91.8	Very high	96.8	Very high	66 Å²	66	23.7 Å²	23.7	26%	0.259	13%	0.127	S	C	.	.	S	Bend	trans	-140	142.7	-175.5	-169.6	-87.2	0	0	0	110	P163 H212 P213 D214 N260 I264 Q410	P163-Y262 VanDerWaalsContact CD-C 3.44Å; H212-Y262 AromaticContact CE1-CE1 3.66Å; P213-Y262 HydrophobicContact CB-CD1 3.98Å; P213-Y262 HydrophobicContact CB-CD2 4.31Å; P213-Y262 HydrophobicContact CB-CE1 3.91Å; P213-Y262 HydrophobicContact CB-CE2 4.23Å; P213-Y262 HydrophobicContact CB-CG 4.18Å; P213-Y262 HydrophobicContact CG-CE1 4.04Å; P213-Y262 HydrophobicContact CG-CE2 4.07Å; D214-Y262 HydrophobicContact CB-CD1 3.96Å; D214-Y262 HydrophobicContact CB-CE1 4.33Å; N260-Y262 VanDerWaalsContact C-N 3.32Å; N260-Y262 WeakPolarHBondContact OD1-CA 3.28Å; N260-Y262 VanDerWaalsContact OD1-CB 3.3Å; N260-Y262 WeakPolarHBondContact OD1-CB 3.48Å; N260-Y262 PolarHBondContact OD1-N 3.28Å; N260-Y262 PolarHBondContact OD1-O 2.92Å; Y262-I264 PolarHBondContact O-N 2.93Å; Y262-I264 VanDerWaalsContact O-N 3.14Å; Y262-Q410 PolarHBondContact OH-O 3.43Å
263	C	94.3	Very high	96.8	Very high	3 Å²	3	23.7 Å²	23.7	2%	0.02	13%	0.127	C	C	.	.	S	Bend	trans	42.7	-111.3	178.2	-135.6	0	0	0	0	117.1	I164 D214 C412	I164-C263 VanDerWaalsContact CB-O 3.24Å; I164-C263 WeakPolarHBondContact CB-O 3.38Å; I164-C263 PolarHBondContact N-O 3.06Å; D214-C263 HydrophobicContact CB-CB 4.42Å; D214-C263 VanDerWaalsContact OD2-CB 3.28Å; D214-C263 WeakPolarHBondContact OD2-CB 3.41Å; C263-C412 WeakPolarHBondContact CA-SG 3.47Å; C263-C412 HydrophobicContact CB-CB 4.42Å; C263-C412 WeakPolarHBondContact CB-SG 3.24Å; C263-C412 WeakPolarHBondContact SG-CA 3.14Å; C263-C412 WeakPolarHBondContact SG-CB 3.34Å; C263-C412 CovalentContact SG-SG 2.03Å; C263-C412 PolarHBondContact SG-SG 2.81Å
264	I	96.1	Very high	96.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.126	C	C	.	.			trans	-131	-165.4	-162.3	59.3	134.6	0	0	0	111.7	I164 M168 D214 A256 Y262 V404 T406	I164-I264 HydrophobicContact CB-CG2 3.9Å; I164-I264 HydrophobicContact CG2-CG2 4.04Å; M168-I264 HydrophobicContact CE-CB 3.76Å; M168-I264 HydrophobicContact CE-CD1 3.91Å; M168-I264 HydrophobicContact CE-CG1 4.47Å; M168-I264 HydrophobicContact CE-CG2 4.21Å; M168-I264 HydrophobicContact SD-CB 3.8Å; M168-I264 HydrophobicContact SD-CG2 4.22Å; D214-I264 PolarHBondContact OD2-N 3.14Å; A256-I264 HydrophobicContact CB-CD1 3.59Å; A256-I264 HydrophobicContact CB-CG1 3.64Å; Y262-I264 PolarHBondContact O-N 2.93Å; Y262-I264 VanDerWaalsContact O-N 3.14Å; I264-V404 HydrophobicContact CG2-CB 4.2Å; I264-V404 HydrophobicContact CG2-CG2 4.36Å; I264-T406 HydrophobicContact CG1-CG2 4.4Å
265	V	97	Very high	96.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.126	C	C	.	.			trans	-134.6	119.7	174.4	-178.8	0	0	0	0	109.1	F160 D162 W165 M168 W190 A258 Y269	F160-V265 HydrophobicContact CB-CG2 3.92Å; F160-V265 HydrophobicContact CD1-CG1 4.12Å; F160-V265 HydrophobicContact CD1-CG2 3.72Å; F160-V265 HydrophobicContact CD2-CG2 4.49Å; F160-V265 HydrophobicContact CE1-CG1 3.94Å; F160-V265 HydrophobicContact CE1-CG2 4.39Å; F160-V265 HydrophobicContact CG-CG2 3.78Å; F160-V265 HydrophobicContact CZ-CG1 4.29Å; D162-V265 HydrophobicContact CB-CG2 4.21Å; D162-V265 WeakPolarHBondContact OD2-CG2 3.46Å; W165-V265 HydrophobicContact CE3-CB 4.2Å; W165-V265 HydrophobicContact CE3-CG2 4.02Å; W165-V265 HydrophobicContact CZ3-CB 4.41Å; M168-V265 VanDerWaalsContact CE-O 3.29Å; M168-V265 WeakPolarHBondContact CE-O 3.37Å; M168-V265 HydrophobicContact SD-CB 4.32Å; M168-V265 PolarHBondContact SD-N 2.88Å; M168-V265 VanDerWaalsContact SD-N 3.44Å; W190-V265 HydrophobicContact CH2-CB 4.38Å; W190-V265 HydrophobicContact CH2-CG1 3.71Å; W190-V265 HydrophobicContact CZ2-CG1 4.14Å; W190-V265 HydrophobicContact CZ3-CG1 4.44Å; A258-V265 HydrophobicContact CB-CG1 3.99Å; V265-Y269 HydrophobicContact CG1-CD1 3.55Å; V265-Y269 HydrophobicContact CG1-CE1 4.25Å; V265-Y269 HydrophobicContact CG1-CG 4.02Å
266	G	98.3	Very high	96.7	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.126	C	C	.	.			trans	-67.6	151	178.9	0	0	0	0	0	111.7	W190 G252 V254 A256 A268 Y269	W190-G266 WeakPolarHBondContact CZ2-O 3.3Å; G252-G266 VanDerWaalsContact O-CA 3.31Å; G252-G266 WeakPolarHBondContact O-CA 3.36Å; V254-G266 CarbonylContact O-C 3.59Å; A256-G266 PolarHBondContact O-N 3.13Å; G266-A268 PolarHBondContact O-N 2.79Å; G266-Y269 WeakPolarHBondContact O-CB 3.37Å; G266-Y269 WeakPolarHBondContact O-CD1 3.26Å; G266-Y269 PolarHBondContact O-N 2.92Å
267	I	98.6	Very high	96.7	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.01	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-37.6	177.9	-70.5	-179	0	0	0	111.3	L171 V186 W190 E253 V254 M425 G428 I429 L432	L171-I267 HydrophobicContact CD1-CG1 4.43Å; L171-I267 HydrophobicContact CD2-CD1 3.92Å; L171-I267 HydrophobicContact CD2-CG1 3.65Å; V186-I267 HydrophobicContact CG1-CG1 4.46Å; V186-I267 HydrophobicContact CG1-CG2 4.02Å; V186-I267 HydrophobicContact CG2-CD1 4.49Å; V186-I267 HydrophobicContact CG2-CG2 4.32Å; W190-I267 PolarHBondContact NE1-O 3.42Å; E253-I267 PolarHBondContact O-N 2.84Å; V254-I267 PolarHBondContact O-N 2.87Å; I267-M425 HydrophobicContact CD1-CB 3.81Å; I267-M425 HydrophobicContact CD1-CG 3.94Å; I267-M425 HydrophobicContact CD1-SD 4.43Å; I267-G428 VanDerWaalsContact CG2-C 3.49Å; I267-I429 HydrophobicContact CD1-CG1 4.31Å; I267-I429 HydrophobicContact CG2-CG1 3.75Å; I267-L432 HydrophobicContact CG2-CD1 4.14Å; I267-L432 HydrophobicContact CG2-CG 4.47Å
268	A	98.7	Very high	96.4	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.6	56	177.6	0	0	0	0	0	110.3	T195 V254 G266 N270 A271 A431 L432	T195-A268 CarbonylContact O-C 3.51Å; T195-A268 VanDerWaalsContact O-CA 3.27Å; T195-A268 WeakPolarHBondContact O-CA 3.34Å; V254-A268 HydrophobicContact CG1-CB 4.49Å; V254-A268 CarbonylContact O-C 3.52Å; V254-A268 WeakPolarHBondContact O-CA 3.32Å; V254-A268 WeakPolarHBondContact O-CB 3.48Å; V254-A268 PolarHBondContact O-N 2.83Å; G266-A268 PolarHBondContact O-N 2.79Å; A268-N270 PolarHBondContact O-N 3.3Å; A268-A271 HydrophobicContact CB-CB 3.88Å; A268-A271 VanDerWaalsContact O-CB 3.27Å; A268-A271 WeakPolarHBondContact O-CB 3.09Å; A268-A271 PolarHBondContact O-N 3.36Å; A268-A431 HydrophobicContact CB-CB 3.86Å; A268-L432 HydrophobicContact CB-CD2 4.26Å
269	Y	98.5	Very high	96.2	Very high	33 Å²	33	26.2 Å²	26.2	13%	0.129	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-1.7	-173.7	63.3	-105.9	0	0	0	117.2	F160 W190 T195 N218 A256 A258 V265 G266	F160-Y269 HydrophobicContact CE1-CE1 4.04Å; F160-Y269 AromaticContact CZ-CE1 3.88Å; F160-Y269 HydrophobicContact CZ-CE1 3.88Å; W190-Y269 HydrophobicContact CD2-CD1 4.46Å; W190-Y269 AromaticContact CD2-CE1 3.77Å; W190-Y269 HydrophobicContact CD2-CE1 3.77Å; W190-Y269 AromaticContact CE2-CD1 3.82Å; W190-Y269 AromaticContact CE2-CE1 3.57Å; W190-Y269 HydrophobicContact CE3-CE1 4.29Å; W190-Y269 HydrophobicContact CG-CE1 4.06Å; W190-Y269 HydrophobicContact CH2-CD1 4.38Å; W190-Y269 HydrophobicContact CH2-CE1 4.4Å; W190-Y269 AromaticContact CZ2-CD1 3.78Å; W190-Y269 HydrophobicContact CZ2-CD1 3.78Å; W190-Y269 AromaticContact CZ2-CE1 3.92Å; W190-Y269 HydrophobicContact CZ2-CE1 3.92Å; W190-Y269 AromaticContact NE1-CE1 3.78Å; T195-Y269 HydrophobicContact CG2-CE1 4.11Å; T195-Y269 HydrophobicContact CG2-CE2 3.76Å; T195-Y269 VanDerWaalsContact CG2-CZ 3.46Å; T195-Y269 VanDerWaalsContact CG2-OH 3.31Å; T195-Y269 WeakPolarHBondContact CG2-OH 3.34Å; T195-Y269 PolarHBondContact O-N 3.05Å; N218-Y269 PolarHBondContact ND2-O 3.03Å; A256-Y269 WeakPolarHBondContact O-CA 3.45Å; A256-Y269 WeakPolarHBondContact O-CB 3.45Å; A258-Y269 HydrophobicContact CB-CD1 4.21Å; A258-Y269 HydrophobicContact CB-CD2 3.43Å; A258-Y269 VanDerWaalsContact CB-CD2 3.43Å; A258-Y269 HydrophobicContact CB-CE2 3.83Å; A258-Y269 HydrophobicContact CB-CG 3.63Å; V265-Y269 HydrophobicContact CG1-CD1 3.55Å; V265-Y269 HydrophobicContact CG1-CE1 4.25Å; V265-Y269 HydrophobicContact CG1-CG 4.02Å; G266-Y269 WeakPolarHBondContact O-CB 3.37Å; G266-Y269 WeakPolarHBondContact O-CD1 3.26Å; G266-Y269 PolarHBondContact O-N 2.92Å
270	N	98.5	Very high	95.9	Very high	75 Å²	75	23.9 Å²	23.9	40%	0.401	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.2	5.7	169.9	-75.5	-39.2	0	0	0	113.4	T195 K197 A268	T195-N270 VanDerWaalsContact CB-ND2 3.32Å; T195-N270 WeakPolarHBondContact CB-ND2 3.37Å; T195-N270 PolarHBondContact O-N 3.33Å; T195-N270 PolarHBondContact OG1-ND2 3.07Å; K197-N270 HydrophobicContact CB-CB 4.17Å; A268-N270 PolarHBondContact O-N 3.3Å
271	A	98.8	Very high	95.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.127	C	C	.	.	S	Bend	trans	-72.2	163.3	172.3	0	0	0	0	0	111.8	G196 N218 A268	G196-A271 WeakPolarHBondContact O-CA 3.3Å; G196-A271 WeakPolarHBondContact O-CB 3.49Å; N218-A271 WeakPolarHBondContact CB-O 3.37Å; A268-A271 HydrophobicContact CB-CB 3.88Å; A268-A271 VanDerWaalsContact O-CB 3.27Å; A268-A271 WeakPolarHBondContact O-CB 3.09Å; A268-A271 PolarHBondContact O-N 3.36Å
272	K	98.8	Very high	94.7	Very high	74 Å²	74	26.8 Å²	26.8	32%	0.322	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	135.1	166.9	-72.7	-51.3	-167.1	176.8	0	110.6	V199 V200 V201 P217 N218 D220	V199-K272 PolarHBondContact O-N 3.09Å; V200-K272 HydrophobicContact CG2-CB 4.3Å; V201-K272 PolarHBondContact N-O 2.71Å; P217-K272 PolarHBondContact O-NZ 3.11Å; N218-K272 WeakPolarHBondContact O-CA 3.16Å; N218-K272 WeakPolarHBondContact O-CD 3.33Å; D220-K272 HydrophobicContact CB-CB 4.03Å; D220-K272 HydrophobicContact CB-CD 4.42Å
273	I	98.8	Very high	94.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	119.2	-174.1	-167.6	63	0	0	0	111	V201 I203 I208 N218 Y219 D220 A251 V254 A255	V201-I273 HydrophobicContact CB-CD1 3.99Å; V201-I273 HydrophobicContact CG1-CD1 4.15Å; V201-I273 CarbonylContact O-C 3.57Å; V201-I273 WeakPolarHBondContact O-CA 3.44Å; I203-I273 HydrophobicContact CD1-CD1 4.12Å; I203-I273 HydrophobicContact CG1-CD1 3.95Å; I208-I273 HydrophobicContact CD1-CG1 4.13Å; I208-I273 HydrophobicContact CD1-CG2 4.46Å; N218-I273 HydrophobicContact CB-CG2 4.02Å; N218-I273 PolarHBondContact O-N 2.89Å; Y219-I273 CarbonylContact C-O 3.56Å; Y219-I273 WeakPolarHBondContact CA-O 3.31Å; D220-I273 PolarHBondContact N-O 2.94Å; A251-I273 HydrophobicContact CB-CG1 3.95Å; V254-I273 HydrophobicContact CB-CD1 4.08Å; V254-I273 HydrophobicContact CG1-CD1 4.05Å; A255-I273 HydrophobicContact CB-CB 3.69Å; A255-I273 HydrophobicContact CB-CD1 4.48Å; A255-I273 HydrophobicContact CB-CG1 4.15Å; A255-I273 HydrophobicContact CB-CG2 3.92Å
274	G	98.4	Very high	93.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	172	169.9	0	0	0	0	0	112.6	V201 T202 I203 S224	V201-G274 PolarHBondContact O-N 2.86Å; T202-G274 WeakPolarHBondContact CA-O 3.31Å; I203-G274 PolarHBondContact N-O 3.1Å; I203-G274 VanDerWaalsContact N-O 3.08Å; S224-G274 WeakPolarHBondContact OG-CA 3.36Å
275	G	98.1	Very high	92.9	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	142.2	165.8	0	0	0	0	0	110	I203 S224 Y225 P234	I203-G275 CarbonylContact O-C 3.55Å; I203-G275 WeakPolarHBondContact O-CA 3.33Å; S224-G275 WeakPolarHBondContact CA-O 3.3Å; S224-G275 VanDerWaalsContact CB-O 3.28Å; S224-G275 WeakPolarHBondContact CB-O 3.46Å; S224-G275 PolarHBondContact OG-N 3.01Å; Y225-G275 PolarHBondContact N-O 3.09Å; Y225-G275 VanDerWaalsContact N-O 3.12Å; P234-G275 WeakPolarHBondContact CB-O 3.37Å
276	I	97.8	Very high	91.9	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	105.1	172	-67.7	166.7	0	0	0	106.2	T202 I203 L204 D205 Y225 V227 M278 I294 I299	T202-I276 HydrophobicContact CG2-CD1 3.95Å; I203-I276 PolarHBondContact O-N 2.86Å; L204-I276 HydrophobicContact CD2-CB 3.66Å; L204-I276 HydrophobicContact CD2-CD1 3.54Å; L204-I276 HydrophobicContact CD2-CG1 4.11Å; L204-I276 HydrophobicContact CD2-CG2 4.06Å; D205-I276 PolarHBondContact N-O 3.18Å; Y225-I276 VanDerWaalsContact O-CA 3.29Å; Y225-I276 WeakPolarHBondContact O-CA 3.47Å; V227-I276 HydrophobicContact CG2-CG2 3.81Å; I276-M278 HydrophobicContact CG2-CG 4.36Å; I276-M278 PolarHBondContact O-N 2.8Å; I276-I294 HydrophobicContact CD1-CB 3.78Å; I276-I294 HydrophobicContact CD1-CD1 3.87Å; I276-I294 HydrophobicContact CD1-CG1 4.46Å; I276-I294 HydrophobicContact CD1-CG2 3.72Å; I276-I294 HydrophobicContact CG1-CD1 4.13Å; I276-I294 HydrophobicContact CG1-CG2 4.46Å; I276-I294 HydrophobicContact CG2-CD1 3.86Å; I276-I299 HydrophobicContact CD1-CD1 4.46Å
277	R	97.3	Very high	91	Very high	35 Å²	35	37 Å²	37	13%	0.132	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	112.1	178.5	177.5	160	163	-117	-21.5	108.3	D205 D206 Y225 D226 V227 N228 P234 S235 D280	D205-R277 WeakPolarHBondContact O-CA 3.28Å; D206-R277 VanDerWaalsContact O-CD 3.3Å; D206-R277 WeakPolarHBondContact O-CD 3.33Å; D206-R277 WeakPolarHBondContact O-CG 3.26Å; Y225-R277 PolarHBondContact O-N 3.38Å; D226-R277 HydrophobicContact CB-CB 4.37Å; D226-R277 IonicContact OD2-CZ 2.71Å; D226-R277 VanDerWaalsContact OD2-CZ 3.27Å; D226-R277 IonicContact OD2-NE 2.67Å; D226-R277 IonicContact OD2-NH1 3.72Å; D226-R277 PolarHBondContact OD2-NH1 3.48Å; D226-R277 IonicContact OD2-NH2 3.26Å; V227-R277 WeakPolarHBondContact CB-O 3.41Å; V227-R277 PolarHBondContact N-O 3.14Å; N228-R277 PolarHBondContact OD1-O 3.47Å; P234-R277 HydrophobicContact CB-CB 4.47Å; S235-R277 WeakPolarHBondContact O-CD 3.39Å; S235-R277 PolarHBondContact O-NH1 3.06Å; R277-D280 HydrophobicContact CG-CB 4.39Å; R277-D280 IonicContact CZ-OD2 3.13Å; R277-D280 IonicContact NE-OD2 2.77Å; R277-D280 PolarHBondContact NE-OD2 3.36Å; R277-D280 IonicContact NH2-OD2 3.36Å; R277-D280 PolarHBondContact NH2-OD2 2.74Å
278	M	92.8	Very high	90.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.212	C	C	.	.			trans	-140.8	-16.1	-177	54.2	78.6	61.7	0	0	114.2	D205 V227 N228 I276 V283 V287 S291 W306	D205-M278 PolarHBondContact O-N 2.99Å; V227-M278 HydrophobicContact CB-CB 4.14Å; V227-M278 HydrophobicContact CG2-CB 4.45Å; N228-M278 PolarHBondContact ND2-O 2.77Å; N228-M278 WeakPolarHBondContact OD1-CA 3.48Å; N228-M278 PolarHBondContact OD1-N 3.48Å; N228-M278 PolarHBondContact OD1-O 2.65Å; I276-M278 HydrophobicContact CG2-CG 4.36Å; I276-M278 PolarHBondContact O-N 2.8Å; M278-V283 HydrophobicContact CE-CG1 4.12Å; M278-V287 HydrophobicContact CB-CG1 3.92Å; M278-V287 HydrophobicContact CE-CG1 4.31Å; M278-S291 VanDerWaalsContact CB-OG 3.31Å; M278-S291 WeakPolarHBondContact CB-OG 3.34Å; M278-S291 WeakPolarHBondContact CG-OG 2.94Å; M278-W306 HydrophobicContact CE-CD2 4.32Å; M278-W306 HydrophobicContact CE-CH2 3.97Å; M278-W306 HydrophobicContact CE-CZ2 3.6Å; M278-W306 HydrophobicContact CE-CZ3 4.44Å; M278-W306 HydrophobicContact SD-CD2 4.49Å; M278-W306 HydrophobicContact SD-CZ2 4.11Å
279	L	90	Very high	89.7	Confident	56 Å²	56	38.8 Å²	38.8	29%	0.293	22%	0.219	S	C	.	.	S	Bend	trans	-89.2	-12	177.8	-59.4	-178.9	0	0	0	115.3	D205 D206 G281 V283 W306	D205-L279 PolarHBondContact O-N 2.89Å; D205-L279 VanDerWaalsContact O-N 3.15Å; D206-L279 HydrophobicContact CB-CB 4.46Å; L279-G281 PolarHBondContact O-N 3.36Å; L279-V283 HydrophobicContact CD2-CG2 3.99Å; L279-W306 HydrophobicContact CD1-CB 4.18Å; L279-W306 HydrophobicContact CD1-CG 4.32Å; L279-W306 HydrophobicContact CD2-CB 4.08Å; L279-W306 HydrophobicContact CD2-CD2 4.47Å; L279-W306 HydrophobicContact CD2-CG 3.97Å
280	D	87.8	Confident	88.9	Confident	24 Å²	24	40.5 Å²	40.5	13%	0.128	23%	0.227	C	C	.	.	S	Bend	trans	-87.1	53.4	-179	-174.2	43.9	0	0	0	111.3	N228 R237 N244 R277	N228-D280 PolarHBondContact OD1-N 3.45Å; R237-D280 WeakPolarHBondContact CB-OD2 3.44Å; R237-D280 IonicContact CZ-OD1 3.83Å; R237-D280 IonicContact NE-OD1 3.51Å; R237-D280 PolarHBondContact NE-OD1 2.8Å; R237-D280 IonicContact NE-OD2 3.66Å; R237-D280 PolarHBondContact NE-OD2 2.94Å; R237-D280 VanDerWaalsContact NE-OD2 3.13Å; R237-D280 IonicContact NH2-OD1 3.49Å; R237-D280 PolarHBondContact NH2-OD1 3.34Å; N244-D280 PolarHBondContact ND2-OD1 2.87Å; N244-D280 PolarHBondContact ND2-OD2 3.42Å; N244-D280 PolarHBondContact OD1-OD1 3.44Å; R277-D280 HydrophobicContact CG-CB 4.39Å; R277-D280 IonicContact CZ-OD2 3.13Å; R277-D280 IonicContact NE-OD2 2.77Å; R277-D280 PolarHBondContact NE-OD2 3.36Å; R277-D280 IonicContact NH2-OD2 3.36Å; R277-D280 PolarHBondContact NH2-OD2 2.74Å
281	G	80.3	Confident	88.5	Confident	42 Å²	42	37 Å²	37	43%	0.433	21%	0.208	S	C	.	.	S	Bend	trans	163.5	-174.5	-177.4	0	0	0	0	0	112.7	L279 V283	L279-G281 PolarHBondContact O-N 3.36Å; G281-V283 PolarHBondContact O-N 3.44Å; G281-V283 VanDerWaalsContact O-N 3.09Å
282	D	79.3	Confident	88.1	Confident	152 Å²	152	37 Å²	37	81%	0.813	21%	0.208	S	C	*	.			trans	-65.3	107.8	-178.7	-63.7	-30.2	0	0	0	111.7
283	V	83.4	Confident	87.5	Confident	60 Å²	60	35.1 Å²	35.1	36%	0.364	21%	0.21	S	C	.	.			trans	-75.9	136.2	175.2	-173.4	0	0	0	0	109.9	M278 L279 G281 E288	M278-V283 HydrophobicContact CE-CG1 4.12Å; L279-V283 HydrophobicContact CD2-CG2 3.99Å; G281-V283 PolarHBondContact O-N 3.44Å; G281-V283 VanDerWaalsContact O-N 3.09Å; V283-E288 HydrophobicContact CG1-CG 3.93Å
284	T	79.6	Confident	87	Confident	67 Å²	67	35.9 Å²	35.9	41%	0.411	21%	0.214	S	C	.	.			trans	-148.8	161.3	-179.8	60.9	0	0	0	0	110.5	V286 V287 E288	T284-V286 PolarHBondContact O-N 3.16Å; T284-V287 WeakPolarHBondContact O-CA 3.42Å; T284-V287 WeakPolarHBondContact O-CB 3.4Å; T284-V287 PolarHBondContact O-N 3.32Å; T284-V287 WeakPolarHBondContact OG1-CG2 3.47Å; T284-V287 PolarHBondContact OG1-N 2.96Å; T284-E288 WeakPolarHBondContact O-CG 3.03Å; T284-E288 PolarHBondContact O-N 2.86Å
285	D	80.9	Confident	86.6	Confident	43 Å²	43	38.3 Å²	38.3	23%	0.23	22%	0.223	C	C	.	.	H	α-helix	trans	-48.4	-31.8	174.2	-170.7	26	0	0	0	113.1	A289 G319 R320 L321 A322	D285-A289 WeakPolarHBondContact O-CB 3.21Å; D285-A289 PolarHBondContact O-N 2.92Å; D285-G319 WeakPolarHBondContact OD1-CA 3.42Å; D285-R320 PolarHBondContact OD1-N 2.94Å; D285-R320 PolarHBondContact OD2-N 3.34Å; D285-L321 VanDerWaalsContact CG-N 3.33Å; D285-L321 WeakPolarHBondContact OD1-CA 3.09Å; D285-L321 WeakPolarHBondContact OD1-CB 3.17Å; D285-L321 PolarHBondContact OD1-N 3.43Å; D285-L321 WeakPolarHBondContact OD2-CG 3.34Å; D285-L321 PolarHBondContact OD2-N 2.97Å; D285-A322 PolarHBondContact OD1-N 2.84Å
286	V	75.4	Confident	86.2	Confident	92 Å²	92	39 Å²	39	56%	0.558	23%	0.227	S	C	*	.	H	α-helix	trans	-74.3	-42.3	174.9	-180	0	0	0	0	112.2	T284 K290 L321	T284-V286 PolarHBondContact O-N 3.16Å; V286-K290 VanDerWaalsContact O-CB 3.23Å; V286-K290 WeakPolarHBondContact O-CB 3.26Å; V286-K290 PolarHBondContact O-N 3.37Å; V286-L321 HydrophobicContact CB-CD1 4.49Å; V286-L321 HydrophobicContact CG2-CD1 3.65Å
287	V	80.1	Confident	86	Confident	22 Å²	22	43.2 Å²	43.2	13%	0.133	25%	0.25	C	C	.	.	H	α-helix	trans	-65.1	-45.9	177	165.6	0	0	0	0	110.3	V227 M278 T284 S291	V227-V287 HydrophobicContact CG1-CB 4.17Å; V227-V287 HydrophobicContact CG1-CG1 3.8Å; V227-V287 HydrophobicContact CG1-CG2 4.09Å; M278-V287 HydrophobicContact CB-CG1 3.92Å; M278-V287 HydrophobicContact CE-CG1 4.31Å; T284-V287 WeakPolarHBondContact O-CA 3.42Å; T284-V287 WeakPolarHBondContact O-CB 3.4Å; T284-V287 PolarHBondContact O-N 3.32Å; T284-V287 WeakPolarHBondContact OG1-CG2 3.47Å; T284-V287 PolarHBondContact OG1-N 2.96Å; V287-S291 WeakPolarHBondContact O-CB 3.42Å; V287-S291 PolarHBondContact O-N 2.86Å; V287-S291 PolarHBondContact O-OG 3.2Å
288	E	85.3	Confident	85.9	Confident	21 Å²	21	45.8 Å²	45.8	10%	0.098	26%	0.26	C	S	.	.	H	α-helix	trans	-60.3	-53.1	175	-66.5	160.2	-160.9	0	0	111.6	V283 T284 K290 S291 L292 W306 A322 Y360	V283-E288 HydrophobicContact CG1-CG 3.93Å; T284-E288 WeakPolarHBondContact O-CG 3.03Å; T284-E288 PolarHBondContact O-N 2.86Å; E288-K290 VanDerWaalsContact C-N 3.32Å; E288-K290 PolarHBondContact O-N 3.05Å; E288-S291 WeakPolarHBondContact O-CA 3.43Å; E288-S291 WeakPolarHBondContact O-CB 3.42Å; E288-S291 PolarHBondContact O-N 3.16Å; E288-L292 WeakPolarHBondContact O-CB 3.5Å; E288-L292 WeakPolarHBondContact O-CG 3.37Å; E288-L292 PolarHBondContact O-N 2.97Å; E288-W306 HydrophobicContact CB-CH2 4.37Å; E288-W306 HydrophobicContact CG-CH2 3.99Å; E288-W306 HydrophobicContact CG-CZ3 4.04Å; E288-A322 HydrophobicContact CB-CB 3.94Å; E288-A322 WeakPolarHBondContact OE2-CB 3.32Å; E288-Y360 PolarHBondContact OE1-OH 3.48Å; E288-Y360 VanDerWaalsContact OE1-OH 3.13Å; E288-Y360 PolarHBondContact OE2-OH 3.4Å
289	A	83.3	Confident	86.2	Confident	18 Å²	18	45.8 Å²	45.8	15%	0.149	26%	0.26	C	S	.	.	H	α-helix	trans	-62.2	-38.2	-179	0	0	0	0	0	112.7	D285 G293 L321 A325	D285-A289 WeakPolarHBondContact O-CB 3.21Å; D285-A289 PolarHBondContact O-N 2.92Å; A289-G293 WeakPolarHBondContact O-CA 3.39Å; A289-G293 PolarHBondContact O-N 3.02Å; A289-L321 VanDerWaalsContact CB-C 3.44Å; A289-L321 HydrophobicContact CB-CB 3.49Å; A289-L321 VanDerWaalsContact CB-CB 3.49Å; A289-L321 WeakPolarHBondContact CB-O 3.41Å; A289-A325 HydrophobicContact CB-CB 4.12Å
290	K	82	Confident	86.6	Confident	70 Å²	70	44.3 Å²	44.3	30%	0.304	25%	0.253	S	S	.	.	H	α-helix	trans	-64.5	-42.7	172.4	-175.9	174.8	171.3	-167.8	0	110.7	Y225 V227 N230 V286 E288 G293 I294	Y225-K290 VanDerWaalsContact CE1-NZ 3.28Å; Y225-K290 PolarHBondContact OH-NZ 2.92Å; V227-K290 HydrophobicContact CG1-CD 4.08Å; V227-K290 HydrophobicContact CG2-CD 4.49Å; V227-K290 HydrophobicContact CG2-CG 4.43Å; N230-K290 PolarHBondContact OD1-NZ 3.29Å; V286-K290 VanDerWaalsContact O-CB 3.23Å; V286-K290 WeakPolarHBondContact O-CB 3.26Å; V286-K290 PolarHBondContact O-N 3.37Å; E288-K290 VanDerWaalsContact C-N 3.32Å; E288-K290 PolarHBondContact O-N 3.05Å; K290-G293 PolarHBondContact O-N 2.83Å; K290-I294 WeakPolarHBondContact O-CD1 3.37Å; K290-I294 VanDerWaalsContact O-CG1 3.27Å; K290-I294 WeakPolarHBondContact O-CG1 3.26Å; K290-I294 PolarHBondContact O-N 2.76Å; K290-I294 VanDerWaalsContact O-N 3.16Å
291	S	90.3	Very high	87.1	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-62.9	-52.3	179.4	-58.2	0	0	0	0	112.3	M278 V287 E288 G293 I294	M278-S291 VanDerWaalsContact CB-OG 3.31Å; M278-S291 WeakPolarHBondContact CB-OG 3.34Å; M278-S291 WeakPolarHBondContact CG-OG 2.94Å; V287-S291 WeakPolarHBondContact O-CB 3.42Å; V287-S291 PolarHBondContact O-N 2.86Å; V287-S291 PolarHBondContact O-OG 3.2Å; E288-S291 WeakPolarHBondContact O-CA 3.43Å; E288-S291 WeakPolarHBondContact O-CB 3.42Å; E288-S291 PolarHBondContact O-N 3.16Å; S291-G293 PolarHBondContact O-N 3.4Å; S291-I294 PolarHBondContact O-N 2.95Å
292	L	90.1	Very high	88	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-62.1	-30.6	175.3	-68	166.6	0	0	0	112.6	L204 E288 A322 A325 F326 F341 W343	L204-L292 HydrophobicContact CD1-CD2 3.9Å; E288-L292 WeakPolarHBondContact O-CB 3.5Å; E288-L292 WeakPolarHBondContact O-CG 3.37Å; E288-L292 PolarHBondContact O-N 2.97Å; L292-A322 HydrophobicContact CD1-CB 4.14Å; L292-A325 HydrophobicContact CB-CB 3.74Å; L292-A325 HydrophobicContact CD1-CB 4.26Å; L292-F326 HydrophobicContact CD1-CD1 4.45Å; L292-F326 HydrophobicContact CD1-CD2 3.89Å; L292-F326 HydrophobicContact CD1-CE1 4.23Å; L292-F326 HydrophobicContact CD1-CE2 3.63Å; L292-F326 HydrophobicContact CD1-CG 4.3Å; L292-F326 HydrophobicContact CD1-CZ 3.82Å; L292-F326 HydrophobicContact CD2-CD1 4.14Å; L292-F326 HydrophobicContact CD2-CE1 3.59Å; L292-F326 HydrophobicContact CD2-CE2 4.42Å; L292-F326 HydrophobicContact CD2-CZ 3.75Å; L292-F326 HydrophobicContact CG-CZ 4.47Å; L292-F341 HydrophobicContact CB-CE1 4.43Å; L292-F341 HydrophobicContact CD2-CD1 3.73Å; L292-F341 HydrophobicContact CD2-CE1 3.59Å; L292-W343 HydrophobicContact CD2-CH2 4.01Å; L292-W343 HydrophobicContact CD2-CZ3 4.05Å
293	G	87.4	Confident	88.9	Confident	34 Å²	34	34 Å²	34	35%	0.351	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	0	-177	0	0	0	0	0	116.2	A289 K290 S291 R295 P296	A289-G293 WeakPolarHBondContact O-CA 3.39Å; A289-G293 PolarHBondContact O-N 3.02Å; K290-G293 PolarHBondContact O-N 2.83Å; S291-G293 PolarHBondContact O-N 3.4Å; G293-R295 PolarHBondContact O-N 3.44Å; G293-P296 VanDerWaalsContact O-CD 3.31Å; G293-P296 WeakPolarHBondContact O-CD 3.5Å
294	I	86.6	Confident	89.6	Confident	17 Å²	17	31.2 Å²	31.2	9%	0.087	17%	0.171	C	C	.	.	S	Bend	trans	-70.8	116.1	179.4	-82.5	153	0	0	0	110.6	Y225 V227 I276 K290 S291 P296 I299 Y302	Y225-I294 HydrophobicContact CD1-CD1 3.79Å; Y225-I294 HydrophobicContact CG-CD1 3.92Å; V227-I294 HydrophobicContact CG2-CD1 4.06Å; I276-I294 HydrophobicContact CD1-CB 3.78Å; I276-I294 HydrophobicContact CD1-CD1 3.87Å; I276-I294 HydrophobicContact CD1-CG1 4.46Å; I276-I294 HydrophobicContact CD1-CG2 3.72Å; I276-I294 HydrophobicContact CG1-CD1 4.13Å; I276-I294 HydrophobicContact CG1-CG2 4.46Å; I276-I294 HydrophobicContact CG2-CD1 3.86Å; K290-I294 WeakPolarHBondContact O-CD1 3.37Å; K290-I294 VanDerWaalsContact O-CG1 3.27Å; K290-I294 WeakPolarHBondContact O-CG1 3.26Å; K290-I294 PolarHBondContact O-N 2.76Å; K290-I294 VanDerWaalsContact O-N 3.16Å; S291-I294 PolarHBondContact O-N 2.95Å; I294-P296 VanDerWaalsContact C-CD 3.47Å; I294-I299 HydrophobicContact CG2-CD1 4.14Å; I294-Y302 PolarHBondContact O-OH 3.3Å
295	R	90.6	Very high	90.2	Very high	51 Å²	51	28.9 Å²	28.9	19%	0.192	16%	0.157	C	C	.	.			trans	46.2	50.5	168.8	-56.2	170.8	-168.1	130.9	-0.5	115.4	S221 Y222 S224 G293 N297 Y298 I299	S221-R295 PolarHBondContact O-NH1 3.02Å; Y222-R295 WeakPolarHBondContact O-CD 3.35Å; Y222-R295 PolarHBondContact O-NE 3.36Å; Y222-R295 PolarHBondContact O-NH1 2.9Å; S224-R295 PolarHBondContact O-NH1 3.29Å; S224-R295 PolarHBondContact O-NH2 3.43Å; G293-R295 PolarHBondContact O-N 3.44Å; R295-N297 PolarHBondContact O-N 2.93Å; R295-Y298 PolarHBondContact O-N 3.15Å; R295-I299 PolarHBondContact O-N 3.21Å; R295-I299 VanDerWaalsContact O-N 3.09Å
296	P	90.6	Very high	90.9	Very high	13 Å²	13	28.2 Å²	28.2	8%	0.084	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-8.7	-174.8	29	-37.8	0	0	0	115.3	G293 I294 Y302 Y328 G333 R334 S339	G293-P296 VanDerWaalsContact O-CD 3.31Å; G293-P296 WeakPolarHBondContact O-CD 3.5Å; I294-P296 VanDerWaalsContact C-CD 3.47Å; P296-Y302 WeakPolarHBondContact CA-OH 3.45Å; P296-Y328 HydrophobicContact CG-CD1 4.21Å; P296-Y328 HydrophobicContact CG-CE1 3.87Å; P296-G333 CarbonylContact O-C 3.26Å; P296-G333 WeakPolarHBondContact O-CA 3.32Å; P296-R334 PolarHBondContact O-N 3.06Å; P296-S339 WeakPolarHBondContact CB-OG 3.06Å
297	N	92.6	Very high	91.8	Very high	89 Å²	89	25.4 Å²	25.4	48%	0.476	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	2.2	170.6	-79.6	-38.7	0	0	0	114.1	R295 K332 Q335	R295-N297 PolarHBondContact O-N 2.93Å; N297-K332 PolarHBondContact OD1-O 3.31Å; N297-K332 VanDerWaalsContact OD1-O 3.04Å; N297-Q335 WeakPolarHBondContact OD1-CA 3.32Å; N297-Q335 PolarHBondContact OD1-N 3.3Å
298	Y	95.8	Very high	92.5	Very high	89 Å²	89	25.8 Å²	25.8	35%	0.349	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.1	-43.5	177.3	-175.9	-102.5	0	0	0	112.1	V200 D220 Y222 R295	V200-Y298 HydrophobicContact CB-CE1 4.47Å; V200-Y298 WeakPolarHBondContact CB-O 3.36Å; V200-Y298 HydrophobicContact CG1-CD1 3.99Å; V200-Y298 HydrophobicContact CG1-CE1 3.8Å; V200-Y298 HydrophobicContact CG2-CD1 4.37Å; V200-Y298 HydrophobicContact CG2-CE1 3.93Å; D220-Y298 WeakPolarHBondContact OD2-CE1 3.35Å; D220-Y298 PolarHBondContact OD2-OH 3.41Å; Y222-Y298 AromaticContact CD1-CD1 3.45Å; Y222-Y298 HydrophobicContact CD1-CD1 3.45Å; Y222-Y298 VanDerWaalsContact CD1-CD1 3.45Å; Y222-Y298 AromaticContact CD1-CD2 3.76Å; Y222-Y298 HydrophobicContact CD1-CD2 3.76Å; Y222-Y298 AromaticContact CD1-CE1 3.63Å; Y222-Y298 HydrophobicContact CD1-CE1 3.63Å; Y222-Y298 AromaticContact CD1-CE2 3.93Å; Y222-Y298 HydrophobicContact CD1-CE2 3.93Å; Y222-Y298 AromaticContact CD1-CG 3.51Å; Y222-Y298 HydrophobicContact CD1-CG 3.51Å; Y222-Y298 AromaticContact CD1-CZ 3.86Å; Y222-Y298 HydrophobicContact CE1-CD1 4.13Å; Y222-Y298 AromaticContact CE1-CD2 3.98Å; Y222-Y298 HydrophobicContact CE1-CD2 3.98Å; Y222-Y298 AromaticContact CE1-CG 3.75Å; Y222-Y298 HydrophobicContact CE1-CG 3.75Å; Y222-Y298 HydrophobicContact CG-CD1 4.36Å; Y222-Y298 HydrophobicContact CG-CE1 4.28Å; R295-Y298 PolarHBondContact O-N 3.15Å
299	I	98.3	Very high	92.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.169	C	C	.	.			trans	-81.3	123	177.2	-56.5	178.3	0	0	0	108.6	V200 T202 A223 I276 I294 R295 I301 Y302	V200-I299 HydrophobicContact CG1-CB 4.44Å; V200-I299 HydrophobicContact CG1-CG1 4.17Å; T202-I299 HydrophobicContact CG2-CD1 3.95Å; T202-I299 HydrophobicContact CG2-CG2 3.71Å; A223-I299 HydrophobicContact CB-CG1 4.44Å; I276-I299 HydrophobicContact CD1-CD1 4.46Å; I294-I299 HydrophobicContact CG2-CD1 4.14Å; R295-I299 PolarHBondContact O-N 3.21Å; R295-I299 VanDerWaalsContact O-N 3.09Å; I299-I301 WeakPolarHBondContact CG2-O 3.47Å; I299-Y302 HydrophobicContact CB-CE1 4.43Å; I299-Y302 HydrophobicContact CB-CE2 3.99Å; I299-Y302 HydrophobicContact CD1-CE1 4.21Å; I299-Y302 HydrophobicContact CG2-CD1 4.39Å; I299-Y302 HydrophobicContact CG2-CD2 4.04Å; I299-Y302 HydrophobicContact CG2-CE1 4.1Å; I299-Y302 HydrophobicContact CG2-CE2 3.69Å; I299-Y302 HydrophobicContact CG2-CG 4.36Å
300	D	98.8	Very high	93.3	Very high	26 Å²	26	32.4 Å²	32.4	14%	0.139	18%	0.178	C	C	.	.			trans	-78.7	-49.4	175.9	-67	-77	0	0	0	111.2	V199 V200 R334 I340 L434	V199-D300 HydrophobicContact CG1-CB 3.88Å; V200-D300 PolarHBondContact N-OD2 2.97Å; V200-D300 WeakPolarHBondContact O-CB 3.48Å; V200-D300 PolarHBondContact O-N 2.81Å; D300-R334 WeakPolarHBondContact O-CD 3.37Å; D300-R334 IonicContact OD1-CZ 2.82Å; D300-R334 IonicContact OD1-NE 3.67Å; D300-R334 PolarHBondContact OD1-NE 3.2Å; D300-R334 IonicContact OD1-NH2 3.3Å; D300-R334 PolarHBondContact OD1-NH2 3.41Å; D300-R334 VanDerWaalsContact OD1-NH2 3.11Å; D300-I340 PolarHBondContact O-N 2.87Å; D300-I340 VanDerWaalsContact O-N 3.07Å; D300-L434 HydrophobicContact CB-CD1 3.77Å
301	I	98.9	Very high	93.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	131.4	-168.6	-49.7	173.6	0	0	0	110.6	V199 V200 V201 T202 I299 I340 V342 A427 I430 A431 L434	V199-I301 HydrophobicContact CG1-CD1 4.24Å; V200-I301 PolarHBondContact O-N 3.28Å; V200-I301 VanDerWaalsContact O-N 3.13Å; V201-I301 CarbonylContact C-O 3.43Å; V201-I301 WeakPolarHBondContact CA-O 3.38Å; V201-I301 HydrophobicContact CG1-CB 4.15Å; V201-I301 HydrophobicContact CG1-CG2 4.34Å; V201-I301 HydrophobicContact CG2-CB 4.2Å; V201-I301 HydrophobicContact CG2-CD1 4.18Å; T202-I301 PolarHBondContact N-O 2.63Å; I299-I301 WeakPolarHBondContact CG2-O 3.47Å; I301-I340 CarbonylContact C-O 3.52Å; I301-I340 WeakPolarHBondContact CA-O 3.27Å; I301-I340 HydrophobicContact CG1-CB 4.41Å; I301-I340 HydrophobicContact CG1-CD1 4.46Å; I301-I340 HydrophobicContact CG2-CG2 4.38Å; I301-V342 HydrophobicContact CG2-CG2 3.84Å; I301-A427 WeakPolarHBondContact CD1-O 3.49Å; I301-A427 HydrophobicContact CG2-CB 3.78Å; I301-I430 HydrophobicContact CD1-CB 3.9Å; I301-I430 HydrophobicContact CD1-CG2 3.62Å; I301-I430 HydrophobicContact CG1-CG2 4.3Å; I301-A431 HydrophobicContact CD1-CB 3.98Å; I301-L434 HydrophobicContact CD1-CD1 3.94Å; I301-L434 HydrophobicContact CG1-CD1 3.9Å
302	Y	98.9	Very high	94.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	116.3	173.1	-63	-104.3	0	0	0	107.7	T202 L204 I294 P296 I299 I340 F341 V342	T202-Y302 HydrophobicContact CG2-CD1 3.41Å; T202-Y302 VanDerWaalsContact CG2-CD1 3.41Å; T202-Y302 HydrophobicContact CG2-CE1 3.87Å; T202-Y302 HydrophobicContact CG2-CG 3.99Å; L204-Y302 HydrophobicContact CD1-CD1 4.21Å; L204-Y302 HydrophobicContact CD2-CD1 4.08Å; L204-Y302 HydrophobicContact CG-CD1 4.34Å; I294-Y302 PolarHBondContact O-OH 3.3Å; P296-Y302 WeakPolarHBondContact CA-OH 3.45Å; I299-Y302 HydrophobicContact CB-CE1 4.43Å; I299-Y302 HydrophobicContact CB-CE2 3.99Å; I299-Y302 HydrophobicContact CD1-CE1 4.21Å; I299-Y302 HydrophobicContact CG2-CD1 4.39Å; I299-Y302 HydrophobicContact CG2-CD2 4.04Å; I299-Y302 HydrophobicContact CG2-CE1 4.1Å; I299-Y302 HydrophobicContact CG2-CE2 3.69Å; I299-Y302 HydrophobicContact CG2-CG 4.36Å; Y302-I340 PolarHBondContact N-O 2.82Å; Y302-F341 HydrophobicContact CD1-CE1 4.3Å; Y302-F341 HydrophobicContact CD2-CD1 4.13Å; Y302-F341 AromaticContact CD2-CE1 3.84Å; Y302-F341 HydrophobicContact CD2-CE1 3.84Å; Y302-F341 HydrophobicContact CD2-CZ 4.45Å; Y302-F341 HydrophobicContact CE2-CE1 4.35Å; Y302-F341 AromaticContact CG-CD1 3.94Å; Y302-F341 HydrophobicContact CG-CD1 3.94Å; Y302-F341 AromaticContact CG-CE1 3.82Å; Y302-F341 HydrophobicContact CG-CE1 3.82Å; Y302-V342 PolarHBondContact O-N 3.4Å
303	S	98.8	Very high	94.4	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.014	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	130	172.4	-166	0	0	0	0	109.4	T202 L204	T202-S303 PolarHBondContact O-N 3.16Å; L204-S303 PolarHBondContact N-O 3.17Å
304	A	96.8	Very high	94.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	149.6	178.1	0	0	0	0	0	111	L204 V342 W343 A344	L204-A304 HydrophobicContact CB-CB 4.14Å; L204-A304 HydrophobicContact CD1-CB 4.41Å; A304-V342 PolarHBondContact N-O 3.42Å; A304-W343 HydrophobicContact CB-CD2 3.78Å; A304-W343 HydrophobicContact CB-CE3 3.67Å; A304-W343 HydrophobicContact CB-CH2 3.44Å; A304-W343 VanDerWaalsContact CB-CH2 3.44Å; A304-W343 HydrophobicContact CB-CZ2 3.55Å; A304-W343 HydrophobicContact CB-CZ3 3.51Å; A304-W343 WeakPolarHBondContact O-CA 3.41Å; A304-A344 PolarHBondContact O-N 3.13Å; A304-A344 VanDerWaalsContact O-N 3.16Å
305	S	93.1	Very high	95.3	Very high	18 Å²	18	36 Å²	36	13%	0.126	19%	0.19	C	C	.	.			trans	-141.2	30.3	-172.2	-66.1	0	0	0	0	112.1	S420	S305-S420 WeakPolarHBondContact OG-CA 3.42Å; S305-S420 PolarHBondContact OG-O 3.09Å
306	W	94.6	Very high	95.6	Very high	30 Å²	30	38.5 Å²	38.5	11%	0.114	21%	0.207	C	C	.	.			trans	-129.1	159.2	-178.2	50.4	-96.3	0	0	0	111	L204 M278 L279 E288 W343 Y360	L204-W306 HydrophobicContact CB-CZ2 4.47Å; L204-W306 HydrophobicContact CD1-CZ2 4.36Å; L204-W306 PolarHBondContact O-NE1 3.12Å; M278-W306 HydrophobicContact CE-CD2 4.32Å; M278-W306 HydrophobicContact CE-CH2 3.97Å; M278-W306 HydrophobicContact CE-CZ2 3.6Å; M278-W306 HydrophobicContact CE-CZ3 4.44Å; M278-W306 HydrophobicContact SD-CD2 4.49Å; M278-W306 HydrophobicContact SD-CZ2 4.11Å; L279-W306 HydrophobicContact CD1-CB 4.18Å; L279-W306 HydrophobicContact CD1-CG 4.32Å; L279-W306 HydrophobicContact CD2-CB 4.08Å; L279-W306 HydrophobicContact CD2-CD2 4.47Å; L279-W306 HydrophobicContact CD2-CG 3.97Å; E288-W306 HydrophobicContact CB-CH2 4.37Å; E288-W306 HydrophobicContact CG-CH2 3.99Å; E288-W306 HydrophobicContact CG-CZ3 4.04Å; W306-W343 HydrophobicContact CD2-CZ2 4.01Å; W306-W343 AromaticContact CE2-CZ2 3.84Å; W306-W343 AromaticContact CE3-CZ2 3.99Å; W306-W343 HydrophobicContact CE3-CZ2 3.99Å; W306-W343 AromaticContact CH2-CH2 3.79Å; W306-W343 HydrophobicContact CH2-CH2 3.79Å; W306-W343 AromaticContact CH2-CZ2 3.7Å; W306-W343 HydrophobicContact CH2-CZ2 3.7Å; W306-W343 AromaticContact CZ2-CH2 3.64Å; W306-W343 HydrophobicContact CZ2-CH2 3.64Å; W306-W343 AromaticContact CZ2-CZ2 3.7Å; W306-W343 HydrophobicContact CZ2-CZ2 3.7Å; W306-W343 HydrophobicContact CZ3-CH2 4.4Å; W306-W343 AromaticContact CZ3-CZ2 3.85Å; W306-W343 HydrophobicContact CZ3-CZ2 3.85Å; W306-W343 PolarHBondContact O-NE1 3.49Å; W306-Y360 HydrophobicContact CH2-CD1 4.49Å; W306-Y360 HydrophobicContact CH2-CE1 4.14Å; W306-Y360 HydrophobicContact CZ3-CD1 4.02Å; W306-Y360 AromaticContact CZ3-CE1 3.6Å; W306-Y360 HydrophobicContact CZ3-CE1 3.6Å; W306-Y360 HydrophobicContact CZ3-CE2 4.4Å; W306-Y360 AromaticContact CZ3-CZ 3.84Å
307	G	94.6	Very high	95.8	Very high	33 Å²	33	38.2 Å²	38.2	34%	0.34	21%	0.206	S	C	.	.			trans	-171	-153.6	-177.9	0	0	0	0	0	110.1
308	P	94.1	Very high	95.8	Very high	30 Å²	30	34.1 Å²	34.1	20%	0.195	18%	0.184	C	C	.	.	S	Bend	trans	-64.9	178.1	167.6	-15.3	31	0	0	0	112.2	D310 T314 D316 D358	P308-D310 PolarHBondContact O-N 2.9Å; P308-T314 HydrophobicContact CB-CG2 3.64Å; P308-D316 HydrophobicContact CB-CB 4.28Å; P308-D316 HydrophobicContact CG-CB 4.12Å; P308-D316 VanDerWaalsContact CG-O 3.29Å; P308-D316 WeakPolarHBondContact CG-O 3.22Å; P308-D358 WeakPolarHBondContact CD-OD1 3Å; P308-D358 HydrophobicContact CG-CB 4.29Å
309	D	91.1	Very high	95.4	Very high	118 Å²	118	31 Å²	31	63%	0.631	18%	0.179	S	C	*	.			trans	-63.5	118.4	171.5	-79.8	-31.6	0	0	0	111.1	D311	D309-D311 HydrophobicContact CB-CB 4.07Å; D309-D311 WeakPolarHBondContact CB-OD2 3.4Å; D309-D311 PolarHBondContact O-N 2.8Å
310	D	94.9	Very high	95	Very high	60 Å²	60	40.1 Å²	40.1	32%	0.321	21%	0.214	S	C	.	.			trans	-65.8	56.6	175.4	-74.3	-9.1	0	0	0	112.4	P308 N347 G348	P308-D310 PolarHBondContact O-N 2.9Å; D310-N347 VanDerWaalsContact CG-N 3.3Å; D310-N347 WeakPolarHBondContact OD2-CA 3.42Å; D310-N347 WeakPolarHBondContact OD2-CB 3.42Å; D310-N347 PolarHBondContact OD2-N 3.02Å; D310-N347 PolarHBondContact OD2-ND2 2.84Å; D310-G348 WeakPolarHBondContact O-CA 3.27Å
311	D	94.4	Very high	94.2	Very high	24 Å²	24	42.1 Å²	42.1	13%	0.128	22%	0.224	C	C	.	.	S	Bend	trans	-121.8	-0.3	-155.7	67.6	22	0	0	0	116.9	D309 K313 T314 D353 L576	D309-D311 HydrophobicContact CB-CB 4.07Å; D309-D311 WeakPolarHBondContact CB-OD2 3.4Å; D309-D311 PolarHBondContact O-N 2.8Å; D311-K313 VanDerWaalsContact C-N 3.31Å; D311-K313 HydrophobicContact CB-CG 4.31Å; D311-K313 VanDerWaalsContact CG-CG 3.42Å; D311-K313 PolarHBondContact O-N 2.84Å; D311-K313 WeakPolarHBondContact OD1-CG 3.18Å; D311-K313 PolarHBondContact OD1-N 3.43Å; D311-K313 WeakPolarHBondContact OD2-CE 3.45Å; D311-K313 IonicContact OD2-NZ 3.97Å; D311-K313 PolarHBondContact OD2-NZ 3.13Å; D311-T314 WeakPolarHBondContact OD1-CB 3.37Å; D311-T314 PolarHBondContact OD1-N 2.78Å; D311-T314 PolarHBondContact OD1-OG1 3.04Å; D311-T314 PolarHBondContact OD2-OG1 2.71Å; D311-D353 PolarHBondContact N-OD2 2.85Å; D311-L576 WeakPolarHBondContact O-CD1 3.39Å
312	G	95.4	Very high	93.6	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.224	C	C	.	.	S	Bend	trans	76.3	8.3	179.5	0	0	0	0	0	115.1	D353 R574 L576 D577	G312-D353 WeakPolarHBondContact CA-OD2 3.09Å; G312-D353 PolarHBondContact N-OD2 3.24Å; G312-R574 WeakPolarHBondContact O-CB 3.25Å; G312-L576 CarbonylContact O-C 3.49Å; G312-D577 PolarHBondContact O-N 2.7Å
313	K	96	Very high	93.2	Very high	106 Å²	106	47.1 Å²	47.1	46%	0.461	25%	0.246	S	C	.	.	S	Bend	trans	-137.7	-28.8	-177.2	57.9	168.8	-173.5	174	0	114.4	D311 R553 R574 D577	D311-K313 VanDerWaalsContact C-N 3.31Å; D311-K313 HydrophobicContact CB-CG 4.31Å; D311-K313 VanDerWaalsContact CG-CG 3.42Å; D311-K313 PolarHBondContact O-N 2.84Å; D311-K313 WeakPolarHBondContact OD1-CG 3.18Å; D311-K313 PolarHBondContact OD1-N 3.43Å; D311-K313 WeakPolarHBondContact OD2-CE 3.45Å; D311-K313 IonicContact OD2-NZ 3.97Å; D311-K313 PolarHBondContact OD2-NZ 3.13Å; K313-R553 PolarHBondContact O-NH2 2.63Å; K313-R574 PolarHBondContact O-NH2 2.74Å; K313-D577 HydrophobicContact CB-CB 4.28Å
314	T	96.1	Very high	92.7	Very high	39 Å²	39	51.8 Å²	51.8	24%	0.239	27%	0.268	C	S	.	.			trans	-73.5	150.7	-174.7	-68.8	0	0	0	0	111.4	P308 D311 D316 R574	P308-T314 HydrophobicContact CB-CG2 3.64Å; D311-T314 WeakPolarHBondContact OD1-CB 3.37Å; D311-T314 PolarHBondContact OD1-N 2.78Å; D311-T314 PolarHBondContact OD1-OG1 3.04Å; D311-T314 PolarHBondContact OD2-OG1 2.71Å; T314-D316 HydrophobicContact CG2-CB 4.41Å; T314-R574 VanDerWaalsContact O-CZ 3.25Å; T314-R574 PolarHBondContact O-NH1 3.33Å; T314-R574 PolarHBondContact O-NH2 3.15Å
315	V	97.7	Very high	92.5	Very high	29 Å²	29	52.4 Å²	52.4	18%	0.176	27%	0.272	C	S	.	.			trans	-144.5	102.4	172.6	179	0	0	0	0	106.1	C357 R553 F583 W586	V315-C357 HydrophobicContact CG2-CB 4.12Å; V315-R553 VanDerWaalsContact CG2-CZ 3.48Å; V315-F583 HydrophobicContact CG1-CD1 4.23Å; V315-F583 HydrophobicContact CG1-CE1 3.93Å; V315-F583 HydrophobicContact CG2-CE1 3.99Å; V315-W586 HydrophobicContact CG1-CD2 3.79Å; V315-W586 HydrophobicContact CG1-CE3 3.69Å; V315-W586 HydrophobicContact CG1-CH2 3.77Å; V315-W586 HydrophobicContact CG1-CZ2 3.87Å; V315-W586 HydrophobicContact CG1-CZ3 3.68Å
316	D	96.1	Very high	92.6	Very high	102 Å²	102	51.6 Å²	51.6	55%	0.545	27%	0.267	S	S	.	.	B	Isolated β-bridge	trans	-155.4	170.8	-178.2	-155.2	1.4	0	0	0	110.9	P308 T314 C357 G359 W586	P308-D316 HydrophobicContact CB-CB 4.28Å; P308-D316 HydrophobicContact CG-CB 4.12Å; P308-D316 VanDerWaalsContact CG-O 3.29Å; P308-D316 WeakPolarHBondContact CG-O 3.22Å; T314-D316 HydrophobicContact CG2-CB 4.41Å; D316-C357 PolarHBondContact N-O 2.94Å; D316-G359 PolarHBondContact O-N 3.18Å; D316-W586 WeakPolarHBondContact O-CH2 3.04Å
317	G	94.9	Very high	92.6	Very high	7 Å²	7	53.7 Å²	53.7	7%	0.072	28%	0.278	C	S	.	.			trans	-175.1	-169	-179	0	0	0	0	0	112.5	G319	G317-G319 PolarHBondContact O-N 3.03Å
318	P	93.3	Very high	92.5	Very high	3 Å²	3	58.2 Å²	58.2	2%	0.019	29%	0.286	C	S	.	.			trans	-56.7	131.5	-169.4	17.8	-28.6	0	0	0	111.7	A322 K323 F326 G359 Y360	P318-A322 HydrophobicContact CB-CB 3.62Å; P318-K323 HydrophobicContact CB-CG 3.94Å; P318-K323 HydrophobicContact CG-CG 3.91Å; P318-K323 WeakPolarHBondContact O-CD 3.23Å; P318-K323 VanDerWaalsContact O-CE 3.31Å; P318-K323 WeakPolarHBondContact O-CE 3.44Å; P318-K323 PolarHBondContact O-NZ 3.13Å; P318-F326 HydrophobicContact CB-CD2 4.28Å; P318-F326 HydrophobicContact CB-CE2 3.98Å; P318-F326 HydrophobicContact CG-CD2 4.4Å; P318-F326 HydrophobicContact CG-CE2 4.09Å; P318-G359 VanDerWaalsContact CD-O 3.26Å; P318-G359 WeakPolarHBondContact CD-O 3.45Å; P318-Y360 WeakPolarHBondContact CA-OH 3.23Å; P318-Y360 HydrophobicContact CB-CD1 3.92Å; P318-Y360 HydrophobicContact CB-CE1 3.48Å; P318-Y360 VanDerWaalsContact CB-CE1 3.48Å; P318-Y360 HydrophobicContact CG-CD1 3.99Å; P318-Y360 HydrophobicContact CG-CE1 4.03Å
319	G	87.6	Confident	92.6	Very high	24 Å²	24	56.9 Å²	56.9	25%	0.247	28%	0.277	C	S	.	.			trans	-64.9	-169.9	176	0	0	0	0	0	112.9	D285 G317 L321 K323	D285-G319 WeakPolarHBondContact OD1-CA 3.42Å; G317-G319 PolarHBondContact O-N 3.03Å; G319-L321 VanDerWaalsContact C-N 3.35Å; G319-L321 PolarHBondContact O-N 2.98Å; G319-K323 WeakPolarHBondContact O-CB 3.44Å; G319-K323 WeakPolarHBondContact O-CG 3.46Å; G319-K323 PolarHBondContact O-N 2.98Å
320	R	89.5	Confident	92.8	Very high	191 Å²	191	51.8 Å²	51.8	72%	0.721	25%	0.249	S	C	*	.	H	α-helix	trans	-66.7	-41.4	-176.1	179.5	178.3	174.1	-178.1	-0.2	110.9	D285 Q324	D285-R320 PolarHBondContact OD1-N 2.94Å; D285-R320 PolarHBondContact OD2-N 3.34Å; R320-Q324 VanDerWaalsContact O-CG 3.3Å; R320-Q324 WeakPolarHBondContact O-CG 3.37Å; R320-Q324 PolarHBondContact O-N 2.58Å
321	L	81.5	Confident	92.8	Very high	68 Å²	68	53.9 Å²	53.9	36%	0.356	26%	0.256	S	S	.	.	H	α-helix	trans	-76.1	-40.5	-177.8	-55.1	174.8	0	0	0	110.4	D285 V286 A289 G319 Q324 A325	D285-L321 VanDerWaalsContact CG-N 3.33Å; D285-L321 WeakPolarHBondContact OD1-CA 3.09Å; D285-L321 WeakPolarHBondContact OD1-CB 3.17Å; D285-L321 PolarHBondContact OD1-N 3.43Å; D285-L321 WeakPolarHBondContact OD2-CG 3.34Å; D285-L321 PolarHBondContact OD2-N 2.97Å; V286-L321 HydrophobicContact CB-CD1 4.49Å; V286-L321 HydrophobicContact CG2-CD1 3.65Å; A289-L321 VanDerWaalsContact CB-C 3.44Å; A289-L321 HydrophobicContact CB-CB 3.49Å; A289-L321 VanDerWaalsContact CB-CB 3.49Å; A289-L321 WeakPolarHBondContact CB-O 3.41Å; G319-L321 VanDerWaalsContact C-N 3.35Å; G319-L321 PolarHBondContact O-N 2.98Å; L321-Q324 CarbonylContact O-C 3.56Å; L321-Q324 PolarHBondContact O-N 3.36Å; L321-A325 WeakPolarHBondContact O-CB 3.13Å; L321-A325 PolarHBondContact O-N 2.88Å
322	A	86.6	Confident	92.7	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-62.8	-42.9	176.3	0	0	0	0	0	111.8	D285 E288 L292 P318 Q324 A325 F326	D285-A322 PolarHBondContact OD1-N 2.84Å; E288-A322 HydrophobicContact CB-CB 3.94Å; E288-A322 WeakPolarHBondContact OE2-CB 3.32Å; L292-A322 HydrophobicContact CD1-CB 4.14Å; P318-A322 HydrophobicContact CB-CB 3.62Å; A322-Q324 VanDerWaalsContact C-N 3.34Å; A322-Q324 PolarHBondContact O-N 3.19Å; A322-A325 WeakPolarHBondContact O-CB 3.31Å; A322-A325 PolarHBondContact O-N 2.95Å; A322-A325 VanDerWaalsContact O-N 3.14Å; A322-F326 VanDerWaalsContact O-CD2 3.25Å; A322-F326 WeakPolarHBondContact O-CD2 3.39Å; A322-F326 PolarHBondContact O-N 3.16Å
323	K	90.6	Very high	92.8	Very high	106 Å²	106	58.6 Å²	58.6	46%	0.461	28%	0.275	S	S	.	.	H	α-helix	trans	-59.1	-43	171.1	-77.9	174.8	169.9	116.6	0	112.1	P318 G319 A325 F326 E327	P318-K323 HydrophobicContact CB-CG 3.94Å; P318-K323 HydrophobicContact CG-CG 3.91Å; P318-K323 WeakPolarHBondContact O-CD 3.23Å; P318-K323 VanDerWaalsContact O-CE 3.31Å; P318-K323 WeakPolarHBondContact O-CE 3.44Å; P318-K323 PolarHBondContact O-NZ 3.13Å; G319-K323 WeakPolarHBondContact O-CB 3.44Å; G319-K323 WeakPolarHBondContact O-CG 3.46Å; G319-K323 PolarHBondContact O-N 2.98Å; K323-A325 VanDerWaalsContact C-N 3.33Å; K323-A325 PolarHBondContact O-N 3.29Å; K323-F326 PolarHBondContact O-N 3.01Å; K323-E327 PolarHBondContact O-N 3.39Å
324	Q	88.1	Confident	92.8	Very high	100 Å²	100	54.3 Å²	54.3	47%	0.467	26%	0.256	S	S	.	.	H	α-helix	trans	-66.4	-32	174.8	-73.5	-176.6	-43.9	0	0	113	R320 L321 A322 Y328	R320-Q324 VanDerWaalsContact O-CG 3.3Å; R320-Q324 WeakPolarHBondContact O-CG 3.37Å; R320-Q324 PolarHBondContact O-N 2.58Å; L321-Q324 CarbonylContact O-C 3.56Å; L321-Q324 PolarHBondContact O-N 3.36Å; A322-Q324 VanDerWaalsContact C-N 3.34Å; A322-Q324 PolarHBondContact O-N 3.19Å; Q324-Y328 WeakPolarHBondContact O-CB 3.48Å; Q324-Y328 PolarHBondContact O-N 2.86Å
325	A	92.1	Very high	92.8	Very high	12 Å²	12	61 Å²	61	10%	0.099	29%	0.285	C	S	.	.	H	α-helix	trans	-70.8	-42.8	175.5	0	0	0	0	0	112.1	A289 L292 L321 A322 K323 Y328 G329	A289-A325 HydrophobicContact CB-CB 4.12Å; L292-A325 HydrophobicContact CB-CB 3.74Å; L292-A325 HydrophobicContact CD1-CB 4.26Å; L321-A325 WeakPolarHBondContact O-CB 3.13Å; L321-A325 PolarHBondContact O-N 2.88Å; A322-A325 WeakPolarHBondContact O-CB 3.31Å; A322-A325 PolarHBondContact O-N 2.95Å; A322-A325 VanDerWaalsContact O-N 3.14Å; K323-A325 VanDerWaalsContact C-N 3.33Å; K323-A325 PolarHBondContact O-N 3.29Å; A325-Y328 PolarHBondContact O-N 2.97Å; A325-G329 PolarHBondContact O-N 2.79Å
326	F	95.9	Very high	92.7	Very high	1 Å²	1	61.8 Å²	61.8	0%	0.004	30%	0.299	C	S	.	.	H	α-helix	trans	-58.7	-49	170.3	-78.1	-64.4	0	0	0	111.6	L292 P318 A322 K323 Y328 G329 I330 F341 W343 Y360 Y365 T366	L292-F326 HydrophobicContact CD1-CD1 4.45Å; L292-F326 HydrophobicContact CD1-CD2 3.89Å; L292-F326 HydrophobicContact CD1-CE1 4.23Å; L292-F326 HydrophobicContact CD1-CE2 3.63Å; L292-F326 HydrophobicContact CD1-CG 4.3Å; L292-F326 HydrophobicContact CD1-CZ 3.82Å; L292-F326 HydrophobicContact CD2-CD1 4.14Å; L292-F326 HydrophobicContact CD2-CE1 3.59Å; L292-F326 HydrophobicContact CD2-CE2 4.42Å; L292-F326 HydrophobicContact CD2-CZ 3.75Å; L292-F326 HydrophobicContact CG-CZ 4.47Å; P318-F326 HydrophobicContact CB-CD2 4.28Å; P318-F326 HydrophobicContact CB-CE2 3.98Å; P318-F326 HydrophobicContact CG-CD2 4.4Å; P318-F326 HydrophobicContact CG-CE2 4.09Å; A322-F326 VanDerWaalsContact O-CD2 3.25Å; A322-F326 WeakPolarHBondContact O-CD2 3.39Å; A322-F326 PolarHBondContact O-N 3.16Å; K323-F326 PolarHBondContact O-N 3.01Å; F326-Y328 VanDerWaalsContact C-N 3.31Å; F326-Y328 PolarHBondContact O-N 3.4Å; F326-G329 PolarHBondContact O-N 3.14Å; F326-I330 VanDerWaalsContact O-CG1 3.3Å; F326-I330 WeakPolarHBondContact O-CG1 3.36Å; F326-I330 PolarHBondContact O-N 3.18Å; F326-F341 HydrophobicContact CD1-CD1 4.12Å; F326-F341 AromaticContact CD1-CD2 3.77Å; F326-F341 HydrophobicContact CD1-CD2 3.77Å; F326-F341 HydrophobicContact CD1-CE1 4.3Å; F326-F341 AromaticContact CD1-CE2 3.94Å; F326-F341 HydrophobicContact CD1-CE2 3.94Å; F326-F341 AromaticContact CD1-CG 3.86Å; F326-F341 HydrophobicContact CD1-CG 3.86Å; F326-F341 HydrophobicContact CD1-CZ 4.21Å; F326-F341 HydrophobicContact CE1-CB 4.07Å; F326-F341 AromaticContact CE1-CD1 3.89Å; F326-F341 HydrophobicContact CE1-CD1 3.89Å; F326-F341 HydrophobicContact CE1-CD2 4.16Å; F326-F341 HydrophobicContact CE1-CE1 4.4Å; F326-F341 AromaticContact CE1-CG 3.76Å; F326-F341 HydrophobicContact CE1-CG 3.76Å; F326-W343 HydrophobicContact CE1-CE3 4.4Å; F326-W343 HydrophobicContact CE1-CH2 4.31Å; F326-W343 AromaticContact CE1-CZ3 3.79Å; F326-W343 HydrophobicContact CE1-CZ3 3.79Å; F326-W343 HydrophobicContact CZ-CE3 4.36Å; F326-W343 AromaticContact CZ-CH2 3.78Å; F326-W343 HydrophobicContact CZ-CH2 3.78Å; F326-W343 HydrophobicContact CZ-CZ2 4.49Å; F326-W343 AromaticContact CZ-CZ3 3.69Å; F326-W343 HydrophobicContact CZ-CZ3 3.69Å; F326-Y360 AromaticContact CE2-CD1 3.99Å; F326-Y360 HydrophobicContact CE2-CD1 3.99Å; F326-Y360 HydrophobicContact CE2-CE1 4.45Å; F326-Y360 HydrophobicContact CZ-CD1 4.19Å; F326-Y365 HydrophobicContact CB-CD2 3.77Å; F326-Y365 HydrophobicContact CB-CG 4.32Å; F326-T366 HydrophobicContact CD1-CG2 4.5Å; F326-T366 HydrophobicContact CE1-CG2 3.71Å; F326-T366 HydrophobicContact CZ-CG2 4Å
327	E	93.8	Very high	92.8	Very high	75 Å²	75	58.8 Å²	58.8	35%	0.35	28%	0.283	S	S	.	.	H	α-helix	trans	-59.2	-40.4	176.5	-83.3	-166.1	-128.3	0	0	112.6	K323 K331 Y365	K323-E327 PolarHBondContact O-N 3.39Å; E327-K331 WeakPolarHBondContact O-CB 3.31Å; E327-K331 WeakPolarHBondContact O-CD 3.5Å; E327-K331 WeakPolarHBondContact O-CG 3.35Å; E327-K331 PolarHBondContact O-N 3.06Å; E327-K331 VanDerWaalsContact O-N 3.13Å; E327-K331 IonicContact OE2-NZ 2.7Å; E327-K331 PolarHBondContact OE2-NZ 2.87Å; E327-Y365 HydrophobicContact CG-CE2 3.91Å
328	Y	93.5	Very high	93	Very high	128 Å²	128	58.5 Å²	58.5	50%	0.502	28%	0.279	S	S	.	.	H	α-helix	trans	-66.8	-45.1	175.5	-173.8	-87	0	0	0	111.1	P296 Q324 A325 F326 K331 K332 G333	P296-Y328 HydrophobicContact CG-CD1 4.21Å; P296-Y328 HydrophobicContact CG-CE1 3.87Å; Q324-Y328 WeakPolarHBondContact O-CB 3.48Å; Q324-Y328 PolarHBondContact O-N 2.86Å; A325-Y328 PolarHBondContact O-N 2.97Å; F326-Y328 VanDerWaalsContact C-N 3.31Å; F326-Y328 PolarHBondContact O-N 3.4Å; Y328-K331 PolarHBondContact O-N 2.73Å; Y328-K332 HydrophobicContact CD1-CB 4.26Å; Y328-K332 HydrophobicContact CD2-CB 4.34Å; Y328-K332 HydrophobicContact CD2-CG 4.13Å; Y328-K332 HydrophobicContact CE1-CB 3.95Å; Y328-K332 HydrophobicContact CE2-CB 4.04Å; Y328-K332 HydrophobicContact CE2-CG 3.92Å; Y328-K332 HydrophobicContact CG-CB 4.44Å; Y328-K332 WeakPolarHBondContact O-CA 3.46Å; Y328-K332 WeakPolarHBondContact O-CB 3.25Å; Y328-K332 PolarHBondContact O-N 2.93Å; Y328-G333 PolarHBondContact O-N 2.86Å
329	G	95.4	Very high	93.2	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.01	28%	0.278	C	S	.	.	H	α-helix	trans	-54.4	-55	176.9	0	0	0	0	0	112	A325 F326 K331 G333 G338 S339	A325-G329 PolarHBondContact O-N 2.79Å; F326-G329 PolarHBondContact O-N 3.14Å; G329-K331 PolarHBondContact O-N 2.8Å; G329-G333 VanDerWaalsContact O-CA 3.25Å; G329-G333 WeakPolarHBondContact O-CA 3.44Å; G329-G333 PolarHBondContact O-N 3.28Å; G329-G338 CarbonylContact O-C 2.96Å; G329-G338 WeakPolarHBondContact O-CA 3.41Å; G329-S339 PolarHBondContact O-N 3.42Å
330	I	95.8	Very high	93.8	Very high	11 Å²	11	57.3 Å²	57.3	6%	0.056	27%	0.267	C	S	.	.	H	α-helix	trans	-73	-20.8	-177.8	66	105.7	0	0	0	114.3	F326 G338 F341 Y365 W442	F326-I330 VanDerWaalsContact O-CG1 3.3Å; F326-I330 WeakPolarHBondContact O-CG1 3.36Å; F326-I330 PolarHBondContact O-N 3.18Å; I330-G338 WeakPolarHBondContact O-CA 3.44Å; I330-F341 HydrophobicContact CG2-CD2 4.2Å; I330-F341 HydrophobicContact CG2-CE2 4.04Å; I330-Y365 HydrophobicContact CB-CD1 4.37Å; I330-Y365 HydrophobicContact CD1-CD1 3.68Å; I330-Y365 HydrophobicContact CD1-CE1 3.51Å; I330-Y365 HydrophobicContact CG1-CD1 3.6Å; I330-Y365 HydrophobicContact CG1-CE1 3.85Å; I330-Y365 HydrophobicContact CG1-CG 4.22Å; I330-Y365 HydrophobicContact CG2-CD1 4.14Å; I330-Y365 HydrophobicContact CG2-CG 4.3Å; I330-W442 HydrophobicContact CB-CD2 4.08Å; I330-W442 HydrophobicContact CB-CG 4.17Å; I330-W442 HydrophobicContact CB-CZ2 4.4Å; I330-W442 HydrophobicContact CD1-CZ2 3.77Å; I330-W442 HydrophobicContact CG2-CD2 4.06Å; I330-W442 HydrophobicContact CG2-CE3 4.42Å; I330-W442 HydrophobicContact CG2-CG 4.2Å; I330-W442 PolarHBondContact O-NE1 2.82Å
331	K	93.8	Very high	94.2	Very high	105 Å²	105	48.3 Å²	48.3	46%	0.457	23%	0.233	S	C	.	.	H	α-helix	trans	-98.7	-18.9	179.5	-63.9	171.7	-174.1	177.4	0	114.8	E327 Y328 G329	E327-K331 WeakPolarHBondContact O-CB 3.31Å; E327-K331 WeakPolarHBondContact O-CD 3.5Å; E327-K331 WeakPolarHBondContact O-CG 3.35Å; E327-K331 PolarHBondContact O-N 3.06Å; E327-K331 VanDerWaalsContact O-N 3.13Å; E327-K331 IonicContact OE2-NZ 2.7Å; E327-K331 PolarHBondContact OE2-NZ 2.87Å; Y328-K331 PolarHBondContact O-N 2.73Å; G329-K331 PolarHBondContact O-N 2.8Å
332	K	93.9	Very high	95	Very high	123 Å²	123	45 Å²	45	54%	0.535	22%	0.216	S	C	.	.	H	α-helix	trans	-138.7	-19.3	-171.8	-59.7	-64.4	165.2	-155	0	114.9	N297 Y328	N297-K332 PolarHBondContact OD1-O 3.31Å; N297-K332 VanDerWaalsContact OD1-O 3.04Å; Y328-K332 HydrophobicContact CD1-CB 4.26Å; Y328-K332 HydrophobicContact CD2-CB 4.34Å; Y328-K332 HydrophobicContact CD2-CG 4.13Å; Y328-K332 HydrophobicContact CE1-CB 3.95Å; Y328-K332 HydrophobicContact CE2-CB 4.04Å; Y328-K332 HydrophobicContact CE2-CG 3.92Å; Y328-K332 HydrophobicContact CG-CB 4.44Å; Y328-K332 WeakPolarHBondContact O-CA 3.46Å; Y328-K332 WeakPolarHBondContact O-CB 3.25Å; Y328-K332 PolarHBondContact O-N 2.93Å
333	G	95.8	Very high	95.6	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.216	C	C	.	.	S	Bend	trans	-64.7	162.8	172.5	0	0	0	0	0	112.6	P296 Y328 G329 Q335 G336 L337 G338	P296-G333 CarbonylContact O-C 3.26Å; P296-G333 WeakPolarHBondContact O-CA 3.32Å; Y328-G333 PolarHBondContact O-N 2.86Å; G329-G333 VanDerWaalsContact O-CA 3.25Å; G329-G333 WeakPolarHBondContact O-CA 3.44Å; G329-G333 PolarHBondContact O-N 3.28Å; G333-Q335 PolarHBondContact O-N 2.84Å; G333-Q335 VanDerWaalsContact O-N 3.16Å; G333-G336 WeakPolarHBondContact O-CA 3.27Å; G333-G336 PolarHBondContact O-N 3Å; G333-L337 PolarHBondContact O-N 2.03Å; G333-G338 WeakPolarHBondContact O-CA 3.49Å; G333-G338 PolarHBondContact O-N 3.22Å
334	R	97.3	Very high	96	Very high	16 Å²	16	40.3 Å²	40.3	6%	0.06	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	45.6	45.8	-177.7	-58.5	-178.2	70.9	-113.8	-10	112.4	P296 D300 G336 L337 G338 S438 L440	P296-R334 PolarHBondContact O-N 3.06Å; D300-R334 WeakPolarHBondContact O-CD 3.37Å; D300-R334 IonicContact OD1-CZ 2.82Å; D300-R334 IonicContact OD1-NE 3.67Å; D300-R334 PolarHBondContact OD1-NE 3.2Å; D300-R334 IonicContact OD1-NH2 3.3Å; D300-R334 PolarHBondContact OD1-NH2 3.41Å; D300-R334 VanDerWaalsContact OD1-NH2 3.11Å; R334-G336 PolarHBondContact O-N 2.71Å; R334-G336 VanDerWaalsContact O-N 3.14Å; R334-L337 HydrophobicContact CB-CB 3.95Å; R334-L337 WeakPolarHBondContact O-CB 3.45Å; R334-L337 WeakPolarHBondContact O-CG 3.32Å; R334-L337 PolarHBondContact O-N 3.13Å; R334-G338 VanDerWaalsContact CD-O 3.26Å; R334-G338 WeakPolarHBondContact CD-O 3.33Å; R334-S438 PolarHBondContact NH2-O 3.4Å; R334-L440 PolarHBondContact NH1-O 3.48Å
335	Q	95.9	Very high	96.3	Very high	179 Å²	179	35.5 Å²	35.5	84%	0.836	17%	0.174	S	C	*	.	G	3₁₀ helix	trans	59.8	21.5	-179.5	-52.1	176.5	26	0	0	114.4	N297 G333	N297-Q335 WeakPolarHBondContact OD1-CA 3.32Å; N297-Q335 PolarHBondContact OD1-N 3.3Å; G333-Q335 PolarHBondContact O-N 2.84Å; G333-Q335 VanDerWaalsContact O-N 3.16Å
336	G	95.9	Very high	96.4	Very high	46 Å²	46	35.4 Å²	35.4	47%	0.474	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	108.4	-8.4	-176.6	0	0	0	0	0	114.7	G333 R334 G338	G333-G336 WeakPolarHBondContact O-CA 3.27Å; G333-G336 PolarHBondContact O-N 3Å; R334-G336 PolarHBondContact O-N 2.71Å; R334-G336 VanDerWaalsContact O-N 3.14Å; G336-G338 PolarHBondContact O-N 3.35Å
337	L	98.1	Very high	96.4	Very high	39 Å²	39	37.2 Å²	37.2	20%	0.204	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-19.2	171.3	-59	175.9	0	0	0	112.6	G333 R334 S438 Q439 T441 W442	G333-L337 PolarHBondContact O-N 2.03Å; R334-L337 HydrophobicContact CB-CB 3.95Å; R334-L337 WeakPolarHBondContact O-CB 3.45Å; R334-L337 WeakPolarHBondContact O-CG 3.32Å; R334-L337 PolarHBondContact O-N 3.13Å; L337-S438 VanDerWaalsContact CD1-O 3.31Å; L337-S438 WeakPolarHBondContact CD1-O 3.35Å; L337-Q439 WeakPolarHBondContact CD2-O 3.44Å; L337-T441 HydrophobicContact CD2-CG2 4.04Å; L337-T441 CarbonylContact O-C 3.48Å; L337-T441 WeakPolarHBondContact O-CA 3.4Å; L337-T441 VanDerWaalsContact O-CB 3.32Å; L337-T441 WeakPolarHBondContact O-CB 2.98Å; L337-W442 PolarHBondContact O-N 2.8Å
338	G	98.4	Very high	96.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.167	C	C	.	.			trans	86.1	132.2	-179.3	0	0	0	0	0	113.1	G329 I330 G333 R334 G336	G329-G338 CarbonylContact O-C 2.96Å; G329-G338 WeakPolarHBondContact O-CA 3.41Å; I330-G338 WeakPolarHBondContact O-CA 3.44Å; G333-G338 WeakPolarHBondContact O-CA 3.49Å; G333-G338 PolarHBondContact O-N 3.22Å; R334-G338 VanDerWaalsContact CD-O 3.26Å; R334-G338 WeakPolarHBondContact CD-O 3.33Å; G336-G338 PolarHBondContact O-N 3.35Å
339	S	98.6	Very high	96.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.155	C	C	.	.			trans	-59	141	171.6	-62	0	0	0	0	111.2	P296 G329	P296-S339 WeakPolarHBondContact CB-OG 3.06Å; G329-S339 PolarHBondContact O-N 3.42Å
340	I	98.9	Very high	96.4	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.015	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	114.3	-179.6	-64.5	149.7	0	0	0	108.7	D300 I301 Y302 V342 I367 I430 L434 W442 V445	D300-I340 PolarHBondContact O-N 2.87Å; D300-I340 VanDerWaalsContact O-N 3.07Å; I301-I340 CarbonylContact C-O 3.52Å; I301-I340 WeakPolarHBondContact CA-O 3.27Å; I301-I340 HydrophobicContact CG1-CB 4.41Å; I301-I340 HydrophobicContact CG1-CD1 4.46Å; I301-I340 HydrophobicContact CG2-CG2 4.38Å; Y302-I340 PolarHBondContact N-O 2.82Å; I340-V342 HydrophobicContact CG2-CG2 4.12Å; I340-I367 HydrophobicContact CG2-CD1 3.76Å; I340-I430 HydrophobicContact CD1-CG2 4.28Å; I340-I430 HydrophobicContact CG2-CD1 4.27Å; I340-I430 HydrophobicContact CG2-CG2 4.43Å; I340-L434 HydrophobicContact CD1-CD1 3.79Å; I340-L434 HydrophobicContact CD1-CD2 4.14Å; I340-L434 HydrophobicContact CD1-CG 4.42Å; I340-W442 HydrophobicContact CG1-CB 4.31Å; I340-V445 HydrophobicContact CD1-CG2 3.88Å; I340-V445 HydrophobicContact CG1-CG2 4.43Å
341	F	98.9	Very high	96.4	Very high	1 Å²	1	39.8 Å²	39.8	0%	0.004	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	123.2	176.2	-57	-82.4	0	0	0	109.4	L292 Y302 F326 I330 W343 T366 I367	L292-F341 HydrophobicContact CB-CE1 4.43Å; L292-F341 HydrophobicContact CD2-CD1 3.73Å; L292-F341 HydrophobicContact CD2-CE1 3.59Å; Y302-F341 HydrophobicContact CD1-CE1 4.3Å; Y302-F341 HydrophobicContact CD2-CD1 4.13Å; Y302-F341 AromaticContact CD2-CE1 3.84Å; Y302-F341 HydrophobicContact CD2-CE1 3.84Å; Y302-F341 HydrophobicContact CD2-CZ 4.45Å; Y302-F341 HydrophobicContact CE2-CE1 4.35Å; Y302-F341 AromaticContact CG-CD1 3.94Å; Y302-F341 HydrophobicContact CG-CD1 3.94Å; Y302-F341 AromaticContact CG-CE1 3.82Å; Y302-F341 HydrophobicContact CG-CE1 3.82Å; F326-F341 HydrophobicContact CD1-CD1 4.12Å; F326-F341 AromaticContact CD1-CD2 3.77Å; F326-F341 HydrophobicContact CD1-CD2 3.77Å; F326-F341 HydrophobicContact CD1-CE1 4.3Å; F326-F341 AromaticContact CD1-CE2 3.94Å; F326-F341 HydrophobicContact CD1-CE2 3.94Å; F326-F341 AromaticContact CD1-CG 3.86Å; F326-F341 HydrophobicContact CD1-CG 3.86Å; F326-F341 HydrophobicContact CD1-CZ 4.21Å; F326-F341 HydrophobicContact CE1-CB 4.07Å; F326-F341 AromaticContact CE1-CD1 3.89Å; F326-F341 HydrophobicContact CE1-CD1 3.89Å; F326-F341 HydrophobicContact CE1-CD2 4.16Å; F326-F341 HydrophobicContact CE1-CE1 4.4Å; F326-F341 AromaticContact CE1-CG 3.76Å; F326-F341 HydrophobicContact CE1-CG 3.76Å; I330-F341 HydrophobicContact CG2-CD2 4.2Å; I330-F341 HydrophobicContact CG2-CE2 4.04Å; F341-W343 HydrophobicContact CB-CE3 4.34Å; F341-W343 HydrophobicContact CB-CZ3 4.41Å; F341-T366 HydrophobicContact CB-CG2 4.11Å; F341-I367 PolarHBondContact O-N 3.18Å
342	V	98.9	Very high	96.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	128	177.9	-169.7	0	0	0	0	108.3	I301 Y302 A304 I340 V369 A423 V426 A427 I430	I301-V342 HydrophobicContact CG2-CG2 3.84Å; Y302-V342 PolarHBondContact O-N 3.4Å; A304-V342 PolarHBondContact N-O 3.42Å; I340-V342 HydrophobicContact CG2-CG2 4.12Å; V342-V369 HydrophobicContact CG1-CG2 3.71Å; V342-A423 HydrophobicContact CG1-CB 4.01Å; V342-A423 WeakPolarHBondContact CG1-O 3.38Å; V342-V426 HydrophobicContact CG1-CB 3.99Å; V342-V426 HydrophobicContact CG1-CG1 3.88Å; V342-A427 HydrophobicContact CB-CB 4.46Å; V342-A427 HydrophobicContact CG2-CB 4.23Å; V342-I430 HydrophobicContact CG2-CD1 3.82Å
343	W	98.6	Very high	96.6	Very high	1 Å²	1	31.1 Å²	31.1	0%	0.004	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	138.4	-168	-130.4	-89.7	0	0	0	111.6	L292 A304 W306 F326 F341 Y360 T366 I367 V369	L292-W343 HydrophobicContact CD2-CH2 4.01Å; L292-W343 HydrophobicContact CD2-CZ3 4.05Å; A304-W343 HydrophobicContact CB-CD2 3.78Å; A304-W343 HydrophobicContact CB-CE3 3.67Å; A304-W343 HydrophobicContact CB-CH2 3.44Å; A304-W343 VanDerWaalsContact CB-CH2 3.44Å; A304-W343 HydrophobicContact CB-CZ2 3.55Å; A304-W343 HydrophobicContact CB-CZ3 3.51Å; A304-W343 WeakPolarHBondContact O-CA 3.41Å; W306-W343 HydrophobicContact CD2-CZ2 4.01Å; W306-W343 AromaticContact CE2-CZ2 3.84Å; W306-W343 AromaticContact CE3-CZ2 3.99Å; W306-W343 HydrophobicContact CE3-CZ2 3.99Å; W306-W343 AromaticContact CH2-CH2 3.79Å; W306-W343 HydrophobicContact CH2-CH2 3.79Å; W306-W343 AromaticContact CH2-CZ2 3.7Å; W306-W343 HydrophobicContact CH2-CZ2 3.7Å; W306-W343 AromaticContact CZ2-CH2 3.64Å; W306-W343 HydrophobicContact CZ2-CH2 3.64Å; W306-W343 AromaticContact CZ2-CZ2 3.7Å; W306-W343 HydrophobicContact CZ2-CZ2 3.7Å; W306-W343 HydrophobicContact CZ3-CH2 4.4Å; W306-W343 AromaticContact CZ3-CZ2 3.85Å; W306-W343 HydrophobicContact CZ3-CZ2 3.85Å; W306-W343 PolarHBondContact O-NE1 3.49Å; F326-W343 HydrophobicContact CE1-CE3 4.4Å; F326-W343 HydrophobicContact CE1-CH2 4.31Å; F326-W343 AromaticContact CE1-CZ3 3.79Å; F326-W343 HydrophobicContact CE1-CZ3 3.79Å; F326-W343 HydrophobicContact CZ-CE3 4.36Å; F326-W343 AromaticContact CZ-CH2 3.78Å; F326-W343 HydrophobicContact CZ-CH2 3.78Å; F326-W343 HydrophobicContact CZ-CZ2 4.49Å; F326-W343 AromaticContact CZ-CZ3 3.69Å; F326-W343 HydrophobicContact CZ-CZ3 3.69Å; F341-W343 HydrophobicContact CB-CE3 4.34Å; F341-W343 HydrophobicContact CB-CZ3 4.41Å; W343-Y360 HydrophobicContact CH2-CD1 4.45Å; W343-Y360 AromaticContact CZ2-CD1 3.88Å; W343-Y360 HydrophobicContact CZ2-CD1 3.88Å; W343-Y360 HydrophobicContact CZ2-CG 4.17Å; W343-T366 HydrophobicContact CB-CG2 4.39Å; W343-T366 HydrophobicContact CD2-CG2 4.07Å; W343-T366 HydrophobicContact CE3-CG2 3.65Å; W343-T366 HydrophobicContact CG-CG2 4.39Å; W343-T366 HydrophobicContact CZ3-CG2 4.33Å; W343-I367 PolarHBondContact N-O 3.48Å; W343-V369 PolarHBondContact O-N 3.27Å
344	A	98	Very high	96.6	Very high	5 Å²	5	31.1 Å²	31.1	4%	0.041	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	154.6	167.9	0	0	0	0	0	111	A304 T361 A423	A304-A344 PolarHBondContact O-N 3.13Å; A304-A344 VanDerWaalsContact O-N 3.16Å; A344-T361 PolarHBondContact O-OG1 3.04Å; A344-A423 HydrophobicContact CB-CB 4.37Å
345	S	95.6	Very high	96.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.168	C	C	.	.			trans	-92.7	18.9	179.9	83.9	0	0	0	0	114.8	C355 V369 S370 E383	S345-C355 VanDerWaalsContact O-CB 3.27Å; S345-C355 WeakPolarHBondContact O-CB 3.04Å; S345-V369 WeakPolarHBondContact CB-O 3.31Å; S345-V369 PolarHBondContact N-O 3.22Å; S345-S370 WeakPolarHBondContact OG-CB 3.48Å; S345-S370 PolarHBondContact OG-OG 2.99Å; S345-E383 WeakPolarHBondContact O-CB 3.25Å
346	G	94.3	Very high	96.7	Very high	10 Å²	10	21.9 Å²	21.9	10%	0.103	13%	0.128	C	C	.	.			trans	81.5	164.9	-176.7	0	0	0	0	0	114.9	E383 T419	G346-E383 VanDerWaalsContact C-OE1 3.29Å; G346-E383 VanDerWaalsContact CA-OE1 3.32Å; G346-E383 WeakPolarHBondContact CA-OE1 3.24Å; G346-T419 PolarHBondContact N-OG1 3.49Å; G346-T419 WeakPolarHBondContact O-CG2 3.14Å; G346-T419 PolarHBondContact O-OG1 2.74Å
347	N	95.8	Very high	96.8	Very high	38 Å²	38	19.9 Å²	19.9	20%	0.203	11%	0.106	C	C	.	.	S	Bend	trans	-124.5	5.3	-176	-52.9	-92.4	0	0	0	114.3	D310 G349 Y381 E383 G418 T419	D310-N347 VanDerWaalsContact CG-N 3.3Å; D310-N347 WeakPolarHBondContact OD2-CA 3.42Å; D310-N347 WeakPolarHBondContact OD2-CB 3.42Å; D310-N347 PolarHBondContact OD2-N 3.02Å; D310-N347 PolarHBondContact OD2-ND2 2.84Å; N347-G349 PolarHBondContact O-N 2.83Å; N347-G349 VanDerWaalsContact O-N 3.08Å; N347-Y381 CarbonylContact C-O 3.58Å; N347-Y381 WeakPolarHBondContact CA-O 3.18Å; N347-Y381 WeakPolarHBondContact O-CA 3.28Å; N347-Y381 WeakPolarHBondContact O-CB 3.48Å; N347-E383 PolarHBondContact N-OE1 3.04Å; N347-E383 VanDerWaalsContact N-OE1 3.08Å; N347-G418 WeakPolarHBondContact OD1-CA 3.04Å; N347-T419 PolarHBondContact OD1-N 3.39Å; N347-T419 PolarHBondContact OD1-OG1 2.84Å
348	G	95.9	Very high	96.8	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	14.9	-176.7	0	0	0	0	0	115.4	D310 R350 E351 G352 D353 E383	D310-G348 WeakPolarHBondContact O-CA 3.27Å; G348-R350 PolarHBondContact O-N 2.9Å; G348-R350 VanDerWaalsContact O-N 3.1Å; G348-E351 PolarHBondContact O-N 2.93Å; G348-E351 VanDerWaalsContact O-N 3.09Å; G348-G352 PolarHBondContact O-N 3.16Å; G348-D353 PolarHBondContact O-N 2.86Å; G348-E383 WeakPolarHBondContact CA-OE1 3.37Å; G348-E383 PolarHBondContact N-OE1 2.74Å
349	G	93.6	Very high	96.8	Very high	24 Å²	24	19.5 Å²	19.5	25%	0.247	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-16.3	-174.5	0	0	0	0	0	115.7	N347 W380 Y381 L382	N347-G349 PolarHBondContact O-N 2.83Å; N347-G349 VanDerWaalsContact O-N 3.08Å; G349-W380 CarbonylContact C-O 3.5Å; G349-Y381 WeakPolarHBondContact CA-O 3.42Å; G349-Y381 PolarHBondContact N-O 3.13Å; G349-L382 WeakPolarHBondContact CA-O 3.29Å
350	R	93.1	Very high	96.7	Very high	185 Å²	185	20.1 Å²	20.1	70%	0.698	11%	0.11	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-33.9	173.9	164.1	-174.4	-178.3	-135.2	-1.5	112.3	G348 W380	G348-R350 PolarHBondContact O-N 2.9Å; G348-R350 VanDerWaalsContact O-N 3.1Å; R350-W380 HydrophobicContact CB-CE3 4Å; R350-W380 HydrophobicContact CB-CZ3 4.32Å; R350-W380 PolarHBondContact N-O 3.12Å
351	E	94.8	Very high	96.6	Very high	61 Å²	61	20 Å²	20	29%	0.285	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-17	177.5	-71.8	56	-132.7	0	0	110.6	G348 L576	G348-E351 PolarHBondContact O-N 2.93Å; G348-E351 VanDerWaalsContact O-N 3.09Å; E351-L576 HydrophobicContact CB-CD1 4.03Å; E351-L576 VanDerWaalsContact O-CD1 3.32Å; E351-L576 WeakPolarHBondContact O-CD1 3.43Å
352	G	94.4	Very high	96.5	Very high	32 Å²	32	20.4 Å²	20.4	33%	0.33	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.7	32.1	173.7	0	0	0	0	0	112.4	G348	G348-G352 PolarHBondContact O-N 3.16Å
353	D	97.1	Very high	96.5	Very high	13 Å²	13	21.3 Å²	21.3	7%	0.07	12%	0.118	C	C	.	.			trans	-80.5	171	178.3	-141.4	-26.7	0	0	0	113.4	D311 G312 G348 E383 R574	D311-D353 PolarHBondContact N-OD2 2.85Å; G312-D353 WeakPolarHBondContact CA-OD2 3.09Å; G312-D353 PolarHBondContact N-OD2 3.24Å; G348-D353 PolarHBondContact O-N 2.86Å; D353-E383 HydrophobicContact CB-CG 4.05Å; D353-R574 WeakPolarHBondContact OD1-CD 3.46Å; D353-R574 IonicContact OD1-CZ 2.65Å; D353-R574 IonicContact OD1-NE 2.74Å; D353-R574 IonicContact OD1-NH1 3.7Å; D353-R574 PolarHBondContact OD1-NH1 3.09Å; D353-R574 IonicContact OD2-NH1 3.75Å; D353-R574 PolarHBondContact OD2-NH1 2.82Å
354	Y	96.9	Very high	96.5	Very high	1 Å²	1	21.8 Å²	21.8	0%	0.004	12%	0.121	C	C	.	.			trans	-148.6	108.8	-171.4	-156.7	-95.4	0	0	0	109.2	S356 C357 E384 C385 Q569 L571 A572	Y354-S356 PolarHBondContact O-N 2.93Å; Y354-C357 WeakPolarHBondContact O-CB 3.03Å; Y354-C357 PolarHBondContact O-N 3.35Å; Y354-E384 HydrophobicContact CD2-CG 3.91Å; Y354-E384 WeakPolarHBondContact CD2-O 3.26Å; Y354-E384 HydrophobicContact CE2-CB 4.34Å; Y354-E384 HydrophobicContact CE2-CG 3.75Å; Y354-E384 WeakPolarHBondContact CE2-O 3.23Å; Y354-E384 VanDerWaalsContact CG-O 3.28Å; Y354-C385 HydrophobicContact CD1-CB 4.39Å; Y354-C385 HydrophobicContact CE1-CB 4.1Å; Y354-Q569 WeakPolarHBondContact OH-CB 3.27Å; Y354-Q569 WeakPolarHBondContact OH-CG 3.1Å; Y354-Q569 PolarHBondContact OH-O 3.11Å; Y354-Q569 VanDerWaalsContact OH-O 3.06Å; Y354-L571 HydrophobicContact CD1-CD1 4.48Å; Y354-A572 HydrophobicContact CD2-CB 3.21Å; Y354-A572 HydrophobicContact CE2-CB 3.46Å; Y354-A572 VanDerWaalsContact CE2-CB 3.46Å; Y354-A572 HydrophobicContact CG-CB 3.93Å
355	C	97.2	Very high	96.5	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-65.5	-3.6	-164.5	42.2	0	0	0	0	116.2	S345 C357 D358 T361 E383 E384 C385	S345-C355 VanDerWaalsContact O-CB 3.27Å; S345-C355 WeakPolarHBondContact O-CB 3.04Å; C355-C357 PolarHBondContact O-N 2.86Å; C355-D358 PolarHBondContact O-N 3.1Å; C355-T361 HydrophobicContact CB-CG2 3.73Å; C355-T361 VanDerWaalsContact O-CG2 3.27Å; C355-T361 WeakPolarHBondContact O-CG2 3.1Å; C355-E383 WeakPolarHBondContact CA-OE2 3.38Å; C355-E383 HydrophobicContact CB-CB 3.94Å; C355-E383 PolarHBondContact N-OE2 3.31Å; C355-E384 PolarHBondContact N-O 3.27Å; C355-C385 HydrophobicContact CB-CB 3.95Å; C355-C385 WeakPolarHBondContact CB-SG 3.08Å; C355-C385 WeakPolarHBondContact SG-CB 3.13Å; C355-C385 CovalentContact SG-SG 2.03Å; C355-C385 PolarHBondContact SG-SG 3.45Å
356	S	97.4	Very high	96.6	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-74.8	0.6	163.3	-60.9	0	0	0	0	114.4	Y354 N362 C385 L570 W586	Y354-S356 PolarHBondContact O-N 2.93Å; S356-N362 WeakPolarHBondContact CB-OD1 3.27Å; S356-N362 PolarHBondContact OG-OD1 3.08Å; S356-C385 WeakPolarHBondContact OG-CB 3.1Å; S356-L570 VanDerWaalsContact CB-O 3.26Å; S356-L570 WeakPolarHBondContact CB-O 3.48Å; S356-W586 PolarHBondContact O-NE1 2.83Å
357	C	98.3	Very high	96.9	Very high	4 Å²	4	23.6 Å²	23.6	3%	0.027	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-93.5	-12.1	166.6	-71.3	0	0	0	0	113.3	V315 D316 Y354 C355 R574 W586	V315-C357 HydrophobicContact CG2-CB 4.12Å; D316-C357 PolarHBondContact N-O 2.94Å; Y354-C357 WeakPolarHBondContact O-CB 3.03Å; Y354-C357 PolarHBondContact O-N 3.35Å; C355-C357 PolarHBondContact O-N 2.86Å; C357-R574 VanDerWaalsContact SG-CZ 3.55Å; C357-W586 WeakPolarHBondContact O-CZ2 3.4Å
358	D	98.2	Very high	97	Very high	18 Å²	18	21.8 Å²	21.8	10%	0.096	12%	0.115	C	C	.	.	B	Isolated β-bridge	trans	-91.2	112.8	166.4	165.2	28.3	0	0	0	109.7	P308 C355 Y360 T361 N362	P308-D358 WeakPolarHBondContact CD-OD1 3Å; P308-D358 HydrophobicContact CG-CB 4.29Å; C355-D358 PolarHBondContact O-N 3.1Å; D358-Y360 VanDerWaalsContact C-N 3.26Å; D358-Y360 PolarHBondContact O-N 3.27Å; D358-Y360 WeakPolarHBondContact OD1-CB 3.4Å; D358-Y360 WeakPolarHBondContact OD1-CD2 3.15Å; D358-Y360 PolarHBondContact OD1-N 2.77Å; D358-T361 HydrophobicContact CB-CG2 3.93Å; D358-T361 WeakPolarHBondContact OD2-CB 3.39Å; D358-T361 WeakPolarHBondContact OD2-CG2 3.27Å; D358-T361 PolarHBondContact OD2-N 2.69Å; D358-N362 WeakPolarHBondContact O-CB 3.07Å; D358-N362 PolarHBondContact O-N 3.49Å; D358-N362 VanDerWaalsContact O-N 3.07Å
359	G	97.6	Very high	97.1	Very high	13 Å²	13	21.8 Å²	21.8	13%	0.134	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-9.6	178.8	0	0	0	0	0	115.4	D316 P318	D316-G359 PolarHBondContact O-N 3.18Å; P318-G359 VanDerWaalsContact CD-O 3.26Å; P318-G359 WeakPolarHBondContact CD-O 3.45Å
360	Y	97.9	Very high	97.3	Very high	13 Å²	13	20.7 Å²	20.7	5%	0.051	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-62	170.4	-60.2	-86	0	0	0	109.7	E288 W306 P318 F326 W343 D358 N362 S363 T366	E288-Y360 PolarHBondContact OE1-OH 3.48Å; E288-Y360 VanDerWaalsContact OE1-OH 3.13Å; E288-Y360 PolarHBondContact OE2-OH 3.4Å; W306-Y360 HydrophobicContact CH2-CD1 4.49Å; W306-Y360 HydrophobicContact CH2-CE1 4.14Å; W306-Y360 HydrophobicContact CZ3-CD1 4.02Å; W306-Y360 AromaticContact CZ3-CE1 3.6Å; W306-Y360 HydrophobicContact CZ3-CE1 3.6Å; W306-Y360 HydrophobicContact CZ3-CE2 4.4Å; W306-Y360 AromaticContact CZ3-CZ 3.84Å; P318-Y360 WeakPolarHBondContact CA-OH 3.23Å; P318-Y360 HydrophobicContact CB-CD1 3.92Å; P318-Y360 HydrophobicContact CB-CE1 3.48Å; P318-Y360 VanDerWaalsContact CB-CE1 3.48Å; P318-Y360 HydrophobicContact CG-CD1 3.99Å; P318-Y360 HydrophobicContact CG-CE1 4.03Å; F326-Y360 AromaticContact CE2-CD1 3.99Å; F326-Y360 HydrophobicContact CE2-CD1 3.99Å; F326-Y360 HydrophobicContact CE2-CE1 4.45Å; F326-Y360 HydrophobicContact CZ-CD1 4.19Å; W343-Y360 HydrophobicContact CH2-CD1 4.45Å; W343-Y360 AromaticContact CZ2-CD1 3.88Å; W343-Y360 HydrophobicContact CZ2-CD1 3.88Å; W343-Y360 HydrophobicContact CZ2-CG 4.17Å; D358-Y360 VanDerWaalsContact C-N 3.26Å; D358-Y360 PolarHBondContact O-N 3.27Å; D358-Y360 WeakPolarHBondContact OD1-CB 3.4Å; D358-Y360 WeakPolarHBondContact OD1-CD2 3.15Å; D358-Y360 PolarHBondContact OD1-N 2.77Å; Y360-N362 VanDerWaalsContact C-N 3.27Å; Y360-N362 PolarHBondContact O-N 2.9Å; Y360-S363 WeakPolarHBondContact O-CB 3.46Å; Y360-S363 PolarHBondContact O-N 2.86Å; Y360-T366 PolarHBondContact O-OG1 2.79Å
361	T	96.6	Very high	97.5	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-21.6	-177.7	-149.4	0	0	0	0	113.6	A344 C355 D358 S363 S368	A344-T361 PolarHBondContact O-OG1 3.04Å; C355-T361 HydrophobicContact CB-CG2 3.73Å; C355-T361 VanDerWaalsContact O-CG2 3.27Å; C355-T361 WeakPolarHBondContact O-CG2 3.1Å; D358-T361 HydrophobicContact CB-CG2 3.93Å; D358-T361 WeakPolarHBondContact OD2-CB 3.39Å; D358-T361 WeakPolarHBondContact OD2-CG2 3.27Å; D358-T361 PolarHBondContact OD2-N 2.69Å; T361-S363 VanDerWaalsContact C-N 3.33Å; T361-S368 WeakPolarHBondContact O-CB 3.41Å; T361-S368 WeakPolarHBondContact OG1-CB 3.14Å; T361-S368 PolarHBondContact OG1-OG 3.29Å
362	N	97	Very high	97.5	Very high	10 Å²	10	9 Å²	9	5%	0.053	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-1.3	172.3	-179.9	92.8	0	0	0	113.4	S356 D358 Y360 E587 M589	S356-N362 WeakPolarHBondContact CB-OD1 3.27Å; S356-N362 PolarHBondContact OG-OD1 3.08Å; D358-N362 WeakPolarHBondContact O-CB 3.07Å; D358-N362 PolarHBondContact O-N 3.49Å; D358-N362 VanDerWaalsContact O-N 3.07Å; Y360-N362 VanDerWaalsContact C-N 3.27Å; Y360-N362 PolarHBondContact O-N 2.9Å; N362-E587 PolarHBondContact ND2-O 2.9Å; N362-M589 WeakPolarHBondContact O-CB 3.5Å; N362-M589 WeakPolarHBondContact O-CE 3.36Å; N362-M589 WeakPolarHBondContact OD1-CB 3.22Å; N362-M589 PolarHBondContact OD1-N 3.44Å
363	S	98.1	Very high	97.5	Very high	19 Å²	19	7.6 Å²	7.6	13%	0.133	4%	0.042	C	C	.	.			trans	-70.1	143.8	176.2	-179	0	0	0	0	112.3	Y360 T361 Y365 T366	Y360-S363 WeakPolarHBondContact O-CB 3.46Å; Y360-S363 PolarHBondContact O-N 2.86Å; T361-S363 VanDerWaalsContact C-N 3.33Å; S363-Y365 PolarHBondContact O-N 3.33Å; S363-Y365 WeakPolarHBondContact OG-CD2 3.39Å; S363-Y365 PolarHBondContact OG-N 3.01Å; S363-T366 WeakPolarHBondContact CB-OG1 3.16Å; S363-T366 PolarHBondContact O-N 2.88Å; S363-T366 PolarHBondContact O-OG1 2.79Å
364	I	98.4	Very high	97	Very high	12 Å²	12	9.1 Å²	9.1	6%	0.062	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-23.7	172.4	69.4	175.2	0	0	0	112.3	T366 W442 Q446 H541 V543 M589 Y630	I364-T366 VanDerWaalsContact C-N 3.3Å; I364-T366 PolarHBondContact O-N 2.77Å; I364-W442 WeakPolarHBondContact O-CZ3 2.71Å; I364-Q446 PolarHBondContact O-NE2 2.8Å; I364-Q446 VanDerWaalsContact O-NE2 3.13Å; I364-H541 HydrophobicContact CB-CB 4.23Å; I364-H541 HydrophobicContact CG2-CB 3.52Å; I364-H541 PolarHBondContact O-NE2 2.82Å; I364-V543 HydrophobicContact CG2-CG2 4.03Å; I364-M589 HydrophobicContact CG2-CG 3.84Å; I364-Y630 HydrophobicContact CD1-CD1 3.83Å; I364-Y630 HydrophobicContact CD1-CD2 4.22Å; I364-Y630 HydrophobicContact CD1-CE1 3.61Å; I364-Y630 HydrophobicContact CD1-CE2 4.03Å; I364-Y630 HydrophobicContact CD1-CG 4.13Å
365	Y	98.3	Very high	96.6	Very high	43 Å²	43	12.6 Å²	12.6	17%	0.169	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-11.9	-176.8	-52	-47.5	0	0	0	113.2	F326 E327 I330 S363 W442	F326-Y365 HydrophobicContact CB-CD2 3.77Å; F326-Y365 HydrophobicContact CB-CG 4.32Å; E327-Y365 HydrophobicContact CG-CE2 3.91Å; I330-Y365 HydrophobicContact CB-CD1 4.37Å; I330-Y365 HydrophobicContact CD1-CD1 3.68Å; I330-Y365 HydrophobicContact CD1-CE1 3.51Å; I330-Y365 HydrophobicContact CG1-CD1 3.6Å; I330-Y365 HydrophobicContact CG1-CE1 3.85Å; I330-Y365 HydrophobicContact CG1-CG 4.22Å; I330-Y365 HydrophobicContact CG2-CD1 4.14Å; I330-Y365 HydrophobicContact CG2-CG 4.3Å; S363-Y365 PolarHBondContact O-N 3.33Å; S363-Y365 WeakPolarHBondContact OG-CD2 3.39Å; S363-Y365 PolarHBondContact OG-N 3.01Å; Y365-W442 HydrophobicContact CD1-CH2 4.17Å; Y365-W442 HydrophobicContact CD1-CZ3 4.49Å
366	T	98.6	Very high	96.3	Very high	7 Å²	7	12.6 Å²	12.6	4%	0.043	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	142.5	-178.7	48.9	0	0	0	0	111.7	F326 F341 W343 Y360 S363 I364 S368	F326-T366 HydrophobicContact CD1-CG2 4.5Å; F326-T366 HydrophobicContact CE1-CG2 3.71Å; F326-T366 HydrophobicContact CZ-CG2 4Å; F341-T366 HydrophobicContact CB-CG2 4.11Å; W343-T366 HydrophobicContact CB-CG2 4.39Å; W343-T366 HydrophobicContact CD2-CG2 4.07Å; W343-T366 HydrophobicContact CE3-CG2 3.65Å; W343-T366 HydrophobicContact CG-CG2 4.39Å; W343-T366 HydrophobicContact CZ3-CG2 4.33Å; Y360-T366 PolarHBondContact O-OG1 2.79Å; S363-T366 WeakPolarHBondContact CB-OG1 3.16Å; S363-T366 PolarHBondContact O-N 2.88Å; S363-T366 PolarHBondContact O-OG1 2.79Å; I364-T366 VanDerWaalsContact C-N 3.3Å; I364-T366 PolarHBondContact O-N 2.77Å; T366-S368 PolarHBondContact O-N 3.25Å
367	I	98.8	Very high	96.1	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.01	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	95.7	167.7	-56.2	-176.3	0	0	0	107	I340 F341 W343 V369 L389 V426 I430 V445 Q446 L449	I340-I367 HydrophobicContact CG2-CD1 3.76Å; F341-I367 PolarHBondContact O-N 3.18Å; W343-I367 PolarHBondContact N-O 3.48Å; I367-V369 HydrophobicContact CG2-CG2 4.15Å; I367-L389 HydrophobicContact CG2-CD2 4.03Å; I367-V426 HydrophobicContact CG2-CG1 4.42Å; I367-I430 HydrophobicContact CD1-CD1 3.77Å; I367-V445 HydrophobicContact CD1-CB 4.5Å; I367-V445 HydrophobicContact CD1-CG1 3.71Å; I367-Q446 HydrophobicContact CD1-CG 4.17Å; I367-Q446 HydrophobicContact CG1-CG 3.89Å; I367-L449 HydrophobicContact CD1-CD1 4.02Å; I367-L449 HydrophobicContact CG2-CD1 3.66Å
368	S	98.5	Very high	95.9	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.007	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	126.3	175.4	-178	0	0	0	0	110.9	T361 T366 L389 A390	T361-S368 WeakPolarHBondContact O-CB 3.41Å; T361-S368 WeakPolarHBondContact OG1-CB 3.14Å; T361-S368 PolarHBondContact OG1-OG 3.29Å; T366-S368 PolarHBondContact O-N 3.25Å; S368-L389 PolarHBondContact O-N 2.89Å; S368-A390 PolarHBondContact O-N 2.89Å
369	V	98.5	Very high	95.7	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	128.9	-174.9	-172.3	0	0	0	0	110.9	V342 W343 S345 I367 A390 V426	V342-V369 HydrophobicContact CG1-CG2 3.71Å; W343-V369 PolarHBondContact O-N 3.27Å; S345-V369 WeakPolarHBondContact CB-O 3.31Å; S345-V369 PolarHBondContact N-O 3.22Å; I367-V369 HydrophobicContact CG2-CG2 4.15Å; V369-A390 WeakPolarHBondContact CA-O 3.45Å; V369-V426 HydrophobicContact CB-CG2 4.31Å; V369-V426 HydrophobicContact CG1-CB 4.33Å; V369-V426 HydrophobicContact CG1-CG2 3.49Å; V369-V426 VanDerWaalsContact CG1-CG2 3.49Å; V369-V426 HydrophobicContact CG2-CB 3.86Å; V369-V426 HydrophobicContact CG2-CG1 3.94Å; V369-V426 HydrophobicContact CG2-CG2 3.78Å
370	S	97.6	Very high	95.5	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	-176	175.3	-148.2	0	0	0	0	113.1	S345 L382 A390 T391 T392 S422	S345-S370 WeakPolarHBondContact OG-CB 3.48Å; S345-S370 PolarHBondContact OG-OG 2.99Å; S370-L382 WeakPolarHBondContact OG-CD1 3.49Å; S370-L382 VanDerWaalsContact OG-CG 3.28Å; S370-L382 WeakPolarHBondContact OG-CG 3.21Å; S370-A390 PolarHBondContact N-O 2.79Å; S370-T391 WeakPolarHBondContact O-CA 3.42Å; S370-T392 PolarHBondContact O-N 2.88Å; S370-S422 WeakPolarHBondContact O-CB 3.18Å; S370-S422 PolarHBondContact O-OG 2.75Å
371	S	96.9	Very high	95.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	145.5	-167.2	-65.7	0	0	0	0	114.8	P379 L382 T392 S394 T419 S422	S371-P379 WeakPolarHBondContact O-CD 3.28Å; S371-L382 WeakPolarHBondContact O-CD1 3.47Å; S371-T392 CarbonylContact C-O 3.19Å; S371-T392 WeakPolarHBondContact CA-O 3.44Å; S371-S394 WeakPolarHBondContact OG-CB 3.13Å; S371-T419 WeakPolarHBondContact OG-CA 3.46Å; S371-S422 PolarHBondContact OG-OG 2.88Å
372	A	95.5	Very high	95.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	145	165.5	0	0	0	0	0	111.1	T391 T392 Y393 S394 L458 Y476	A372-T391 HydrophobicContact CB-CG2 3.77Å; A372-T392 PolarHBondContact N-O 2.98Å; A372-Y393 WeakPolarHBondContact O-CA 3.47Å; A372-S394 PolarHBondContact O-N 3.44Å; A372-L458 HydrophobicContact CB-CD2 3.38Å; A372-Y476 HydrophobicContact CB-CE1 4.32Å
373	T	93.3	Very high	95.2	Very high	3 Å²	3	26.3 Å²	26.3	2%	0.018	12%	0.115	C	C	.	.			trans	-70.6	166.3	167	82.6	0	0	0	0	111.2	N375 G376 Y377 P379 G396 E400	T373-N375 PolarHBondContact O-N 2.61Å; T373-N375 PolarHBondContact OG1-N 2.74Å; T373-G376 PolarHBondContact O-N 3.16Å; T373-Y377 WeakPolarHBondContact CG2-O 3.39Å; T373-Y377 PolarHBondContact N-O 3.05Å; T373-Y377 PolarHBondContact OG1-N 3.31Å; T373-P379 HydrophobicContact CG2-CB 4.24Å; T373-P379 HydrophobicContact CG2-CG 3.92Å; T373-G396 VanDerWaalsContact CG2-CA 3.41Å; T373-E400 VanDerWaalsContact CB-OE1 3.24Å; T373-E400 WeakPolarHBondContact CB-OE1 3.41Å; T373-E400 WeakPolarHBondContact CB-OE2 3.45Å; T373-E400 WeakPolarHBondContact CG2-OE2 3.37Å; T373-E400 PolarHBondContact OG1-OE1 3.09Å
374	E	87.9	Confident	95	Very high	46 Å²	46	27.8 Å²	27.8	22%	0.215	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.1	-34.3	172.1	179.2	-179.9	-177.5	0	0	114.2	W169 R401	W169-E374 HydrophobicContact CE3-CB 4.28Å; W169-E374 HydrophobicContact CE3-CG 4.02Å; W169-E374 VanDerWaalsContact CH2-CA 3.48Å; W169-E374 HydrophobicContact CH2-CB 3.66Å; W169-E374 HydrophobicContact CH2-CG 4.32Å; W169-E374 HydrophobicContact CZ2-CB 4.19Å; W169-E374 VanDerWaalsContact CZ3-CA 3.5Å; W169-E374 HydrophobicContact CZ3-CB 3.74Å; W169-E374 HydrophobicContact CZ3-CG 3.93Å; E374-R401 VanDerWaalsContact CD-NE 3.34Å; E374-R401 IonicContact OE1-CZ 2.81Å; E374-R401 IonicContact OE1-NE 3.16Å; E374-R401 PolarHBondContact OE1-NE 3.01Å; E374-R401 IonicContact OE1-NH2 3.52Å; E374-R401 PolarHBondContact OE1-NH2 2.76Å; E374-R401 VanDerWaalsContact OE2-CB 3.32Å; E374-R401 WeakPolarHBondContact OE2-CB 3.48Å; E374-R401 WeakPolarHBondContact OE2-CG 3.4Å; E374-R401 PolarHBondContact OE2-N 3.35Å; E374-R401 IonicContact OE2-NE 3.59Å; E374-R401 PolarHBondContact OE2-NE 2.99Å
375	N	87.8	Confident	94.8	Very high	74 Å²	74	27.2 Å²	27.2	40%	0.396	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96	12.4	-179.1	-65	-85.2	0	0	0	113.3	T373 Y377 E400 K459	T373-N375 PolarHBondContact O-N 2.61Å; T373-N375 PolarHBondContact OG1-N 2.74Å; N375-Y377 HydrophobicContact CB-CD2 3.68Å; N375-Y377 HydrophobicContact CB-CE2 3.72Å; N375-E400 PolarHBondContact N-OE1 3.16Å; N375-E400 PolarHBondContact ND2-OE1 3.06Å; N375-K459 WeakPolarHBondContact O-CE 3.16Å; N375-K459 PolarHBondContact O-NZ 2.81Å
376	G	91.4	Very high	94.8	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	11%	0.109	C	C	.	.	S	Bend	trans	70.3	29.9	179.1	0	0	0	0	0	114.4	T373 H457 K459 Y476	T373-G376 PolarHBondContact O-N 3.16Å; G376-H457 VanDerWaalsContact CA-CD2 3.48Å; G376-H457 WeakPolarHBondContact CA-CD2 3.4Å; G376-H457 WeakPolarHBondContact CA-NE2 3.49Å; G376-K459 WeakPolarHBondContact O-CB 3.31Å; G376-K459 PolarHBondContact O-N 3.15Å; G376-Y476 PolarHBondContact O-OH 2.8Å
377	Y	93.3	Very high	94.8	Very high	124 Å²	124	24.9 Å²	24.9	49%	0.486	11%	0.107	S	C	.	.	P	Polyproline II helix	trans	-98.2	161.5	173.9	-67.1	-79.7	0	0	0	111.7	T373 N375 P379 K459	T373-Y377 WeakPolarHBondContact CG2-O 3.39Å; T373-Y377 PolarHBondContact N-O 3.05Å; T373-Y377 PolarHBondContact OG1-N 3.31Å; N375-Y377 HydrophobicContact CB-CD2 3.68Å; N375-Y377 HydrophobicContact CB-CE2 3.72Å; Y377-P379 VanDerWaalsContact O-CD 3.31Å; Y377-P379 WeakPolarHBondContact O-CD 3.29Å; Y377-K459 HydrophobicContact CD1-CB 4.35Å; Y377-K459 HydrophobicContact CD1-CD 3.82Å; Y377-K459 HydrophobicContact CD2-CD 4.45Å; Y377-K459 HydrophobicContact CE1-CB 4.48Å; Y377-K459 HydrophobicContact CE1-CD 3.39Å; Y377-K459 HydrophobicContact CE2-CD 4.07Å; Y377-K459 VanDerWaalsContact CE2-NZ 3.27Å; Y377-K459 HydrophobicContact CG-CD 4.33Å; Y377-K459 PolarHBondContact OH-NZ 3.27Å; Y377-K459 VanDerWaalsContact OH-NZ 3.14Å
378	K	94.1	Very high	94.8	Very high	58 Å²	58	24.8 Å²	24.8	25%	0.252	11%	0.107	S	C	.	.	P	Polyproline II helix	trans	-65.4	119.7	167.5	169.5	167.3	172.5	151.7	0	108.6	L382 E384 F475 Y476	K378-L382 HydrophobicContact CD-CB 4.47Å; K378-L382 HydrophobicContact CD-CD2 3.74Å; K378-L382 WeakPolarHBondContact CE-O 3.35Å; K378-L382 HydrophobicContact CG-CB 3.94Å; K378-L382 HydrophobicContact CG-CD1 4.4Å; K378-L382 HydrophobicContact CG-CD2 3.92Å; K378-L382 HydrophobicContact CG-CG 4.31Å; K378-L382 PolarHBondContact NZ-O 3.13Å; K378-E384 IonicContact NZ-OE2 3.16Å; K378-E384 PolarHBondContact NZ-OE2 3.46Å; K378-F475 HydrophobicContact CB-CD2 4.07Å; K378-F475 HydrophobicContact CB-CE2 4.42Å; K378-F475 HydrophobicContact CD-CD1 4.06Å; K378-F475 HydrophobicContact CD-CD2 3.9Å; K378-F475 HydrophobicContact CD-CE1 4.15Å; K378-F475 HydrophobicContact CD-CE2 3.99Å; K378-F475 HydrophobicContact CD-CG 3.96Å; K378-F475 HydrophobicContact CD-CZ 4.11Å; K378-F475 HydrophobicContact CG-CD2 4.49Å; K378-Y476 PolarHBondContact N-OH 3.44Å
379	P	93.9	Very high	94.8	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.006	11%	0.107	C	C	.	.	P	Polyproline II helix	trans	-63	154.2	171.9	-19.8	31.7	0	0	0	112	S371 T373 Y377 Y381 L382	S371-P379 WeakPolarHBondContact O-CD 3.28Å; T373-P379 HydrophobicContact CG2-CB 4.24Å; T373-P379 HydrophobicContact CG2-CG 3.92Å; Y377-P379 VanDerWaalsContact O-CD 3.31Å; Y377-P379 WeakPolarHBondContact O-CD 3.29Å; P379-Y381 HydrophobicContact CB-CD1 3.9Å; P379-Y381 HydrophobicContact CB-CD2 4.27Å; P379-Y381 HydrophobicContact CB-CE1 3.38Å; P379-Y381 HydrophobicContact CB-CE2 3.79Å; P379-Y381 HydrophobicContact CB-CG 4.31Å; P379-Y381 HydrophobicContact CG-CE1 4.36Å; P379-Y381 HydrophobicContact CG-CE2 4.22Å; P379-Y381 PolarHBondContact O-N 2.67Å; P379-L382 HydrophobicContact CB-CB 4.46Å; P379-L382 WeakPolarHBondContact O-CB 3.33Å; P379-L382 PolarHBondContact O-N 2.93Å; P379-L382 VanDerWaalsContact O-N 3.09Å
380	W	92.8	Very high	94.8	Very high	152 Å²	152	24.9 Å²	24.9	58%	0.576	11%	0.107	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67	-19.9	-175.5	62.8	-93.5	0	0	0	114.4	G349 R350	G349-W380 CarbonylContact C-O 3.5Å; R350-W380 HydrophobicContact CB-CE3 4Å; R350-W380 HydrophobicContact CB-CZ3 4.32Å; R350-W380 PolarHBondContact N-O 3.12Å
381	Y	93.2	Very high	94.8	Very high	6 Å²	6	24.9 Å²	24.9	2%	0.024	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-9.2	176.7	53.4	-95.1	0	0	0	112.8	N347 G349 P379 E383 S394 S395 G418 T419	N347-Y381 CarbonylContact C-O 3.58Å; N347-Y381 WeakPolarHBondContact CA-O 3.18Å; N347-Y381 WeakPolarHBondContact O-CA 3.28Å; N347-Y381 WeakPolarHBondContact O-CB 3.48Å; G349-Y381 WeakPolarHBondContact CA-O 3.42Å; G349-Y381 PolarHBondContact N-O 3.13Å; P379-Y381 HydrophobicContact CB-CD1 3.9Å; P379-Y381 HydrophobicContact CB-CD2 4.27Å; P379-Y381 HydrophobicContact CB-CE1 3.38Å; P379-Y381 HydrophobicContact CB-CE2 3.79Å; P379-Y381 HydrophobicContact CB-CG 4.31Å; P379-Y381 HydrophobicContact CG-CE1 4.36Å; P379-Y381 HydrophobicContact CG-CE2 4.22Å; P379-Y381 PolarHBondContact O-N 2.67Å; Y381-E383 PolarHBondContact O-N 3.47Å; Y381-E383 VanDerWaalsContact O-N 3.17Å; Y381-S394 WeakPolarHBondContact OH-CB 3.37Å; Y381-S394 PolarHBondContact OH-OG 3.03Å; Y381-S395 WeakPolarHBondContact CE1-O 3.3Å; Y381-S395 WeakPolarHBondContact CE1-OG 3.31Å; Y381-S395 PolarHBondContact OH-O 3.21Å; Y381-S395 PolarHBondContact OH-OG 2.91Å; Y381-G418 VanDerWaalsContact CE2-CA 3.49Å; Y381-T419 HydrophobicContact CD2-CG2 4.1Å; Y381-T419 HydrophobicContact CE2-CG2 3.97Å
382	L	95.1	Very high	94.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	11%	0.107	C	C	.	.			trans	-68.1	118.6	-171.9	-178.5	149.5	0	0	0	111.8	G349 S370 S371 K378 P379 E384 F475	G349-L382 WeakPolarHBondContact CA-O 3.29Å; S370-L382 WeakPolarHBondContact OG-CD1 3.49Å; S370-L382 VanDerWaalsContact OG-CG 3.28Å; S370-L382 WeakPolarHBondContact OG-CG 3.21Å; S371-L382 WeakPolarHBondContact O-CD1 3.47Å; K378-L382 HydrophobicContact CD-CB 4.47Å; K378-L382 HydrophobicContact CD-CD2 3.74Å; K378-L382 WeakPolarHBondContact CE-O 3.35Å; K378-L382 HydrophobicContact CG-CB 3.94Å; K378-L382 HydrophobicContact CG-CD1 4.4Å; K378-L382 HydrophobicContact CG-CD2 3.92Å; K378-L382 HydrophobicContact CG-CG 4.31Å; K378-L382 PolarHBondContact NZ-O 3.13Å; P379-L382 HydrophobicContact CB-CB 4.46Å; P379-L382 WeakPolarHBondContact O-CB 3.33Å; P379-L382 PolarHBondContact O-N 2.93Å; P379-L382 VanDerWaalsContact O-N 3.09Å; L382-E384 HydrophobicContact CD2-CB 4.47Å; L382-F475 HydrophobicContact CD2-CB 4.21Å
383	E	96.4	Very high	94.8	Very high	5 Å²	5	25.1 Å²	25.1	2%	0.023	11%	0.108	C	C	.	.			trans	-77	145	162.4	-72.2	177.8	-122.9	0	0	111.2	S345 G346 N347 G348 D353 C355 Y381	S345-E383 WeakPolarHBondContact O-CB 3.25Å; G346-E383 VanDerWaalsContact C-OE1 3.29Å; G346-E383 VanDerWaalsContact CA-OE1 3.32Å; G346-E383 WeakPolarHBondContact CA-OE1 3.24Å; N347-E383 PolarHBondContact N-OE1 3.04Å; N347-E383 VanDerWaalsContact N-OE1 3.08Å; G348-E383 WeakPolarHBondContact CA-OE1 3.37Å; G348-E383 PolarHBondContact N-OE1 2.74Å; D353-E383 HydrophobicContact CB-CG 4.05Å; C355-E383 WeakPolarHBondContact CA-OE2 3.38Å; C355-E383 HydrophobicContact CB-CB 3.94Å; C355-E383 PolarHBondContact N-OE2 3.31Å; Y381-E383 PolarHBondContact O-N 3.47Å; Y381-E383 VanDerWaalsContact O-N 3.17Å
384	E	95	Very high	94.9	Very high	49 Å²	49	25 Å²	25	23%	0.229	11%	0.107	C	C	.	.			trans	-112.6	138.1	-178.2	45.6	-178.6	-99.3	0	0	109.4	Y354 C355 K378 L382 H474 F475	Y354-E384 HydrophobicContact CD2-CG 3.91Å; Y354-E384 WeakPolarHBondContact CD2-O 3.26Å; Y354-E384 HydrophobicContact CE2-CB 4.34Å; Y354-E384 HydrophobicContact CE2-CG 3.75Å; Y354-E384 WeakPolarHBondContact CE2-O 3.23Å; Y354-E384 VanDerWaalsContact CG-O 3.28Å; C355-E384 PolarHBondContact N-O 3.27Å; K378-E384 IonicContact NZ-OE2 3.16Å; K378-E384 PolarHBondContact NZ-OE2 3.46Å; L382-E384 HydrophobicContact CD2-CB 4.47Å; E384-H474 VanDerWaalsContact CA-O 3.24Å; E384-H474 WeakPolarHBondContact CA-O 3.29Å; E384-H474 HydrophobicContact CB-CB 4.33Å; E384-H474 WeakPolarHBondContact CB-O 3.17Å; E384-F475 HydrophobicContact CB-CD1 3.9Å; E384-F475 HydrophobicContact CB-CE1 4.35Å; E384-F475 WeakPolarHBondContact OE2-CE1 3.12Å
385	C	94.5	Very high	95	Very high	0 Å²	0	23 Å²	23	0%	0	10%	0.099	C	C	.	.			trans	-163.8	157.7	176.9	50.9	0	0	0	0	110.7	Y354 C355 S356 S387 T388 H474	Y354-C385 HydrophobicContact CD1-CB 4.39Å; Y354-C385 HydrophobicContact CE1-CB 4.1Å; C355-C385 HydrophobicContact CB-CB 3.95Å; C355-C385 WeakPolarHBondContact CB-SG 3.08Å; C355-C385 WeakPolarHBondContact SG-CB 3.13Å; C355-C385 CovalentContact SG-SG 2.03Å; C355-C385 PolarHBondContact SG-SG 3.45Å; S356-C385 WeakPolarHBondContact OG-CB 3.1Å; C385-S387 PolarHBondContact O-N 2.82Å; C385-S387 PolarHBondContact SG-OG 3.39Å; C385-T388 PolarHBondContact SG-OG1 3.3Å; C385-T388 VanDerWaalsContact SG-OG1 3.35Å; C385-H474 PolarHBondContact N-O 2.68Å
386	A	98	Very high	94.8	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-1.9	179.1	0	0	0	0	0	114.2	Q569 T590 V591	A386-Q569 VanDerWaalsContact CB-O 3.28Å; A386-Q569 WeakPolarHBondContact CB-O 3.22Å; A386-T590 WeakPolarHBondContact CB-OG1 3.48Å; A386-T590 VanDerWaalsContact O-CA 3.3Å; A386-T590 WeakPolarHBondContact O-CA 3.43Å; A386-T590 PolarHBondContact O-OG1 2.61Å; A386-V591 WeakPolarHBondContact O-CG2 3.34Å; A386-V591 PolarHBondContact O-N 3.2Å
387	S	98.1	Very high	94	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.014	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-19.7	174.4	43.2	0	0	0	0	113.8	C385 L389	C385-S387 PolarHBondContact O-N 2.82Å; C385-S387 PolarHBondContact SG-OG 3.39Å; S387-L389 PolarHBondContact O-N 3.07Å
388	T	98.5	Very high	92.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.118	C	C	.	.			trans	-56.5	122.7	176.4	-60.7	0	0	0	0	110.9	C385 G477 V591	C385-T388 PolarHBondContact SG-OG1 3.3Å; C385-T388 VanDerWaalsContact SG-OG1 3.35Å; T388-G477 WeakPolarHBondContact O-CA 3.46Å; T388-V591 WeakPolarHBondContact O-CG2 3.12Å
389	L	98.6	Very high	91.5	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.016	14%	0.141	C	C	.	.			trans	-91.2	-42.9	-178.5	-161.3	76.7	0	0	0	112.1	I367 S368 S387 Q446 L449 V450 F478 V591 W594	I367-L389 HydrophobicContact CG2-CD2 4.03Å; S368-L389 PolarHBondContact O-N 2.89Å; S387-L389 PolarHBondContact O-N 3.07Å; L389-Q446 HydrophobicContact CD2-CB 3.98Å; L389-Q446 HydrophobicContact CD2-CG 3.99Å; L389-L449 HydrophobicContact CD2-CB 4.02Å; L389-L449 HydrophobicContact CD2-CD1 3.99Å; L389-V450 HydrophobicContact CD1-CG2 3.7Å; L389-V450 HydrophobicContact CG-CG2 4.29Å; L389-F478 HydrophobicContact CD1-CD2 4.25Å; L389-F478 HydrophobicContact CD1-CE2 4.14Å; L389-F478 WeakPolarHBondContact O-CD2 3.29Å; L389-F478 PolarHBondContact O-N 3.41Å; L389-V591 HydrophobicContact CD1-CB 4.04Å; L389-V591 HydrophobicContact CD1-CG1 3.98Å; L389-V591 HydrophobicContact CD1-CG2 4.01Å; L389-W594 HydrophobicContact CD1-CE3 4.4Å; L389-W594 HydrophobicContact CD1-CZ3 4.19Å
390	A	98	Very high	90.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	174.8	-172.9	0	0	0	0	0	113.4	S368 V369 S370 Y476 V481	S368-A390 PolarHBondContact O-N 2.89Å; V369-A390 WeakPolarHBondContact CA-O 3.45Å; S370-A390 PolarHBondContact N-O 2.79Å; A390-Y476 CarbonylContact C-O 3.54Å; A390-V481 HydrophobicContact CB-CG2 3.6Å
391	T	98.2	Very high	90.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	146.7	-176.3	-59.9	0	0	0	0	112.4	S370 A372 L458 Y476 G479 L480 V481	S370-T391 WeakPolarHBondContact O-CA 3.42Å; A372-T391 HydrophobicContact CB-CG2 3.77Å; T391-L458 HydrophobicContact CG2-CD1 4.06Å; T391-Y476 HydrophobicContact CG2-CD1 3.92Å; T391-Y476 VanDerWaalsContact OG1-C 3.32Å; T391-Y476 WeakPolarHBondContact OG1-CA 3.41Å; T391-Y476 VanDerWaalsContact OG1-CB 3.25Å; T391-Y476 WeakPolarHBondContact OG1-CB 3.37Å; T391-Y476 PolarHBondContact OG1-O 3.34Å; T391-G479 WeakPolarHBondContact CB-O 3.23Å; T391-G479 PolarHBondContact N-O 3.19Å; T391-L480 HydrophobicContact CG2-CD1 4.37Å; T391-L480 WeakPolarHBondContact O-CA 3.49Å; T391-V481 PolarHBondContact O-N 3.09Å
392	T	97.2	Very high	90.3	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	173.4	163.1	55.5	0	0	0	0	110.7	M184 S370 S371 A372 S422 M425 V426 V481	M184-T392 HydrophobicContact CE-CG2 3.55Å; M184-T392 HydrophobicContact SD-CG2 4.08Å; S370-T392 PolarHBondContact O-N 2.88Å; S371-T392 CarbonylContact C-O 3.19Å; S371-T392 WeakPolarHBondContact CA-O 3.44Å; A372-T392 PolarHBondContact N-O 2.98Å; T392-S422 WeakPolarHBondContact OG1-CA 3.29Å; T392-S422 WeakPolarHBondContact OG1-CB 3.48Å; T392-S422 PolarHBondContact OG1-O 2.64Å; T392-S422 VanDerWaalsContact OG1-O 3.1Å; T392-S422 PolarHBondContact OG1-OG 3.13Å; T392-S422 VanDerWaalsContact OG1-OG 3.06Å; T392-M425 HydrophobicContact CG2-CB 4.08Å; T392-V426 HydrophobicContact CG2-CG2 3.42Å; T392-V426 VanDerWaalsContact CG2-CG2 3.42Å; T392-V481 HydrophobicContact CG2-CB 4.41Å; T392-V481 HydrophobicContact CG2-CG2 4.37Å
393	Y	95.3	Very high	90.3	Very high	5 Å²	5	34.1 Å²	34.1	2%	0.02	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	144.4	173.9	-69.9	-61.3	0	0	0	112	W169 R181 M184 A372 H457 L480	W169-Y393 AromaticContact CH2-CD1 3.73Å; W169-Y393 HydrophobicContact CH2-CD1 3.73Å; W169-Y393 AromaticContact CH2-CG 3.76Å; W169-Y393 HydrophobicContact CH2-CG 3.76Å; W169-Y393 AromaticContact CZ3-CD1 3.49Å; W169-Y393 HydrophobicContact CZ3-CD1 3.49Å; W169-Y393 VanDerWaalsContact CZ3-CD1 3.49Å; W169-Y393 HydrophobicContact CZ3-CD2 4.02Å; W169-Y393 AromaticContact CZ3-CE1 3.9Å; W169-Y393 HydrophobicContact CZ3-CE1 3.9Å; W169-Y393 HydrophobicContact CZ3-CE2 4.4Å; W169-Y393 AromaticContact CZ3-CG 3.55Å; W169-Y393 HydrophobicContact CZ3-CG 3.55Å; R181-Y393 PolarHBondContact O-OH 2.86Å; R181-Y393 VanDerWaalsContact O-OH 3.1Å; M184-Y393 HydrophobicContact CG-CD2 4Å; M184-Y393 HydrophobicContact CG-CE2 4.08Å; M184-Y393 HydrophobicContact SD-CD2 3.37Å; M184-Y393 WeakPolarHBondContact SD-CD2 3.25Å; M184-Y393 HydrophobicContact SD-CE2 4.07Å; M184-Y393 HydrophobicContact SD-CG 4.08Å; A372-Y393 WeakPolarHBondContact O-CA 3.47Å; Y393-H457 AromaticContact CE1-CE1 3.56Å; Y393-H457 AromaticContact CE1-NE2 3.57Å; Y393-H457 AromaticContact CZ-CE1 3.6Å; Y393-H457 PolarHBondContact OH-CE1 3.38Å; Y393-L480 HydrophobicContact CE2-CD2 4.26Å
394	S	94.8	Very high	90.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	15%	0.153	C	C	.	.			trans	-146.8	-170.8	163.8	-174.2	0	0	0	0	109.3	S371 A372 Y381 G418	S371-S394 WeakPolarHBondContact OG-CB 3.13Å; A372-S394 PolarHBondContact O-N 3.44Å; Y381-S394 WeakPolarHBondContact OH-CB 3.37Å; Y381-S394 PolarHBondContact OH-OG 3.03Å; S394-G418 PolarHBondContact OG-O 3.36Å
395	S	90	Very high	90.3	Very high	4 Å²	4	31.8 Å²	31.8	3%	0.028	14%	0.142	C	C	.	.			trans	-59.1	153.2	174	63.9	0	0	0	0	114	Y381 T417 G418	Y381-S395 WeakPolarHBondContact CE1-O 3.3Å; Y381-S395 WeakPolarHBondContact CE1-OG 3.31Å; Y381-S395 PolarHBondContact OH-O 3.21Å; Y381-S395 PolarHBondContact OH-OG 2.91Å; S395-T417 WeakPolarHBondContact OG-CA 3.41Å; S395-T417 VanDerWaalsContact OG-CB 3.27Å; S395-T417 WeakPolarHBondContact OG-CB 3.34Å; S395-G418 PolarHBondContact OG-N 2.9Å
396	G	84.4	Confident	90.5	Very high	9 Å²	9	31.8 Å²	31.8	9%	0.093	14%	0.142	C	C	.	.			trans	-126.3	-133.5	176	0	0	0	0	0	114.1	T373 E400	T373-G396 VanDerWaalsContact CG2-CA 3.41Å; G396-E400 WeakPolarHBondContact CA-OE2 3.44Å
397	A	74	Confident	90.4	Very high	34 Å²	34	32.9 Å²	32.9	28%	0.281	15%	0.148	S	C	.	.	S	Bend	trans	-64.4	162.6	170.3	0	0	0	0	0	111.5	Y399 E400	A397-Y399 HydrophobicContact CB-CD1 3.91Å; A397-Y399 HydrophobicContact CB-CE1 3.42Å; A397-Y399 VanDerWaalsContact CB-CE1 3.42Å; A397-Y399 HydrophobicContact CB-CE2 4.42Å; A397-Y399 PolarHBondContact O-N 2.74Å; A397-E400 HydrophobicContact CB-CG 4.44Å; A397-E400 PolarHBondContact N-OE2 3.01Å; A397-E400 PolarHBondContact O-N 2.83Å
398	F	64.8	Low	90.1	Very high	207 Å²	207	33 Å²	33	91%	0.908	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-16.2	-175.7	-175.1	-91.6	0	0	0	115.5
399	Y	71.3	Confident	89.8	Confident	192 Å²	192	37.9 Å²	37.9	75%	0.753	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.3	-7.3	179.2	60.1	-96.7	0	0	0	114.1	A397	A397-Y399 HydrophobicContact CB-CD1 3.91Å; A397-Y399 HydrophobicContact CB-CE1 3.42Å; A397-Y399 VanDerWaalsContact CB-CE1 3.42Å; A397-Y399 HydrophobicContact CB-CE2 4.42Å; A397-Y399 PolarHBondContact O-N 2.74Å
400	E	77.6	Confident	89.6	Confident	17 Å²	17	42 Å²	42	8%	0.079	19%	0.186	C	C	.	.	S	Bend	trans	-86.2	154.6	174.7	-64.1	-178.7	103.7	0	0	109.9	T373 N375 G396 A397	T373-E400 VanDerWaalsContact CB-OE1 3.24Å; T373-E400 WeakPolarHBondContact CB-OE1 3.41Å; T373-E400 WeakPolarHBondContact CB-OE2 3.45Å; T373-E400 WeakPolarHBondContact CG2-OE2 3.37Å; T373-E400 PolarHBondContact OG1-OE1 3.09Å; N375-E400 PolarHBondContact N-OE1 3.16Å; N375-E400 PolarHBondContact ND2-OE1 3.06Å; G396-E400 WeakPolarHBondContact CA-OE2 3.44Å; A397-E400 HydrophobicContact CB-CG 4.44Å; A397-E400 PolarHBondContact N-OE2 3.01Å; A397-E400 PolarHBondContact O-N 2.83Å
401	R	85.8	Confident	89.4	Confident	102 Å²	102	49.5 Å²	49.5	39%	0.385	21%	0.214	S	C	.	.			trans	-67.4	148.4	179	-67.3	-176.2	-81.2	179	1.9	111.1	W169 E374	W169-R401 VanDerWaalsContact CB-NH1 3.33Å; W169-R401 HydrophobicContact CD2-CB 4.3Å; W169-R401 HydrophobicContact CG-CB 4.16Å; W169-R401 HydrophobicContact CZ2-CB 4.43Å; W169-R401 VanDerWaalsContact NE1-CB 3.32Å; E374-R401 VanDerWaalsContact CD-NE 3.34Å; E374-R401 IonicContact OE1-CZ 2.81Å; E374-R401 IonicContact OE1-NE 3.16Å; E374-R401 PolarHBondContact OE1-NE 3.01Å; E374-R401 IonicContact OE1-NH2 3.52Å; E374-R401 PolarHBondContact OE1-NH2 2.76Å; E374-R401 VanDerWaalsContact OE2-CB 3.32Å; E374-R401 WeakPolarHBondContact OE2-CB 3.48Å; E374-R401 WeakPolarHBondContact OE2-CG 3.4Å; E374-R401 PolarHBondContact OE2-N 3.35Å; E374-R401 IonicContact OE2-NE 3.59Å; E374-R401 PolarHBondContact OE2-NE 2.99Å
402	K	91.3	Very high	89.2	Confident	87 Å²	87	51.8 Å²	51.8	38%	0.378	23%	0.23	S	C	.	.			trans	-104.3	179.5	175.6	-68.7	-175.6	175.7	-169.1	0	110	W169 D414 T417	W169-K402 PolarHBondContact NE1-O 2.88Å; K402-D414 VanDerWaalsContact CB-O 3.3Å; K402-D414 WeakPolarHBondContact CB-O 3.19Å; K402-T417 HydrophobicContact CD-CG2 3.72Å; K402-T417 HydrophobicContact CG-CG2 4.21Å
403	I	93.7	Very high	89.1	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	136.8	178.6	-57	-42.5	0	0	0	110.6	W169 Y170 E253 D414 H416 V421 M425	W169-I403 HydrophobicContact CZ2-CD1 3.79Å; Y170-I403 HydrophobicContact CD1-CD1 3.53Å; Y170-I403 HydrophobicContact CE1-CD1 3.81Å; Y170-I403 HydrophobicContact CE1-CG2 4.07Å; Y170-I403 HydrophobicContact CE2-CG2 4.32Å; Y170-I403 HydrophobicContact CG-CD1 3.93Å; E253-I403 HydrophobicContact CG-CG2 4.29Å; E253-I403 WeakPolarHBondContact OE2-CG2 3.43Å; I403-D414 CarbonylContact O-C 3.48Å; I403-H416 HydrophobicContact CB-CB 4.41Å; I403-H416 PolarHBondContact N-O 3.14Å; I403-H416 PolarHBondContact O-N 3.38Å; I403-V421 HydrophobicContact CB-CG1 4.14Å; I403-V421 HydrophobicContact CG1-CG1 3.48Å; I403-V421 VanDerWaalsContact CG1-CG1 3.48Å; I403-V421 HydrophobicContact CG2-CG1 4.3Å; I403-M425 HydrophobicContact CB-CE 4.4Å; I403-M425 HydrophobicContact CD1-CE 3.72Å; I403-M425 HydrophobicContact CG1-CE 3.73Å; I403-M425 HydrophobicContact CG2-CE 3.73Å
404	V	94.8	Very high	88.8	Confident	5 Å²	5	58 Å²	58	3%	0.03	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	126	177.5	-79.9	0	0	0	0	109.4	I164 N167 M168 Y170 I264 T413 D414	I164-V404 HydrophobicContact CG2-CB 3.75Å; I164-V404 HydrophobicContact CG2-CG1 3.64Å; I164-V404 HydrophobicContact CG2-CG2 4.08Å; N167-V404 HydrophobicContact CB-CG1 4.22Å; N167-V404 HydrophobicContact CB-CG2 4.47Å; M168-V404 HydrophobicContact CB-CG2 4.39Å; M168-V404 HydrophobicContact CG-CG2 3.74Å; Y170-V404 HydrophobicContact CE1-CG2 3.92Å; Y170-V404 PolarHBondContact OH-O 3.37Å; I264-V404 HydrophobicContact CG2-CB 4.2Å; I264-V404 HydrophobicContact CG2-CG2 4.36Å; V404-T413 CarbonylContact C-O 3.5Å; V404-T413 WeakPolarHBondContact CA-O 3.48Å; V404-D414 HydrophobicContact CG1-CB 3.79Å
405	T	97.9	Very high	88.5	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	176.9	-179.7	-171.1	0	0	0	0	111.9	R249 G252 E253 C412 T413 H416	R249-T405 HydrophobicContact CB-CG2 3.71Å; R249-T405 HydrophobicContact CG-CG2 4.04Å; R249-T405 WeakPolarHBondContact O-CG2 3.41Å; R249-T405 PolarHBondContact O-OG1 2.91Å; G252-T405 WeakPolarHBondContact CA-OG1 3.39Å; E253-T405 HydrophobicContact CG-CG2 4.28Å; E253-T405 PolarHBondContact N-OG1 2.98Å; T405-C412 WeakPolarHBondContact O-CA 3.31Å; T405-T413 HydrophobicContact CG2-CG2 3.79Å; T405-T413 PolarHBondContact N-O 2.79Å; T405-T413 PolarHBondContact O-N 2.82Å; T405-H416 HydrophobicContact CG2-CB 4.17Å
406	T	97.3	Very high	88.6	Confident	0 Å²	0	59 Å²	59	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	150.4	170.5	52.6	0	0	0	0	111.1	H212 D214 L215 T248 R249 G252 A256 I264	H212-T406 VanDerWaalsContact CE1-CB 3.45Å; H212-T406 WeakPolarHBondContact CE1-CB 3.03Å; H212-T406 WeakPolarHBondContact CE1-CG2 3.42Å; D214-T406 HydrophobicContact CB-CG2 3.73Å; D214-T406 WeakPolarHBondContact OD2-CG2 3.09Å; L215-T406 HydrophobicContact CD2-CG2 4.15Å; L215-T406 HydrophobicContact CG-CG2 4.35Å; T248-T406 PolarHBondContact O-OG1 3.38Å; R249-T406 WeakPolarHBondContact CA-O 3.31Å; R249-T406 WeakPolarHBondContact CG-O 3.11Å; G252-T406 VanDerWaalsContact CA-OG1 3.23Å; G252-T406 WeakPolarHBondContact CA-OG1 3.45Å; G252-T406 PolarHBondContact N-OG1 2.92Å; A256-T406 HydrophobicContact CB-CG2 4.24Å; I264-T406 HydrophobicContact CG1-CG2 4.4Å
407	D	97.4	Very high	89	Confident	23 Å²	23	61.4 Å²	61.4	12%	0.123	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	157.6	-178.5	-160.4	14.7	0	0	0	111.3	H212 R249 R411 T413	H212-D407 PolarHBondContact CD2-O 2.82Å; R249-D407 IonicContact CZ-OD1 2.74Å; R249-D407 IonicContact CZ-OD2 3.7Å; R249-D407 IonicContact NE-OD1 2.61Å; R249-D407 PolarHBondContact NE-OD1 3.2Å; R249-D407 IonicContact NE-OD2 3.86Å; R249-D407 IonicContact NH2-OD1 2.7Å; R249-D407 PolarHBondContact NH2-OD1 2.77Å; R249-D407 VanDerWaalsContact NH2-OD1 3.13Å; R249-D407 IonicContact NH2-OD2 2.57Å; R249-D407 PolarHBondContact NH2-OD2 3.21Å; D407-R411 HydrophobicContact CB-CB 4.05Å; D407-R411 PolarHBondContact N-O 3.39Å; D407-R411 PolarHBondContact O-N 3.24Å; D407-T413 HydrophobicContact CB-CG2 4.41Å
408	L	90.7	Very high	89.8	Confident	4 Å²	4	60.1 Å²	60.1	2%	0.021	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	146.1	-174.5	-166.6	72	0	0	0	112.2	P236 Y238 N242 N244 K245 R411	P236-L408 HydrophobicContact CB-CD1 4.05Å; P236-L408 HydrophobicContact CG-CD1 3.36Å; Y238-L408 HydrophobicContact CD1-CD1 3.96Å; Y238-L408 HydrophobicContact CD1-CD2 3.98Å; Y238-L408 HydrophobicContact CD1-CG 3.9Å; Y238-L408 HydrophobicContact CE1-CD1 3.6Å; Y238-L408 HydrophobicContact CE1-CD2 4.44Å; Y238-L408 HydrophobicContact CE1-CG 3.88Å; N242-L408 HydrophobicContact CB-CD2 3.93Å; N244-L408 WeakPolarHBondContact O-CD1 3Å; N244-L408 WeakPolarHBondContact O-CD2 3.42Å; K245-L408 HydrophobicContact CB-CB 3.75Å; K245-L408 HydrophobicContact CB-CD2 4.38Å; L408-R411 WeakPolarHBondContact O-CD 3.18Å
409	R	93.1	Very high	90.8	Very high	104 Å²	104	50.2 Å²	50.2	39%	0.392	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	37.3	-177	-46.4	178.2	176.9	-79.6	-3.4	113.8	E209 Y238 D239 N242	E209-R409 VanDerWaalsContact OE1-CA 3.31Å; E209-R409 WeakPolarHBondContact OE1-CA 3.26Å; E209-R409 PolarHBondContact OE1-N 2.85Å; Y238-R409 HydrophobicContact CD1-CG 4.05Å; Y238-R409 HydrophobicContact CE1-CG 4.28Å; D239-R409 PolarHBondContact O-NH2 3.06Å; N242-R409 PolarHBondContact OD1-NE 2.93Å; N242-R409 PolarHBondContact OD1-NH2 3.1Å
410	Q	93.8	Very high	91.7	Very high	88 Å²	88	41.7 Å²	41.7	41%	0.411	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	62.9	-177.9	-51.4	-170.5	-4.9	0	0	111	E209 N211 P213 Y262	E209-Q410 WeakPolarHBondContact OE2-CA 3.11Å; E209-Q410 WeakPolarHBondContact OE2-CG 3.27Å; E209-Q410 PolarHBondContact OE2-N 2.84Å; N211-Q410 PolarHBondContact ND2-NE2 3.2Å; N211-Q410 PolarHBondContact O-NE2 2.91Å; N211-Q410 VanDerWaalsContact O-NE2 3.12Å; P213-Q410 HydrophobicContact CG-CB 4.31Å; P213-Q410 HydrophobicContact CG-CG 4.46Å; Y262-Q410 PolarHBondContact OH-O 3.43Å
411	R	93.8	Very high	92.5	Very high	158 Å²	158	40.9 Å²	40.9	60%	0.596	20%	0.197	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-135	175.3	-172.7	-72.9	-175.8	174.8	-151.2	-6	111.9	H212 D407 L408	H212-R411 PolarHBondContact NE2-N 3.13Å; H212-R411 PolarHBondContact NE2-O 3.43Å; D407-R411 HydrophobicContact CB-CB 4.05Å; D407-R411 PolarHBondContact N-O 3.39Å; D407-R411 PolarHBondContact O-N 3.24Å; L408-R411 WeakPolarHBondContact O-CD 3.18Å
412	C	94.6	Very high	93	Very high	49 Å²	49	36 Å²	36	33%	0.331	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	145.6	170.2	-57.6	0	0	0	0	109.2	I164 C263 T405	I164-C412 HydrophobicContact CD1-CB 3.29Å; I164-C412 VanDerWaalsContact CD1-SG 3.55Å; C263-C412 WeakPolarHBondContact CA-SG 3.47Å; C263-C412 HydrophobicContact CB-CB 4.42Å; C263-C412 WeakPolarHBondContact CB-SG 3.24Å; C263-C412 WeakPolarHBondContact SG-CA 3.14Å; C263-C412 WeakPolarHBondContact SG-CB 3.34Å; C263-C412 CovalentContact SG-SG 2.03Å; C263-C412 PolarHBondContact SG-SG 2.81Å; T405-C412 WeakPolarHBondContact O-CA 3.31Å
413	T	93.8	Very high	93.3	Very high	13 Å²	13	31.9 Å²	31.9	8%	0.08	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	145.3	168.7	-162.5	0	0	0	0	109.9	R249 V404 T405 D407 G415 H416	R249-T413 HydrophobicContact CG-CG2 4.33Å; R249-T413 PolarHBondContact NH2-OG1 3.48Å; R249-T413 VanDerWaalsContact NH2-OG1 3.15Å; V404-T413 CarbonylContact C-O 3.5Å; V404-T413 WeakPolarHBondContact CA-O 3.48Å; T405-T413 HydrophobicContact CG2-CG2 3.79Å; T405-T413 PolarHBondContact N-O 2.79Å; T405-T413 PolarHBondContact O-N 2.82Å; D407-T413 HydrophobicContact CB-CG2 4.41Å; T413-G415 PolarHBondContact OG1-N 2.86Å; T413-G415 VanDerWaalsContact OG1-N 3.09Å; T413-H416 HydrophobicContact CG2-CB 4.22Å
414	D	90	Very high	93.5	Very high	121 Å²	121	31.9 Å²	31.9	65%	0.647	16%	0.161	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-104.8	16.7	161.5	65.9	-17.1	0	0	0	111.3	K402 I403 V404	K402-D414 VanDerWaalsContact CB-O 3.3Å; K402-D414 WeakPolarHBondContact CB-O 3.19Å; I403-D414 CarbonylContact O-C 3.48Å; V404-D414 HydrophobicContact CG1-CB 3.79Å
415	G	88.6	Confident	93.7	Very high	20 Å²	20	31.6 Å²	31.6	21%	0.206	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	19	-161.4	0	0	0	0	0	115.1	T413	T413-G415 PolarHBondContact OG1-N 2.86Å; T413-G415 VanDerWaalsContact OG1-N 3.09Å
416	H	92.7	Very high	93.8	Very high	6 Å²	6	31.7 Å²	31.7	3%	0.028	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	147.2	174.4	-154.7	11.7	0	0	0	111.3	H246 R249 E253 I403 T405 T413 V421	H246-H416 AromaticContact CD2-CE1 3.66Å; H246-H416 AromaticContact NE2-CE1 3.62Å; R249-H416 WeakPolarHBondContact CB-NE2 3.35Å; E253-H416 IonicContact OE1-CD2 3.45Å; E253-H416 PolarHBondContact OE1-CD2 3.49Å; E253-H416 IonicContact OE1-NE2 3.13Å; I403-H416 HydrophobicContact CB-CB 4.41Å; I403-H416 PolarHBondContact N-O 3.14Å; I403-H416 PolarHBondContact O-N 3.38Å; T405-H416 HydrophobicContact CG2-CB 4.17Å; T413-H416 HydrophobicContact CG2-CB 4.22Å; H416-V421 HydrophobicContact CB-CG2 4.21Å
417	T	91.9	Very high	93.8	Very high	59 Å²	59	31.7 Å²	31.7	36%	0.362	16%	0.16	S	C	.	.			trans	-160.1	159.5	-161.1	57.1	0	0	0	0	110.6	S395 K402	S395-T417 WeakPolarHBondContact OG-CA 3.41Å; S395-T417 VanDerWaalsContact OG-CB 3.27Å; S395-T417 WeakPolarHBondContact OG-CB 3.34Å; K402-T417 HydrophobicContact CD-CG2 3.72Å; K402-T417 HydrophobicContact CG-CG2 4.21Å
418	G	90.7	Very high	93.9	Very high	7 Å²	7	30.6 Å²	30.6	7%	0.072	15%	0.154	C	C	.	.	S	Bend	trans	101.6	172.9	178.8	0	0	0	0	0	112.8	N347 Y381 S394 S395 S420 V421	N347-G418 WeakPolarHBondContact OD1-CA 3.04Å; Y381-G418 VanDerWaalsContact CE2-CA 3.49Å; S394-G418 PolarHBondContact OG-O 3.36Å; S395-G418 PolarHBondContact OG-N 2.9Å; G418-S420 PolarHBondContact O-N 3.35Å; G418-V421 WeakPolarHBondContact O-CB 3.33Å
419	T	86.7	Confident	94.3	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-71.5	-19.8	169.9	52.6	0	0	0	0	111.9	G346 N347 S371 Y381 V421 S422	G346-T419 PolarHBondContact N-OG1 3.49Å; G346-T419 WeakPolarHBondContact O-CG2 3.14Å; G346-T419 PolarHBondContact O-OG1 2.74Å; N347-T419 PolarHBondContact OD1-N 3.39Å; N347-T419 PolarHBondContact OD1-OG1 2.84Å; S371-T419 WeakPolarHBondContact OG-CA 3.46Å; Y381-T419 HydrophobicContact CD2-CG2 4.1Å; Y381-T419 HydrophobicContact CE2-CG2 3.97Å; T419-V421 PolarHBondContact O-N 3.32Å; T419-V421 VanDerWaalsContact O-N 3.09Å; T419-S422 WeakPolarHBondContact O-CB 3.03Å; T419-S422 PolarHBondContact O-N 3.17Å
420	S	89.8	Confident	94.6	Very high	12 Å²	12	25.4 Å²	25.4	8%	0.084	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-55.8	-22	174.8	-47.4	0	0	0	0	115.3	H246 S305 G418 P424	H246-S420 WeakPolarHBondContact NE2-CB 3.28Å; S305-S420 WeakPolarHBondContact OG-CA 3.42Å; S305-S420 PolarHBondContact OG-O 3.09Å; G418-S420 PolarHBondContact O-N 3.35Å; S420-P424 WeakPolarHBondContact O-CD 3.31Å; S420-P424 VanDerWaalsContact O-CG 3.31Å; S420-P424 WeakPolarHBondContact O-CG 3.3Å
421	V	93.5	Very high	94.8	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-74.9	-40.8	170.7	161.5	0	0	0	0	112.1	E253 I403 H416 G418 T419 A423 P424 M425	E253-V421 WeakPolarHBondContact OE2-CG1 3.44Å; I403-V421 HydrophobicContact CB-CG1 4.14Å; I403-V421 HydrophobicContact CG1-CG1 3.48Å; I403-V421 VanDerWaalsContact CG1-CG1 3.48Å; I403-V421 HydrophobicContact CG2-CG1 4.3Å; H416-V421 HydrophobicContact CB-CG2 4.21Å; G418-V421 WeakPolarHBondContact O-CB 3.33Å; T419-V421 PolarHBondContact O-N 3.32Å; T419-V421 VanDerWaalsContact O-N 3.09Å; V421-A423 PolarHBondContact O-N 2.77Å; V421-P424 WeakPolarHBondContact O-CD 3.38Å; V421-M425 HydrophobicContact CG1-CE 3.81Å; V421-M425 PolarHBondContact O-N 2.76Å
422	S	97	Very high	95.1	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-73.5	-33.4	-167	-75.6	0	0	0	0	113.1	S370 S371 T392 T419 M425 V426	S370-S422 WeakPolarHBondContact O-CB 3.18Å; S370-S422 PolarHBondContact O-OG 2.75Å; S371-S422 PolarHBondContact OG-OG 2.88Å; T392-S422 WeakPolarHBondContact OG1-CA 3.29Å; T392-S422 WeakPolarHBondContact OG1-CB 3.48Å; T392-S422 PolarHBondContact OG1-O 2.64Å; T392-S422 VanDerWaalsContact OG1-O 3.1Å; T392-S422 PolarHBondContact OG1-OG 3.13Å; T392-S422 VanDerWaalsContact OG1-OG 3.06Å; T419-S422 WeakPolarHBondContact O-CB 3.03Å; T419-S422 PolarHBondContact O-N 3.17Å; S422-M425 PolarHBondContact O-N 2.93Å; S422-V426 PolarHBondContact O-N 3.38Å; S422-V426 VanDerWaalsContact O-N 3.13Å
423	A	97.9	Very high	95.3	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-64.5	-50	174.9	0	0	0	0	0	113.2	V342 A344 V421 M425 V426 A427	V342-A423 HydrophobicContact CG1-CB 4.01Å; V342-A423 WeakPolarHBondContact CG1-O 3.38Å; A344-A423 HydrophobicContact CB-CB 4.37Å; V421-A423 PolarHBondContact O-N 2.77Å; A423-M425 VanDerWaalsContact C-N 3.29Å; A423-M425 PolarHBondContact O-N 2.67Å; A423-V426 PolarHBondContact O-N 2.92Å; A423-A427 PolarHBondContact O-N 2.73Å
424	P	98.5	Very high	95.5	Very high	0 Å²	0	11 Å²	11	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-50.8	-43.2	168.9	-30.2	34	0	0	0	113.8	C250 E253 V254 S420 V421 V426 A427 G428	C250-P424 HydrophobicContact CB-CB 4.19Å; C250-P424 HydrophobicContact CB-CG 3.58Å; E253-P424 HydrophobicContact CB-CB 4.2Å; V254-P424 HydrophobicContact CG2-CB 4.09Å; V254-P424 WeakPolarHBondContact CG2-O 3.35Å; S420-P424 WeakPolarHBondContact O-CD 3.31Å; S420-P424 VanDerWaalsContact O-CG 3.31Å; S420-P424 WeakPolarHBondContact O-CG 3.3Å; V421-P424 WeakPolarHBondContact O-CD 3.38Å; P424-V426 VanDerWaalsContact C-N 3.34Å; P424-V426 PolarHBondContact O-N 3.34Å; P424-A427 PolarHBondContact O-N 3.47Å; P424-G428 PolarHBondContact O-N 3.32Å
425	M	98.5	Very high	95.9	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-61.5	-41.6	176.6	-68.9	-160.5	-167.8	0	0	112.7	Y170 M184 E253 I267 T392 I403 V421 S422 A423 G428 I429	Y170-M425 HydrophobicContact CD2-CE 3.38Å; Y170-M425 HydrophobicContact CD2-SD 3.8Å; Y170-M425 HydrophobicContact CE2-CE 3.48Å; Y170-M425 VanDerWaalsContact CE2-CE 3.48Å; Y170-M425 HydrophobicContact CE2-SD 4.26Å; Y170-M425 HydrophobicContact CG-CE 4Å; M184-M425 HydrophobicContact CE-CB 4.33Å; M184-M425 HydrophobicContact CE-SD 3.93Å; E253-M425 WeakPolarHBondContact OE2-CE 3.45Å; E253-M425 WeakPolarHBondContact OE2-CG 3.32Å; I267-M425 HydrophobicContact CD1-CB 3.81Å; I267-M425 HydrophobicContact CD1-CG 3.94Å; I267-M425 HydrophobicContact CD1-SD 4.43Å; T392-M425 HydrophobicContact CG2-CB 4.08Å; I403-M425 HydrophobicContact CB-CE 4.4Å; I403-M425 HydrophobicContact CD1-CE 3.72Å; I403-M425 HydrophobicContact CG1-CE 3.73Å; I403-M425 HydrophobicContact CG2-CE 3.73Å; V421-M425 HydrophobicContact CG1-CE 3.81Å; V421-M425 PolarHBondContact O-N 2.76Å; S422-M425 PolarHBondContact O-N 2.93Å; A423-M425 VanDerWaalsContact C-N 3.29Å; A423-M425 PolarHBondContact O-N 2.67Å; M425-G428 PolarHBondContact O-N 2.95Å; M425-I429 WeakPolarHBondContact O-CG1 3.39Å; M425-I429 PolarHBondContact O-N 2.82Å
426	V	98.8	Very high	96.4	Very high	1 Å²	1	7.7 Å²	7.7	1%	0.006	5%	0.046	C	C	.	.	H	α-helix	trans	-68.7	-39.5	176.2	170.8	0	0	0	0	111.6	V342 I367 V369 T392 S422 A423 P424 G428 I429 I430 L449 V481	V342-V426 HydrophobicContact CG1-CB 3.99Å; V342-V426 HydrophobicContact CG1-CG1 3.88Å; I367-V426 HydrophobicContact CG2-CG1 4.42Å; V369-V426 HydrophobicContact CB-CG2 4.31Å; V369-V426 HydrophobicContact CG1-CB 4.33Å; V369-V426 HydrophobicContact CG1-CG2 3.49Å; V369-V426 VanDerWaalsContact CG1-CG2 3.49Å; V369-V426 HydrophobicContact CG2-CB 3.86Å; V369-V426 HydrophobicContact CG2-CG1 3.94Å; V369-V426 HydrophobicContact CG2-CG2 3.78Å; T392-V426 HydrophobicContact CG2-CG2 3.42Å; T392-V426 VanDerWaalsContact CG2-CG2 3.42Å; S422-V426 PolarHBondContact O-N 3.38Å; S422-V426 VanDerWaalsContact O-N 3.13Å; A423-V426 PolarHBondContact O-N 2.92Å; P424-V426 VanDerWaalsContact C-N 3.34Å; P424-V426 PolarHBondContact O-N 3.34Å; V426-G428 VanDerWaalsContact C-N 3.3Å; V426-G428 PolarHBondContact O-N 2.91Å; V426-I429 PolarHBondContact O-N 3.08Å; V426-I429 VanDerWaalsContact O-N 3.16Å; V426-I430 HydrophobicContact CG1-CD1 3.58Å; V426-I430 HydrophobicContact CG1-CG1 4.12Å; V426-I430 WeakPolarHBondContact O-CB 3.39Å; V426-I430 VanDerWaalsContact O-CG1 3.26Å; V426-I430 WeakPolarHBondContact O-CG1 3.33Å; V426-I430 PolarHBondContact O-N 2.79Å; V426-L449 HydrophobicContact CG1-CD1 4.48Å; V426-V481 HydrophobicContact CG2-CG2 4.05Å
427	A	98.9	Very high	96.7	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-57.8	-42.9	172.9	0	0	0	0	0	111.6	V201 V254 I301 V342 A423 P424 I430 A431	V201-A427 HydrophobicContact CG1-CB 4.3Å; V254-A427 HydrophobicContact CG2-CB 4.45Å; I301-A427 WeakPolarHBondContact CD1-O 3.49Å; I301-A427 HydrophobicContact CG2-CB 3.78Å; V342-A427 HydrophobicContact CB-CB 4.46Å; V342-A427 HydrophobicContact CG2-CB 4.23Å; A423-A427 PolarHBondContact O-N 2.73Å; P424-A427 PolarHBondContact O-N 3.47Å; A427-I430 PolarHBondContact O-N 3.04Å; A427-A431 PolarHBondContact O-N 3.23Å
428	G	98.8	Very high	96.9	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-60.7	-45.5	172	0	0	0	0	0	113.3	I267 P424 M425 V426 A431 L432	I267-G428 VanDerWaalsContact CG2-C 3.49Å; P424-G428 PolarHBondContact O-N 3.32Å; M425-G428 PolarHBondContact O-N 2.95Å; V426-G428 VanDerWaalsContact C-N 3.3Å; V426-G428 PolarHBondContact O-N 2.91Å; G428-A431 WeakPolarHBondContact O-CB 3.3Å; G428-A431 PolarHBondContact O-N 2.63Å; G428-L432 PolarHBondContact O-N 3.4Å
429	I	98.9	Very high	97.3	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-67.2	-39	178.7	-66.3	176.1	0	0	0	111.7	M184 V186 I267 M425 V426 A431 L432 A433 V481 A483 L486	M184-I429 HydrophobicContact CE-CD1 3.61Å; V186-I429 HydrophobicContact CG2-CD1 4.16Å; V186-I429 HydrophobicContact CG2-CG1 4.23Å; I267-I429 HydrophobicContact CD1-CG1 4.31Å; I267-I429 HydrophobicContact CG2-CG1 3.75Å; M425-I429 WeakPolarHBondContact O-CG1 3.39Å; M425-I429 PolarHBondContact O-N 2.82Å; V426-I429 PolarHBondContact O-N 3.08Å; V426-I429 VanDerWaalsContact O-N 3.16Å; I429-A431 VanDerWaalsContact C-N 3.28Å; I429-A431 PolarHBondContact O-N 2.77Å; I429-L432 WeakPolarHBondContact O-CB 3.11Å; I429-L432 PolarHBondContact O-N 2.77Å; I429-L432 VanDerWaalsContact O-N 3.13Å; I429-A433 PolarHBondContact O-N 3.25Å; I429-V481 HydrophobicContact CB-CG1 4.45Å; I429-V481 HydrophobicContact CD1-CB 4.32Å; I429-V481 HydrophobicContact CD1-CG1 3.94Å; I429-V481 HydrophobicContact CG2-CG1 3.79Å; I429-A483 HydrophobicContact CB-CB 4.45Å; I429-A483 HydrophobicContact CD1-CB 4.1Å; I429-A483 HydrophobicContact CG1-CB 4.02Å; I429-A483 HydrophobicContact CG2-CB 3.66Å; I429-L486 HydrophobicContact CG2-CD2 3.68Å
430	I	98.9	Very high	97.8	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-63.3	-36.6	174.6	-66	165	0	0	0	110.3	I301 I340 V342 I367 V426 A427 L432 A433 L434 V445 L449	I301-I430 HydrophobicContact CD1-CB 3.9Å; I301-I430 HydrophobicContact CD1-CG2 3.62Å; I301-I430 HydrophobicContact CG1-CG2 4.3Å; I340-I430 HydrophobicContact CD1-CG2 4.28Å; I340-I430 HydrophobicContact CG2-CD1 4.27Å; I340-I430 HydrophobicContact CG2-CG2 4.43Å; V342-I430 HydrophobicContact CG2-CD1 3.82Å; I367-I430 HydrophobicContact CD1-CD1 3.77Å; V426-I430 HydrophobicContact CG1-CD1 3.58Å; V426-I430 HydrophobicContact CG1-CG1 4.12Å; V426-I430 WeakPolarHBondContact O-CB 3.39Å; V426-I430 VanDerWaalsContact O-CG1 3.26Å; V426-I430 WeakPolarHBondContact O-CG1 3.33Å; V426-I430 PolarHBondContact O-N 2.79Å; A427-I430 PolarHBondContact O-N 3.04Å; I430-L432 VanDerWaalsContact C-N 3.27Å; I430-L432 PolarHBondContact O-N 3.05Å; I430-A433 CarbonylContact O-C 3.56Å; I430-A433 WeakPolarHBondContact O-CA 3.21Å; I430-A433 WeakPolarHBondContact O-CB 3.09Å; I430-A433 PolarHBondContact O-N 2.79Å; I430-L434 HydrophobicContact CG2-CD1 4.34Å; I430-L434 HydrophobicContact CG2-CG 4.2Å; I430-L434 PolarHBondContact O-N 3.33Å; I430-V445 HydrophobicContact CB-CG1 4.41Å; I430-V445 HydrophobicContact CD1-CG1 3.71Å; I430-V445 HydrophobicContact CG1-CG1 3.74Å; I430-V445 HydrophobicContact CG2-CG1 3.75Å; I430-V445 HydrophobicContact CG2-CG2 4.26Å; I430-L449 HydrophobicContact CD1-CD1 4.3Å
431	A	98.9	Very high	98.3	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-61.8	-33.4	173.9	0	0	0	0	0	112.9	V199 V201 A268 I301 A427 G428 I429 A433 L434 E435	V199-A431 HydrophobicContact CB-CB 4.16Å; V199-A431 HydrophobicContact CG1-CB 3.84Å; V199-A431 WeakPolarHBondContact CG2-O 3.41Å; V201-A431 HydrophobicContact CG2-CB 4.2Å; A268-A431 HydrophobicContact CB-CB 3.86Å; I301-A431 HydrophobicContact CD1-CB 3.98Å; A427-A431 PolarHBondContact O-N 3.23Å; G428-A431 WeakPolarHBondContact O-CB 3.3Å; G428-A431 PolarHBondContact O-N 2.63Å; I429-A431 VanDerWaalsContact C-N 3.28Å; I429-A431 PolarHBondContact O-N 2.77Å; A431-A433 VanDerWaalsContact C-N 3.31Å; A431-A433 PolarHBondContact O-N 2.82Å; A431-L434 PolarHBondContact O-N 2.66Å; A431-E435 PolarHBondContact O-N 2.71Å; A431-E435 VanDerWaalsContact O-N 3.1Å
432	L	98.9	Very high	98.5	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-64.6	-37.1	170.9	-52.6	-173.2	0	0	0	111.8	V186 A189 T195 G196 I267 A268 G428 I429 I430 A436 A483 V487	V186-L432 HydrophobicContact CG1-CD1 4.44Å; A189-L432 HydrophobicContact CB-CD1 3.82Å; T195-L432 VanDerWaalsContact C-CD2 3.45Å; G196-L432 VanDerWaalsContact N-CD2 3.3Å; I267-L432 HydrophobicContact CG2-CD1 4.14Å; I267-L432 HydrophobicContact CG2-CG 4.47Å; A268-L432 HydrophobicContact CB-CD2 4.26Å; G428-L432 PolarHBondContact O-N 3.4Å; I429-L432 WeakPolarHBondContact O-CB 3.11Å; I429-L432 PolarHBondContact O-N 2.77Å; I429-L432 VanDerWaalsContact O-N 3.13Å; I430-L432 VanDerWaalsContact C-N 3.27Å; I430-L432 PolarHBondContact O-N 3.05Å; L432-A436 PolarHBondContact O-N 3.44Å; L432-A483 HydrophobicContact CD1-CB 4.47Å; L432-V487 HydrophobicContact CB-CG1 3.66Å; L432-V487 WeakPolarHBondContact O-CG1 3.45Å
433	A	98.9	Very high	98.6	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.008	9%	0.092	C	C	.	.	H	α-helix	trans	-74.1	-34.3	178.2	0	0	0	0	0	113.2	I429 I430 A431 A436 N437 L440 L486 A490	I429-A433 PolarHBondContact O-N 3.25Å; I430-A433 CarbonylContact O-C 3.56Å; I430-A433 WeakPolarHBondContact O-CA 3.21Å; I430-A433 WeakPolarHBondContact O-CB 3.09Å; I430-A433 PolarHBondContact O-N 2.79Å; A431-A433 VanDerWaalsContact C-N 3.31Å; A431-A433 PolarHBondContact O-N 2.82Å; A433-A436 CarbonylContact O-C 3.45Å; A433-A436 WeakPolarHBondContact O-CB 3.31Å; A433-A436 PolarHBondContact O-N 2.84Å; A433-N437 PolarHBondContact O-N 3.46Å; A433-L440 HydrophobicContact CB-CD1 4.49Å; A433-L486 HydrophobicContact CB-CD2 3.73Å; A433-L486 HydrophobicContact CB-CG 3.94Å; A433-A490 HydrophobicContact CB-CB 4.11Å
434	L	98.9	Very high	98.6	Very high	4 Å²	4	17.2 Å²	17.2	2%	0.021	9%	0.092	C	C	.	.	H	α-helix	trans	-71.2	-30.6	173.7	-67.3	-176	0	0	0	112.8	V199 D300 I301 I340 I430 A431 A436 N437 S438 L440 V445	V199-L434 HydrophobicContact CG1-CB 4.2Å; V199-L434 HydrophobicContact CG1-CD1 3.94Å; V199-L434 HydrophobicContact CG2-CB 3.72Å; D300-L434 HydrophobicContact CB-CD1 3.77Å; I301-L434 HydrophobicContact CD1-CD1 3.94Å; I301-L434 HydrophobicContact CG1-CD1 3.9Å; I340-L434 HydrophobicContact CD1-CD1 3.79Å; I340-L434 HydrophobicContact CD1-CD2 4.14Å; I340-L434 HydrophobicContact CD1-CG 4.42Å; I430-L434 HydrophobicContact CG2-CD1 4.34Å; I430-L434 HydrophobicContact CG2-CG 4.2Å; I430-L434 PolarHBondContact O-N 3.33Å; A431-L434 PolarHBondContact O-N 2.66Å; L434-A436 VanDerWaalsContact C-N 3.32Å; L434-N437 CarbonylContact O-C 3.52Å; L434-S438 VanDerWaalsContact O-CA 3.31Å; L434-S438 WeakPolarHBondContact O-CA 3.36Å; L434-S438 PolarHBondContact O-N 3.03Å; L434-S438 VanDerWaalsContact O-N 3.1Å; L434-L440 HydrophobicContact CD2-CB 4.07Å; L434-L440 HydrophobicContact CD2-CD1 4.3Å; L434-V445 HydrophobicContact CD2-CG2 4.45Å
435	E	98.8	Very high	98.7	Very high	56 Å²	56	17.3 Å²	17.3	26%	0.262	9%	0.093	S	C	.	.	H	α-helix	trans	-66.6	-35.9	166.8	-174.7	-178.2	179.9	0	0	111.3	Y194 T195 G196 K197 V199 A431	Y194-E435 HydrophobicContact CD1-CB 4.32Å; Y194-E435 HydrophobicContact CD1-CG 4.08Å; T195-E435 PolarHBondContact N-OE2 3.06Å; G196-E435 PolarHBondContact N-OE2 2.74Å; K197-E435 HydrophobicContact CB-CG 4.41Å; K197-E435 VanDerWaalsContact CB-OE1 3.32Å; K197-E435 WeakPolarHBondContact CB-OE1 3.47Å; K197-E435 PolarHBondContact N-OE2 3.42Å; V199-E435 HydrophobicContact CG2-CB 4.44Å; A431-E435 PolarHBondContact O-N 2.71Å; A431-E435 VanDerWaalsContact O-N 3.1Å
436	A	98.4	Very high	98.7	Very high	16 Å²	16	17.5 Å²	17.5	13%	0.132	9%	0.094	C	C	.	.	H	α-helix	trans	-71.4	-32.5	176.3	0	0	0	0	0	113.6	Y194 L432 A433 L434 V487 A490	Y194-A436 HydrophobicContact CD1-CB 3.89Å; Y194-A436 VanDerWaalsContact CE1-CA 3.43Å; Y194-A436 HydrophobicContact CE1-CB 3.54Å; Y194-A436 HydrophobicContact CE2-CB 4.23Å; Y194-A436 HydrophobicContact CG-CB 4.39Å; L432-A436 PolarHBondContact O-N 3.44Å; A433-A436 CarbonylContact O-C 3.45Å; A433-A436 WeakPolarHBondContact O-CB 3.31Å; A433-A436 PolarHBondContact O-N 2.84Å; L434-A436 VanDerWaalsContact C-N 3.32Å; A436-V487 HydrophobicContact CB-CB 4.05Å; A436-V487 HydrophobicContact CB-CG1 4.46Å; A436-A490 HydrophobicContact CB-CB 4.33Å
437	N	98.4	Very high	98.7	Very high	30 Å²	30	17.5 Å²	17.5	16%	0.16	9%	0.093	C	C	.	.			trans	-156	104.7	173.9	-177.1	-3.9	0	0	0	110.8	A433 L434 Q439 L440 A490	A433-N437 PolarHBondContact O-N 3.46Å; L434-N437 CarbonylContact O-C 3.52Å; N437-Q439 PolarHBondContact O-N 2.79Å; N437-Q439 WeakPolarHBondContact OD1-CB 3.15Å; N437-Q439 PolarHBondContact OD1-N 3.5Å; N437-L440 HydrophobicContact CB-CD1 4.32Å; N437-L440 HydrophobicContact CB-CD2 4.44Å; N437-L440 HydrophobicContact CB-CG 4.04Å; N437-L440 WeakPolarHBondContact O-CG 3.19Å; N437-A490 HydrophobicContact CB-CB 4.41Å; N437-A490 VanDerWaalsContact CB-O 3.29Å; N437-A490 WeakPolarHBondContact CB-O 3.32Å; N437-A490 PolarHBondContact ND2-O 3.01Å
438	S	97.4	Very high	98.7	Very high	65 Å²	65	17.5 Å²	17.5	46%	0.455	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-16.4	-178.7	64.8	0	0	0	0	113.9	R334 L337 L434 L440	R334-S438 PolarHBondContact NH2-O 3.4Å; L337-S438 VanDerWaalsContact CD1-O 3.31Å; L337-S438 WeakPolarHBondContact CD1-O 3.35Å; L434-S438 VanDerWaalsContact O-CA 3.31Å; L434-S438 WeakPolarHBondContact O-CA 3.36Å; L434-S438 PolarHBondContact O-N 3.03Å; L434-S438 VanDerWaalsContact O-N 3.1Å; S438-L440 VanDerWaalsContact C-N 3.3Å; S438-L440 PolarHBondContact O-N 3.25Å
439	Q	97.9	Very high	98.7	Very high	123 Å²	123	17.5 Å²	17.5	58%	0.575	9%	0.094	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.7	1.2	-175.1	-53.5	-58.4	-81.7	0	0	113.7	L337 N437 T441	L337-Q439 WeakPolarHBondContact CD2-O 3.44Å; N437-Q439 PolarHBondContact O-N 2.79Å; N437-Q439 WeakPolarHBondContact OD1-CB 3.15Å; N437-Q439 PolarHBondContact OD1-N 3.5Å; Q439-T441 PolarHBondContact O-N 2.65Å
440	L	98.6	Very high	98.6	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.005	10%	0.095	C	C	.	.			trans	-62.5	129.3	173.5	-62	174.5	0	0	0	110.3	R334 A433 L434 N437 S438 D444 V445 L448 A490 W493	R334-L440 PolarHBondContact NH1-O 3.48Å; A433-L440 HydrophobicContact CB-CD1 4.49Å; L434-L440 HydrophobicContact CD2-CB 4.07Å; L434-L440 HydrophobicContact CD2-CD1 4.3Å; N437-L440 HydrophobicContact CB-CD1 4.32Å; N437-L440 HydrophobicContact CB-CD2 4.44Å; N437-L440 HydrophobicContact CB-CG 4.04Å; N437-L440 WeakPolarHBondContact O-CG 3.19Å; S438-L440 VanDerWaalsContact C-N 3.3Å; S438-L440 PolarHBondContact O-N 3.25Å; L440-D444 HydrophobicContact CB-CB 4.1Å; L440-D444 HydrophobicContact CD2-CB 3.9Å; L440-V445 HydrophobicContact CB-CG2 4.14Å; L440-V445 HydrophobicContact CD1-CG2 4.42Å; L440-L448 HydrophobicContact CD1-CD1 3.53Å; L440-L448 HydrophobicContact CD2-CD1 3.67Å; L440-L448 HydrophobicContact CG-CD1 4.23Å; L440-A490 HydrophobicContact CD1-CB 3.91Å; L440-W493 HydrophobicContact CD2-CB 3.79Å; L440-W493 VanDerWaalsContact CD2-CD1 3.5Å; L440-W493 HydrophobicContact CD2-CG 3.76Å
441	T	98.8	Very high	98.5	Very high	29 Å²	29	21.7 Å²	21.7	18%	0.178	11%	0.112	C	C	.	.			trans	-77.4	167.5	168.5	68	0	0	0	0	111.6	L337 Q439 R443 D444 V445	L337-T441 HydrophobicContact CD2-CG2 4.04Å; L337-T441 CarbonylContact O-C 3.48Å; L337-T441 WeakPolarHBondContact O-CA 3.4Å; L337-T441 VanDerWaalsContact O-CB 3.32Å; L337-T441 WeakPolarHBondContact O-CB 2.98Å; Q439-T441 PolarHBondContact O-N 2.65Å; T441-R443 PolarHBondContact O-N 2.99Å; T441-R443 PolarHBondContact OG1-N 3.18Å; T441-D444 VanDerWaalsContact CB-OD2 3.29Å; T441-D444 WeakPolarHBondContact CB-OD2 3.32Å; T441-D444 WeakPolarHBondContact CG2-OD2 3.46Å; T441-D444 PolarHBondContact N-OD2 3.22Å; T441-D444 PolarHBondContact O-N 3.23Å; T441-D444 VanDerWaalsContact O-N 3.09Å; T441-D444 PolarHBondContact OG1-N 3.49Å; T441-D444 VanDerWaalsContact OG1-N 3.17Å; T441-D444 PolarHBondContact OG1-OD2 2.81Å; T441-V445 PolarHBondContact O-N 3.5Å; T441-V445 VanDerWaalsContact O-N 3.13Å
442	W	98.8	Very high	98.5	Very high	20 Å²	20	22.2 Å²	22.2	8%	0.076	12%	0.115	C	C	.	.	H	α-helix	trans	-54.3	-35.2	173	70.3	-84.6	0	0	0	113	I330 L337 I340 I364 Y365 Q446	I330-W442 HydrophobicContact CB-CD2 4.08Å; I330-W442 HydrophobicContact CB-CG 4.17Å; I330-W442 HydrophobicContact CB-CZ2 4.4Å; I330-W442 HydrophobicContact CD1-CZ2 3.77Å; I330-W442 HydrophobicContact CG2-CD2 4.06Å; I330-W442 HydrophobicContact CG2-CE3 4.42Å; I330-W442 HydrophobicContact CG2-CG 4.2Å; I330-W442 PolarHBondContact O-NE1 2.82Å; L337-W442 PolarHBondContact O-N 2.8Å; I340-W442 HydrophobicContact CG1-CB 4.31Å; I364-W442 WeakPolarHBondContact O-CZ3 2.71Å; Y365-W442 HydrophobicContact CD1-CH2 4.17Å; Y365-W442 HydrophobicContact CD1-CZ3 4.49Å; W442-Q446 PolarHBondContact O-N 2.99Å
443	R	98.6	Very high	98.5	Very high	16 Å²	16	22.8 Å²	22.8	6%	0.06	12%	0.12	C	C	.	.	H	α-helix	trans	-73.1	-40.4	174.2	-81.7	166.4	63.2	-121.6	6.7	112.9	T441 V445 Q446 H447 V496 P497 E540 T632	T441-R443 PolarHBondContact O-N 2.99Å; T441-R443 PolarHBondContact OG1-N 3.18Å; R443-V445 PolarHBondContact O-N 3.25Å; R443-Q446 PolarHBondContact O-N 3.33Å; R443-H447 PolarHBondContact O-CD2 3.47Å; R443-H447 PolarHBondContact O-N 3.15Å; R443-V496 HydrophobicContact CB-CG2 4.22Å; R443-P497 VanDerWaalsContact CZ-O 3.31Å; R443-P497 PolarHBondContact NH1-O 2.84Å; R443-P497 PolarHBondContact NH2-O 2.57Å; R443-E540 IonicContact CZ-OE1 3.47Å; R443-E540 IonicContact CZ-OE2 3.48Å; R443-E540 IonicContact NE-OE1 2.77Å; R443-E540 PolarHBondContact NE-OE1 2.79Å; R443-E540 IonicContact NE-OE2 3.46Å; R443-E540 PolarHBondContact NE-OE2 2.86Å; R443-E540 IonicContact NH2-OE1 2.67Å; R443-E540 PolarHBondContact NH2-OE1 2.86Å; R443-E540 IonicContact NH2-OE2 2.69Å; R443-T632 VanDerWaalsContact NH2-CG2 3.28Å
444	D	98.8	Very high	98.3	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-59	-39	177.4	-66	-54.4	0	0	0	111.5	L440 T441 H447 L448 W493 A495 V496	L440-D444 HydrophobicContact CB-CB 4.1Å; L440-D444 HydrophobicContact CD2-CB 3.9Å; T441-D444 VanDerWaalsContact CB-OD2 3.29Å; T441-D444 WeakPolarHBondContact CB-OD2 3.32Å; T441-D444 WeakPolarHBondContact CG2-OD2 3.46Å; T441-D444 PolarHBondContact N-OD2 3.22Å; T441-D444 PolarHBondContact O-N 3.23Å; T441-D444 VanDerWaalsContact O-N 3.09Å; T441-D444 PolarHBondContact OG1-N 3.49Å; T441-D444 VanDerWaalsContact OG1-N 3.17Å; T441-D444 PolarHBondContact OG1-OD2 2.81Å; D444-H447 PolarHBondContact O-N 2.72Å; D444-L448 VanDerWaalsContact O-CB 3.27Å; D444-L448 WeakPolarHBondContact O-CB 3.36Å; D444-L448 WeakPolarHBondContact O-CD1 3.47Å; D444-L448 VanDerWaalsContact O-CG 3.26Å; D444-L448 WeakPolarHBondContact O-CG 3.41Å; D444-L448 PolarHBondContact O-N 2.82Å; D444-W493 VanDerWaalsContact CG-NE1 3.33Å; D444-W493 PolarHBondContact OD1-NE1 2.96Å; D444-A495 WeakPolarHBondContact OD1-CA 3.13Å; D444-V496 PolarHBondContact OD1-N 2.73Å
445	V	98.9	Very high	98.1	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.012	15%	0.145	C	C	.	.	H	α-helix	trans	-63	-41	174.2	177	0	0	0	0	111.7	I340 I367 I430 L434 L440 T441 R443 L448 L449	I340-V445 HydrophobicContact CD1-CG2 3.88Å; I340-V445 HydrophobicContact CG1-CG2 4.43Å; I367-V445 HydrophobicContact CD1-CB 4.5Å; I367-V445 HydrophobicContact CD1-CG1 3.71Å; I430-V445 HydrophobicContact CB-CG1 4.41Å; I430-V445 HydrophobicContact CD1-CG1 3.71Å; I430-V445 HydrophobicContact CG1-CG1 3.74Å; I430-V445 HydrophobicContact CG2-CG1 3.75Å; I430-V445 HydrophobicContact CG2-CG2 4.26Å; L434-V445 HydrophobicContact CD2-CG2 4.45Å; L440-V445 HydrophobicContact CB-CG2 4.14Å; L440-V445 HydrophobicContact CD1-CG2 4.42Å; T441-V445 PolarHBondContact O-N 3.5Å; T441-V445 VanDerWaalsContact O-N 3.13Å; R443-V445 PolarHBondContact O-N 3.25Å; V445-L448 PolarHBondContact O-N 3.42Å; V445-L449 HydrophobicContact CG1-CD1 4.27Å; V445-L449 WeakPolarHBondContact O-CG 3.47Å; V445-L449 PolarHBondContact O-N 2.96Å
446	Q	98.9	Very high	97.6	Very high	3 Å²	3	28.2 Å²	28.2	1%	0.014	15%	0.153	C	C	.	.	H	α-helix	trans	-65.1	-47.5	174.5	-67.6	-175.8	7.5	0	0	111.9	I364 I367 L389 W442 R443 L448 L449 V450 H541 W594	I364-Q446 PolarHBondContact O-NE2 2.8Å; I364-Q446 VanDerWaalsContact O-NE2 3.13Å; I367-Q446 HydrophobicContact CD1-CG 4.17Å; I367-Q446 HydrophobicContact CG1-CG 3.89Å; L389-Q446 HydrophobicContact CD2-CB 3.98Å; L389-Q446 HydrophobicContact CD2-CG 3.99Å; W442-Q446 PolarHBondContact O-N 2.99Å; R443-Q446 PolarHBondContact O-N 3.33Å; Q446-L448 VanDerWaalsContact C-N 3.31Å; Q446-L448 PolarHBondContact O-N 2.96Å; Q446-L449 PolarHBondContact O-N 3.09Å; Q446-V450 VanDerWaalsContact O-CG2 3.31Å; Q446-V450 WeakPolarHBondContact O-CG2 3.11Å; Q446-V450 PolarHBondContact O-N 2.88Å; Q446-H541 PolarHBondContact OE1-CE1 2.83Å; Q446-H541 PolarHBondContact OE1-NE2 2.68Å; Q446-W594 HydrophobicContact CB-CH2 3.69Å; Q446-W594 HydrophobicContact CB-CZ2 4.17Å
447	H	98.8	Very high	97.2	Very high	1 Å²	1	30 Å²	30	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-59.2	-39.3	174.8	-84.2	-88.8	0	0	0	112.9	R443 D444 V450 K451 W493 V496 E540 W594 Y637	R443-H447 PolarHBondContact O-CD2 3.47Å; R443-H447 PolarHBondContact O-N 3.15Å; D444-H447 PolarHBondContact O-N 2.72Å; H447-V450 PolarHBondContact O-N 3.27Å; H447-K451 VanDerWaalsContact O-CB 3.27Å; H447-K451 WeakPolarHBondContact O-CB 3.34Å; H447-K451 PolarHBondContact O-N 2.84Å; H447-W493 HydrophobicContact CB-CH2 3.86Å; H447-W493 HydrophobicContact CB-CZ2 3.55Å; H447-V496 HydrophobicContact CB-CG1 4.42Å; H447-E540 IonicContact NE2-OE1 3.75Å; H447-W594 AromaticContact CD2-CZ2 3.7Å; H447-W594 AromaticContact CE1-CE2 3.94Å; H447-W594 AromaticContact CE1-CZ2 4Å; H447-W594 AromaticContact CE1-NE1 3.3Å; H447-W594 PolarHBondContact CE1-NE1 2.86Å; H447-W594 VanDerWaalsContact CE1-NE1 3.3Å; H447-W594 AromaticContact CG-CZ2 3.86Å; H447-W594 AromaticContact CG-NE1 3.83Å; H447-W594 AromaticContact ND1-CE2 3.93Å; H447-W594 AromaticContact ND1-NE1 3.19Å; H447-W594 PolarHBondContact ND1-NE1 3.42Å; H447-W594 VanDerWaalsContact ND1-NE1 3.19Å; H447-W594 AromaticContact NE2-CZ2 3.79Å; H447-W594 AromaticContact NE2-NE1 3.98Å; H447-Y637 HydrophobicContact CB-CE1 4.31Å; H447-Y637 AromaticContact ND1-CE1 3.61Å; H447-Y637 AromaticContact ND1-CZ 3.65Å; H447-Y637 PolarHBondContact ND1-OH 2.92Å
448	L	98.7	Very high	97	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-62.2	-49.4	175	-82.4	165.4	0	0	0	110.8	L440 D444 V445 Q446 V450 K451 T452 L486 E489 A490 W493	L440-L448 HydrophobicContact CD1-CD1 3.53Å; L440-L448 HydrophobicContact CD2-CD1 3.67Å; L440-L448 HydrophobicContact CG-CD1 4.23Å; D444-L448 VanDerWaalsContact O-CB 3.27Å; D444-L448 WeakPolarHBondContact O-CB 3.36Å; D444-L448 WeakPolarHBondContact O-CD1 3.47Å; D444-L448 VanDerWaalsContact O-CG 3.26Å; D444-L448 WeakPolarHBondContact O-CG 3.41Å; D444-L448 PolarHBondContact O-N 2.82Å; V445-L448 PolarHBondContact O-N 3.42Å; Q446-L448 VanDerWaalsContact C-N 3.31Å; Q446-L448 PolarHBondContact O-N 2.96Å; L448-V450 VanDerWaalsContact C-N 3.34Å; L448-V450 PolarHBondContact O-N 3.48Å; L448-K451 PolarHBondContact O-N 3.04Å; L448-T452 WeakPolarHBondContact O-CG2 3.42Å; L448-T452 PolarHBondContact O-N 3.44Å; L448-T452 PolarHBondContact O-OG1 3.17Å; L448-T452 VanDerWaalsContact O-OG1 3.09Å; L448-L486 HydrophobicContact CB-CD1 3.68Å; L448-E489 HydrophobicContact CD2-CB 3.65Å; L448-E489 HydrophobicContact CD2-CG 3.57Å; L448-A490 HydrophobicContact CD1-CB 4.1Å; L448-W493 HydrophobicContact CD1-CD2 4.37Å; L448-W493 HydrophobicContact CD1-CG 4.44Å; L448-W493 HydrophobicContact CD2-CD2 3.9Å; L448-W493 HydrophobicContact CD2-CE3 3.37Å; L448-W493 HydrophobicContact CD2-CH2 4.29Å; L448-W493 HydrophobicContact CD2-CZ3 3.58Å; L448-W493 HydrophobicContact CG-CD2 3.94Å; L448-W493 HydrophobicContact CG-CE3 3.86Å; L448-W493 HydrophobicContact CG-CH2 4.21Å; L448-W493 HydrophobicContact CG-CZ2 4.35Å; L448-W493 HydrophobicContact CG-CZ3 3.97Å
449	L	98.8	Very high	96.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-59	-42.7	176.3	-71.8	167.2	0	0	0	112.2	I367 L389 V426 I430 V445 Q446 K451 S453 V481 L486	I367-L449 HydrophobicContact CD1-CD1 4.02Å; I367-L449 HydrophobicContact CG2-CD1 3.66Å; L389-L449 HydrophobicContact CD2-CB 4.02Å; L389-L449 HydrophobicContact CD2-CD1 3.99Å; V426-L449 HydrophobicContact CG1-CD1 4.48Å; I430-L449 HydrophobicContact CD1-CD1 4.3Å; V445-L449 HydrophobicContact CG1-CD1 4.27Å; V445-L449 WeakPolarHBondContact O-CG 3.47Å; V445-L449 PolarHBondContact O-N 2.96Å; Q446-L449 PolarHBondContact O-N 3.09Å; L449-K451 PolarHBondContact O-N 3.04Å; L449-S453 WeakPolarHBondContact O-CB 3.05Å; L449-S453 PolarHBondContact O-N 3.28Å; L449-S453 PolarHBondContact O-OG 3.43Å; L449-V481 HydrophobicContact CD2-CG1 3.83Å; L449-V481 HydrophobicContact CD2-CG2 3.84Å; L449-L486 HydrophobicContact CD2-CD1 4.04Å; L449-L486 HydrophobicContact CD2-CD2 4.36Å; L449-L486 HydrophobicContact CG-CD1 4.27Å
450	V	98.4	Very high	96.8	Very high	4 Å²	4	25.5 Å²	25.5	2%	0.024	13%	0.131	C	C	.	.	H	α-helix	trans	-60.7	-31.7	175	166.1	0	0	0	0	112.7	L389 Q446 H447 L448 H470 F478 W594	L389-V450 HydrophobicContact CD1-CG2 3.7Å; L389-V450 HydrophobicContact CG-CG2 4.29Å; Q446-V450 VanDerWaalsContact O-CG2 3.31Å; Q446-V450 WeakPolarHBondContact O-CG2 3.11Å; Q446-V450 PolarHBondContact O-N 2.88Å; H447-V450 PolarHBondContact O-N 3.27Å; L448-V450 VanDerWaalsContact C-N 3.34Å; L448-V450 PolarHBondContact O-N 3.48Å; V450-H470 PolarHBondContact O-ND1 2.97Å; V450-F478 HydrophobicContact CB-CD1 4.44Å; V450-F478 HydrophobicContact CB-CE1 4.5Å; V450-F478 HydrophobicContact CB-CG 4.45Å; V450-F478 HydrophobicContact CG1-CD1 3.92Å; V450-F478 HydrophobicContact CG1-CE1 3.68Å; V450-F478 HydrophobicContact CG1-CE2 4.46Å; V450-F478 HydrophobicContact CG1-CG 4.41Å; V450-F478 HydrophobicContact CG1-CZ 3.98Å; V450-F478 HydrophobicContact CG2-CD2 3.83Å; V450-F478 HydrophobicContact CG2-CE1 4.42Å; V450-F478 HydrophobicContact CG2-CE2 3.73Å; V450-F478 HydrophobicContact CG2-CG 4.25Å; V450-F478 HydrophobicContact CG2-CZ 4.04Å; V450-W594 HydrophobicContact CG1-CB 4.33Å; V450-W594 HydrophobicContact CG1-CD2 4.49Å; V450-W594 HydrophobicContact CG1-CG 3.96Å; V450-W594 HydrophobicContact CG2-CD2 3.88Å; V450-W594 HydrophobicContact CG2-CE3 4.19Å; V450-W594 HydrophobicContact CG2-CG 4.16Å
451	K	96.9	Very high	96.7	Very high	83 Å²	83	31.1 Å²	31.1	36%	0.361	17%	0.171	S	C	.	.	H	α-helix	trans	-90.2	-29.6	-176.4	-166.9	-177.5	-172	-177.7	0	113.7	H447 L448 L449 E489 W493	H447-K451 VanDerWaalsContact O-CB 3.27Å; H447-K451 WeakPolarHBondContact O-CB 3.34Å; H447-K451 PolarHBondContact O-N 2.84Å; L448-K451 PolarHBondContact O-N 3.04Å; L449-K451 PolarHBondContact O-N 3.04Å; K451-E489 HydrophobicContact CD-CG 4.09Å; K451-E489 WeakPolarHBondContact CE-OE1 3.37Å; K451-E489 IonicContact NZ-OE1 3.33Å; K451-E489 PolarHBondContact NZ-OE1 3.09Å; K451-W493 HydrophobicContact CD-CH2 4.11Å; K451-W493 HydrophobicContact CD-CZ3 3.7Å
452	T	98	Very high	96.5	Very high	11 Å²	11	31 Å²	31	7%	0.067	17%	0.169	C	C	.	.	H	α-helix	trans	-111.5	-14.1	-173.1	70	0	0	0	0	114.8	L448 A485 L486 E489	L448-T452 WeakPolarHBondContact O-CG2 3.42Å; L448-T452 PolarHBondContact O-N 3.44Å; L448-T452 PolarHBondContact O-OG1 3.17Å; L448-T452 VanDerWaalsContact O-OG1 3.09Å; T452-A485 HydrophobicContact CG2-CB 4.11Å; T452-L486 VanDerWaalsContact OG1-CD1 3.24Å; T452-L486 WeakPolarHBondContact OG1-CD1 3.5Å; T452-E489 HydrophobicContact CG2-CB 3.86Å; T452-E489 HydrophobicContact CG2-CG 4.21Å
453	S	98.1	Very high	96.5	Very high	13 Å²	13	33 Å²	33	9%	0.091	18%	0.177	C	C	.	.			trans	-68.1	152.7	170.3	-56.2	0	0	0	0	111	L449 F478 L480	L449-S453 WeakPolarHBondContact O-CB 3.05Å; L449-S453 PolarHBondContact O-N 3.28Å; L449-S453 PolarHBondContact O-OG 3.43Å; S453-F478 CarbonylContact C-O 3.52Å; S453-L480 CarbonylContact C-O 3.28Å; S453-L480 WeakPolarHBondContact CA-O 3.07Å
454	R	95.1	Very high	96.4	Very high	89 Å²	89	37.2 Å²	37.2	34%	0.336	20%	0.195	S	C	.	.	B	Isolated β-bridge	trans	-137.1	140	-172.7	-56.7	-176.8	-62.9	-143.9	-8.1	111.6	E183 N185 A456 G479 L480 D482	E183-R454 PolarHBondContact O-NH2 2.99Å; N185-R454 PolarHBondContact ND2-NH2 3.43Å; N185-R454 VanDerWaalsContact ND2-NH2 3.12Å; R454-A456 HydrophobicContact CB-CB 4.26Å; R454-A456 PolarHBondContact O-N 2.72Å; R454-A456 VanDerWaalsContact O-N 3.13Å; R454-G479 CarbonylContact O-C 3.44Å; R454-L480 PolarHBondContact N-O 3.15Å; R454-L480 PolarHBondContact O-N 3.19Å; R454-D482 IonicContact CZ-OD2 3.72Å; R454-D482 IonicContact NE-OD2 3.84Å; R454-D482 IonicContact NH1-OD2 3.58Å; R454-D482 PolarHBondContact NH1-OD2 2.9Å; R454-D482 IonicContact NH2-OD2 3.05Å; R454-D482 PolarHBondContact NH2-OD2 2.92Å
455	P	94.3	Very high	96.4	Very high	36 Å²	36	41.5 Å²	41.5	23%	0.234	22%	0.221	C	C	.	.			trans	-55.1	-28.3	166	-28.3	36.3	0	0	0	113.5	H457 L458 W463 K471	P455-H457 PolarHBondContact O-N 2.04Å; P455-L458 WeakPolarHBondContact O-CA 3.45Å; P455-L458 WeakPolarHBondContact O-CB 3.48Å; P455-L458 WeakPolarHBondContact O-CG 3.48Å; P455-L458 PolarHBondContact O-N 3.1Å; P455-W463 HydrophobicContact CB-CD2 4.39Å; P455-W463 HydrophobicContact CB-CH2 3.9Å; P455-W463 HydrophobicContact CB-CZ2 3.66Å; P455-W463 HydrophobicContact CB-CZ3 4.31Å; P455-W463 HydrophobicContact CG-CE3 4.27Å; P455-W463 HydrophobicContact CG-CH2 3.88Å; P455-W463 HydrophobicContact CG-CZ2 4.17Å; P455-W463 HydrophobicContact CG-CZ3 3.92Å; P455-K471 HydrophobicContact CG-CB 3.66Å; P455-K471 HydrophobicContact CG-CD 3.86Å; P455-K471 HydrophobicContact CG-CG 4.4Å
456	A	89.5	Confident	96.3	Very high	50 Å²	50	41.8 Å²	41.8	41%	0.413	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	-134.8	169.4	0	0	0	0	0	112	E183 R454 L458 L480	E183-A456 WeakPolarHBondContact OE2-CB 3.18Å; R454-A456 HydrophobicContact CB-CB 4.26Å; R454-A456 PolarHBondContact O-N 2.72Å; R454-A456 VanDerWaalsContact O-N 3.13Å; A456-L458 VanDerWaalsContact C-N 3.32Å; A456-L480 HydrophobicContact CB-CB 4.17Å; A456-L480 HydrophobicContact CB-CD2 4.35Å
457	H	89.8	Confident	96.3	Very high	54 Å²	54	43.8 Å²	43.8	25%	0.25	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	7	169.4	70.1	-70.7	0	0	0	114.7	E183 G376 Y393 P455	E183-H457 IonicContact OE2-CE1 3.58Å; E183-H457 IonicContact OE2-CG 3.13Å; E183-H457 PolarHBondContact OE2-N 2.8Å; E183-H457 VanDerWaalsContact OE2-N 3.14Å; E183-H457 IonicContact OE2-ND1 3.67Å; E183-H457 PolarHBondContact OE2-ND1 3.14Å; G376-H457 VanDerWaalsContact CA-CD2 3.48Å; G376-H457 WeakPolarHBondContact CA-CD2 3.4Å; G376-H457 WeakPolarHBondContact CA-NE2 3.49Å; Y393-H457 AromaticContact CE1-CE1 3.56Å; Y393-H457 AromaticContact CE1-NE2 3.57Å; Y393-H457 AromaticContact CZ-CE1 3.6Å; Y393-H457 PolarHBondContact OH-CE1 3.38Å; P455-H457 PolarHBondContact O-N 2.04Å
458	L	94.7	Very high	96.1	Very high	10 Å²	10	45.9 Å²	45.9	5%	0.052	26%	0.262	C	S	.	.			trans	-74.7	129.2	-172.7	-56.1	-174.3	0	0	0	113.1	A372 T391 P455 A456 W463 Y476 L480	A372-L458 HydrophobicContact CB-CD2 3.38Å; T391-L458 HydrophobicContact CG2-CD1 4.06Å; P455-L458 WeakPolarHBondContact O-CA 3.45Å; P455-L458 WeakPolarHBondContact O-CB 3.48Å; P455-L458 WeakPolarHBondContact O-CG 3.48Å; P455-L458 PolarHBondContact O-N 3.1Å; A456-L458 VanDerWaalsContact C-N 3.32Å; L458-W463 HydrophobicContact CB-CZ2 4.22Å; L458-W463 PolarHBondContact O-NE1 2.94Å; L458-Y476 HydrophobicContact CB-CD2 3.96Å; L458-Y476 HydrophobicContact CB-CE2 3.74Å; L458-Y476 HydrophobicContact CD1-CD1 4.08Å; L458-Y476 HydrophobicContact CD1-CD2 4.08Å; L458-Y476 HydrophobicContact CD1-CE1 4.47Å; L458-Y476 HydrophobicContact CD1-CE2 4.45Å; L458-Y476 HydrophobicContact CD1-CG 3.87Å; L458-L480 HydrophobicContact CD1-CB 3.98Å; L458-L480 HydrophobicContact CG-CB 4.37Å
459	K	94.8	Very high	96	Very high	90 Å²	90	48.4 Å²	48.4	39%	0.391	29%	0.288	S	S	.	.			trans	-102.6	110.7	-175.3	-60.1	155.8	-171.8	160.4	0	109.5	N375 G376 Y377 Y476	N375-K459 WeakPolarHBondContact O-CE 3.16Å; N375-K459 PolarHBondContact O-NZ 2.81Å; G376-K459 WeakPolarHBondContact O-CB 3.31Å; G376-K459 PolarHBondContact O-N 3.15Å; Y377-K459 HydrophobicContact CD1-CB 4.35Å; Y377-K459 HydrophobicContact CD1-CD 3.82Å; Y377-K459 HydrophobicContact CD2-CD 4.45Å; Y377-K459 HydrophobicContact CE1-CB 4.48Å; Y377-K459 HydrophobicContact CE1-CD 3.39Å; Y377-K459 HydrophobicContact CE2-CD 4.07Å; Y377-K459 VanDerWaalsContact CE2-NZ 3.27Å; Y377-K459 HydrophobicContact CG-CD 4.33Å; Y377-K459 PolarHBondContact OH-NZ 3.27Å; Y377-K459 VanDerWaalsContact OH-NZ 3.14Å; K459-Y476 WeakPolarHBondContact O-CE2 3.43Å; K459-Y476 PolarHBondContact O-OH 3.28Å
460	A	95.9	Very high	95.9	Very high	22 Å²	22	50.3 Å²	50.3	18%	0.182	30%	0.297	C	S	.	.			trans	-134.7	149.7	165.2	0	0	0	0	0	109	D462 W463 F475 Y476	A460-D462 WeakPolarHBondContact CB-OD1 3.47Å; A460-W463 HydrophobicContact CB-CG 4.32Å; A460-F475 HydrophobicContact CB-CD2 3.54Å; A460-F475 HydrophobicContact CB-CE2 3.99Å; A460-F475 HydrophobicContact CB-CG 4.29Å; A460-Y476 HydrophobicContact CB-CD2 3.96Å; A460-Y476 HydrophobicContact CB-CE2 3.67Å
461	S	95.4	Very high	95.9	Very high	120 Å²	120	55.8 Å²	55.8	84%	0.839	32%	0.32	S	S	*	.	S	Bend	trans	-85.9	-10.5	175.6	46.1	0	0	0	0	113.2
462	D	96.3	Very high	95.9	Very high	26 Å²	26	52 Å²	52	14%	0.139	31%	0.305	C	S	.	.			trans	-104.4	-0.9	-174	83.4	-47.2	0	0	0	114.2	A460 K464 S473 H474	A460-D462 WeakPolarHBondContact CB-OD1 3.47Å; D462-K464 WeakPolarHBondContact O-CG 3.46Å; D462-K464 PolarHBondContact O-N 3.08Å; D462-K464 VanDerWaalsContact O-N 3.11Å; D462-S473 WeakPolarHBondContact OD1-CB 3.44Å; D462-S473 PolarHBondContact OD1-OG 2.9Å; D462-S473 WeakPolarHBondContact OD2-CA 3.22Å; D462-H474 IonicContact OD2-CE1 2.65Å; D462-H474 IonicContact OD2-CG 2.8Å; D462-H474 PolarHBondContact OD2-N 3.16Å; D462-H474 IonicContact OD2-ND1 3.96Å; D462-H474 PolarHBondContact OD2-ND1 2.8Å
463	W	97.8	Very high	96	Very high	61 Å²	61	51.6 Å²	51.6	23%	0.231	30%	0.302	C	S	.	.			trans	-47.2	114.5	176.8	-85.8	128.8	0	0	0	111.4	P455 L458 A460 K471 V472 Y476	P455-W463 HydrophobicContact CB-CD2 4.39Å; P455-W463 HydrophobicContact CB-CH2 3.9Å; P455-W463 HydrophobicContact CB-CZ2 3.66Å; P455-W463 HydrophobicContact CB-CZ3 4.31Å; P455-W463 HydrophobicContact CG-CE3 4.27Å; P455-W463 HydrophobicContact CG-CH2 3.88Å; P455-W463 HydrophobicContact CG-CZ2 4.17Å; P455-W463 HydrophobicContact CG-CZ3 3.92Å; L458-W463 HydrophobicContact CB-CZ2 4.22Å; L458-W463 PolarHBondContact O-NE1 2.94Å; A460-W463 HydrophobicContact CB-CG 4.32Å; W463-K471 HydrophobicContact CE3-CB 4.28Å; W463-K471 HydrophobicContact CZ3-CB 4.41Å; W463-V472 WeakPolarHBondContact CA-O 3.32Å; W463-V472 VanDerWaalsContact CE3-C 3.46Å; W463-Y476 HydrophobicContact CH2-CD2 4.33Å; W463-Y476 AromaticContact CZ2-CD2 3.62Å; W463-Y476 HydrophobicContact CZ2-CD2 3.62Å; W463-Y476 HydrophobicContact CZ2-CE2 4.49Å; W463-Y476 HydrophobicContact CZ2-CG 4.34Å
464	K	97	Very high	96	Very high	105 Å²	105	51.4 Å²	51.4	46%	0.457	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	156.3	178.2	-74.6	155.9	-170.7	166.3	0	110.8	D462 K471 V472	D462-K464 WeakPolarHBondContact O-CG 3.46Å; D462-K464 PolarHBondContact O-N 3.08Å; D462-K464 VanDerWaalsContact O-N 3.11Å; K464-K471 CarbonylContact O-C 3.5Å; K464-K471 VanDerWaalsContact O-CA 3.28Å; K464-K471 WeakPolarHBondContact O-CA 3.46Å; K464-V472 PolarHBondContact N-O 2.81Å; K464-V472 PolarHBondContact O-N 3.44Å
465	V	98.1	Very high	96.1	Very high	90 Å²	90	48.7 Å²	48.7	55%	0.545	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	128.4	166.4	-178.5	0	0	0	0	107.5	H470 K471	V465-H470 CarbonylContact C-O 3.57Å; V465-H470 WeakPolarHBondContact CA-O 3.31Å; V465-K471 HydrophobicContact CG2-CG 3.89Å
466	N	98.1	Very high	96.3	Very high	8 Å²	8	47 Å²	47	4%	0.043	28%	0.279	C	S	.	.			trans	-82.1	175.1	177.3	88.6	-13.1	0	0	0	111.8	A468 G469 H470 V472 T566 H592 W594 E596	N466-A468 PolarHBondContact O-N 2.87Å; N466-A468 VanDerWaalsContact O-N 3.08Å; N466-A468 WeakPolarHBondContact OD1-CA 3.28Å; N466-A468 PolarHBondContact OD1-N 3.35Å; N466-G469 PolarHBondContact O-N 3.38Å; N466-G469 PolarHBondContact OD1-N 2.78Å; N466-G469 VanDerWaalsContact OD1-N 3.08Å; N466-H470 PolarHBondContact N-O 3.01Å; N466-H470 PolarHBondContact OD1-N 3.14Å; N466-V472 HydrophobicContact CB-CG2 4.45Å; N466-T566 WeakPolarHBondContact CA-OG1 2.94Å; N466-T566 HydrophobicContact CB-CG2 4.1Å; N466-H592 VanDerWaalsContact CB-O 3.25Å; N466-H592 WeakPolarHBondContact CB-O 3.26Å; N466-H592 PolarHBondContact ND2-O 3.06Å; N466-W594 PolarHBondContact ND2-O 2.98Å; N466-E596 WeakPolarHBondContact CB-OE1 3.34Å
467	G	97.1	Very high	96.7	Very high	46 Å²	46	44.6 Å²	44.6	47%	0.474	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-13.6	-178	0	0	0	0	0	115.3	T566 E596	G467-T566 PolarHBondContact N-OG1 2.98Å; G467-E596 PolarHBondContact N-OE1 3.18Å
468	A	96.4	Very high	97.1	Very high	45 Å²	45	42.2 Å²	42.2	37%	0.372	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	2.8	175.5	0	0	0	0	0	113.3	N466 G595 E596	N466-A468 PolarHBondContact O-N 2.87Å; N466-A468 VanDerWaalsContact O-N 3.08Å; N466-A468 WeakPolarHBondContact OD1-CA 3.28Å; N466-A468 PolarHBondContact OD1-N 3.35Å; A468-G595 VanDerWaalsContact CB-C 3.49Å; A468-E596 HydrophobicContact CB-CG 4.2Å
469	G	96.1	Very high	97.3	Very high	53 Å²	53	41.7 Å²	41.7	55%	0.546	25%	0.246	S	C	.	.	S	Bend	trans	89.3	0.3	177.5	0	0	0	0	0	115.4	N466	N466-G469 PolarHBondContact O-N 3.38Å; N466-G469 PolarHBondContact OD1-N 2.78Å; N466-G469 VanDerWaalsContact OD1-N 3.08Å
470	H	96.5	Very high	97.4	Very high	41 Å²	41	37.4 Å²	37.4	19%	0.19	23%	0.227	C	C	.	.			trans	-75.2	143.2	175.9	-68.3	-95.6	0	0	0	111.3	V450 V465 N466 F478	V450-H470 PolarHBondContact O-ND1 2.97Å; V465-H470 CarbonylContact C-O 3.57Å; V465-H470 WeakPolarHBondContact CA-O 3.31Å; N466-H470 PolarHBondContact N-O 3.01Å; N466-H470 PolarHBondContact OD1-N 3.14Å; H470-F478 HydrophobicContact CB-CD1 3.9Å; H470-F478 HydrophobicContact CB-CE1 3.57Å; H470-F478 AromaticContact CG-CE1 3.86Å; H470-F478 AromaticContact ND1-CE1 3.99Å
471	K	97.6	Very high	97.5	Very high	118 Å²	118	36.4 Å²	36.4	51%	0.513	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	127.3	170.6	-78.5	-177.2	175	-176.3	0	110.5	P455 W463 K464 V465	P455-K471 HydrophobicContact CG-CB 3.66Å; P455-K471 HydrophobicContact CG-CD 3.86Å; P455-K471 HydrophobicContact CG-CG 4.4Å; W463-K471 HydrophobicContact CE3-CB 4.28Å; W463-K471 HydrophobicContact CZ3-CB 4.41Å; K464-K471 CarbonylContact O-C 3.5Å; K464-K471 VanDerWaalsContact O-CA 3.28Å; K464-K471 WeakPolarHBondContact O-CA 3.46Å; V465-K471 HydrophobicContact CG2-CG 3.89Å
472	V	98.1	Very high	97.6	Very high	5 Å²	5	31 Å²	31	3%	0.03	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	149.4	-175.3	-63.5	0	0	0	0	112.3	W463 K464 N466 G477 F478 H592	W463-V472 WeakPolarHBondContact CA-O 3.32Å; W463-V472 VanDerWaalsContact CE3-C 3.46Å; K464-V472 PolarHBondContact N-O 2.81Å; K464-V472 PolarHBondContact O-N 3.44Å; N466-V472 HydrophobicContact CB-CG2 4.45Å; V472-G477 WeakPolarHBondContact CA-O 3.46Å; V472-F478 HydrophobicContact CG1-CD1 3.71Å; V472-F478 HydrophobicContact CG1-CD2 4.48Å; V472-F478 HydrophobicContact CG1-CE1 3.39Å; V472-F478 HydrophobicContact CG1-CE2 4.21Å; V472-F478 HydrophobicContact CG1-CG 4.25Å; V472-F478 HydrophobicContact CG1-CZ 3.66Å; V472-H592 HydrophobicContact CB-CB 4.46Å; V472-H592 HydrophobicContact CG2-CB 4.08Å
473	S	98.5	Very high	97.7	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.007	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-148.1	139.3	177.7	165.5	0	0	0	0	110	D462 F475 Y476 G477	D462-S473 WeakPolarHBondContact OD1-CB 3.44Å; D462-S473 PolarHBondContact OD1-OG 2.9Å; D462-S473 WeakPolarHBondContact OD2-CA 3.22Å; S473-F475 PolarHBondContact O-N 2.8Å; S473-F475 PolarHBondContact OG-N 2.85Å; S473-F475 VanDerWaalsContact OG-N 3.13Å; S473-Y476 PolarHBondContact O-N 2.98Å; S473-Y476 VanDerWaalsContact O-N 3.14Å; S473-G477 PolarHBondContact N-O 2.71Å; S473-G477 WeakPolarHBondContact O-CA 3.45Å; S473-G477 PolarHBondContact O-N 3.13Å
474	H	98.3	Very high	97.6	Very high	10 Å²	10	29.3 Å²	29.3	5%	0.046	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-14.2	175.9	-52.3	74.8	0	0	0	112.2	E384 C385 D462 Q569 H592	E384-H474 VanDerWaalsContact CA-O 3.24Å; E384-H474 WeakPolarHBondContact CA-O 3.29Å; E384-H474 HydrophobicContact CB-CB 4.33Å; E384-H474 WeakPolarHBondContact CB-O 3.17Å; C385-H474 PolarHBondContact N-O 2.68Å; D462-H474 IonicContact OD2-CE1 2.65Å; D462-H474 IonicContact OD2-CG 2.8Å; D462-H474 PolarHBondContact OD2-N 3.16Å; D462-H474 IonicContact OD2-ND1 3.96Å; D462-H474 PolarHBondContact OD2-ND1 2.8Å; H474-Q569 PolarHBondContact NE2-N 2.96Å; H474-H592 AromaticContact CD2-CE1 3.42Å; H474-H592 PolarHBondContact CD2-CE1 3.17Å; H474-H592 VanDerWaalsContact CD2-CE1 3.42Å; H474-H592 AromaticContact CD2-ND1 3.9Å; H474-H592 AromaticContact CE1-CE1 3.59Å; H474-H592 AromaticContact CE1-ND1 3.71Å; H474-H592 AromaticContact CG-CE1 3.57Å; H474-H592 AromaticContact ND1-CE1 3.69Å; H474-H592 AromaticContact NE2-CE1 3.43Å; H474-H592 PolarHBondContact NE2-CE1 3.25Å; H474-H592 AromaticContact NE2-ND1 3.46Å; H474-H592 PolarHBondContact NE2-ND1 3.15Å
475	F	97.4	Very high	97.7	Very high	31 Å²	31	25.6 Å²	25.6	14%	0.136	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-30.7	174.6	-57.6	-4.5	0	0	0	111.9	K378 L382 E384 A460 S473	K378-F475 HydrophobicContact CB-CD2 4.07Å; K378-F475 HydrophobicContact CB-CE2 4.42Å; K378-F475 HydrophobicContact CD-CD1 4.06Å; K378-F475 HydrophobicContact CD-CD2 3.9Å; K378-F475 HydrophobicContact CD-CE1 4.15Å; K378-F475 HydrophobicContact CD-CE2 3.99Å; K378-F475 HydrophobicContact CD-CG 3.96Å; K378-F475 HydrophobicContact CD-CZ 4.11Å; K378-F475 HydrophobicContact CG-CD2 4.49Å; L382-F475 HydrophobicContact CD2-CB 4.21Å; E384-F475 HydrophobicContact CB-CD1 3.9Å; E384-F475 HydrophobicContact CB-CE1 4.35Å; E384-F475 WeakPolarHBondContact OE2-CE1 3.12Å; A460-F475 HydrophobicContact CB-CD2 3.54Å; A460-F475 HydrophobicContact CB-CE2 3.99Å; A460-F475 HydrophobicContact CB-CG 4.29Å; S473-F475 PolarHBondContact O-N 2.8Å; S473-F475 PolarHBondContact OG-N 2.85Å; S473-F475 VanDerWaalsContact OG-N 3.13Å
476	Y	98.3	Very high	97.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134.3	-2.2	-163.1	-56.9	-50.2	0	0	0	115.7	A372 G376 K378 A390 T391 L458 K459 A460 W463 S473 F478 G479	A372-Y476 HydrophobicContact CB-CE1 4.32Å; G376-Y476 PolarHBondContact O-OH 2.8Å; K378-Y476 PolarHBondContact N-OH 3.44Å; A390-Y476 CarbonylContact C-O 3.54Å; T391-Y476 HydrophobicContact CG2-CD1 3.92Å; T391-Y476 VanDerWaalsContact OG1-C 3.32Å; T391-Y476 WeakPolarHBondContact OG1-CA 3.41Å; T391-Y476 VanDerWaalsContact OG1-CB 3.25Å; T391-Y476 WeakPolarHBondContact OG1-CB 3.37Å; T391-Y476 PolarHBondContact OG1-O 3.34Å; L458-Y476 HydrophobicContact CB-CD2 3.96Å; L458-Y476 HydrophobicContact CB-CE2 3.74Å; L458-Y476 HydrophobicContact CD1-CD1 4.08Å; L458-Y476 HydrophobicContact CD1-CD2 4.08Å; L458-Y476 HydrophobicContact CD1-CE1 4.47Å; L458-Y476 HydrophobicContact CD1-CE2 4.45Å; L458-Y476 HydrophobicContact CD1-CG 3.87Å; K459-Y476 WeakPolarHBondContact O-CE2 3.43Å; K459-Y476 PolarHBondContact O-OH 3.28Å; A460-Y476 HydrophobicContact CB-CD2 3.96Å; A460-Y476 HydrophobicContact CB-CE2 3.67Å; W463-Y476 HydrophobicContact CH2-CD2 4.33Å; W463-Y476 AromaticContact CZ2-CD2 3.62Å; W463-Y476 HydrophobicContact CZ2-CD2 3.62Å; W463-Y476 HydrophobicContact CZ2-CE2 4.49Å; W463-Y476 HydrophobicContact CZ2-CG 4.34Å; S473-Y476 PolarHBondContact O-N 2.98Å; S473-Y476 VanDerWaalsContact O-N 3.14Å; Y476-F478 PolarHBondContact O-N 3.17Å; Y476-G479 WeakPolarHBondContact O-CA 3.23Å; Y476-G479 PolarHBondContact O-N 2.9Å
477	G	98.4	Very high	97.7	Very high	0 Å²	0	21 Å²	21	0%	0	14%	0.136	C	C	.	.	B	Isolated β-bridge	trans	59.5	-127.6	-168.8	0	0	0	0	0	111.1	T388 V472 S473 G479	T388-G477 WeakPolarHBondContact O-CA 3.46Å; V472-G477 WeakPolarHBondContact CA-O 3.46Å; S473-G477 PolarHBondContact N-O 2.71Å; S473-G477 WeakPolarHBondContact O-CA 3.45Å; S473-G477 PolarHBondContact O-N 3.13Å; G477-G479 PolarHBondContact O-N 3.49Å
478	F	98.5	Very high	97.8	Very high	4 Å²	4	21.4 Å²	21.4	2%	0.018	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	1.5	174.8	-65	-95.4	0	0	0	113.2	L389 V450 S453 H470 V472 Y476 V591 W594	L389-F478 HydrophobicContact CD1-CD2 4.25Å; L389-F478 HydrophobicContact CD1-CE2 4.14Å; L389-F478 WeakPolarHBondContact O-CD2 3.29Å; L389-F478 PolarHBondContact O-N 3.41Å; V450-F478 HydrophobicContact CB-CD1 4.44Å; V450-F478 HydrophobicContact CB-CE1 4.5Å; V450-F478 HydrophobicContact CB-CG 4.45Å; V450-F478 HydrophobicContact CG1-CD1 3.92Å; V450-F478 HydrophobicContact CG1-CE1 3.68Å; V450-F478 HydrophobicContact CG1-CE2 4.46Å; V450-F478 HydrophobicContact CG1-CG 4.41Å; V450-F478 HydrophobicContact CG1-CZ 3.98Å; V450-F478 HydrophobicContact CG2-CD2 3.83Å; V450-F478 HydrophobicContact CG2-CE1 4.42Å; V450-F478 HydrophobicContact CG2-CE2 3.73Å; V450-F478 HydrophobicContact CG2-CG 4.25Å; V450-F478 HydrophobicContact CG2-CZ 4.04Å; S453-F478 CarbonylContact C-O 3.52Å; H470-F478 HydrophobicContact CB-CD1 3.9Å; H470-F478 HydrophobicContact CB-CE1 3.57Å; H470-F478 AromaticContact CG-CE1 3.86Å; H470-F478 AromaticContact ND1-CE1 3.99Å; V472-F478 HydrophobicContact CG1-CD1 3.71Å; V472-F478 HydrophobicContact CG1-CD2 4.48Å; V472-F478 HydrophobicContact CG1-CE1 3.39Å; V472-F478 HydrophobicContact CG1-CE2 4.21Å; V472-F478 HydrophobicContact CG1-CG 4.25Å; V472-F478 HydrophobicContact CG1-CZ 3.66Å; Y476-F478 PolarHBondContact O-N 3.17Å; F478-V591 HydrophobicContact CE2-CB 4.22Å; F478-V591 HydrophobicContact CE2-CG2 3.97Å; F478-V591 WeakPolarHBondContact CZ-O 3.18Å; F478-W594 HydrophobicContact CE1-CB 4.4Å; F478-W594 HydrophobicContact CZ-CB 3.72Å
479	G	97.9	Very high	97.8	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.118	C	C	.	.			trans	106.6	-159.8	171.6	0	0	0	0	0	114.9	T391 R454 Y476 G477	T391-G479 WeakPolarHBondContact CB-O 3.23Å; T391-G479 PolarHBondContact N-O 3.19Å; R454-G479 CarbonylContact O-C 3.44Å; Y476-G479 WeakPolarHBondContact O-CA 3.23Å; Y476-G479 PolarHBondContact O-N 2.9Å; G477-G479 PolarHBondContact O-N 3.49Å
480	L	97.7	Very high	97.9	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.092	C	C	.	.	B	Isolated β-bridge	trans	-69.1	128.5	-177.4	-162.3	74.9	0	0	0	110.7	E183 M184 T391 Y393 S453 R454 A456 L458 D482	E183-L480 HydrophobicContact CB-CD2 3.79Å; M184-L480 HydrophobicContact CG-CD1 4Å; M184-L480 HydrophobicContact CG-CD2 3.96Å; M184-L480 HydrophobicContact CG-CG 3.81Å; M184-L480 HydrophobicContact SD-CD1 4.33Å; T391-L480 HydrophobicContact CG2-CD1 4.37Å; T391-L480 WeakPolarHBondContact O-CA 3.49Å; Y393-L480 HydrophobicContact CE2-CD2 4.26Å; S453-L480 CarbonylContact C-O 3.28Å; S453-L480 WeakPolarHBondContact CA-O 3.07Å; R454-L480 PolarHBondContact N-O 3.15Å; R454-L480 PolarHBondContact O-N 3.19Å; A456-L480 HydrophobicContact CB-CB 4.17Å; A456-L480 HydrophobicContact CB-CD2 4.35Å; L458-L480 HydrophobicContact CD1-CB 3.98Å; L458-L480 HydrophobicContact CG-CB 4.37Å; L480-D482 PolarHBondContact O-N 3Å
481	V	98	Very high	98	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.113	C	C	.	.			trans	-68.3	124.4	177.4	-179	0	0	0	0	110.8	M184 A390 T391 T392 V426 I429 L449	M184-V481 VanDerWaalsContact CA-O 3.31Å; M184-V481 WeakPolarHBondContact CA-O 3.48Å; A390-V481 HydrophobicContact CB-CG2 3.6Å; T391-V481 PolarHBondContact O-N 3.09Å; T392-V481 HydrophobicContact CG2-CB 4.41Å; T392-V481 HydrophobicContact CG2-CG2 4.37Å; V426-V481 HydrophobicContact CG2-CG2 4.05Å; I429-V481 HydrophobicContact CB-CG1 4.45Å; I429-V481 HydrophobicContact CD1-CB 4.32Å; I429-V481 HydrophobicContact CD1-CG1 3.94Å; I429-V481 HydrophobicContact CG2-CG1 3.79Å; L449-V481 HydrophobicContact CD2-CG1 3.83Å; L449-V481 HydrophobicContact CD2-CG2 3.84Å
482	D	97.6	Very high	97.9	Very high	6 Å²	6	24 Å²	24	3%	0.032	12%	0.116	C	C	.	.			trans	-96	111.7	168.1	178.9	-19	0	0	0	110.2	N185 R454 L480 E484 A485 L486	N185-D482 VanDerWaalsContact CB-OD1 3.23Å; N185-D482 WeakPolarHBondContact CB-OD1 3.48Å; N185-D482 VanDerWaalsContact ND2-CG 3.27Å; N185-D482 PolarHBondContact ND2-OD1 3.21Å; N185-D482 PolarHBondContact ND2-OD2 3.37Å; R454-D482 IonicContact CZ-OD2 3.72Å; R454-D482 IonicContact NE-OD2 3.84Å; R454-D482 IonicContact NH1-OD2 3.58Å; R454-D482 PolarHBondContact NH1-OD2 2.9Å; R454-D482 IonicContact NH2-OD2 3.05Å; R454-D482 PolarHBondContact NH2-OD2 2.92Å; L480-D482 PolarHBondContact O-N 3Å; D482-E484 WeakPolarHBondContact OD1-CA 3.22Å; D482-E484 WeakPolarHBondContact OD1-CB 3.48Å; D482-E484 PolarHBondContact OD1-N 3.39Å; D482-A485 HydrophobicContact CB-CB 3.85Å; D482-A485 VanDerWaalsContact CG-CB 3.47Å; D482-A485 PolarHBondContact OD1-N 2.98Å; D482-L486 WeakPolarHBondContact O-CB 3.45Å; D482-L486 PolarHBondContact O-N 3.15Å
483	A	98.3	Very high	97.8	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-68	-33.5	179.6	0	0	0	0	0	113.9	M184 V186 A189 I429 L432 V487	M184-A483 WeakPolarHBondContact O-CB 3.5Å; M184-A483 PolarHBondContact O-N 3Å; V186-A483 HydrophobicContact CB-CB 4.5Å; V186-A483 HydrophobicContact CG2-CB 3.95Å; A189-A483 HydrophobicContact CB-CB 4.29Å; I429-A483 HydrophobicContact CB-CB 4.45Å; I429-A483 HydrophobicContact CD1-CB 4.1Å; I429-A483 HydrophobicContact CG1-CB 4.02Å; I429-A483 HydrophobicContact CG2-CB 3.66Å; L432-A483 HydrophobicContact CD1-CB 4.47Å; A483-V487 WeakPolarHBondContact O-CG1 3.5Å; A483-V487 WeakPolarHBondContact O-CG2 3.43Å; A483-V487 PolarHBondContact O-N 3.44Å; A483-V487 VanDerWaalsContact O-N 3.12Å
484	E	96.5	Very high	97.6	Very high	52 Å²	52	29.1 Å²	29.1	24%	0.243	15%	0.145	C	C	.	.	H	α-helix	trans	-69.5	-46.9	176.8	-177.6	179.3	-156.9	0	0	110.5	N185 A188 R192 D482 L486 V487 V488	N185-E484 HydrophobicContact CB-CB 4.02Å; A188-E484 HydrophobicContact CB-CB 3.93Å; A188-E484 VanDerWaalsContact CB-CD 3.44Å; A188-E484 HydrophobicContact CB-CG 4Å; A188-E484 VanDerWaalsContact CB-OE2 3.32Å; A188-E484 WeakPolarHBondContact CB-OE2 3.46Å; R192-E484 IonicContact CZ-OE1 3.56Å; R192-E484 IonicContact NE-OE1 3.13Å; R192-E484 PolarHBondContact NE-OE1 3.46Å; R192-E484 IonicContact NH2-OE1 3.25Å; R192-E484 PolarHBondContact NH2-OE1 3.26Å; D482-E484 WeakPolarHBondContact OD1-CA 3.22Å; D482-E484 WeakPolarHBondContact OD1-CB 3.48Å; D482-E484 PolarHBondContact OD1-N 3.39Å; E484-L486 VanDerWaalsContact C-N 3.29Å; E484-L486 PolarHBondContact O-N 2.7Å; E484-V487 WeakPolarHBondContact O-CG2 3.15Å; E484-V487 PolarHBondContact O-N 3.18Å; E484-V488 HydrophobicContact CG-CG2 4.26Å; E484-V488 VanDerWaalsContact O-CB 3.31Å; E484-V488 WeakPolarHBondContact O-CB 3.39Å; E484-V488 WeakPolarHBondContact O-CG2 3.2Å; E484-V488 PolarHBondContact O-N 3.06Å
485	A	98.1	Very high	97.5	Very high	28 Å²	28	31.3 Å²	31.3	23%	0.231	17%	0.165	C	C	.	.	H	α-helix	trans	-61.3	-40.9	176.5	0	0	0	0	0	110.9	T452 D482 V488 E489	T452-A485 HydrophobicContact CG2-CB 4.11Å; D482-A485 HydrophobicContact CB-CB 3.85Å; D482-A485 VanDerWaalsContact CG-CB 3.47Å; D482-A485 PolarHBondContact OD1-N 2.98Å; A485-V488 PolarHBondContact O-N 3.25Å; A485-E489 VanDerWaalsContact O-CB 3.26Å; A485-E489 WeakPolarHBondContact O-CB 3.2Å; A485-E489 PolarHBondContact O-N 2.98Å
486	L	98.5	Very high	97.5	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.01	16%	0.162	C	C	.	.	H	α-helix	trans	-60	-50.8	177.3	-158.8	77.9	0	0	0	112	I429 A433 L448 L449 T452 D482 E484 V488 E489 A490	I429-L486 HydrophobicContact CG2-CD2 3.68Å; A433-L486 HydrophobicContact CB-CD2 3.73Å; A433-L486 HydrophobicContact CB-CG 3.94Å; L448-L486 HydrophobicContact CB-CD1 3.68Å; L449-L486 HydrophobicContact CD2-CD1 4.04Å; L449-L486 HydrophobicContact CD2-CD2 4.36Å; L449-L486 HydrophobicContact CG-CD1 4.27Å; T452-L486 VanDerWaalsContact OG1-CD1 3.24Å; T452-L486 WeakPolarHBondContact OG1-CD1 3.5Å; D482-L486 WeakPolarHBondContact O-CB 3.45Å; D482-L486 PolarHBondContact O-N 3.15Å; E484-L486 VanDerWaalsContact C-N 3.29Å; E484-L486 PolarHBondContact O-N 2.7Å; L486-V488 PolarHBondContact O-N 3.33Å; L486-E489 PolarHBondContact O-N 3.08Å; L486-A490 WeakPolarHBondContact O-CB 3.4Å; L486-A490 PolarHBondContact O-N 3.1Å
487	V	98.4	Very high	97.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-69.2	-33.1	-180	-58.1	0	0	0	0	113.2	A189 Y194 L432 A436 A483 E484 K491	A189-V487 HydrophobicContact CB-CG1 4.24Å; A189-V487 HydrophobicContact CB-CG2 3.95Å; Y194-V487 HydrophobicContact CD2-CB 3.81Å; Y194-V487 HydrophobicContact CD2-CG1 4.23Å; Y194-V487 HydrophobicContact CD2-CG2 3.7Å; Y194-V487 HydrophobicContact CE2-CB 4.16Å; Y194-V487 HydrophobicContact CE2-CG2 4.11Å; Y194-V487 HydrophobicContact CG-CB 4.35Å; Y194-V487 HydrophobicContact CG-CG1 4.33Å; L432-V487 HydrophobicContact CB-CG1 3.66Å; L432-V487 WeakPolarHBondContact O-CG1 3.45Å; A436-V487 HydrophobicContact CB-CB 4.05Å; A436-V487 HydrophobicContact CB-CG1 4.46Å; A483-V487 WeakPolarHBondContact O-CG1 3.5Å; A483-V487 WeakPolarHBondContact O-CG2 3.43Å; A483-V487 PolarHBondContact O-N 3.44Å; A483-V487 VanDerWaalsContact O-N 3.12Å; E484-V487 WeakPolarHBondContact O-CG2 3.15Å; E484-V487 PolarHBondContact O-N 3.18Å; V487-K491 PolarHBondContact O-N 2.81Å
488	V	98	Very high	97.2	Very high	54 Å²	54	35.8 Å²	35.8	33%	0.327	20%	0.199	S	C	.	.	H	α-helix	trans	-70.5	-36.4	177.3	168.7	0	0	0	0	111.5	R192 E484 A485 L486	R192-V488 VanDerWaalsContact CZ-CG2 3.44Å; E484-V488 HydrophobicContact CG-CG2 4.26Å; E484-V488 VanDerWaalsContact O-CB 3.31Å; E484-V488 WeakPolarHBondContact O-CB 3.39Å; E484-V488 WeakPolarHBondContact O-CG2 3.2Å; E484-V488 PolarHBondContact O-N 3.06Å; A485-V488 PolarHBondContact O-N 3.25Å; L486-V488 PolarHBondContact O-N 3.33Å
489	E	97.9	Very high	97.2	Very high	33 Å²	33	38.3 Å²	38.3	15%	0.154	21%	0.21	C	C	.	.	H	α-helix	trans	-77.2	-42.9	176.9	-162.4	66.1	-150	0	0	111.4	L448 K451 T452 A485 L486 K491 K492 W493	L448-E489 HydrophobicContact CD2-CB 3.65Å; L448-E489 HydrophobicContact CD2-CG 3.57Å; K451-E489 HydrophobicContact CD-CG 4.09Å; K451-E489 WeakPolarHBondContact CE-OE1 3.37Å; K451-E489 IonicContact NZ-OE1 3.33Å; K451-E489 PolarHBondContact NZ-OE1 3.09Å; T452-E489 HydrophobicContact CG2-CB 3.86Å; T452-E489 HydrophobicContact CG2-CG 4.21Å; A485-E489 VanDerWaalsContact O-CB 3.26Å; A485-E489 WeakPolarHBondContact O-CB 3.2Å; A485-E489 PolarHBondContact O-N 2.98Å; L486-E489 PolarHBondContact O-N 3.08Å; E489-K491 VanDerWaalsContact C-N 3.33Å; E489-K491 PolarHBondContact O-N 2.99Å; E489-K492 VanDerWaalsContact CD-NZ 3.25Å; E489-K492 VanDerWaalsContact O-CG 3.29Å; E489-K492 WeakPolarHBondContact O-CG 3.33Å; E489-K492 PolarHBondContact O-N 2.93Å; E489-K492 WeakPolarHBondContact OE1-CE 3.16Å; E489-K492 IonicContact OE1-NZ 3.59Å; E489-K492 PolarHBondContact OE1-NZ 3.44Å; E489-K492 WeakPolarHBondContact OE2-CE 3.38Å; E489-K492 IonicContact OE2-NZ 2.62Å; E489-K492 PolarHBondContact OE2-NZ 3.12Å; E489-W493 HydrophobicContact CG-CE3 3.94Å; E489-W493 HydrophobicContact CG-CZ3 3.91Å; E489-W493 PolarHBondContact O-N 2.84Å
490	A	98.3	Very high	97.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-52.9	-44.7	176.1	0	0	0	0	0	113.4	A433 A436 N437 L440 L448 L486 K492 W493	A433-A490 HydrophobicContact CB-CB 4.11Å; A436-A490 HydrophobicContact CB-CB 4.33Å; N437-A490 HydrophobicContact CB-CB 4.41Å; N437-A490 VanDerWaalsContact CB-O 3.29Å; N437-A490 WeakPolarHBondContact CB-O 3.32Å; N437-A490 PolarHBondContact ND2-O 3.01Å; L440-A490 HydrophobicContact CD1-CB 3.91Å; L448-A490 HydrophobicContact CD1-CB 4.1Å; L486-A490 WeakPolarHBondContact O-CB 3.4Å; L486-A490 PolarHBondContact O-N 3.1Å; A490-K492 PolarHBondContact O-N 2.95Å; A490-K492 VanDerWaalsContact O-N 3.15Å; A490-W493 VanDerWaalsContact O-CB 3.25Å; A490-W493 WeakPolarHBondContact O-CB 3.47Å; A490-W493 PolarHBondContact O-N 3.25Å
491	K	97.1	Very high	97.2	Very high	144 Å²	144	43.9 Å²	43.9	63%	0.626	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-26.2	-177.1	-173.5	175.2	-167.9	162.3	0	114.4	Y194 V487 E489	Y194-K491 WeakPolarHBondContact OH-CD 3.39Å; Y194-K491 PolarHBondContact OH-NZ 2.87Å; V487-K491 PolarHBondContact O-N 2.81Å; E489-K491 VanDerWaalsContact C-N 3.33Å; E489-K491 PolarHBondContact O-N 2.99Å
492	K	95.4	Very high	97.2	Very high	133 Å²	133	43.9 Å²	43.9	58%	0.578	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.4	12.4	179.7	58.4	168.8	176.3	155.7	0	112.1	E489 A490	E489-K492 VanDerWaalsContact CD-NZ 3.25Å; E489-K492 VanDerWaalsContact O-CG 3.29Å; E489-K492 WeakPolarHBondContact O-CG 3.33Å; E489-K492 PolarHBondContact O-N 2.93Å; E489-K492 WeakPolarHBondContact OE1-CE 3.16Å; E489-K492 IonicContact OE1-NZ 3.59Å; E489-K492 PolarHBondContact OE1-NZ 3.44Å; E489-K492 WeakPolarHBondContact OE2-CE 3.38Å; E489-K492 IonicContact OE2-NZ 2.62Å; E489-K492 PolarHBondContact OE2-NZ 3.12Å; A490-K492 PolarHBondContact O-N 2.95Å; A490-K492 VanDerWaalsContact O-N 3.15Å
493	W	96.6	Very high	97.1	Very high	26 Å²	26	47 Å²	47	10%	0.098	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-72	134	-177.2	-164.2	-100.3	0	0	0	111	L440 D444 H447 L448 K451 E489 A490 V496 Y637	L440-W493 HydrophobicContact CD2-CB 3.79Å; L440-W493 VanDerWaalsContact CD2-CD1 3.5Å; L440-W493 HydrophobicContact CD2-CG 3.76Å; D444-W493 VanDerWaalsContact CG-NE1 3.33Å; D444-W493 PolarHBondContact OD1-NE1 2.96Å; H447-W493 HydrophobicContact CB-CH2 3.86Å; H447-W493 HydrophobicContact CB-CZ2 3.55Å; L448-W493 HydrophobicContact CD1-CD2 4.37Å; L448-W493 HydrophobicContact CD1-CG 4.44Å; L448-W493 HydrophobicContact CD2-CD2 3.9Å; L448-W493 HydrophobicContact CD2-CE3 3.37Å; L448-W493 HydrophobicContact CD2-CH2 4.29Å; L448-W493 HydrophobicContact CD2-CZ3 3.58Å; L448-W493 HydrophobicContact CG-CD2 3.94Å; L448-W493 HydrophobicContact CG-CE3 3.86Å; L448-W493 HydrophobicContact CG-CH2 4.21Å; L448-W493 HydrophobicContact CG-CZ2 4.35Å; L448-W493 HydrophobicContact CG-CZ3 3.97Å; K451-W493 HydrophobicContact CD-CH2 4.11Å; K451-W493 HydrophobicContact CD-CZ3 3.7Å; E489-W493 HydrophobicContact CG-CE3 3.94Å; E489-W493 HydrophobicContact CG-CZ3 3.91Å; E489-W493 PolarHBondContact O-N 2.84Å; A490-W493 VanDerWaalsContact O-CB 3.25Å; A490-W493 WeakPolarHBondContact O-CB 3.47Å; A490-W493 PolarHBondContact O-N 3.25Å; W493-V496 HydrophobicContact CZ2-CG1 3.95Å; W493-Y637 AromaticContact CH2-CD1 3.88Å; W493-Y637 HydrophobicContact CH2-CD1 3.88Å; W493-Y637 AromaticContact CH2-CE1 3.5Å; W493-Y637 HydrophobicContact CH2-CE1 3.5Å; W493-Y637 HydrophobicContact CZ2-CD1 4.3Å; W493-Y637 AromaticContact CZ2-CE1 3.95Å; W493-Y637 HydrophobicContact CZ2-CE1 3.95Å; W493-Y637 HydrophobicContact CZ3-CE1 4.49Å
494	T	94.7	Very high	96.7	Very high	88 Å²	88	47.6 Å²	47.6	54%	0.54	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-101.6	131.7	164.5	-52.7	0	0	0	0	107	V496	T494-V496 PolarHBondContact O-N 3.05Å
495	A	95.6	Very high	96.4	Very high	56 Å²	56	46.3 Å²	46.3	46%	0.463	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-55.9	136.4	-177.9	0	0	0	0	0	111.3	D444	D444-A495 WeakPolarHBondContact OD1-CA 3.13Å
496	V	97.2	Very high	96.1	Very high	13 Å²	13	48.2 Å²	48.2	8%	0.079	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-66.5	154.1	-179.4	-62.2	0	0	0	0	111.5	R443 D444 H447 W493 T494 P636	R443-V496 HydrophobicContact CB-CG2 4.22Å; D444-V496 PolarHBondContact OD1-N 2.73Å; H447-V496 HydrophobicContact CB-CG1 4.42Å; W493-V496 HydrophobicContact CZ2-CG1 3.95Å; T494-V496 PolarHBondContact O-N 3.05Å; V496-P636 HydrophobicContact CB-CB 4.29Å; V496-P636 HydrophobicContact CG1-CB 4.01Å
497	P	96.6	Very high	95.8	Very high	29 Å²	29	49 Å²	49	19%	0.188	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-55.4	165.1	178.1	-24.1	32.5	0	0	0	113.6	R443 Q499 T632 E634	R443-P497 VanDerWaalsContact CZ-O 3.31Å; R443-P497 PolarHBondContact NH1-O 2.84Å; R443-P497 PolarHBondContact NH2-O 2.57Å; P497-Q499 PolarHBondContact O-N 3.25Å; P497-T632 HydrophobicContact CB-CG2 3.77Å; P497-T632 HydrophobicContact CG-CG2 4.21Å; P497-T632 WeakPolarHBondContact O-CG2 3.08Å; P497-E634 HydrophobicContact CG-CB 4.1Å
498	S	94.9	Very high	95.5	Very high	84 Å²	84	55.7 Å²	55.7	59%	0.587	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-54.2	134.8	178.1	45.6	0	0	0	0	112.2	H500	S498-H500 PolarHBondContact O-N 2.75Å; S498-H500 PolarHBondContact OG-NE2 3.11Å
499	Q	97.3	Very high	95.2	Very high	56 Å²	56	60.9 Å²	60.9	26%	0.262	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-70	126.3	177.2	-156.9	-179.9	47.6	0	0	110	P497 E540 G631	P497-Q499 PolarHBondContact O-N 3.25Å; Q499-E540 PolarHBondContact NE2-OE2 2.88Å; Q499-G631 WeakPolarHBondContact CA-O 3.46Å
500	H	97.8	Very high	95	Very high	29 Å²	29	64 Å²	64	13%	0.134	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	154	169.5	-64.5	178.9	0	0	0	109.7	S498 S532 R535 V536 Y630 G631	S498-H500 PolarHBondContact O-N 2.75Å; S498-H500 PolarHBondContact OG-NE2 3.11Å; H500-S532 PolarHBondContact CE1-O 3.1Å; H500-R535 PolarHBondContact ND1-O 3.1Å; H500-V536 HydrophobicContact CB-CG2 3.95Å; H500-Y630 WeakPolarHBondContact O-CA 3.47Å; H500-G631 PolarHBondContact N-O 2.67Å; H500-G631 PolarHBondContact O-N 2.87Å; H500-G631 VanDerWaalsContact O-N 3.17Å
501	M	97.9	Very high	94.9	Very high	89 Å²	89	67.1 Å²	67.1	44%	0.438	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	117.8	176.4	178	-167.6	74.1	0	0	109	I628 L629 Y630	M501-I628 HydrophobicContact CG-CG2 3.79Å; M501-I628 HydrophobicContact SD-CG2 4.29Å; M501-L629 WeakPolarHBondContact CA-O 3.36Å; M501-Y630 HydrophobicContact CB-CD1 4Å; M501-Y630 HydrophobicContact CB-CE1 3.85Å; M501-Y630 HydrophobicContact CG-CD1 4.03Å; M501-Y630 HydrophobicContact CG-CE1 3.52Å; M501-Y630 HydrophobicContact SD-CE1 3.81Å
502	C	97.9	Very high	94.7	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	120.6	176.4	176.7	0	0	0	0	110.8	A504 C528 Q534 V536 I628 L629	C502-A504 PolarHBondContact O-N 2.87Å; C502-A504 VanDerWaalsContact SG-CA 3.58Å; C502-C528 WeakPolarHBondContact CA-SG 3.19Å; C502-C528 HydrophobicContact CB-CB 3.75Å; C502-C528 WeakPolarHBondContact CB-SG 3.43Å; C502-C528 WeakPolarHBondContact SG-CB 3.22Å; C502-C528 PolarHBondContact SG-N 2.77Å; C502-C528 CovalentContact SG-SG 2.04Å; C502-C528 PolarHBondContact SG-SG 3.18Å; C502-Q534 WeakPolarHBondContact CB-O 3.47Å; C502-V536 HydrophobicContact CB-CG2 4.12Å; C502-I628 WeakPolarHBondContact O-CA 3.27Å; C502-L629 HydrophobicContact CB-CB 4.41Å; C502-L629 PolarHBondContact N-O 2.93Å; C502-L629 PolarHBondContact O-N 2.85Å
503	V	97.3	Very high	94.7	Very high	71 Å²	71	56.8 Å²	56.8	43%	0.43	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	74.7	166.7	-174.3	0	0	0	0	108.3	A505 L627	V503-A505 VanDerWaalsContact C-N 3.25Å; V503-A505 PolarHBondContact O-N 2.69Å; V503-L627 CarbonylContact C-O 3.55Å
504	A	89.5	Confident	94.4	Very high	13 Å²	13	57.1 Å²	57.1	11%	0.107	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	-23.6	-165.8	0	0	0	0	0	115.1	C502 T525 L627 L629	C502-A504 PolarHBondContact O-N 2.87Å; C502-A504 VanDerWaalsContact SG-CA 3.58Å; A504-T525 HydrophobicContact CB-CG2 4.03Å; A504-T525 WeakPolarHBondContact O-CB 3.37Å; A504-T525 PolarHBondContact O-OG1 2.89Å; A504-L627 HydrophobicContact CB-CD2 4.07Å; A504-L627 HydrophobicContact CB-CG 4.21Å; A504-L627 PolarHBondContact N-O 3.35Å; A504-L629 HydrophobicContact CB-CD1 3.56Å; A504-L629 HydrophobicContact CB-CG 3.75Å
505	A	90.3	Very high	93.9	Very high	24 Å²	24	55.8 Å²	55.8	20%	0.198	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	153.7	170.2	0	0	0	0	0	112	V503 A523 S626 L627	V503-A505 VanDerWaalsContact C-N 3.25Å; V503-A505 PolarHBondContact O-N 2.69Å; A505-A523 HydrophobicContact CB-CB 3.58Å; A505-S626 CarbonylContact O-C 3.55Å; A505-S626 WeakPolarHBondContact O-CA 3.34Å; A505-S626 WeakPolarHBondContact O-CB 3.23Å; A505-L627 HydrophobicContact CB-CB 4.25Å; A505-L627 PolarHBondContact N-O 3.31Å; A505-L627 PolarHBondContact O-N 2.84Å
506	S	91.6	Very high	93.1	Very high	68 Å²	68	58 Å²	58	48%	0.476	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	121.2	167.5	-165.5	0	0	0	0	109	W625 S626	S506-W625 WeakPolarHBondContact CA-O 3.5Å; S506-S626 WeakPolarHBondContact CB-OG 3.42Å; S506-S626 PolarHBondContact OG-OG 2.87Å
507	D	91.3	Very high	92.6	Very high	19 Å²	19	64 Å²	64	10%	0.102	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	116.7	177.1	-172	-0	0	0	0	110.1	R509 R511 E624 W625	D507-R509 VanDerWaalsContact OD1-CB 3.31Å; D507-R509 WeakPolarHBondContact OD1-CB 3.39Å; D507-R509 WeakPolarHBondContact OD1-CG 3.18Å; D507-R509 IonicContact OD1-CZ 3.63Å; D507-R509 PolarHBondContact OD1-N 2.9Å; D507-R509 IonicContact OD1-NE 2.77Å; D507-R509 PolarHBondContact OD1-NE 3.45Å; D507-R509 IonicContact OD1-NH2 3.74Å; D507-R509 IonicContact OD2-CZ 3.44Å; D507-R509 IonicContact OD2-NE 3.4Å; D507-R509 PolarHBondContact OD2-NE 3.03Å; D507-R509 IonicContact OD2-NH2 2.78Å; D507-R509 PolarHBondContact OD2-NH2 2.7Å; D507-R511 IonicContact OD2-CZ 3.6Å; D507-R511 IonicContact OD2-NH2 3.56Å; D507-R511 PolarHBondContact OD2-NH2 3.49Å; D507-E624 CarbonylContact O-C 3.54Å; D507-E624 WeakPolarHBondContact O-CA 3.28Å; D507-E624 WeakPolarHBondContact O-CB 3.3Å; D507-W625 PolarHBondContact N-O 2.91Å; D507-W625 PolarHBondContact O-N 3.13Å
508	K	91.7	Very high	92.5	Very high	141 Å²	141	65 Å²	65	61%	0.613	35%	0.351	S	S	*	.			trans	-104.8	11	-176.9	-55.4	-165.4	172.6	-164.1	0	113.6	P510 E624	K508-P510 VanDerWaalsContact O-CD 3.27Å; K508-P510 WeakPolarHBondContact O-CD 3.32Å; K508-E624 HydrophobicContact CB-CB 4.25Å; K508-E624 WeakPolarHBondContact CD-OE2 3.1Å; K508-E624 WeakPolarHBondContact CE-OE2 3.29Å; K508-E624 HydrophobicContact CG-CB 4.09Å; K508-E624 WeakPolarHBondContact CG-OE2 3.5Å; K508-E624 IonicContact NZ-OE2 3.97Å
509	R	92.8	Very high	92.6	Very high	162 Å²	162	62 Å²	62	61%	0.611	33%	0.328	S	S	*	.			trans	-80.1	112.9	177.1	-64.6	172	-66.1	-177.1	1.3	109.1	D507 R511	D507-R509 VanDerWaalsContact OD1-CB 3.31Å; D507-R509 WeakPolarHBondContact OD1-CB 3.39Å; D507-R509 WeakPolarHBondContact OD1-CG 3.18Å; D507-R509 IonicContact OD1-CZ 3.63Å; D507-R509 PolarHBondContact OD1-N 2.9Å; D507-R509 IonicContact OD1-NE 2.77Å; D507-R509 PolarHBondContact OD1-NE 3.45Å; D507-R509 IonicContact OD1-NH2 3.74Å; D507-R509 IonicContact OD2-CZ 3.44Å; D507-R509 IonicContact OD2-NE 3.4Å; D507-R509 PolarHBondContact OD2-NE 3.03Å; D507-R509 IonicContact OD2-NH2 2.78Å; D507-R509 PolarHBondContact OD2-NH2 2.7Å; R509-R511 WeakPolarHBondContact O-CG 3Å
510	P	93.6	Very high	92.6	Very high	99 Å²	99	66.7 Å²	66.7	64%	0.643	34%	0.343	S	S	*	.			trans	-66.9	139.4	-177.8	-20.5	34.5	0	0	0	111.4	K508 L622	K508-P510 VanDerWaalsContact O-CD 3.27Å; K508-P510 WeakPolarHBondContact O-CD 3.32Å; P510-L622 CarbonylContact C-O 3.54Å; P510-L622 VanDerWaalsContact CA-O 3.25Å; P510-L622 WeakPolarHBondContact CA-O 3.07Å
511	R	95.3	Very high	92.5	Very high	66 Å²	66	65.5 Å²	65.5	25%	0.249	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	132.2	179.4	-50.2	-172.2	-166.2	-173.4	9	110.1	D507 R509 L519 R520 T521 K621 L622	D507-R511 IonicContact OD2-CZ 3.6Å; D507-R511 IonicContact OD2-NH2 3.56Å; D507-R511 PolarHBondContact OD2-NH2 3.49Å; R509-R511 WeakPolarHBondContact O-CG 3Å; R511-L519 HydrophobicContact CB-CD1 4.15Å; R511-L519 HydrophobicContact CB-CD2 4.14Å; R511-R520 PolarHBondContact NH1-O 3.35Å; R511-T521 VanDerWaalsContact CZ-OG1 3.27Å; R511-T521 VanDerWaalsContact NH1-CB 3.32Å; R511-T521 PolarHBondContact NH1-OG1 3Å; R511-T521 PolarHBondContact NH2-OG1 2.8Å; R511-K621 CarbonylContact O-C 3.59Å; R511-K621 WeakPolarHBondContact O-CA 3.41Å; R511-L622 PolarHBondContact N-O 2.85Å; R511-L622 PolarHBondContact O-N 2.98Å
512	S	94.5	Very high	92.4	Very high	60 Å²	60	64.8 Å²	64.8	42%	0.42	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	137.2	167.3	-62.6	0	0	0	0	109.8	G620	S512-G620 WeakPolarHBondContact CA-O 2.99Å
513	I	94.4	Very high	92.2	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	117	170.4	-55.8	165.4	0	0	0	105.9	L519 I548 L556 I606 D608 G620	I513-L519 HydrophobicContact CG1-CD2 3.81Å; I513-L519 HydrophobicContact CG2-CB 4.48Å; I513-I548 HydrophobicContact CD1-CG2 3.76Å; I513-L556 HydrophobicContact CD1-CD2 4.12Å; I513-I606 HydrophobicContact CD1-CG2 3.92Å; I513-I606 HydrophobicContact CG1-CG2 4.3Å; I513-I606 HydrophobicContact CG2-CG2 4.07Å; I513-D608 HydrophobicContact CG2-CB 3.71Å; I513-G620 PolarHBondContact N-O 2.93Å
514	P	90.1	Very high	92.2	Very high	33 Å²	33	68.6 Å²	68.6	21%	0.214	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-74.8	146	-178.4	32.2	-33.7	0	0	0	110.5	V516 Q517	P514-V516 PolarHBondContact O-N 2.82Å; P514-Q517 HydrophobicContact CB-CB 4.04Å; P514-Q517 HydrophobicContact CG-CB 3.76Å
515	L	84.5	Confident	92.6	Very high	60 Å²	60	68.8 Å²	68.8	31%	0.314	36%	0.357	S	S	.	.	B	Isolated β-bridge	trans	-64.3	132	173.3	-64.6	169.1	0	0	0	110	Q517 D608	L515-Q517 PolarHBondContact O-N 2.71Å; L515-D608 WeakPolarHBondContact CD2-OD2 3.23Å
516	V	78.6	Confident	92.8	Very high	101 Å²	101	70 Å²	70	61%	0.612	36%	0.364	S	S	*	.	S	Bend	trans	65.3	-26.9	175.2	-172.2	0	0	0	0	115.4	P514 D608 P610	P514-V516 PolarHBondContact O-N 2.82Å; V516-D608 PolarHBondContact N-O 2.03Å; V516-P610 HydrophobicContact CG2-CG 4Å
517	Q	87.8	Confident	93.1	Very high	140 Å²	140	66.9 Å²	66.9	65%	0.654	34%	0.342	S	S	*	.	S	Bend	trans	-83.4	163.1	175.2	-58.6	-179.6	13	0	0	111.9	P514 L515	P514-Q517 HydrophobicContact CB-CB 4.04Å; P514-Q517 HydrophobicContact CG-CB 3.76Å; L515-Q517 PolarHBondContact O-N 2.71Å
518	V	94.4	Very high	93.4	Very high	50 Å²	50	66.9 Å²	66.9	30%	0.303	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	115.2	178.8	-170.5	0	0	0	0	110.1	R520 E605 Q607	V518-R520 HydrophobicContact CB-CG 4.49Å; V518-R520 HydrophobicContact CG1-CG 3.89Å; V518-R520 PolarHBondContact O-N 3.26Å; V518-E605 HydrophobicContact CG1-CB 3.71Å; V518-E605 HydrophobicContact CG1-CG 4.14Å; V518-Q607 HydrophobicContact CB-CG 4.4Å; V518-Q607 HydrophobicContact CG1-CG 4.09Å; V518-Q607 HydrophobicContact CG2-CG 4.01Å
519	L	96.4	Very high	93.6	Very high	20 Å²	20	61.6 Å²	61.6	11%	0.105	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	113.7	162.7	175.6	62.2	0	0	0	108.3	R511 I513 E605 I606 L622	R511-L519 HydrophobicContact CB-CD1 4.15Å; R511-L519 HydrophobicContact CB-CD2 4.14Å; I513-L519 HydrophobicContact CG1-CD2 3.81Å; I513-L519 HydrophobicContact CG2-CB 4.48Å; L519-E605 WeakPolarHBondContact O-CA 3.12Å; L519-I606 HydrophobicContact CB-CB 4.36Å; L519-I606 PolarHBondContact N-O 3.36Å; L519-I606 PolarHBondContact O-N 3Å; L519-L622 HydrophobicContact CD2-CB 4.08Å; L519-L622 HydrophobicContact CD2-CD2 4.32Å
520	R	96.7	Very high	93.6	Very high	156 Å²	156	61.6 Å²	61.6	59%	0.589	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.7	135.7	172.9	-68.5	-175.9	164.2	146	-1.4	110.8	R511 V518 E605	R511-R520 PolarHBondContact NH1-O 3.35Å; V518-R520 HydrophobicContact CB-CG 4.49Å; V518-R520 HydrophobicContact CG1-CG 3.89Å; V518-R520 PolarHBondContact O-N 3.26Å; R520-E605 HydrophobicContact CG-CG 4.31Å; R520-E605 IonicContact CZ-OE1 3.92Å; R520-E605 IonicContact NE-OE1 3.85Å; R520-E605 PolarHBondContact NE-OE1 3.37Å; R520-E605 IonicContact NH2-OE1 2.68Å; R520-E605 PolarHBondContact NH2-OE1 3.39Å
521	T	95.6	Very high	93.7	Very high	4 Å²	4	61.8 Å²	61.8	3%	0.025	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	136.4	165.1	-176.9	0	0	0	0	110.1	R511 L604 L622 W625	R511-T521 VanDerWaalsContact CZ-OG1 3.27Å; R511-T521 VanDerWaalsContact NH1-CB 3.32Å; R511-T521 PolarHBondContact NH1-OG1 3Å; R511-T521 PolarHBondContact NH2-OG1 2.8Å; T521-L604 HydrophobicContact CG2-CB 3.76Å; T521-L604 HydrophobicContact CG2-CD2 3.93Å; T521-L604 HydrophobicContact CG2-CG 4.07Å; T521-L604 PolarHBondContact N-O 3.36Å; T521-L604 PolarHBondContact O-N 2.77Å; T521-L622 HydrophobicContact CG2-CD2 4.43Å; T521-W625 HydrophobicContact CG2-CD2 4.33Å; T521-W625 HydrophobicContact CG2-CZ2 3.77Å; T521-W625 PolarHBondContact OG1-NE1 2.7Å
522	T	95.5	Very high	93.5	Very high	73 Å²	73	63.5 Å²	63.5	45%	0.448	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	152.5	-179	51.4	0	0	0	0	111.1	Q601 W602 T603	T522-Q601 HydrophobicContact CG2-CG 4.27Å; T522-W602 CarbonylContact C-O 3.58Å; T522-W602 VanDerWaalsContact CA-O 3.23Å; T522-W602 WeakPolarHBondContact CA-O 3.45Å; T522-T603 HydrophobicContact CG2-CG2 4.1Å
523	A	95.4	Very high	93.4	Very high	9 Å²	9	65.2 Å²	65.2	7%	0.074	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	116.4	168.5	0	0	0	0	0	108.3	A505 Q601 W602 W625	A505-A523 HydrophobicContact CB-CB 3.58Å; A523-Q601 WeakPolarHBondContact O-CA 3.37Å; A523-W602 PolarHBondContact N-O 2.04Å; A523-W602 PolarHBondContact O-N 2.03Å; A523-W625 HydrophobicContact CB-CH2 3.68Å; A523-W625 HydrophobicContact CB-CZ2 4.02Å
524	L	96.7	Very high	93.5	Very high	143 Å²	143	68.8 Å²	68.8	75%	0.749	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.5	126.9	167.5	179.6	63.4	0	0	0	107.6	Q601	L524-Q601 HydrophobicContact CD1-CB 4.41Å
525	T	96.5	Very high	93.8	Very high	16 Å²	16	72.3 Å²	72.3	10%	0.098	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	143.3	-176	-166.9	0	0	0	0	112.3	A504 A527 G600 L629	A504-T525 HydrophobicContact CB-CG2 4.03Å; A504-T525 WeakPolarHBondContact O-CB 3.37Å; A504-T525 PolarHBondContact O-OG1 2.89Å; T525-A527 PolarHBondContact OG1-N 3.06Å; T525-G600 PolarHBondContact N-O 2.83Å; T525-G600 PolarHBondContact O-N 3Å; T525-L629 HydrophobicContact CG2-CD1 4.42Å
526	S	96.4	Very high	94.5	Very high	51 Å²	51	69.5 Å²	69.5	36%	0.357	36%	0.363	S	S	.	.			trans	-86.4	9.7	167.4	59.7	0	0	0	0	112.6	C528 A529	S526-C528 VanDerWaalsContact C-N 3.25Å; S526-C528 PolarHBondContact O-N 3.33Å; S526-A529 WeakPolarHBondContact O-CB 3.09Å; S526-A529 PolarHBondContact O-N 2.98Å; S526-A529 VanDerWaalsContact O-N 3.1Å
527	A	96.9	Very high	95.4	Very high	1 Å²	1	66.2 Å²	66.2	1%	0.008	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	44.5	-178	0	0	0	0	0	113.3	T525 A529 R535 V536 A598 L629	T525-A527 PolarHBondContact OG1-N 3.06Å; A527-A529 PolarHBondContact O-N 3.3Å; A527-R535 WeakPolarHBondContact O-CA 3.46Å; A527-V536 WeakPolarHBondContact CB-O 3.47Å; A527-V536 PolarHBondContact O-N 2.99Å; A527-A598 HydrophobicContact CB-CB 3.48Å; A527-A598 VanDerWaalsContact CB-CB 3.48Å; A527-L629 HydrophobicContact CB-CD1 4.12Å
528	C	97.3	Very high	95.9	Very high	19 Å²	19	62.1 Å²	62.1	13%	0.128	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	63	33.8	-179.8	-57.8	0	0	0	0	114.2	C502 S526 E530 H531 Q534 R535	C502-C528 WeakPolarHBondContact CA-SG 3.19Å; C502-C528 HydrophobicContact CB-CB 3.75Å; C502-C528 WeakPolarHBondContact CB-SG 3.43Å; C502-C528 WeakPolarHBondContact SG-CB 3.22Å; C502-C528 PolarHBondContact SG-N 2.77Å; C502-C528 CovalentContact SG-SG 2.04Å; C502-C528 PolarHBondContact SG-SG 3.18Å; S526-C528 VanDerWaalsContact C-N 3.25Å; S526-C528 PolarHBondContact O-N 3.33Å; C528-E530 PolarHBondContact O-N 2.67Å; C528-H531 PolarHBondContact O-N 2.96Å; C528-Q534 HydrophobicContact CB-CB 4.14Å; C528-R535 WeakPolarHBondContact O-CB 3.13Å
529	A	95.3	Very high	96.1	Very high	31 Å²	31	59.9 Å²	59.9	26%	0.256	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	-32.3	178.9	0	0	0	0	0	115.3	S526 A527 H531	S526-A529 WeakPolarHBondContact O-CB 3.09Å; S526-A529 PolarHBondContact O-N 2.98Å; S526-A529 VanDerWaalsContact O-N 3.1Å; A527-A529 PolarHBondContact O-N 3.3Å; A529-H531 VanDerWaalsContact C-N 3.31Å; A529-H531 PolarHBondContact O-N 3.19Å
530	E	94.4	Very high	96.2	Very high	161 Å²	161	58.9 Å²	58.9	75%	0.752	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-14.8	179.2	-49	-56.7	153.4	0	0	114.2	C528	C528-E530 PolarHBondContact O-N 2.67Å
531	H	94.4	Very high	96.3	Very high	103 Å²	103	51.6 Å²	51.6	48%	0.477	28%	0.276	S	S	.	.			trans	-121.5	96.3	-174.1	-62.8	-47.7	0	0	0	109.6	C528 A529 D533 Q534 R535	C528-H531 PolarHBondContact O-N 2.96Å; A529-H531 VanDerWaalsContact C-N 3.31Å; A529-H531 PolarHBondContact O-N 3.19Å; H531-D533 PolarHBondContact O-N 3.08Å; H531-D533 VanDerWaalsContact O-N 3.13Å; H531-Q534 HydrophobicContact CB-CB 4.05Å; H531-Q534 CarbonylContact O-C 3.56Å; H531-Q534 PolarHBondContact O-N 3.5Å; H531-R535 WeakPolarHBondContact O-CB 3.48Å; H531-R535 PolarHBondContact O-N 2.73Å
532	S	91.4	Very high	96.5	Very high	103 Å²	103	51.4 Å²	51.4	72%	0.72	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-26	-171.6	49.4	0	0	0	0	114.7	H500	H500-S532 PolarHBondContact CE1-O 3.1Å
533	D	92.6	Very high	96.6	Very high	95 Å²	95	48.2 Å²	48.2	51%	0.508	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-20	176	63	-52.1	0	0	0	114.2	H531	H531-D533 PolarHBondContact O-N 3.08Å; H531-D533 VanDerWaalsContact O-N 3.13Å
534	Q	96.1	Very high	96.8	Very high	75 Å²	75	47.8 Å²	47.8	35%	0.35	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.1	-13	-177	-72.4	159.9	63.9	0	0	112.9	C502 C528 H531 V536	C502-Q534 WeakPolarHBondContact CB-O 3.47Å; C528-Q534 HydrophobicContact CB-CB 4.14Å; H531-Q534 HydrophobicContact CB-CB 4.05Å; H531-Q534 CarbonylContact O-C 3.56Å; H531-Q534 PolarHBondContact O-N 3.5Å; Q534-V536 PolarHBondContact O-N 2.85Å
535	R	97.6	Very high	96.8	Very high	107 Å²	107	44.4 Å²	44.4	40%	0.404	23%	0.229	S	C	.	.			trans	-58.3	119.5	-178.6	-178.8	177.5	-178.4	165.9	1	111.2	H500 A527 C528 H531 V537	H500-R535 PolarHBondContact ND1-O 3.1Å; A527-R535 WeakPolarHBondContact O-CA 3.46Å; C528-R535 WeakPolarHBondContact O-CB 3.13Å; H531-R535 WeakPolarHBondContact O-CB 3.48Å; H531-R535 PolarHBondContact O-N 2.73Å; R535-V537 HydrophobicContact CG-CG2 4.16Å
536	V	98.3	Very high	96.9	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.012	23%	0.225	C	C	.	.			trans	-107.3	125.3	170.1	179.3	0	0	0	0	107.9	H500 C502 A527 Q534 L539 A598	H500-V536 HydrophobicContact CB-CG2 3.95Å; C502-V536 HydrophobicContact CB-CG2 4.12Å; A527-V536 WeakPolarHBondContact CB-O 3.47Å; A527-V536 PolarHBondContact O-N 2.99Å; Q534-V536 PolarHBondContact O-N 2.85Å; V536-L539 HydrophobicContact CG1-CD2 4.02Å; V536-A598 HydrophobicContact CB-CB 4.38Å; V536-A598 HydrophobicContact CG1-CB 4.01Å; V536-A598 WeakPolarHBondContact O-CB 3.32Å
537	V	97.8	Very high	97	Very high	31 Å²	31	41.5 Å²	41.5	19%	0.188	21%	0.209	C	C	.	.	S	Bend	trans	-105.9	-46.3	173.4	178.5	0	0	0	0	109.9	R535 K597 A598 T632 A633	R535-V537 HydrophobicContact CG-CG2 4.16Å; V537-K597 VanDerWaalsContact O-CA 3.31Å; V537-K597 WeakPolarHBondContact O-CA 3.37Å; V537-A598 PolarHBondContact O-N 2.86Å; V537-T632 PolarHBondContact N-O 3.27Å; V537-A633 WeakPolarHBondContact CB-O 3.39Å; V537-A633 WeakPolarHBondContact CG2-O 3.38Å
538	Y	98.1	Very high	97	Very high	55 Å²	55	41.5 Å²	41.5	22%	0.216	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	126.9	179.6	-59.7	-82	0	0	0	110.1	E596 G631 T632 E634 H635	Y538-E596 WeakPolarHBondContact CA-O 3.39Å; Y538-G631 CarbonylContact O-C 3.44Å; Y538-G631 VanDerWaalsContact O-CA 3.26Å; Y538-G631 WeakPolarHBondContact O-CA 3.43Å; Y538-T632 PolarHBondContact N-O 2.98Å; Y538-T632 PolarHBondContact O-N 3.31Å; Y538-E634 WeakPolarHBondContact CD2-O 3.38Å; Y538-H635 AromaticContact CD1-CD2 3.98Å; Y538-H635 HydrophobicContact CD2-CB 4.3Å; Y538-H635 AromaticContact CE1-CD2 3.54Å; Y538-H635 HydrophobicContact CE2-CB 3.79Å; Y538-H635 AromaticContact CZ-CD2 3.69Å
539	L	98.7	Very high	97	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.01	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	146.6	-173.5	-66	173.1	0	0	0	113.6	V536 V542 C593 G595 E596 A598 W602 L629	V536-L539 HydrophobicContact CG1-CD2 4.02Å; L539-V542 HydrophobicContact CD1-CG2 3.9Å; L539-V542 HydrophobicContact CD2-CG2 4.03Å; L539-V542 HydrophobicContact CG-CG2 4.42Å; L539-C593 HydrophobicContact CD1-CB 3.88Å; L539-G595 PolarHBondContact O-N 2.91Å; L539-E596 HydrophobicContact CD1-CB 4.11Å; L539-E596 PolarHBondContact N-O 3.19Å; L539-A598 HydrophobicContact CD2-CB 3.58Å; L539-A598 HydrophobicContact CG-CB 3.98Å; L539-W602 HydrophobicContact CD1-CH2 3.64Å; L539-W602 HydrophobicContact CD1-CZ2 3.62Å; L539-L629 HydrophobicContact CD2-CB 3.97Å; L539-L629 HydrophobicContact CD2-CD1 4.43Å; L539-L629 HydrophobicContact CD2-CD2 4.14Å; L539-L629 HydrophobicContact CD2-CG 4.4Å
540	E	98.8	Very high	96.9	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	-85.7	161.6	-71	157.8	-143.4	0	0	107.8	R443 H447 Q499 W594 Y630 G631	R443-E540 IonicContact CZ-OE1 3.47Å; R443-E540 IonicContact CZ-OE2 3.48Å; R443-E540 IonicContact NE-OE1 2.77Å; R443-E540 PolarHBondContact NE-OE1 2.79Å; R443-E540 IonicContact NE-OE2 3.46Å; R443-E540 PolarHBondContact NE-OE2 2.86Å; R443-E540 IonicContact NH2-OE1 2.67Å; R443-E540 PolarHBondContact NH2-OE1 2.86Å; R443-E540 IonicContact NH2-OE2 2.69Å; H447-E540 IonicContact NE2-OE1 3.75Å; Q499-E540 PolarHBondContact NE2-OE2 2.88Å; E540-W594 HydrophobicContact CB-CD2 4.34Å; E540-W594 HydrophobicContact CB-CE3 4.32Å; E540-W594 HydrophobicContact CB-CH2 3.9Å; E540-W594 HydrophobicContact CB-CZ2 3.92Å; E540-W594 HydrophobicContact CB-CZ3 4.11Å; E540-W594 HydrophobicContact CG-CH2 4.19Å; E540-W594 HydrophobicContact CG-CZ2 3.74Å; E540-Y630 PolarHBondContact N-O 3.45Å; E540-G631 WeakPolarHBondContact OE1-CA 3.48Å
541	H	98.8	Very high	96.8	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.009	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	144.4	176.5	-37.4	84.3	0	0	0	111.6	I364 Q446 M589 W594 Y630	I364-H541 HydrophobicContact CB-CB 4.23Å; I364-H541 HydrophobicContact CG2-CB 3.52Å; I364-H541 PolarHBondContact O-NE2 2.82Å; Q446-H541 PolarHBondContact OE1-CE1 2.83Å; Q446-H541 PolarHBondContact OE1-NE2 2.68Å; H541-M589 HydrophobicContact CB-SD 4.32Å; H541-W594 AromaticContact CD2-CZ3 3.87Å; H541-W594 AromaticContact CE1-CH2 3.95Å; H541-W594 AromaticContact NE2-CH2 3.82Å; H541-W594 AromaticContact NE2-CZ3 3.61Å; H541-Y630 HydrophobicContact CB-CD2 4.21Å; H541-Y630 PolarHBondContact O-N 2.88Å
542	V	98.8	Very high	96.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	125.5	169.2	176.7	0	0	0	0	109	L539 L560 M589 T590 C593 W602 L627 L629	L539-V542 HydrophobicContact CD1-CG2 3.9Å; L539-V542 HydrophobicContact CD2-CG2 4.03Å; L539-V542 HydrophobicContact CG-CG2 4.42Å; V542-L560 HydrophobicContact CG1-CD2 3.5Å; V542-M589 CarbonylContact O-C 3.53Å; V542-M589 WeakPolarHBondContact O-CA 3.24Å; V542-T590 HydrophobicContact CB-CG2 3.87Å; V542-T590 HydrophobicContact CG1-CG2 4.33Å; V542-T590 PolarHBondContact N-O 3.49Å; V542-T590 PolarHBondContact O-N 2.69Å; V542-C593 HydrophobicContact CG2-CB 4.18Å; V542-W602 HydrophobicContact CG1-CH2 4.18Å; V542-W602 HydrophobicContact CG1-CZ3 4Å; V542-W602 HydrophobicContact CG2-CH2 3.82Å; V542-W602 HydrophobicContact CG2-CZ3 4.39Å; V542-L627 HydrophobicContact CG1-CD1 3.84Å; V542-L629 HydrophobicContact CB-CD2 4.41Å; V542-L629 HydrophobicContact CG1-CD2 3.83Å; V542-L629 HydrophobicContact CG2-CD2 3.97Å
543	V	98.8	Very high	96.9	Very high	7 Å²	7	27.1 Å²	27.1	4%	0.042	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	131	-179.1	172.6	0	0	0	0	110.3	I364 E587 F588 M589 I628 Y630	I364-V543 HydrophobicContact CG2-CG2 4.03Å; V543-E587 HydrophobicContact CG1-CB 3.69Å; V543-E587 HydrophobicContact CG1-CG 3.98Å; V543-F588 CarbonylContact C-O 3.47Å; V543-F588 WeakPolarHBondContact CA-O 3.09Å; V543-M589 HydrophobicContact CG2-CB 4.21Å; V543-M589 HydrophobicContact CG2-CG 3.79Å; V543-I628 HydrophobicContact CB-CB 4.24Å; V543-I628 HydrophobicContact CG1-CD1 4.49Å; V543-I628 PolarHBondContact N-O 2.96Å; V543-I628 PolarHBondContact O-N 2.82Å; V543-Y630 HydrophobicContact CB-CE2 4.32Å; V543-Y630 HydrophobicContact CG2-CD2 4.37Å; V543-Y630 HydrophobicContact CG2-CE2 3.94Å
544	V	98.5	Very high	97.1	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	99.5	175.2	-176.6	0	0	0	0	108.3	T546 L560 L570 F588 L604 W625 S626 L627	V544-T546 HydrophobicContact CG1-CG2 3.82Å; V544-L560 HydrophobicContact CG2-CD1 3.96Å; V544-L560 HydrophobicContact CG2-CD2 3.62Å; V544-L560 HydrophobicContact CG2-CG 4.25Å; V544-L570 HydrophobicContact CB-CD1 3.89Å; V544-L570 HydrophobicContact CG1-CD1 4.45Å; V544-L570 HydrophobicContact CG2-CD1 3.75Å; V544-F588 PolarHBondContact N-O 3.3Å; V544-F588 PolarHBondContact O-N 3.22Å; V544-L604 HydrophobicContact CG1-CD1 4.22Å; V544-L604 HydrophobicContact CG1-CD2 4.17Å; V544-W625 HydrophobicContact CG1-CE3 4.05Å; V544-S626 WeakPolarHBondContact CA-O 3.45Å; V544-L627 HydrophobicContact CG2-CD1 4.18Å
545	R	98.4	Very high	97	Very high	72 Å²	72	19.1 Å²	19.1	27%	0.272	9%	0.089	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	129.5	173.2	-171.7	167.6	51.4	-126.3	-0.2	109.6	N585 W586 E587 W625 S626	R545-N585 HydrophobicContact CG-CB 4.38Å; R545-W586 CarbonylContact C-O 3.48Å; R545-W586 WeakPolarHBondContact CA-O 3.44Å; R545-E587 HydrophobicContact CB-CG 3.77Å; R545-E587 WeakPolarHBondContact CD-OE1 3.04Å; R545-E587 HydrophobicContact CG-CG 3.71Å; R545-E587 IonicContact CZ-OE1 2.75Å; R545-E587 IonicContact NE-OE1 2.66Å; R545-E587 IonicContact NH1-OE1 3.5Å; R545-E587 PolarHBondContact NH1-OE1 2.82Å; R545-W625 CarbonylContact O-C 3.57Å; R545-W625 WeakPolarHBondContact O-CA 3.01Å; R545-W625 WeakPolarHBondContact O-CB 3.39Å; R545-S626 PolarHBondContact N-O 3.38Å; R545-S626 PolarHBondContact O-N 2.03Å
546	T	97.6	Very high	96.9	Very high	1 Å²	1	14 Å²	14	1%	0.006	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	148.2	-179.7	70.5	0	0	0	0	112.9	V544 N585 W586 F588 W625	V544-T546 HydrophobicContact CG1-CG2 3.82Å; T546-N585 CarbonylContact O-C 3.58Å; T546-N585 VanDerWaalsContact O-CA 3.31Å; T546-N585 WeakPolarHBondContact O-CA 3.36Å; T546-N585 PolarHBondContact O-N 3.24Å; T546-W586 PolarHBondContact N-O 2.69Å; T546-W586 PolarHBondContact O-N 3.25Å; T546-F588 HydrophobicContact CG2-CD2 4.26Å; T546-F588 HydrophobicContact CG2-CE2 4.43Å; T546-F588 WeakPolarHBondContact OG1-CE2 3.47Å; T546-W625 HydrophobicContact CG2-CB 4.26Å
547	S	98.3	Very high	96.8	Very high	5 Å²	5	15.4 Å²	15.4	4%	0.035	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	110	164.6	-78.1	0	0	0	0	108.5	F583 N585 K623 E624	S547-F583 CarbonylContact C-O 3.57Å; S547-F583 WeakPolarHBondContact CA-O 3.37Å; S547-N585 PolarHBondContact OG-N 2.82Å; S547-N585 PolarHBondContact OG-OD1 3.13Å; S547-N585 VanDerWaalsContact OG-OD1 3.1Å; S547-K623 WeakPolarHBondContact O-CB 3.41Å; S547-K623 PolarHBondContact O-N 2.77Å; S547-E624 PolarHBondContact N-O 3.18Å; S547-E624 PolarHBondContact O-N 3.34Å
548	I	97.8	Very high	96.9	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	123.3	-174	-60.5	165.7	0	0	0	108.7	I513 L556 I558 G582 F583 I606 K621 L622	I513-I548 HydrophobicContact CD1-CG2 3.76Å; I548-L556 HydrophobicContact CG2-CD1 4.02Å; I548-I558 HydrophobicContact CD1-CD1 3.81Å; I548-G582 CarbonylContact O-C 3.52Å; I548-G582 WeakPolarHBondContact O-CA 3.18Å; I548-F583 HydrophobicContact CB-CB 4.45Å; I548-F583 HydrophobicContact CB-CD2 4.49Å; I548-F583 HydrophobicContact CD1-CD2 4.35Å; I548-F583 PolarHBondContact N-O 2.91Å; I548-F583 PolarHBondContact O-N 3.32Å; I548-F583 VanDerWaalsContact O-O 3.09Å; I548-I606 HydrophobicContact CD1-CD1 3.95Å; I548-K621 WeakPolarHBondContact CA-O 3.28Å; I548-L622 HydrophobicContact CD1-CD1 4.31Å; I548-L622 HydrophobicContact CG1-CD1 3.62Å
549	S	96.3	Very high	96.9	Very high	39 Å²	39	12.8 Å²	12.8	27%	0.273	6%	0.063	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	129.9	165.2	45.4	0	0	0	0	110	K621 K623	S549-K621 PolarHBondContact N-O 2.57Å; S549-K621 PolarHBondContact O-N 3.27Å; S549-K623 WeakPolarHBondContact OG-CE 3.24Å
550	H	94.3	Very high	96.9	Very high	7 Å²	7	12.7 Å²	12.7	3%	0.032	6%	0.063	C	C	.	.			trans	-137.3	143.3	-177.5	-144.8	-108.2	0	0	0	111.1	R552 L556 N580 D608 G620	H550-R552 PolarHBondContact ND1-O 3.38Å; H550-R552 PolarHBondContact O-N 2.9Å; H550-L556 HydrophobicContact CB-CD1 4.12Å; H550-L556 WeakPolarHBondContact NE2-CD2 3.32Å; H550-N580 CarbonylContact O-C 3.55Å; H550-N580 WeakPolarHBondContact O-CA 3.21Å; H550-N580 VanDerWaalsContact O-O 3.09Å; H550-D608 VanDerWaalsContact CE1-CG 3.41Å; H550-D608 IonicContact CE1-OD1 2.69Å; H550-D608 PolarHBondContact CE1-OD1 3.41Å; H550-D608 IonicContact CE1-OD2 3.37Å; H550-D608 IonicContact NE2-OD1 3.58Å; H550-D608 IonicContact NE2-OD2 2.7Å; H550-D608 PolarHBondContact NE2-OD2 2.87Å; H550-G620 WeakPolarHBondContact CD2-CA 3.3Å
551	P	92.1	Very high	96.9	Very high	33 Å²	33	14.1 Å²	14.1	21%	0.214	7%	0.071	C	C	.	.	S	Bend	trans	-64.1	-23.3	174.3	31.1	-42.1	0	0	0	113.4	K618	P551-K618 HydrophobicContact CB-CB 4.2Å; P551-K618 WeakPolarHBondContact CG-O 3.45Å
552	R	92.8	Very high	96.9	Very high	20 Å²	20	14.2 Å²	14.2	8%	0.075	7%	0.072	C	C	.	.			trans	-158.3	105.1	178.7	177	170.1	174.7	-170	-8	110	H550 G554 D555 L575 D577 L578 S579 S611 V613	H550-R552 PolarHBondContact ND1-O 3.38Å; H550-R552 PolarHBondContact O-N 2.9Å; R552-G554 VanDerWaalsContact C-N 3.29Å; R552-G554 PolarHBondContact O-N 2.96Å; R552-D555 PolarHBondContact O-N 2.87Å; R552-L575 PolarHBondContact NH2-O 3.36Å; R552-D577 VanDerWaalsContact CG-O 3.32Å; R552-D577 WeakPolarHBondContact CG-O 3.32Å; R552-D577 PolarHBondContact NE-O 2.79Å; R552-L578 VanDerWaalsContact NE-CD2 3.29Å; R552-S579 CarbonylContact C-O 3.52Å; R552-S579 VanDerWaalsContact CA-O 3.25Å; R552-S579 WeakPolarHBondContact CA-O 3.46Å; R552-S611 VanDerWaalsContact CZ-OG 3.23Å; R552-S611 PolarHBondContact NH1-OG 2.95Å; R552-S611 PolarHBondContact NH2-OG 3.14Å; R552-V613 PolarHBondContact NH1-O 3.13Å
553	R	95.2	Very high	96.8	Very high	16 Å²	16	16.4 Å²	16.4	6%	0.06	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-57.1	-38	-172.6	-177.8	169	64.5	-154.1	2	112.8	K313 V315 D555 L556 D577 S579 E581 G582 F583	K313-R553 PolarHBondContact O-NH2 2.63Å; V315-R553 VanDerWaalsContact CG2-CZ 3.48Å; R553-D555 VanDerWaalsContact C-N 3.31Å; R553-D555 PolarHBondContact O-N 3Å; R553-L556 WeakPolarHBondContact O-CB 3.48Å; R553-L556 PolarHBondContact O-N 3.28Å; R553-D577 WeakPolarHBondContact CB-OD2 3.28Å; R553-D577 VanDerWaalsContact CG-OD2 3.28Å; R553-D577 WeakPolarHBondContact CG-OD2 3.19Å; R553-D577 IonicContact CZ-OD1 2.97Å; R553-D577 IonicContact CZ-OD2 3.29Å; R553-D577 IonicContact NE-OD1 3.56Å; R553-D577 PolarHBondContact NE-OD1 2.96Å; R553-D577 IonicContact NE-OD2 3.11Å; R553-D577 PolarHBondContact NE-OD2 3.43Å; R553-D577 IonicContact NH2-OD1 2.96Å; R553-D577 IonicContact NH2-OD2 2.67Å; R553-S579 WeakPolarHBondContact CB-O 3.49Å; R553-S579 PolarHBondContact N-O 2.72Å; R553-E581 IonicContact CZ-OE2 2.63Å; R553-E581 IonicContact NH1-OE2 2.73Å; R553-E581 PolarHBondContact NH1-OE2 3.35Å; R553-E581 VanDerWaalsContact NH1-OE2 3.13Å; R553-E581 IonicContact NH2-OE2 3.89Å; R553-G582 WeakPolarHBondContact CD-O 3.41Å; R553-G582 PolarHBondContact NH1-O 2.9Å; R553-G582 VanDerWaalsContact NH1-O 3.16Å; R553-F583 HydrophobicContact CG-CD2 4.24Å; R553-F583 HydrophobicContact CG-CE1 4.4Å; R553-F583 HydrophobicContact CG-CE2 3.55Å; R553-F583 HydrophobicContact CG-CZ 3.64Å
554	G	95.3	Very high	96.8	Very high	2 Å²	2	18.9 Å²	18.9	2%	0.021	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-65.5	-16.9	-179.8	0	0	0	0	0	118.1	R552 L556 K573 R574 D577	R552-G554 VanDerWaalsContact C-N 3.29Å; R552-G554 PolarHBondContact O-N 2.96Å; G554-L556 PolarHBondContact O-N 2.95Å; G554-K573 WeakPolarHBondContact O-CG 3.45Å; G554-R574 CarbonylContact C-O 3.52Å; G554-R574 WeakPolarHBondContact CA-O 3.3Å; G554-R574 PolarHBondContact O-N 2.94Å; G554-D577 WeakPolarHBondContact CA-O 3.35Å; G554-D577 PolarHBondContact N-O 2.03Å
555	D	94.2	Very high	96.8	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-78.4	-8.4	174.9	-88.7	-10.7	0	0	0	112.6	R552 R553 K573 L609 P610 S611 R614	R552-D555 PolarHBondContact O-N 2.87Å; R553-D555 VanDerWaalsContact C-N 3.31Å; R553-D555 PolarHBondContact O-N 3Å; D555-K573 VanDerWaalsContact OD1-CE 3.3Å; D555-K573 WeakPolarHBondContact OD1-CE 3.15Å; D555-K573 IonicContact OD1-NZ 2.77Å; D555-K573 PolarHBondContact OD1-NZ 3.23Å; D555-L609 WeakPolarHBondContact CB-O 3.34Å; D555-L609 PolarHBondContact O-N 3.24Å; D555-L609 VanDerWaalsContact OD1-O 3.13Å; D555-P610 WeakPolarHBondContact OD2-CA 3.08Å; D555-S611 VanDerWaalsContact OD1-CB 3.31Å; D555-S611 WeakPolarHBondContact OD1-CB 3.39Å; D555-S611 PolarHBondContact OD1-N 3.3Å; D555-S611 PolarHBondContact OD1-OG 2.85Å; D555-S611 PolarHBondContact OD2-N 2.03Å; D555-S611 PolarHBondContact OD2-OG 2.8Å; D555-R614 IonicContact OD2-CZ 2.72Å; D555-R614 IonicContact OD2-NE 2.76Å; D555-R614 PolarHBondContact OD2-NE 3.48Å; D555-R614 IonicContact OD2-NH2 3.78Å; D555-R614 PolarHBondContact OD2-NH2 3.07Å
556	L	95.9	Very high	96.8	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	148.7	179.6	-70.1	171.6	0	0	0	113.3	I513 I548 H550 R553 G554 L571 F583 I606 Q607	I513-L556 HydrophobicContact CD1-CD2 4.12Å; I548-L556 HydrophobicContact CG2-CD1 4.02Å; H550-L556 HydrophobicContact CB-CD1 4.12Å; H550-L556 WeakPolarHBondContact NE2-CD2 3.32Å; R553-L556 WeakPolarHBondContact O-CB 3.48Å; R553-L556 PolarHBondContact O-N 3.28Å; G554-L556 PolarHBondContact O-N 2.95Å; L556-L571 HydrophobicContact CB-CD2 4.08Å; L556-F583 HydrophobicContact CD1-CD2 4.38Å; L556-F583 HydrophobicContact CD1-CE2 4.12Å; L556-I606 HydrophobicContact CD2-CG2 3.9Å; L556-Q607 WeakPolarHBondContact CA-O 3.11Å
557	Q	96.9	Very high	96.8	Very high	32 Å²	32	21.9 Å²	21.9	15%	0.15	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	143.9	156.1	-66	-176	-18.2	0	0	109.6	Y559 L571 K573 I606 Q607 L609	Q557-Y559 HydrophobicContact CB-CE2 3.91Å; Q557-Y559 PolarHBondContact OE1-OH 3.3Å; Q557-Y559 VanDerWaalsContact OE1-OH 3.13Å; Q557-L571 WeakPolarHBondContact CA-O 3.44Å; Q557-K573 HydrophobicContact CG-CB 3.98Å; Q557-I606 WeakPolarHBondContact O-CA 3.41Å; Q557-Q607 HydrophobicContact CB-CB 4.37Å; Q557-Q607 PolarHBondContact N-O 3.43Å; Q557-Q607 PolarHBondContact O-N 2.83Å; Q557-L609 VanDerWaalsContact CD-CD1 3.45Å; Q557-L609 HydrophobicContact CG-CD1 4.02Å
558	I	98.5	Very high	96.8	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	133.2	-177.8	-55.3	175.7	0	0	0	108.8	I548 L570 L571 F588 L604 E605 I606	I548-I558 HydrophobicContact CD1-CD1 3.81Å; I558-L570 HydrophobicContact CB-CB 4.27Å; I558-L570 HydrophobicContact CG2-CB 4.04Å; I558-L570 HydrophobicContact CG2-CD1 4.28Å; I558-L570 PolarHBondContact O-N 2.86Å; I558-L571 HydrophobicContact CB-CB 3.89Å; I558-L571 HydrophobicContact CD1-CB 4.19Å; I558-L571 HydrophobicContact CD1-CD2 3.89Å; I558-L571 HydrophobicContact CG1-CB 4.01Å; I558-L571 HydrophobicContact CG1-CD2 4.15Å; I558-L571 PolarHBondContact N-O 3.46Å; I558-L571 VanDerWaalsContact N-O 3.11Å; I558-L571 PolarHBondContact O-N 3.05Å; I558-L571 VanDerWaalsContact O-N 3.14Å; I558-F588 HydrophobicContact CD1-CD2 4.36Å; I558-F588 HydrophobicContact CD1-CE2 3.53Å; I558-F588 HydrophobicContact CD1-CZ 3.68Å; I558-L604 HydrophobicContact CG2-CD1 3.6Å; I558-E605 WeakPolarHBondContact CA-O 3.34Å; I558-I606 HydrophobicContact CG1-CG1 4.41Å; I558-I606 HydrophobicContact CG1-CG2 4.43Å; I558-I606 HydrophobicContact CG2-CG1 4.42Å
559	Y	98.6	Very high	96.9	Very high	30 Å²	30	23.1 Å²	23.1	12%	0.118	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	148.4	176.7	-57.2	-92.8	0	0	0	111.3	Q557 K567 S568 Q569 L604 E605	Q557-Y559 HydrophobicContact CB-CE2 3.91Å; Q557-Y559 PolarHBondContact OE1-OH 3.3Å; Q557-Y559 VanDerWaalsContact OE1-OH 3.13Å; Y559-K567 HydrophobicContact CD1-CD 4.38Å; Y559-K567 HydrophobicContact CD1-CG 4.25Å; Y559-S568 CarbonylContact C-O 3.59Å; Y559-S568 VanDerWaalsContact CA-O 3.25Å; Y559-S568 WeakPolarHBondContact CA-O 3.49Å; Y559-S568 WeakPolarHBondContact CB-O 3.43Å; Y559-Q569 HydrophobicContact CD1-CB 3.67Å; Y559-Q569 HydrophobicContact CD1-CG 3.81Å; Y559-Q569 HydrophobicContact CE1-CB 3.58Å; Y559-Q569 HydrophobicContact CE1-CG 3.42Å; Y559-Q569 VanDerWaalsContact CE1-CG 3.42Å; Y559-Q569 VanDerWaalsContact CE1-OE1 3.29Å; Y559-Q569 PolarHBondContact OH-NE2 2.7Å; Y559-Q569 PolarHBondContact OH-OE1 2.9Å; Y559-L604 WeakPolarHBondContact O-CD1 3.31Å; Y559-E605 PolarHBondContact N-O 3.41Å; Y559-E605 PolarHBondContact O-N 3.48Å
560	L	98.6	Very high	97	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	136.2	169.4	-175.5	70.5	0	0	0	109.5	V542 V544 K567 S568 L570 T590 W602 T603 L627	V542-L560 HydrophobicContact CG1-CD2 3.5Å; V544-L560 HydrophobicContact CG2-CD1 3.96Å; V544-L560 HydrophobicContact CG2-CD2 3.62Å; V544-L560 HydrophobicContact CG2-CG 4.25Å; L560-K567 CarbonylContact O-C 3.53Å; L560-K567 WeakPolarHBondContact O-CA 3.35Å; L560-S568 PolarHBondContact N-O 3.06Å; L560-S568 PolarHBondContact O-N 3.3Å; L560-L570 HydrophobicContact CB-CD1 3.8Å; L560-L570 HydrophobicContact CB-CG 4.23Å; L560-T590 HydrophobicContact CD2-CG2 4.26Å; L560-W602 HydrophobicContact CD1-CE3 3.96Å; L560-W602 HydrophobicContact CD2-CE3 3.74Å; L560-W602 HydrophobicContact CD2-CZ3 3.64Å; L560-W602 HydrophobicContact CG-CE3 3.82Å; L560-W602 HydrophobicContact CG-CZ3 4.05Å; L560-T603 CarbonylContact C-O 3.57Å; L560-T603 WeakPolarHBondContact CA-O 3.27Å; L560-L627 HydrophobicContact CD2-CD1 4.41Å
561	V	98.7	Very high	97.2	Very high	29 Å²	29	21.1 Å²	21.1	18%	0.176	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	125.7	173.2	-167.5	0	0	0	0	109	T566 K567 W602 T603	V561-T566 WeakPolarHBondContact CA-O 2.96Å; V561-K567 HydrophobicContact CG2-CB 4.15Å; V561-K567 HydrophobicContact CG2-CD 4.14Å; V561-K567 HydrophobicContact CG2-CG 4.06Å; V561-W602 WeakPolarHBondContact O-CA 3.5Å; V561-T603 PolarHBondContact N-O 3.13Å; V561-T603 PolarHBondContact O-N 2.77Å
562	S	98.6	Very high	97.4	Very high	4 Å²	4	20.4 Å²	20.4	3%	0.028	12%	0.123	C	C	.	.			trans	-76.3	165.1	176.1	79.5	0	0	0	0	112.5	S564 G565 T566 E596	S562-S564 PolarHBondContact O-N 2.81Å; S562-S564 PolarHBondContact OG-N 2.7Å; S562-G565 PolarHBondContact O-N 3.31Å; S562-G565 PolarHBondContact OG-N 2.68Å; S562-T566 PolarHBondContact N-O 3.12Å; S562-T566 WeakPolarHBondContact OG-CB 3.28Å; S562-T566 PolarHBondContact OG-N 2.92Å; S562-T566 VanDerWaalsContact OG-N 3.09Å; S562-E596 VanDerWaalsContact CB-OE2 3.3Å; S562-E596 WeakPolarHBondContact CB-OE2 3.4Å; S562-E596 PolarHBondContact OG-OE2 2.77Å
563	P	98.4	Very high	97.5	Very high	47 Å²	47	21.6 Å²	21.6	31%	0.305	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-27.9	172.4	-26.1	35.6	0	0	0	113.6	G565 E599 Q601 W602	P563-G565 VanDerWaalsContact C-N 3.28Å; P563-G565 PolarHBondContact O-N 3.45Å; P563-E599 WeakPolarHBondContact CB-O 3.45Å; P563-E599 WeakPolarHBondContact CG-O 3.36Å; P563-Q601 WeakPolarHBondContact CA-O 3.29Å; P563-W602 HydrophobicContact CG-CD2 4.41Å; P563-W602 HydrophobicContact CG-CG 4.39Å; P563-W602 HydrophobicContact CG-CZ2 4.38Å
564	S	98	Very high	97.5	Very high	58 Å²	58	21 Å²	21	41%	0.406	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-4.7	175.7	-29.9	0	0	0	0	113.7	S562 E596	S562-S564 PolarHBondContact O-N 2.81Å; S562-S564 PolarHBondContact OG-N 2.7Å; S564-E596 WeakPolarHBondContact CB-OE2 3Å; S564-E596 PolarHBondContact OG-OE2 2.7Å
565	G	98.1	Very high	97.4	Very high	50 Å²	50	25.9 Å²	25.9	52%	0.515	15%	0.152	S	C	.	.			trans	90.6	3.5	-177.9	0	0	0	0	0	115.4	S562 P563 K567	S562-G565 PolarHBondContact O-N 3.31Å; S562-G565 PolarHBondContact OG-N 2.68Å; P563-G565 VanDerWaalsContact C-N 3.28Å; P563-G565 PolarHBondContact O-N 3.45Å; G565-K567 PolarHBondContact O-N 3.27Å; G565-K567 VanDerWaalsContact O-N 3.16Å
566	T	98.6	Very high	97.4	Very high	17 Å²	17	30.1 Å²	30.1	10%	0.104	17%	0.174	C	C	.	.			trans	-69.1	112.8	179	-63.4	0	0	0	0	110	N466 G467 V561 S562 H592 E596	N466-T566 WeakPolarHBondContact CA-OG1 2.94Å; N466-T566 HydrophobicContact CB-CG2 4.1Å; G467-T566 PolarHBondContact N-OG1 2.98Å; V561-T566 WeakPolarHBondContact CA-O 2.96Å; S562-T566 PolarHBondContact N-O 3.12Å; S562-T566 WeakPolarHBondContact OG-CB 3.28Å; S562-T566 PolarHBondContact OG-N 2.92Å; S562-T566 VanDerWaalsContact OG-N 3.09Å; T566-H592 HydrophobicContact CG2-CB 4.34Å; T566-E596 WeakPolarHBondContact CB-OE1 3.27Å; T566-E596 PolarHBondContact OG1-OE1 3.15Å
567	K	98.3	Very high	97.4	Very high	69 Å²	69	30.1 Å²	30.1	30%	0.3	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	103.4	178.8	-179.7	165.4	172.5	167.7	0	111.6	Y559 L560 V561 G565 E605	Y559-K567 HydrophobicContact CD1-CD 4.38Å; Y559-K567 HydrophobicContact CD1-CG 4.25Å; L560-K567 CarbonylContact O-C 3.53Å; L560-K567 WeakPolarHBondContact O-CA 3.35Å; V561-K567 HydrophobicContact CG2-CB 4.15Å; V561-K567 HydrophobicContact CG2-CD 4.14Å; V561-K567 HydrophobicContact CG2-CG 4.06Å; G565-K567 PolarHBondContact O-N 3.27Å; G565-K567 VanDerWaalsContact O-N 3.16Å; K567-E605 IonicContact NZ-OE2 3.27Å; K567-E605 PolarHBondContact NZ-OE2 3.2Å
568	S	98.4	Very high	97.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	140	169.1	-58.7	0	0	0	0	110.7	Y559 L560 T590	Y559-S568 CarbonylContact C-O 3.59Å; Y559-S568 VanDerWaalsContact CA-O 3.25Å; Y559-S568 WeakPolarHBondContact CA-O 3.49Å; Y559-S568 WeakPolarHBondContact CB-O 3.43Å; L560-S568 PolarHBondContact N-O 3.06Å; L560-S568 PolarHBondContact O-N 3.3Å; S568-T590 PolarHBondContact OG-OG1 3.09Å
569	Q	98.3	Very high	97.1	Very high	32 Å²	32	35 Å²	35	15%	0.15	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	121.4	164.4	-172.1	162.8	-14	0	0	108.4	Y354 A386 H474 Y559 L571 A572	Y354-Q569 WeakPolarHBondContact OH-CB 3.27Å; Y354-Q569 WeakPolarHBondContact OH-CG 3.1Å; Y354-Q569 PolarHBondContact OH-O 3.11Å; Y354-Q569 VanDerWaalsContact OH-O 3.06Å; A386-Q569 VanDerWaalsContact CB-O 3.28Å; A386-Q569 WeakPolarHBondContact CB-O 3.22Å; H474-Q569 PolarHBondContact NE2-N 2.96Å; Y559-Q569 HydrophobicContact CD1-CB 3.67Å; Y559-Q569 HydrophobicContact CD1-CG 3.81Å; Y559-Q569 HydrophobicContact CE1-CB 3.58Å; Y559-Q569 HydrophobicContact CE1-CG 3.42Å; Y559-Q569 VanDerWaalsContact CE1-CG 3.42Å; Y559-Q569 VanDerWaalsContact CE1-OE1 3.29Å; Y559-Q569 PolarHBondContact OH-NE2 2.7Å; Y559-Q569 PolarHBondContact OH-OE1 2.9Å; Q569-L571 PolarHBondContact NE2-O 2.04Å; Q569-A572 VanDerWaalsContact NE2-CA 3.28Å; Q569-A572 VanDerWaalsContact NE2-CB 3.32Å
570	L	98.6	Very high	96.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	-22.4	-178.4	-64.2	-176.1	0	0	0	111.9	S356 V544 I558 L560 F588 T590	S356-L570 VanDerWaalsContact CB-O 3.26Å; S356-L570 WeakPolarHBondContact CB-O 3.48Å; V544-L570 HydrophobicContact CB-CD1 3.89Å; V544-L570 HydrophobicContact CG1-CD1 4.45Å; V544-L570 HydrophobicContact CG2-CD1 3.75Å; I558-L570 HydrophobicContact CB-CB 4.27Å; I558-L570 HydrophobicContact CG2-CB 4.04Å; I558-L570 HydrophobicContact CG2-CD1 4.28Å; I558-L570 PolarHBondContact O-N 2.86Å; L560-L570 HydrophobicContact CB-CD1 3.8Å; L560-L570 HydrophobicContact CB-CG 4.23Å; L570-F588 HydrophobicContact CB-CB 3.92Å; L570-F588 HydrophobicContact CB-CD1 4.35Å; L570-F588 HydrophobicContact CB-CG 4.16Å; L570-F588 HydrophobicContact CD1-CB 3.99Å; L570-F588 HydrophobicContact CD2-CB 4.28Å; L570-F588 HydrophobicContact CG-CB 4.28Å; L570-F588 WeakPolarHBondContact O-CD1 3.48Å; L570-T590 HydrophobicContact CD2-CG2 4.14Å
571	L	98.4	Very high	96.6	Very high	3 Å²	3	45.4 Å²	45.4	2%	0.016	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	130	173.3	-177.5	61.6	0	0	0	110.1	Y354 L556 Q557 I558 Q569 F583 F588	Y354-L571 HydrophobicContact CD1-CD1 4.48Å; L556-L571 HydrophobicContact CB-CD2 4.08Å; Q557-L571 WeakPolarHBondContact CA-O 3.44Å; I558-L571 HydrophobicContact CB-CB 3.89Å; I558-L571 HydrophobicContact CD1-CB 4.19Å; I558-L571 HydrophobicContact CD1-CD2 3.89Å; I558-L571 HydrophobicContact CG1-CB 4.01Å; I558-L571 HydrophobicContact CG1-CD2 4.15Å; I558-L571 PolarHBondContact N-O 3.46Å; I558-L571 VanDerWaalsContact N-O 3.11Å; I558-L571 PolarHBondContact O-N 3.05Å; I558-L571 VanDerWaalsContact O-N 3.14Å; Q569-L571 PolarHBondContact NE2-O 2.04Å; L571-F583 HydrophobicContact CD1-CZ 4.48Å; L571-F583 HydrophobicContact CD2-CE2 3.59Å; L571-F583 HydrophobicContact CD2-CZ 3.59Å; L571-F588 HydrophobicContact CB-CE1 4.11Å; L571-F588 HydrophobicContact CB-CZ 4.45Å; L571-F588 HydrophobicContact CD1-CE1 4.47Å; L571-F588 HydrophobicContact CD2-CZ 4.27Å
572	A	96.3	Very high	96.4	Very high	18 Å²	18	44.2 Å²	44.2	15%	0.149	25%	0.249	C	C	.	.			trans	-91.5	166.5	163.9	0	0	0	0	0	112.6	Y354 Q569 R574	Y354-A572 HydrophobicContact CD2-CB 3.21Å; Y354-A572 HydrophobicContact CE2-CB 3.46Å; Y354-A572 VanDerWaalsContact CE2-CB 3.46Å; Y354-A572 HydrophobicContact CG-CB 3.93Å; Q569-A572 VanDerWaalsContact NE2-CA 3.28Å; Q569-A572 VanDerWaalsContact NE2-CB 3.32Å; A572-R574 PolarHBondContact O-N 2.88Å; A572-R574 VanDerWaalsContact O-N 3.1Å
573	K	94.7	Very high	96.4	Very high	46 Å²	46	44.2 Å²	44.2	20%	0.2	25%	0.249	C	C	.	.			trans	-72.6	101.7	178.1	-174.2	-173.5	172.2	136.3	0	109.5	G554 D555 Q557 L575 L609	G554-K573 WeakPolarHBondContact O-CG 3.45Å; D555-K573 VanDerWaalsContact OD1-CE 3.3Å; D555-K573 WeakPolarHBondContact OD1-CE 3.15Å; D555-K573 IonicContact OD1-NZ 2.77Å; D555-K573 PolarHBondContact OD1-NZ 3.23Å; Q557-K573 HydrophobicContact CG-CB 3.98Å; K573-L575 HydrophobicContact CD-CD2 4.26Å; K573-L609 HydrophobicContact CD-CB 4.29Å; K573-L609 PolarHBondContact NZ-O 3.01Å
574	R	95.7	Very high	96.3	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.008	26%	0.264	C	S	.	.			trans	-85.7	112	177.6	-55.3	-162.6	-57.2	166	3.5	110.7	G312 K313 T314 D353 C357 G554 A572 L576 D577	G312-R574 WeakPolarHBondContact O-CB 3.25Å; K313-R574 PolarHBondContact O-NH2 2.74Å; T314-R574 VanDerWaalsContact O-CZ 3.25Å; T314-R574 PolarHBondContact O-NH1 3.33Å; T314-R574 PolarHBondContact O-NH2 3.15Å; D353-R574 WeakPolarHBondContact OD1-CD 3.46Å; D353-R574 IonicContact OD1-CZ 2.65Å; D353-R574 IonicContact OD1-NE 2.74Å; D353-R574 IonicContact OD1-NH1 3.7Å; D353-R574 PolarHBondContact OD1-NH1 3.09Å; D353-R574 IonicContact OD2-NH1 3.75Å; D353-R574 PolarHBondContact OD2-NH1 2.82Å; C357-R574 VanDerWaalsContact SG-CZ 3.55Å; G554-R574 CarbonylContact C-O 3.52Å; G554-R574 WeakPolarHBondContact CA-O 3.3Å; G554-R574 PolarHBondContact O-N 2.94Å; A572-R574 PolarHBondContact O-N 2.88Å; A572-R574 VanDerWaalsContact O-N 3.1Å; R574-L576 VanDerWaalsContact C-N 3.35Å; R574-L576 PolarHBondContact O-N 2.88Å; R574-D577 HydrophobicContact CB-CB 4.09Å; R574-D577 IonicContact CZ-OD2 3.16Å; R574-D577 IonicContact NE-OD2 2.75Å; R574-D577 IonicContact NH2-OD2 2.72Å; R574-D577 PolarHBondContact NH2-OD2 3.38Å; R574-D577 PolarHBondContact O-N 2.74Å
575	L	93.1	Very high	96.2	Very high	106 Å²	106	48.2 Å²	48.2	56%	0.555	27%	0.267	S	S	*	.	S	Bend	trans	-69.2	-31	-170.5	-68.7	176.7	0	0	0	113.7	R552 K573	R552-L575 PolarHBondContact NH2-O 3.36Å; K573-L575 HydrophobicContact CD-CD2 4.26Å
576	L	94.3	Very high	96.2	Very high	88 Å²	88	47.7 Å²	47.7	46%	0.461	25%	0.249	S	C	.	.	S	Bend	trans	-84.6	-16.6	-177.4	-57.6	-178.2	0	0	0	113.2	D311 G312 E351 R574 L578	D311-L576 WeakPolarHBondContact O-CD1 3.39Å; G312-L576 CarbonylContact O-C 3.49Å; E351-L576 HydrophobicContact CB-CD1 4.03Å; E351-L576 VanDerWaalsContact O-CD1 3.32Å; E351-L576 WeakPolarHBondContact O-CD1 3.43Å; R574-L576 VanDerWaalsContact C-N 3.35Å; R574-L576 PolarHBondContact O-N 2.88Å; L576-L578 PolarHBondContact O-N 3.42Å
577	D	95.8	Very high	96.2	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.005	26%	0.261	C	S	.	.			trans	-71.1	98.7	177.2	-169.2	-13.9	0	0	0	111.5	G312 K313 R552 R553 G554 R574 S579	G312-D577 PolarHBondContact O-N 2.7Å; K313-D577 HydrophobicContact CB-CB 4.28Å; R552-D577 VanDerWaalsContact CG-O 3.32Å; R552-D577 WeakPolarHBondContact CG-O 3.32Å; R552-D577 PolarHBondContact NE-O 2.79Å; R553-D577 WeakPolarHBondContact CB-OD2 3.28Å; R553-D577 VanDerWaalsContact CG-OD2 3.28Å; R553-D577 WeakPolarHBondContact CG-OD2 3.19Å; R553-D577 IonicContact CZ-OD1 2.97Å; R553-D577 IonicContact CZ-OD2 3.29Å; R553-D577 IonicContact NE-OD1 3.56Å; R553-D577 PolarHBondContact NE-OD1 2.96Å; R553-D577 IonicContact NE-OD2 3.11Å; R553-D577 PolarHBondContact NE-OD2 3.43Å; R553-D577 IonicContact NH2-OD1 2.96Å; R553-D577 IonicContact NH2-OD2 2.67Å; G554-D577 WeakPolarHBondContact CA-O 3.35Å; G554-D577 PolarHBondContact N-O 2.03Å; R574-D577 HydrophobicContact CB-CB 4.09Å; R574-D577 IonicContact CZ-OD2 3.16Å; R574-D577 IonicContact NE-OD2 2.75Å; R574-D577 IonicContact NH2-OD2 2.72Å; R574-D577 PolarHBondContact NH2-OD2 3.38Å; R574-D577 PolarHBondContact O-N 2.74Å; D577-S579 WeakPolarHBondContact OD1-CB 3.31Å; D577-S579 PolarHBondContact OD1-N 3.42Å
578	L	93.8	Very high	96.2	Very high	110 Å²	110	47.1 Å²	47.1	58%	0.576	25%	0.247	S	C	*	.			trans	-94.3	1.6	175.1	-52.7	-168.4	0	0	0	113	R552 L576	R552-L578 VanDerWaalsContact NE-CD2 3.29Å; L576-L578 PolarHBondContact O-N 3.42Å
579	S	94.8	Very high	96.2	Very high	24 Å²	24	47.3 Å²	47.3	17%	0.168	25%	0.247	C	C	.	.			trans	-66.1	141.1	-170.3	176.2	0	0	0	0	112.7	R552 R553 D577 E581	R552-S579 CarbonylContact C-O 3.52Å; R552-S579 VanDerWaalsContact CA-O 3.25Å; R552-S579 WeakPolarHBondContact CA-O 3.46Å; R553-S579 WeakPolarHBondContact CB-O 3.49Å; R553-S579 PolarHBondContact N-O 2.72Å; D577-S579 WeakPolarHBondContact OD1-CB 3.31Å; D577-S579 PolarHBondContact OD1-N 3.42Å; S579-E581 WeakPolarHBondContact OG-CB 3.46Å; S579-E581 VanDerWaalsContact OG-CD 3.24Å; S579-E581 VanDerWaalsContact OG-CG 3.29Å; S579-E581 WeakPolarHBondContact OG-CG 3.39Å; S579-E581 PolarHBondContact OG-N 3.31Å; S579-E581 VanDerWaalsContact OG-N 3.13Å; S579-E581 PolarHBondContact OG-OE2 2.55Å
580	N	93	Very high	96.2	Very high	122 Å²	122	45.8 Å²	45.8	65%	0.652	24%	0.24	S	C	*	.	S	Bend	trans	-100.6	3.5	174.3	64.5	11.3	0	0	0	113.5	H550 G582	H550-N580 CarbonylContact O-C 3.55Å; H550-N580 WeakPolarHBondContact O-CA 3.21Å; H550-N580 VanDerWaalsContact O-O 3.09Å; N580-G582 VanDerWaalsContact C-N 3.32Å
581	E	94.1	Very high	96.2	Very high	128 Å²	128	45.9 Å²	45.9	60%	0.598	24%	0.241	S	C	*	.	S	Bend	trans	-69.9	-34.4	178.4	-58.5	157.7	143.3	0	0	111	R553 S579	R553-E581 IonicContact CZ-OE2 2.63Å; R553-E581 IonicContact NH1-OE2 2.73Å; R553-E581 PolarHBondContact NH1-OE2 3.35Å; R553-E581 VanDerWaalsContact NH1-OE2 3.13Å; R553-E581 IonicContact NH2-OE2 3.89Å; S579-E581 WeakPolarHBondContact OG-CB 3.46Å; S579-E581 VanDerWaalsContact OG-CD 3.24Å; S579-E581 VanDerWaalsContact OG-CG 3.29Å; S579-E581 WeakPolarHBondContact OG-CG 3.39Å; S579-E581 PolarHBondContact OG-N 3.31Å; S579-E581 VanDerWaalsContact OG-N 3.13Å; S579-E581 PolarHBondContact OG-OE2 2.55Å
582	G	95.1	Very high	96.2	Very high	4 Å²	4	45.9 Å²	45.9	4%	0.041	24%	0.241	C	C	.	.			trans	66.8	-138.4	-170.7	0	0	0	0	0	111.6	I548 R553 N580	I548-G582 CarbonylContact O-C 3.52Å; I548-G582 WeakPolarHBondContact O-CA 3.18Å; R553-G582 WeakPolarHBondContact CD-O 3.41Å; R553-G582 PolarHBondContact NH1-O 2.9Å; R553-G582 VanDerWaalsContact NH1-O 3.16Å; N580-G582 VanDerWaalsContact C-N 3.32Å
583	F	98.1	Very high	96.3	Very high	4 Å²	4	45.1 Å²	45.1	2%	0.018	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	136.6	179.9	-63.9	-77.4	0	0	0	109.5	V315 S547 I548 R553 L556 L571 W586 F588	V315-F583 HydrophobicContact CG1-CD1 4.23Å; V315-F583 HydrophobicContact CG1-CE1 3.93Å; V315-F583 HydrophobicContact CG2-CE1 3.99Å; S547-F583 CarbonylContact C-O 3.57Å; S547-F583 WeakPolarHBondContact CA-O 3.37Å; I548-F583 HydrophobicContact CB-CB 4.45Å; I548-F583 HydrophobicContact CB-CD2 4.49Å; I548-F583 HydrophobicContact CD1-CD2 4.35Å; I548-F583 PolarHBondContact N-O 2.91Å; I548-F583 PolarHBondContact O-N 3.32Å; I548-F583 VanDerWaalsContact O-O 3.09Å; R553-F583 HydrophobicContact CG-CD2 4.24Å; R553-F583 HydrophobicContact CG-CE1 4.4Å; R553-F583 HydrophobicContact CG-CE2 3.55Å; R553-F583 HydrophobicContact CG-CZ 3.64Å; L556-F583 HydrophobicContact CD1-CD2 4.38Å; L556-F583 HydrophobicContact CD1-CE2 4.12Å; L571-F583 HydrophobicContact CD1-CZ 4.48Å; L571-F583 HydrophobicContact CD2-CE2 3.59Å; L571-F583 HydrophobicContact CD2-CZ 3.59Å; F583-W586 HydrophobicContact CB-CB 3.88Å; F583-W586 HydrophobicContact CD1-CB 3.7Å; F583-W586 AromaticContact CD1-CD1 3.91Å; F583-W586 HydrophobicContact CD1-CD2 4.4Å; F583-W586 AromaticContact CD1-CG 3.7Å; F583-W586 HydrophobicContact CD1-CG 3.7Å; F583-W586 HydrophobicContact CE1-CG 4.29Å; F583-W586 HydrophobicContact CG-CB 4.18Å; F583-F588 AromaticContact CD1-CZ 3.94Å; F583-F588 HydrophobicContact CD1-CZ 3.94Å; F583-F588 HydrophobicContact CD2-CZ 4.18Å; F583-F588 HydrophobicContact CE1-CE1 4.22Å; F583-F588 AromaticContact CE1-CZ 3.69Å; F583-F588 HydrophobicContact CE1-CZ 3.69Å; F583-F588 AromaticContact CE2-CZ 3.95Å; F583-F588 HydrophobicContact CE2-CZ 3.95Å; F583-F588 HydrophobicContact CG-CE2 4.49Å; F583-F588 HydrophobicContact CG-CZ 4.19Å; F583-F588 HydrophobicContact CZ-CE1 4.31Å; F583-F588 AromaticContact CZ-CZ 3.7Å; F583-F588 HydrophobicContact CZ-CZ 3.7Å
584	T	96.8	Very high	96.5	Very high	101 Å²	101	42.9 Å²	42.9	62%	0.62	23%	0.225	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-129.4	108.2	176.6	-65	0	0	0	0	108.6	W586	T584-W586 PolarHBondContact O-N 2.86Å; T584-W586 VanDerWaalsContact O-N 3.17Å
585	N	95.9	Very high	96.6	Very high	87 Å²	87	43.7 Å²	43.7	47%	0.465	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	50.7	31.9	-172.1	-66.3	-34.7	0	0	0	114	R545 T546 S547	R545-N585 HydrophobicContact CG-CB 4.38Å; T546-N585 CarbonylContact O-C 3.58Å; T546-N585 VanDerWaalsContact O-CA 3.31Å; T546-N585 WeakPolarHBondContact O-CA 3.36Å; T546-N585 PolarHBondContact O-N 3.24Å; S547-N585 PolarHBondContact OG-N 2.82Å; S547-N585 PolarHBondContact OG-OD1 3.13Å; S547-N585 VanDerWaalsContact OG-OD1 3.1Å
586	W	98.2	Very high	96.9	Very high	40 Å²	40	38.8 Å²	38.8	15%	0.152	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	132.1	177.6	-169.7	-100.6	0	0	0	110.2	V315 D316 S356 C357 R545 T546 F583 T584 F588	V315-W586 HydrophobicContact CG1-CD2 3.79Å; V315-W586 HydrophobicContact CG1-CE3 3.69Å; V315-W586 HydrophobicContact CG1-CH2 3.77Å; V315-W586 HydrophobicContact CG1-CZ2 3.87Å; V315-W586 HydrophobicContact CG1-CZ3 3.68Å; D316-W586 WeakPolarHBondContact O-CH2 3.04Å; S356-W586 PolarHBondContact O-NE1 2.83Å; C357-W586 WeakPolarHBondContact O-CZ2 3.4Å; R545-W586 CarbonylContact C-O 3.48Å; R545-W586 WeakPolarHBondContact CA-O 3.44Å; T546-W586 PolarHBondContact N-O 2.69Å; T546-W586 PolarHBondContact O-N 3.25Å; F583-W586 HydrophobicContact CB-CB 3.88Å; F583-W586 HydrophobicContact CD1-CB 3.7Å; F583-W586 AromaticContact CD1-CD1 3.91Å; F583-W586 HydrophobicContact CD1-CD2 4.4Å; F583-W586 AromaticContact CD1-CG 3.7Å; F583-W586 HydrophobicContact CD1-CG 3.7Å; F583-W586 HydrophobicContact CE1-CG 4.29Å; F583-W586 HydrophobicContact CG-CB 4.18Å; T584-W586 PolarHBondContact O-N 2.86Å; T584-W586 VanDerWaalsContact O-N 3.17Å; W586-F588 AromaticContact CD1-CD1 3.7Å; W586-F588 AromaticContact CD1-CD2 3.92Å; W586-F588 AromaticContact CD1-CE1 3.49Å; W586-F588 VanDerWaalsContact CD1-CE1 3.49Å; W586-F588 AromaticContact CD1-CE2 3.73Å; W586-F588 AromaticContact CD1-CG 3.91Å; W586-F588 AromaticContact CD1-CZ 3.51Å; W586-F588 HydrophobicContact CG-CZ 4.49Å; W586-F588 AromaticContact NE1-CD1 3.8Å; W586-F588 AromaticContact NE1-CE1 3.69Å
587	E	98	Very high	97.1	Very high	74 Å²	74	40.9 Å²	40.9	35%	0.346	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	100.4	-175.6	-74.1	-176.4	158	0	0	109.1	N362 V543 R545	N362-E587 PolarHBondContact ND2-O 2.9Å; V543-E587 HydrophobicContact CG1-CB 3.69Å; V543-E587 HydrophobicContact CG1-CG 3.98Å; R545-E587 HydrophobicContact CB-CG 3.77Å; R545-E587 WeakPolarHBondContact CD-OE1 3.04Å; R545-E587 HydrophobicContact CG-CG 3.71Å; R545-E587 IonicContact CZ-OE1 2.75Å; R545-E587 IonicContact NE-OE1 2.66Å; R545-E587 IonicContact NH1-OE1 3.5Å; R545-E587 PolarHBondContact NH1-OE1 2.82Å
588	F	98.6	Very high	97.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	132.5	173.1	-64.8	-77.5	0	0	0	110.1	V543 V544 T546 I558 L570 L571 F583 W586	V543-F588 CarbonylContact C-O 3.47Å; V543-F588 WeakPolarHBondContact CA-O 3.09Å; V544-F588 PolarHBondContact N-O 3.3Å; V544-F588 PolarHBondContact O-N 3.22Å; T546-F588 HydrophobicContact CG2-CD2 4.26Å; T546-F588 HydrophobicContact CG2-CE2 4.43Å; T546-F588 WeakPolarHBondContact OG1-CE2 3.47Å; I558-F588 HydrophobicContact CD1-CD2 4.36Å; I558-F588 HydrophobicContact CD1-CE2 3.53Å; I558-F588 HydrophobicContact CD1-CZ 3.68Å; L570-F588 HydrophobicContact CB-CB 3.92Å; L570-F588 HydrophobicContact CB-CD1 4.35Å; L570-F588 HydrophobicContact CB-CG 4.16Å; L570-F588 HydrophobicContact CD1-CB 3.99Å; L570-F588 HydrophobicContact CD2-CB 4.28Å; L570-F588 HydrophobicContact CG-CB 4.28Å; L570-F588 WeakPolarHBondContact O-CD1 3.48Å; L571-F588 HydrophobicContact CB-CE1 4.11Å; L571-F588 HydrophobicContact CB-CZ 4.45Å; L571-F588 HydrophobicContact CD1-CE1 4.47Å; L571-F588 HydrophobicContact CD2-CZ 4.27Å; F583-F588 AromaticContact CD1-CZ 3.94Å; F583-F588 HydrophobicContact CD1-CZ 3.94Å; F583-F588 HydrophobicContact CD2-CZ 4.18Å; F583-F588 HydrophobicContact CE1-CE1 4.22Å; F583-F588 AromaticContact CE1-CZ 3.69Å; F583-F588 HydrophobicContact CE1-CZ 3.69Å; F583-F588 AromaticContact CE2-CZ 3.95Å; F583-F588 HydrophobicContact CE2-CZ 3.95Å; F583-F588 HydrophobicContact CG-CE2 4.49Å; F583-F588 HydrophobicContact CG-CZ 4.19Å; F583-F588 HydrophobicContact CZ-CE1 4.31Å; F583-F588 AromaticContact CZ-CZ 3.7Å; F583-F588 HydrophobicContact CZ-CZ 3.7Å; W586-F588 AromaticContact CD1-CD1 3.7Å; W586-F588 AromaticContact CD1-CD2 3.92Å; W586-F588 AromaticContact CD1-CE1 3.49Å; W586-F588 VanDerWaalsContact CD1-CE1 3.49Å; W586-F588 AromaticContact CD1-CE2 3.73Å; W586-F588 AromaticContact CD1-CG 3.91Å; W586-F588 AromaticContact CD1-CZ 3.51Å; W586-F588 HydrophobicContact CG-CZ 4.49Å; W586-F588 AromaticContact NE1-CD1 3.8Å; W586-F588 AromaticContact NE1-CE1 3.69Å
589	M	98.6	Very high	97.3	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.015	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	147.1	-175.6	-164.2	-89.8	-80	0	0	112.1	N362 I364 H541 V542 V543 V591	N362-M589 WeakPolarHBondContact O-CB 3.5Å; N362-M589 WeakPolarHBondContact O-CE 3.36Å; N362-M589 WeakPolarHBondContact OD1-CB 3.22Å; N362-M589 PolarHBondContact OD1-N 3.44Å; I364-M589 HydrophobicContact CG2-CG 3.84Å; H541-M589 HydrophobicContact CB-SD 4.32Å; V542-M589 CarbonylContact O-C 3.53Å; V542-M589 WeakPolarHBondContact O-CA 3.24Å; V543-M589 HydrophobicContact CG2-CB 4.21Å; V543-M589 HydrophobicContact CG2-CG 3.79Å; M589-V591 HydrophobicContact CE-CG1 4.16Å; M589-V591 HydrophobicContact SD-CG1 3.71Å
590	T	98.8	Very high	97.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	135.9	167.1	178.3	0	0	0	0	112.5	A386 V542 L560 S568 L570 H592	A386-T590 WeakPolarHBondContact CB-OG1 3.48Å; A386-T590 VanDerWaalsContact O-CA 3.3Å; A386-T590 WeakPolarHBondContact O-CA 3.43Å; A386-T590 PolarHBondContact O-OG1 2.61Å; V542-T590 HydrophobicContact CB-CG2 3.87Å; V542-T590 HydrophobicContact CG1-CG2 4.33Å; V542-T590 PolarHBondContact N-O 3.49Å; V542-T590 PolarHBondContact O-N 2.69Å; L560-T590 HydrophobicContact CD2-CG2 4.26Å; S568-T590 PolarHBondContact OG-OG1 3.09Å; L570-T590 HydrophobicContact CD2-CG2 4.14Å; T590-H592 WeakPolarHBondContact OG1-CB 3.09Å; T590-H592 PolarHBondContact OG1-N 3.08Å
591	V	98.8	Very high	97.7	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.018	21%	0.206	C	C	.	.			trans	-98.7	-4.8	168.4	-64.5	0	0	0	0	112.3	A386 T388 L389 F478 M589 C593 W594	A386-V591 WeakPolarHBondContact O-CG2 3.34Å; A386-V591 PolarHBondContact O-N 3.2Å; T388-V591 WeakPolarHBondContact O-CG2 3.12Å; L389-V591 HydrophobicContact CD1-CB 4.04Å; L389-V591 HydrophobicContact CD1-CG1 3.98Å; L389-V591 HydrophobicContact CD1-CG2 4.01Å; F478-V591 HydrophobicContact CE2-CB 4.22Å; F478-V591 HydrophobicContact CE2-CG2 3.97Å; F478-V591 WeakPolarHBondContact CZ-O 3.18Å; M589-V591 HydrophobicContact CE-CG1 4.16Å; M589-V591 HydrophobicContact SD-CG1 3.71Å; V591-C593 PolarHBondContact O-N 3.37Å; V591-C593 VanDerWaalsContact O-N 3.1Å; V591-W594 HydrophobicContact CB-CE3 4.02Å; V591-W594 HydrophobicContact CB-CZ3 4.46Å; V591-W594 HydrophobicContact CG1-CE3 4.06Å; V591-W594 HydrophobicContact CG1-CZ3 4.01Å; V591-W594 WeakPolarHBondContact O-CB 3.47Å; V591-W594 PolarHBondContact O-N 2.82Å
592	H	98.7	Very high	97.9	Very high	3 Å²	3	34.5 Å²	34.5	1%	0.014	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-20.4	-175.9	-70.1	-177.2	0	0	0	113.9	N466 V472 H474 T566 T590 W594	N466-H592 VanDerWaalsContact CB-O 3.25Å; N466-H592 WeakPolarHBondContact CB-O 3.26Å; N466-H592 PolarHBondContact ND2-O 3.06Å; V472-H592 HydrophobicContact CB-CB 4.46Å; V472-H592 HydrophobicContact CG2-CB 4.08Å; H474-H592 AromaticContact CD2-CE1 3.42Å; H474-H592 PolarHBondContact CD2-CE1 3.17Å; H474-H592 VanDerWaalsContact CD2-CE1 3.42Å; H474-H592 AromaticContact CD2-ND1 3.9Å; H474-H592 AromaticContact CE1-CE1 3.59Å; H474-H592 AromaticContact CE1-ND1 3.71Å; H474-H592 AromaticContact CG-CE1 3.57Å; H474-H592 AromaticContact ND1-CE1 3.69Å; H474-H592 AromaticContact NE2-CE1 3.43Å; H474-H592 PolarHBondContact NE2-CE1 3.25Å; H474-H592 AromaticContact NE2-ND1 3.46Å; H474-H592 PolarHBondContact NE2-ND1 3.15Å; T566-H592 HydrophobicContact CG2-CB 4.34Å; T590-H592 WeakPolarHBondContact OG1-CB 3.09Å; T590-H592 PolarHBondContact OG1-N 3.08Å; H592-W594 VanDerWaalsContact C-N 3.34Å
593	C	98.4	Very high	98.1	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.007	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	8.7	177.1	-52	0	0	0	0	113.6	L539 V542 V591 G595 E596 W602	L539-C593 HydrophobicContact CD1-CB 3.88Å; V542-C593 HydrophobicContact CG2-CB 4.18Å; V591-C593 PolarHBondContact O-N 3.37Å; V591-C593 VanDerWaalsContact O-N 3.1Å; C593-G595 PolarHBondContact O-N 2.82Å; C593-E596 VanDerWaalsContact O-CB 3.23Å; C593-E596 WeakPolarHBondContact O-CB 3.5Å; C593-E596 WeakPolarHBondContact O-CG 3.2Å; C593-E596 PolarHBondContact O-N 3.31Å; C593-W602 HydrophobicContact CB-CH2 4.33Å
594	W	98.7	Very high	98.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	133.9	-175.9	-154.9	-69.5	0	0	0	112.4	L389 Q446 H447 V450 N466 F478 E540 H541 V591 H592 E596	L389-W594 HydrophobicContact CD1-CE3 4.4Å; L389-W594 HydrophobicContact CD1-CZ3 4.19Å; Q446-W594 HydrophobicContact CB-CH2 3.69Å; Q446-W594 HydrophobicContact CB-CZ2 4.17Å; H447-W594 AromaticContact CD2-CZ2 3.7Å; H447-W594 AromaticContact CE1-CE2 3.94Å; H447-W594 AromaticContact CE1-CZ2 4Å; H447-W594 AromaticContact CE1-NE1 3.3Å; H447-W594 PolarHBondContact CE1-NE1 2.86Å; H447-W594 VanDerWaalsContact CE1-NE1 3.3Å; H447-W594 AromaticContact CG-CZ2 3.86Å; H447-W594 AromaticContact CG-NE1 3.83Å; H447-W594 AromaticContact ND1-CE2 3.93Å; H447-W594 AromaticContact ND1-NE1 3.19Å; H447-W594 PolarHBondContact ND1-NE1 3.42Å; H447-W594 VanDerWaalsContact ND1-NE1 3.19Å; H447-W594 AromaticContact NE2-CZ2 3.79Å; H447-W594 AromaticContact NE2-NE1 3.98Å; V450-W594 HydrophobicContact CG1-CB 4.33Å; V450-W594 HydrophobicContact CG1-CD2 4.49Å; V450-W594 HydrophobicContact CG1-CG 3.96Å; V450-W594 HydrophobicContact CG2-CD2 3.88Å; V450-W594 HydrophobicContact CG2-CE3 4.19Å; V450-W594 HydrophobicContact CG2-CG 4.16Å; N466-W594 PolarHBondContact ND2-O 2.98Å; F478-W594 HydrophobicContact CE1-CB 4.4Å; F478-W594 HydrophobicContact CZ-CB 3.72Å; E540-W594 HydrophobicContact CB-CD2 4.34Å; E540-W594 HydrophobicContact CB-CE3 4.32Å; E540-W594 HydrophobicContact CB-CH2 3.9Å; E540-W594 HydrophobicContact CB-CZ2 3.92Å; E540-W594 HydrophobicContact CB-CZ3 4.11Å; E540-W594 HydrophobicContact CG-CH2 4.19Å; E540-W594 HydrophobicContact CG-CZ2 3.74Å; H541-W594 AromaticContact CD2-CZ3 3.87Å; H541-W594 AromaticContact CE1-CH2 3.95Å; H541-W594 AromaticContact NE2-CH2 3.82Å; H541-W594 AromaticContact NE2-CZ3 3.61Å; V591-W594 HydrophobicContact CB-CE3 4.02Å; V591-W594 HydrophobicContact CB-CZ3 4.46Å; V591-W594 HydrophobicContact CG1-CE3 4.06Å; V591-W594 HydrophobicContact CG1-CZ3 4.01Å; V591-W594 WeakPolarHBondContact O-CB 3.47Å; V591-W594 PolarHBondContact O-N 2.82Å; H592-W594 VanDerWaalsContact C-N 3.34Å; W594-E596 PolarHBondContact O-N 3.21Å
595	G	97.9	Very high	98.2	Very high	18 Å²	18	31 Å²	31	19%	0.186	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	79	-9.5	-177.2	0	0	0	0	0	115.3	A468 L539 C593	A468-G595 VanDerWaalsContact CB-C 3.49Å; L539-G595 PolarHBondContact O-N 2.91Å; C593-G595 PolarHBondContact O-N 2.82Å
596	E	98.4	Very high	98.3	Very high	3 Å²	3	27 Å²	27	1%	0.014	13%	0.134	C	C	.	.	S	Bend	trans	-70.4	161.7	178.9	-68.1	-174.4	-154.8	0	0	112.7	N466 G467 A468 Y538 L539 S562 S564 T566 C593 W594	N466-E596 WeakPolarHBondContact CB-OE1 3.34Å; G467-E596 PolarHBondContact N-OE1 3.18Å; A468-E596 HydrophobicContact CB-CG 4.2Å; Y538-E596 WeakPolarHBondContact CA-O 3.39Å; L539-E596 HydrophobicContact CD1-CB 4.11Å; L539-E596 PolarHBondContact N-O 3.19Å; S562-E596 VanDerWaalsContact CB-OE2 3.3Å; S562-E596 WeakPolarHBondContact CB-OE2 3.4Å; S562-E596 PolarHBondContact OG-OE2 2.77Å; S564-E596 WeakPolarHBondContact CB-OE2 3Å; S564-E596 PolarHBondContact OG-OE2 2.7Å; T566-E596 WeakPolarHBondContact CB-OE1 3.27Å; T566-E596 PolarHBondContact OG1-OE1 3.15Å; C593-E596 VanDerWaalsContact O-CB 3.23Å; C593-E596 WeakPolarHBondContact O-CB 3.5Å; C593-E596 WeakPolarHBondContact O-CG 3.2Å; C593-E596 PolarHBondContact O-N 3.31Å; W594-E596 PolarHBondContact O-N 3.21Å
597	K	97.8	Very high	98.2	Very high	133 Å²	133	26.7 Å²	26.7	58%	0.578	13%	0.134	S	C	*	.	B	Isolated β-bridge	trans	-73	130.6	168.9	-73	-171.5	174.7	-173.3	0	110.7	V537	V537-K597 VanDerWaalsContact O-CA 3.31Å; V537-K597 WeakPolarHBondContact O-CA 3.37Å
598	A	97.5	Very high	97.9	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.118	C	C	.	.			trans	-75.1	-29.4	-177.6	0	0	0	0	0	114.2	A527 V536 V537 L539 W602 L629	A527-A598 HydrophobicContact CB-CB 3.48Å; A527-A598 VanDerWaalsContact CB-CB 3.48Å; V536-A598 HydrophobicContact CB-CB 4.38Å; V536-A598 HydrophobicContact CG1-CB 4.01Å; V536-A598 WeakPolarHBondContact O-CB 3.32Å; V537-A598 PolarHBondContact O-N 2.86Å; L539-A598 HydrophobicContact CD2-CB 3.58Å; L539-A598 HydrophobicContact CG-CB 3.98Å; A598-W602 PolarHBondContact O-NE1 3.05Å; A598-L629 HydrophobicContact CB-CD1 3.99Å
599	E	97.4	Very high	97.5	Very high	125 Å²	125	25.5 Å²	25.5	58%	0.584	13%	0.13	S	C	*	.			trans	-72.4	140.4	-177.1	175	172.9	-147.6	0	0	112.7	P563	P563-E599 WeakPolarHBondContact CB-O 3.45Å; P563-E599 WeakPolarHBondContact CG-O 3.36Å
600	G	97.7	Very high	96.5	Very high	17 Å²	17	28.4 Å²	28.4	18%	0.175	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	127.3	-155	173.7	0	0	0	0	0	113.5	T525	T525-G600 PolarHBondContact N-O 2.83Å; T525-G600 PolarHBondContact O-N 3Å
601	Q	98.3	Very high	95.2	Very high	108 Å²	108	30 Å²	30	51%	0.505	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	114.2	-177.3	-176	172.1	65.4	0	0	111.8	T522 A523 L524 P563	T522-Q601 HydrophobicContact CG2-CG 4.27Å; A523-Q601 WeakPolarHBondContact O-CA 3.37Å; L524-Q601 HydrophobicContact CD1-CB 4.41Å; P563-Q601 WeakPolarHBondContact CA-O 3.29Å
602	W	98.5	Very high	93.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	144	168.1	-68.7	82	0	0	0	110.4	T522 A523 L539 V542 L560 V561 P563 C593 A598 L627 L629	T522-W602 CarbonylContact C-O 3.58Å; T522-W602 VanDerWaalsContact CA-O 3.23Å; T522-W602 WeakPolarHBondContact CA-O 3.45Å; A523-W602 PolarHBondContact N-O 2.04Å; A523-W602 PolarHBondContact O-N 2.03Å; L539-W602 HydrophobicContact CD1-CH2 3.64Å; L539-W602 HydrophobicContact CD1-CZ2 3.62Å; V542-W602 HydrophobicContact CG1-CH2 4.18Å; V542-W602 HydrophobicContact CG1-CZ3 4Å; V542-W602 HydrophobicContact CG2-CH2 3.82Å; V542-W602 HydrophobicContact CG2-CZ3 4.39Å; L560-W602 HydrophobicContact CD1-CE3 3.96Å; L560-W602 HydrophobicContact CD2-CE3 3.74Å; L560-W602 HydrophobicContact CD2-CZ3 3.64Å; L560-W602 HydrophobicContact CG-CE3 3.82Å; L560-W602 HydrophobicContact CG-CZ3 4.05Å; V561-W602 WeakPolarHBondContact O-CA 3.5Å; P563-W602 HydrophobicContact CG-CD2 4.41Å; P563-W602 HydrophobicContact CG-CG 4.39Å; P563-W602 HydrophobicContact CG-CZ2 4.38Å; C593-W602 HydrophobicContact CB-CH2 4.33Å; A598-W602 PolarHBondContact O-NE1 3.05Å; W602-L627 HydrophobicContact CB-CD2 3.79Å; W602-L627 HydrophobicContact CD2-CD1 4.4Å; W602-L627 HydrophobicContact CD2-CD2 3.83Å; W602-L627 HydrophobicContact CE3-CD1 4.4Å; W602-L627 HydrophobicContact CG-CD2 3.41Å; W602-L627 VanDerWaalsContact CG-CD2 3.41Å; W602-L629 HydrophobicContact CH2-CD2 4.42Å; W602-L629 HydrophobicContact CZ2-CD2 3.93Å
603	T	98.4	Very high	91.9	Very high	26 Å²	26	44 Å²	44	16%	0.16	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	119.5	174.9	-52.8	0	0	0	0	111.1	T522 L560 V561 E605	T522-T603 HydrophobicContact CG2-CG2 4.1Å; L560-T603 CarbonylContact C-O 3.57Å; L560-T603 WeakPolarHBondContact CA-O 3.27Å; V561-T603 PolarHBondContact N-O 3.13Å; V561-T603 PolarHBondContact O-N 2.77Å; T603-E605 HydrophobicContact CG2-CG 4.19Å
604	L	98.4	Very high	90.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	123.9	167.4	171.9	63.5	0	0	0	108.7	T521 V544 I558 Y559 I606 W625	T521-L604 HydrophobicContact CG2-CB 3.76Å; T521-L604 HydrophobicContact CG2-CD2 3.93Å; T521-L604 HydrophobicContact CG2-CG 4.07Å; T521-L604 PolarHBondContact N-O 3.36Å; T521-L604 PolarHBondContact O-N 2.77Å; V544-L604 HydrophobicContact CG1-CD1 4.22Å; V544-L604 HydrophobicContact CG1-CD2 4.17Å; I558-L604 HydrophobicContact CG2-CD1 3.6Å; Y559-L604 WeakPolarHBondContact O-CD1 3.31Å; L604-I606 HydrophobicContact CD1-CG1 4.34Å; L604-I606 HydrophobicContact CD2-CD1 4.41Å; L604-I606 HydrophobicContact CG-CG1 4.27Å; L604-W625 HydrophobicContact CB-CE3 4.37Å; L604-W625 HydrophobicContact CB-CH2 4.24Å; L604-W625 HydrophobicContact CB-CZ3 4.14Å; L604-W625 HydrophobicContact CD2-CB 4.11Å; L604-W625 HydrophobicContact CD2-CD2 3.6Å; L604-W625 HydrophobicContact CD2-CE3 3.66Å; L604-W625 HydrophobicContact CD2-CG 3.82Å; L604-W625 HydrophobicContact CD2-CZ3 4.27Å
605	E	98.4	Very high	89.5	Confident	10 Å²	10	49.3 Å²	49.3	5%	0.047	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	126.3	173.6	-55.1	-165.2	121.3	0	0	109.6	V518 L519 R520 I558 Y559 K567 T603	V518-E605 HydrophobicContact CG1-CB 3.71Å; V518-E605 HydrophobicContact CG1-CG 4.14Å; L519-E605 WeakPolarHBondContact O-CA 3.12Å; R520-E605 HydrophobicContact CG-CG 4.31Å; R520-E605 IonicContact CZ-OE1 3.92Å; R520-E605 IonicContact NE-OE1 3.85Å; R520-E605 PolarHBondContact NE-OE1 3.37Å; R520-E605 IonicContact NH2-OE1 2.68Å; R520-E605 PolarHBondContact NH2-OE1 3.39Å; I558-E605 WeakPolarHBondContact CA-O 3.34Å; Y559-E605 PolarHBondContact N-O 3.41Å; Y559-E605 PolarHBondContact O-N 3.48Å; K567-E605 IonicContact NZ-OE2 3.27Å; K567-E605 PolarHBondContact NZ-OE2 3.2Å; T603-E605 HydrophobicContact CG2-CG 4.19Å
606	I	98.2	Very high	88.2	Confident	2 Å²	2	52.6 Å²	52.6	1%	0.01	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	129	171.9	-55.9	176.6	0	0	0	107.9	I513 L519 I548 L556 Q557 I558 L604 L622	I513-I606 HydrophobicContact CD1-CG2 3.92Å; I513-I606 HydrophobicContact CG1-CG2 4.3Å; I513-I606 HydrophobicContact CG2-CG2 4.07Å; L519-I606 HydrophobicContact CB-CB 4.36Å; L519-I606 PolarHBondContact N-O 3.36Å; L519-I606 PolarHBondContact O-N 3Å; I548-I606 HydrophobicContact CD1-CD1 3.95Å; L556-I606 HydrophobicContact CD2-CG2 3.9Å; Q557-I606 WeakPolarHBondContact O-CA 3.41Å; I558-I606 HydrophobicContact CG1-CG1 4.41Å; I558-I606 HydrophobicContact CG1-CG2 4.43Å; I558-I606 HydrophobicContact CG2-CG1 4.42Å; L604-I606 HydrophobicContact CD1-CG1 4.34Å; L604-I606 HydrophobicContact CD2-CD1 4.41Å; L604-I606 HydrophobicContact CG-CG1 4.27Å; I606-L622 HydrophobicContact CD1-CB 4.34Å; I606-L622 HydrophobicContact CD1-CD1 3.99Å; I606-L622 HydrophobicContact CD1-CD2 4.01Å; I606-L622 HydrophobicContact CD1-CG 4.34Å
607	Q	95.9	Very high	87	Confident	35 Å²	35	60.1 Å²	60.1	16%	0.164	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	137.9	177	-51.8	-170.5	11.5	0	0	109.2	V518 L556 Q557 L609	V518-Q607 HydrophobicContact CB-CG 4.4Å; V518-Q607 HydrophobicContact CG1-CG 4.09Å; V518-Q607 HydrophobicContact CG2-CG 4.01Å; L556-Q607 WeakPolarHBondContact CA-O 3.11Å; Q557-Q607 HydrophobicContact CB-CB 4.37Å; Q557-Q607 PolarHBondContact N-O 3.43Å; Q557-Q607 PolarHBondContact O-N 2.83Å; Q607-L609 HydrophobicContact CB-CD2 4.5Å; Q607-L609 HydrophobicContact CB-CG 4.47Å
608	D	93.1	Very high	86.3	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	104.8	170.2	-178.1	16	0	0	0	109.4	I513 L515 V516 H550 P610 R614	I513-D608 HydrophobicContact CG2-CB 3.71Å; L515-D608 WeakPolarHBondContact CD2-OD2 3.23Å; V516-D608 PolarHBondContact N-O 2.03Å; H550-D608 VanDerWaalsContact CE1-CG 3.41Å; H550-D608 IonicContact CE1-OD1 2.69Å; H550-D608 PolarHBondContact CE1-OD1 3.41Å; H550-D608 IonicContact CE1-OD2 3.37Å; H550-D608 IonicContact NE2-OD1 3.58Å; H550-D608 IonicContact NE2-OD2 2.7Å; H550-D608 PolarHBondContact NE2-OD2 2.87Å; D608-P610 WeakPolarHBondContact O-CD 3.02Å; D608-R614 IonicContact OD1-CZ 3.36Å; D608-R614 IonicContact OD1-NH1 3.58Å; D608-R614 IonicContact OD1-NH2 2.68Å; D608-R614 PolarHBondContact OD1-NH2 2.77Å; D608-R614 IonicContact OD2-CZ 3.11Å; D608-R614 VanDerWaalsContact OD2-CZ 3.31Å; D608-R614 IonicContact OD2-NH1 3.42Å; D608-R614 PolarHBondContact OD2-NH1 2.75Å; D608-R614 IonicContact OD2-NH2 3.14Å; D608-R614 PolarHBondContact OD2-NH2 2.95Å
609	L	89.8	Confident	85.8	Confident	48 Å²	48	65.3 Å²	65.3	25%	0.251	33%	0.334	S	S	.	.			trans	-101.7	94.8	-176.5	-61.2	-177.4	0	0	0	108.8	D555 Q557 K573 Q607	D555-L609 WeakPolarHBondContact CB-O 3.34Å; D555-L609 PolarHBondContact O-N 3.24Å; D555-L609 VanDerWaalsContact OD1-O 3.13Å; Q557-L609 VanDerWaalsContact CD-CD1 3.45Å; Q557-L609 HydrophobicContact CG-CD1 4.02Å; K573-L609 HydrophobicContact CD-CB 4.29Å; K573-L609 PolarHBondContact NZ-O 3.01Å; Q607-L609 HydrophobicContact CB-CD2 4.5Å; Q607-L609 HydrophobicContact CB-CG 4.47Å
610	P	76.8	Confident	85.6	Confident	65 Å²	65	59.3 Å²	59.3	42%	0.422	31%	0.307	S	S	.	.			trans	-56	143.6	-177.9	17.9	-30.7	0	0	0	115.1	V516 D555 D608	V516-P610 HydrophobicContact CG2-CG 4Å; D555-P610 WeakPolarHBondContact OD2-CA 3.08Å; D608-P610 WeakPolarHBondContact O-CD 3.02Å
611	S	72.9	Confident	85.5	Confident	34 Å²	34	63.7 Å²	63.7	24%	0.238	32%	0.321	C	S	.	.			trans	-121.2	167.3	160.8	58.7	0	0	0	0	111.1	R552 D555 V613	R552-S611 VanDerWaalsContact CZ-OG 3.23Å; R552-S611 PolarHBondContact NH1-OG 2.95Å; R552-S611 PolarHBondContact NH2-OG 3.14Å; D555-S611 VanDerWaalsContact OD1-CB 3.31Å; D555-S611 WeakPolarHBondContact OD1-CB 3.39Å; D555-S611 PolarHBondContact OD1-N 3.3Å; D555-S611 PolarHBondContact OD1-OG 2.85Å; D555-S611 PolarHBondContact OD2-N 2.03Å; D555-S611 PolarHBondContact OD2-OG 2.8Å; S611-V613 PolarHBondContact O-N 3.41Å
612	Q	64.3	Low	85.4	Confident	196 Å²	196	58.6 Å²	58.6	92%	0.916	30%	0.297	S	S	*	.	S	Bend	trans	-57.2	-4.4	-167.6	-68.2	-83.2	-7.8	0	0	116.7
613	V	64	Low	85.4	Confident	102 Å²	102	62.9 Å²	62.9	62%	0.618	32%	0.316	S	S	*	.	S	Bend	trans	-132.1	83.4	-173.5	-170.2	0	0	0	0	110.8	R552 S611	R552-V613 PolarHBondContact NH1-O 3.13Å; S611-V613 PolarHBondContact O-N 3.41Å
614	R	74.4	Confident	85.3	Confident	46 Å²	46	64.2 Å²	64.2	17%	0.174	32%	0.32	C	S	.	.	S	Bend	trans	-171.2	164.2	156.3	53.9	169.5	166.6	139.8	-0.9	110.6	D555 D608 P616	D555-R614 IonicContact OD2-CZ 2.72Å; D555-R614 IonicContact OD2-NE 2.76Å; D555-R614 PolarHBondContact OD2-NE 3.48Å; D555-R614 IonicContact OD2-NH2 3.78Å; D555-R614 PolarHBondContact OD2-NH2 3.07Å; D608-R614 IonicContact OD1-CZ 3.36Å; D608-R614 IonicContact OD1-NH1 3.58Å; D608-R614 IonicContact OD1-NH2 2.68Å; D608-R614 PolarHBondContact OD1-NH2 2.77Å; D608-R614 IonicContact OD2-CZ 3.11Å; D608-R614 VanDerWaalsContact OD2-CZ 3.31Å; D608-R614 IonicContact OD2-NH1 3.42Å; D608-R614 PolarHBondContact OD2-NH1 2.75Å; D608-R614 IonicContact OD2-NH2 3.14Å; D608-R614 PolarHBondContact OD2-NH2 2.95Å; R614-P616 WeakPolarHBondContact O-CD 3.03Å
615	N	72.4	Confident	85.2	Confident	68 Å²	68	64.5 Å²	64.5	36%	0.364	32%	0.321	S	S	.	.			trans	-72.4	120.8	168.4	178.6	-13.4	0	0	0	109.3	E617 K618	N615-E617 VanDerWaalsContact C-N 3.29Å; N615-E617 PolarHBondContact ND2-OE2 3.1Å; N615-E617 PolarHBondContact O-N 3.45Å; N615-E617 VanDerWaalsContact OD1-CB 3.23Å; N615-E617 WeakPolarHBondContact OD1-CB 3.18Å; N615-E617 VanDerWaalsContact OD1-CG 3.26Å; N615-E617 WeakPolarHBondContact OD1-CG 3.49Å; N615-E617 PolarHBondContact OD1-N 2.89Å; N615-E617 PolarHBondContact OD1-OE2 3.25Å; N615-K618 PolarHBondContact O-N 2.84Å
616	P	69.3	Low	85.2	Confident	87 Å²	87	64.2 Å²	64.2	57%	0.565	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-19.2	-179.8	29.9	-36.8	0	0	0	114.7	R614 K618	R614-P616 WeakPolarHBondContact O-CD 3.03Å; P616-K618 VanDerWaalsContact C-N 3.29Å; P616-K618 PolarHBondContact O-N 2.61Å
617	E	73.4	Confident	85.2	Confident	161 Å²	161	64.1 Å²	64.1	75%	0.752	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-26.3	178.7	-56.4	168.3	145.3	0	0	112.3	N615 Q619	N615-E617 VanDerWaalsContact C-N 3.29Å; N615-E617 PolarHBondContact ND2-OE2 3.1Å; N615-E617 PolarHBondContact O-N 3.45Å; N615-E617 VanDerWaalsContact OD1-CB 3.23Å; N615-E617 WeakPolarHBondContact OD1-CB 3.18Å; N615-E617 VanDerWaalsContact OD1-CG 3.26Å; N615-E617 WeakPolarHBondContact OD1-CG 3.49Å; N615-E617 PolarHBondContact OD1-N 2.89Å; N615-E617 PolarHBondContact OD1-OE2 3.25Å; E617-Q619 PolarHBondContact O-N 2.74Å
618	K	83	Confident	85.4	Confident	142 Å²	142	62.7 Å²	62.7	62%	0.617	31%	0.313	S	S	*	.	S	Bend	trans	-87.4	85.7	-178.8	-71.7	-170.1	175.6	-177.5	0	110.8	P551 N615 P616	P551-K618 HydrophobicContact CB-CB 4.2Å; P551-K618 WeakPolarHBondContact CG-O 3.45Å; N615-K618 PolarHBondContact O-N 2.84Å; P616-K618 VanDerWaalsContact C-N 3.29Å; P616-K618 PolarHBondContact O-N 2.61Å
619	Q	87.1	Confident	85.6	Confident	99 Å²	99	62.7 Å²	62.7	46%	0.463	31%	0.313	S	S	.	.			trans	-64.6	147.6	174	-66.5	179.9	-0.9	0	0	112.9	E617	E617-Q619 PolarHBondContact O-N 2.74Å
620	G	92.8	Very high	86.1	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	157.7	168.4	0	0	0	0	0	113	S512 I513 H550	S512-G620 WeakPolarHBondContact CA-O 2.99Å; I513-G620 PolarHBondContact N-O 2.93Å; H550-G620 WeakPolarHBondContact CD2-CA 3.3Å
621	K	95.9	Very high	87.1	Confident	108 Å²	108	58.7 Å²	58.7	47%	0.47	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	123.1	172.6	-62.4	-175.9	179.6	-179	0	111.6	R511 I548 S549	R511-K621 CarbonylContact O-C 3.59Å; R511-K621 WeakPolarHBondContact O-CA 3.41Å; I548-K621 WeakPolarHBondContact CA-O 3.28Å; S549-K621 PolarHBondContact N-O 2.57Å; S549-K621 PolarHBondContact O-N 3.27Å
622	L	97.4	Very high	88.3	Confident	2 Å²	2	57.1 Å²	57.1	1%	0.01	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	119	159.8	178.1	64.5	0	0	0	107.1	P510 R511 L519 T521 I548 I606 E624 W625	P510-L622 CarbonylContact C-O 3.54Å; P510-L622 VanDerWaalsContact CA-O 3.25Å; P510-L622 WeakPolarHBondContact CA-O 3.07Å; R511-L622 PolarHBondContact N-O 2.85Å; R511-L622 PolarHBondContact O-N 2.98Å; L519-L622 HydrophobicContact CD2-CB 4.08Å; L519-L622 HydrophobicContact CD2-CD2 4.32Å; T521-L622 HydrophobicContact CG2-CD2 4.43Å; I548-L622 HydrophobicContact CD1-CD1 4.31Å; I548-L622 HydrophobicContact CG1-CD1 3.62Å; I606-L622 HydrophobicContact CD1-CB 4.34Å; I606-L622 HydrophobicContact CD1-CD1 3.99Å; I606-L622 HydrophobicContact CD1-CD2 4.01Å; I606-L622 HydrophobicContact CD1-CG 4.34Å; L622-E624 WeakPolarHBondContact CD1-O 3.25Å; L622-W625 HydrophobicContact CD1-CB 4.33Å
623	K	96.9	Very high	89.8	Confident	90 Å²	90	49.5 Å²	49.5	39%	0.391	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	-52.9	179.3	-57.1	174.2	-176.1	166	0	110.4	S547 S549	S547-K623 WeakPolarHBondContact O-CB 3.41Å; S547-K623 PolarHBondContact O-N 2.77Å; S549-K623 WeakPolarHBondContact OG-CE 3.24Å
624	E	96.6	Very high	91.2	Very high	53 Å²	53	51 Å²	51	25%	0.248	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	157.7	175.7	62	-176.4	153.9	0	0	110.4	D507 K508 S547 L622	D507-E624 CarbonylContact O-C 3.54Å; D507-E624 WeakPolarHBondContact O-CA 3.28Å; D507-E624 WeakPolarHBondContact O-CB 3.3Å; K508-E624 HydrophobicContact CB-CB 4.25Å; K508-E624 WeakPolarHBondContact CD-OE2 3.1Å; K508-E624 WeakPolarHBondContact CE-OE2 3.29Å; K508-E624 HydrophobicContact CG-CB 4.09Å; K508-E624 WeakPolarHBondContact CG-OE2 3.5Å; K508-E624 IonicContact NZ-OE2 3.97Å; S547-E624 PolarHBondContact N-O 3.18Å; S547-E624 PolarHBondContact O-N 3.34Å; L622-E624 WeakPolarHBondContact CD1-O 3.25Å
625	W	97.3	Very high	92.2	Very high	6 Å²	6	52.4 Å²	52.4	2%	0.023	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	162.5	166.3	72.6	-67.5	0	0	0	111.5	S506 D507 T521 A523 V544 R545 T546 L604 L622 L627	S506-W625 WeakPolarHBondContact CA-O 3.5Å; D507-W625 PolarHBondContact N-O 2.91Å; D507-W625 PolarHBondContact O-N 3.13Å; T521-W625 HydrophobicContact CG2-CD2 4.33Å; T521-W625 HydrophobicContact CG2-CZ2 3.77Å; T521-W625 PolarHBondContact OG1-NE1 2.7Å; A523-W625 HydrophobicContact CB-CH2 3.68Å; A523-W625 HydrophobicContact CB-CZ2 4.02Å; V544-W625 HydrophobicContact CG1-CE3 4.05Å; R545-W625 CarbonylContact O-C 3.57Å; R545-W625 WeakPolarHBondContact O-CA 3.01Å; R545-W625 WeakPolarHBondContact O-CB 3.39Å; T546-W625 HydrophobicContact CG2-CB 4.26Å; L604-W625 HydrophobicContact CB-CE3 4.37Å; L604-W625 HydrophobicContact CB-CH2 4.24Å; L604-W625 HydrophobicContact CB-CZ3 4.14Å; L604-W625 HydrophobicContact CD2-CB 4.11Å; L604-W625 HydrophobicContact CD2-CD2 3.6Å; L604-W625 HydrophobicContact CD2-CE3 3.66Å; L604-W625 HydrophobicContact CD2-CG 3.82Å; L604-W625 HydrophobicContact CD2-CZ3 4.27Å; L622-W625 HydrophobicContact CD1-CB 4.33Å; W625-L627 HydrophobicContact CZ3-CB 3.98Å
626	S	98.1	Very high	93	Very high	5 Å²	5	49.7 Å²	49.7	4%	0.035	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	141.7	171.9	-57.2	0	0	0	0	110.6	A505 S506 V544 R545	A505-S626 CarbonylContact O-C 3.55Å; A505-S626 WeakPolarHBondContact O-CA 3.34Å; A505-S626 WeakPolarHBondContact O-CB 3.23Å; S506-S626 WeakPolarHBondContact CB-OG 3.42Å; S506-S626 PolarHBondContact OG-OG 2.87Å; V544-S626 WeakPolarHBondContact CA-O 3.45Å; R545-S626 PolarHBondContact N-O 3.38Å; R545-S626 PolarHBondContact O-N 2.03Å
627	L	98.5	Very high	93.9	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	125.1	174.1	-178	66.1	0	0	0	108.5	V503 A504 A505 V542 V544 L560 W602 W625 L629	V503-L627 CarbonylContact C-O 3.55Å; A504-L627 HydrophobicContact CB-CD2 4.07Å; A504-L627 HydrophobicContact CB-CG 4.21Å; A504-L627 PolarHBondContact N-O 3.35Å; A505-L627 HydrophobicContact CB-CB 4.25Å; A505-L627 PolarHBondContact N-O 3.31Å; A505-L627 PolarHBondContact O-N 2.84Å; V542-L627 HydrophobicContact CG1-CD1 3.84Å; V544-L627 HydrophobicContact CG2-CD1 4.18Å; L560-L627 HydrophobicContact CD2-CD1 4.41Å; W602-L627 HydrophobicContact CB-CD2 3.79Å; W602-L627 HydrophobicContact CD2-CD1 4.4Å; W602-L627 HydrophobicContact CD2-CD2 3.83Å; W602-L627 HydrophobicContact CE3-CD1 4.4Å; W602-L627 HydrophobicContact CG-CD2 3.41Å; W602-L627 VanDerWaalsContact CG-CD2 3.41Å; W625-L627 HydrophobicContact CZ3-CB 3.98Å; L627-L629 HydrophobicContact CD1-CD2 3.9Å; L627-L629 HydrophobicContact CD2-CD2 4.13Å; L627-L629 HydrophobicContact CG-CD2 3.84Å; L627-L629 HydrophobicContact CG-CG 4.29Å
628	I	98.7	Very high	93.5	Very high	5 Å²	5	46 Å²	46	3%	0.026	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	123.2	178.2	-49.4	174.3	0	0	0	107.3	M501 C502 V543 Y630	M501-I628 HydrophobicContact CG-CG2 3.79Å; M501-I628 HydrophobicContact SD-CG2 4.29Å; C502-I628 WeakPolarHBondContact O-CA 3.27Å; V543-I628 HydrophobicContact CB-CB 4.24Å; V543-I628 HydrophobicContact CG1-CD1 4.49Å; V543-I628 PolarHBondContact N-O 2.96Å; V543-I628 PolarHBondContact O-N 2.82Å; I628-Y630 HydrophobicContact CB-CE2 4.4Å; I628-Y630 HydrophobicContact CG2-CD2 4.33Å; I628-Y630 HydrophobicContact CG2-CE2 3.62Å
629	L	98.8	Very high	91.8	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	127.1	-177.8	-52.7	-180	0	0	0	108.3	M501 C502 A504 T525 A527 L539 V542 A598 W602 L627	M501-L629 WeakPolarHBondContact CA-O 3.36Å; C502-L629 HydrophobicContact CB-CB 4.41Å; C502-L629 PolarHBondContact N-O 2.93Å; C502-L629 PolarHBondContact O-N 2.85Å; A504-L629 HydrophobicContact CB-CD1 3.56Å; A504-L629 HydrophobicContact CB-CG 3.75Å; T525-L629 HydrophobicContact CG2-CD1 4.42Å; A527-L629 HydrophobicContact CB-CD1 4.12Å; L539-L629 HydrophobicContact CD2-CB 3.97Å; L539-L629 HydrophobicContact CD2-CD1 4.43Å; L539-L629 HydrophobicContact CD2-CD2 4.14Å; L539-L629 HydrophobicContact CD2-CG 4.4Å; V542-L629 HydrophobicContact CB-CD2 4.41Å; V542-L629 HydrophobicContact CG1-CD2 3.83Å; V542-L629 HydrophobicContact CG2-CD2 3.97Å; A598-L629 HydrophobicContact CB-CD1 3.99Å; W602-L629 HydrophobicContact CH2-CD2 4.42Å; W602-L629 HydrophobicContact CZ2-CD2 3.93Å; L627-L629 HydrophobicContact CD1-CD2 3.9Å; L627-L629 HydrophobicContact CD2-CD2 4.13Å; L627-L629 HydrophobicContact CG-CD2 3.84Å; L627-L629 HydrophobicContact CG-CG 4.29Å
630	Y	98.8	Very high	89.4	Confident	29 Å²	29	49.9 Å²	49.9	11%	0.114	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	146.2	171	-63.8	-92.2	0	0	0	109.3	I364 H500 M501 E540 H541 V543 I628	I364-Y630 HydrophobicContact CD1-CD1 3.83Å; I364-Y630 HydrophobicContact CD1-CD2 4.22Å; I364-Y630 HydrophobicContact CD1-CE1 3.61Å; I364-Y630 HydrophobicContact CD1-CE2 4.03Å; I364-Y630 HydrophobicContact CD1-CG 4.13Å; H500-Y630 WeakPolarHBondContact O-CA 3.47Å; M501-Y630 HydrophobicContact CB-CD1 4Å; M501-Y630 HydrophobicContact CB-CE1 3.85Å; M501-Y630 HydrophobicContact CG-CD1 4.03Å; M501-Y630 HydrophobicContact CG-CE1 3.52Å; M501-Y630 HydrophobicContact SD-CE1 3.81Å; E540-Y630 PolarHBondContact N-O 3.45Å; H541-Y630 HydrophobicContact CB-CD2 4.21Å; H541-Y630 PolarHBondContact O-N 2.88Å; V543-Y630 HydrophobicContact CB-CE2 4.32Å; V543-Y630 HydrophobicContact CG2-CD2 4.37Å; V543-Y630 HydrophobicContact CG2-CE2 3.94Å; I628-Y630 HydrophobicContact CB-CE2 4.4Å; I628-Y630 HydrophobicContact CG2-CD2 4.33Å; I628-Y630 HydrophobicContact CG2-CE2 3.62Å
631	G	98.3	Very high	86.8	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.6	-149	179.2	0	0	0	0	0	113.6	Q499 H500 Y538 E540	Q499-G631 WeakPolarHBondContact CA-O 3.46Å; H500-G631 PolarHBondContact N-O 2.67Å; H500-G631 PolarHBondContact O-N 2.87Å; H500-G631 VanDerWaalsContact O-N 3.17Å; Y538-G631 CarbonylContact O-C 3.44Å; Y538-G631 VanDerWaalsContact O-CA 3.26Å; Y538-G631 WeakPolarHBondContact O-CA 3.43Å; E540-G631 WeakPolarHBondContact OE1-CA 3.48Å
632	T	98	Very high	83.9	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.006	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	145.8	-172.2	39.4	0	0	0	0	112.4	R443 P497 V537 Y538 E634	R443-T632 VanDerWaalsContact NH2-CG2 3.28Å; P497-T632 HydrophobicContact CB-CG2 3.77Å; P497-T632 HydrophobicContact CG-CG2 4.21Å; P497-T632 WeakPolarHBondContact O-CG2 3.08Å; V537-T632 PolarHBondContact N-O 3.27Å; Y538-T632 PolarHBondContact N-O 2.98Å; Y538-T632 PolarHBondContact O-N 3.31Å; T632-E634 WeakPolarHBondContact CB-O 3.26Å; T632-E634 PolarHBondContact OG1-O 3.14Å
633	A	96.3	Very high	80.8	Confident	35 Å²	35	63 Å²	63	29%	0.289	33%	0.327	S	S	.	.	S	Bend	trans	-76.7	-29.6	174	0	0	0	0	0	112.8	V537	V537-A633 WeakPolarHBondContact CB-O 3.39Å; V537-A633 WeakPolarHBondContact CG2-O 3.38Å
634	E	94.3	Very high	77.7	Confident	133 Å²	133	67.6 Å²	67.6	62%	0.621	35%	0.35	S	S	*	.	S	Bend	trans	-103.9	159.8	176.4	-65.7	-179.5	-157.8	0	0	110.7	P497 Y538 T632	P497-E634 HydrophobicContact CG-CB 4.1Å; Y538-E634 WeakPolarHBondContact CD2-O 3.38Å; T632-E634 WeakPolarHBondContact CB-O 3.26Å; T632-E634 PolarHBondContact OG1-O 3.14Å
635	H	93.6	Very high	74.5	Confident	77 Å²	77	70.9 Å²	70.9	36%	0.356	38%	0.379	S	S	.	.			trans	-68.5	122.5	-179.7	-173.9	-93.7	0	0	0	110.4	Y538 Y637	Y538-H635 AromaticContact CD1-CD2 3.98Å; Y538-H635 HydrophobicContact CD2-CB 4.3Å; Y538-H635 AromaticContact CE1-CD2 3.54Å; Y538-H635 HydrophobicContact CE2-CB 3.79Å; Y538-H635 AromaticContact CZ-CD2 3.69Å; H635-Y637 PolarHBondContact CE1-O 2.98Å; H635-Y637 PolarHBondContact ND1-N 3.07Å; H635-Y637 PolarHBondContact ND1-O 3.09Å; H635-Y637 PolarHBondContact O-N 2.58Å
636	P	89.5	Confident	71.5	Confident	11 Å²	11	82.7 Å²	82.7	7%	0.071	42%	0.424	C	S	.	.	S	Bend	trans	-69.2	-10.1	-167.5	26.2	-35.6	0	0	0	114.6	V496	V496-P636 HydrophobicContact CB-CB 4.29Å; V496-P636 HydrophobicContact CG1-CB 4.01Å
637	Y	88.1	Confident	68.3	Low	46 Å²	46	87.7 Å²	87.7	18%	0.18	46%	0.459	C	S	.	.	S	Bend	trans	-118.3	119.8	174.9	-44.4	-46.2	0	0	0	109.9	H447 W493 H635 T639	H447-Y637 HydrophobicContact CB-CE1 4.31Å; H447-Y637 AromaticContact ND1-CE1 3.61Å; H447-Y637 AromaticContact ND1-CZ 3.65Å; H447-Y637 PolarHBondContact ND1-OH 2.92Å; W493-Y637 AromaticContact CH2-CD1 3.88Å; W493-Y637 HydrophobicContact CH2-CD1 3.88Å; W493-Y637 AromaticContact CH2-CE1 3.5Å; W493-Y637 HydrophobicContact CH2-CE1 3.5Å; W493-Y637 HydrophobicContact CZ2-CD1 4.3Å; W493-Y637 AromaticContact CZ2-CE1 3.95Å; W493-Y637 HydrophobicContact CZ2-CE1 3.95Å; W493-Y637 HydrophobicContact CZ3-CE1 4.49Å; H635-Y637 PolarHBondContact CE1-O 2.98Å; H635-Y637 PolarHBondContact ND1-N 3.07Å; H635-Y637 PolarHBondContact ND1-O 3.09Å; H635-Y637 PolarHBondContact O-N 2.58Å; Y637-T639 PolarHBondContact O-N 3.27Å
638	H	66.3	Low	65	Low	124 Å²	124	99.5 Å²	99.5	57%	0.574	50%	0.503	S	S	*	.			trans	-66.2	100.6	178.7	-64.2	-58.1	0	0	0	112	F640	H638-F640 PolarHBondContact O-N 3.01Å
639	T	46.1	Very low	61.7	Low	110 Å²	110	107.6 Å²	107.6	68%	0.675	54%	0.543	S	S	*	.			trans	-75.7	98.9	162.8	34.9	0	0	0	0	109.2	Y637 S641	Y637-T639 PolarHBondContact O-N 3.27Å; T639-S641 PolarHBondContact O-N 2.94Å
640	F	36.5	Very low	58.3	Low	212 Å²	212	114.4 Å²	114.4	93%	0.93	58%	0.579	S	S	*	*			trans	-57.2	108.4	163.3	-89.4	-83.3	0	0	0	109.1	H638	H638-F640 PolarHBondContact O-N 3.01Å
641	S	38.5	Very low	54.9	Low	107 Å²	107	120.6 Å²	120.6	75%	0.748	61%	0.609	S	S	*	*			trans	-152.5	154	176.4	-163.9	0	0	0	0	111.8	T639	T639-S641 PolarHBondContact O-N 2.94Å
642	A	35.2	Very low	51.4	Low	81 Å²	81	128 Å²	128	67%	0.669	65%	0.647	S	S	*	*	S	Bend	trans	62.8	55.7	169.7	0	0	0	0	0	118.4
643	H	32.6	Very low	47.8	Very low	198 Å²	198	133.1 Å²	133.1	92%	0.917	68%	0.683	S	S	*	*	S	Bend	trans	-144.4	34.5	150.8	-100.9	-52.4	0	0	0	116.3
644	Q	32.3	Very low	44.3	Very low	186 Å²	186	136.1 Å²	136.1	87%	0.869	71%	0.708	S	S	*	*	S	Bend	trans	-144	154	155.8	-110.8	172.9	12.4	0	0	111
645	S	29.4	Very low	41.3	Very low	123 Å²	123	135.9 Å²	135.9	86%	0.86	72%	0.719	S	S	*	*			trans	59.9	55.1	175.2	-60.1	0	0	0	0	118
646	R	33	Very low	38.1	Very low	253 Å²	253	140.4 Å²	140.4	96%	0.955	74%	0.74	S	S	*	*			trans	-93.9	93.3	136.8	-106.5	-169.2	175.5	-174.6	-0.2	108.9
647	S	30.7	Very low	35	Very low	111 Å²	111	148.2 Å²	148.2	78%	0.776	78%	0.78	S	S	*	*			trans	-159.5	123.1	163.7	-89.1	0	0	0	0	112.3
648	R	29.7	Very low	32	Very low	247 Å²	247	154.3 Å²	154.3	93%	0.932	81%	0.81	S	S	*	*			trans	62.9	91.6	162.1	-57.9	-170.9	-179.1	-168	-1.3	117.4
649	M	30.3	Very low	31.2	Very low	175 Å²	175	153 Å²	153	86%	0.862	81%	0.812	S	S	*	*			trans	-62.4	171.5	147.1	179.7	176.4	70.1	0	0	111.3
650	L	27.4	Very low	30.6	Very low	144 Å²	144	154 Å²	154	75%	0.754	82%	0.821	S	S	*	*			trans	92.4	126.2	-167.8	-54.6	162.4	0	0	0	111.4
651	E	26.1	Very low	30.2	Very low	159 Å²	159	153.7 Å²	153.7	74%	0.743	82%	0.819	S	S	*	*			cis	-152.9	163	2.6	-116.8	167.8	173.8	0	0	112.5
652	L	25.4	Very low	29.7	Very low	154 Å²	154	153.1 Å²	153.1	81%	0.806	82%	0.821	S	S	*	*			trans	7.7	148	149.7	-63.3	164.3	0	0	0	120.3
653	S	23	Very low	29.4	Very low	109 Å²	109	153.5 Å²	153.5	76%	0.762	82%	0.824	S	S	*	*			cis	-175	149.5	-0.2	46.6	0	0	0	0	112.5
654	A	23	Very low	29.2	Very low	98 Å²	98	152.6 Å²	152.6	81%	0.81	83%	0.825	S	S	*	*			trans	-155.4	151.6	157.5	0	0	0	0	0	110.1
655	P	29.8	Very low	29.2	Very low	129 Å²	129	148.8 Å²	148.8	84%	0.838	82%	0.819	S	S	*	*			trans	-95.8	176	-159.2	37.6	-38	0	0	0	117
656	E	26.1	Very low	29.4	Very low	172 Å²	172	148.4 Å²	148.4	80%	0.804	81%	0.814	S	S	*	*			trans	-79.5	163.8	-168.7	-54.2	144.5	106.8	0	0	115.5
657	L	26.4	Very low	29.1	Very low	174 Å²	174	141.1 Å²	141.1	91%	0.911	80%	0.802	S	S	*	*				-155.5	136.5	111.5	-134.2	72.1	0	0	0	111.8
658	E	23.2	Very low	29.5	Very low	174 Å²	174	144.3 Å²	144.3	81%	0.813	80%	0.804	S	S	*	*			trans	-101.8	166.4	-178.2	-93.7	-86.3	114.2	0	0	112.4
659	P	50.6	Low	29.4	Very low	96 Å²	96	139.6 Å²	139.6	62%	0.623	80%	0.803	S	S	*	*			trans	-93.1	179	-178.9	39.3	-35	0	0	0	113
660	P	34.3	Very low	29.4	Very low	131 Å²	131	139 Å²	139	85%	0.851	80%	0.798	S	S	*	*			trans	-137.9	176.1	144.1	35.5	-20.6	0	0	0	115.1
661	K	27.6	Very low	29.5	Very low	206 Å²	206	138.7 Å²	138.7	90%	0.896	80%	0.801	S	S	*	*			trans	-109.2	167.8	179.5	-61.5	172.8	179.4	170.7	0	112
662	A	28	Very low	30.3	Very low	95 Å²	95	136.5 Å²	136.5	79%	0.785	80%	0.801	S	S	*	*			trans	95.3	108.2	137.3	0	0	0	0	0	121.2
663	A	28.2	Very low	31.3	Very low	90 Å²	90	138.1 Å²	138.1	74%	0.744	80%	0.804	S	S	*	*				89.8	149.6	114.3	0	0	0	0	0	122.7
664	L	27.7	Very low	31.9	Very low	178 Å²	178	140.7 Å²	140.7	93%	0.932	81%	0.81	S	S	*	*			trans	79.3	153.2	165.2	-68.2	159.2	0	0	0	118.4
665	S	33.6	Very low	33.2	Very low	107 Å²	107	145.3 Å²	145.3	75%	0.748	82%	0.815	S	S	*	*			trans	-120.6	176.8	-165	56.7	0	0	0	0	112.4
666	P	34.1	Very low	34.2	Very low	114 Å²	114	149 Å²	149	74%	0.74	82%	0.82	S	S	*	*				-151.8	165.5	108.1	40.3	-24	0	0	0	117.9
667	S	26.5	Very low	35.8	Very low	101 Å²	101	147.7 Å²	147.7	71%	0.706	82%	0.819	S	S	*	*			trans	52.2	113.1	145.1	59.9	0	0	0	0	124
668	Q	38.5	Very low	37.9	Very low	177 Å²	177	143.8 Å²	143.8	83%	0.827	79%	0.793	S	S	*	*			trans	8.5	131.1	139.8	-59.6	172	-83.8	0	0	122
669	V	27.8	Very low	39.9	Very low	149 Å²	149	142.6 Å²	142.6	90%	0.903	80%	0.798	S	S	*	*			trans	-142.8	160.4	138.3	-176.4	0	0	0	0	107.6
670	E	29.3	Very low	41	Very low	163 Å²	163	139.5 Å²	139.5	76%	0.762	78%	0.783	S	S	*	*			trans	-116.5	153.6	-169.6	-58.2	-179.7	131.8	0	0	114.4
671	V	31.1	Very low	43.3	Very low	136 Å²	136	139.3 Å²	139.3	82%	0.824	78%	0.78	S	S	*	*			trans	69.5	152.5	153.5	166.3	0	0	0	0	117
672	P	42.3	Very low	46	Very low	114 Å²	114	131.6 Å²	131.6	74%	0.74	75%	0.751	S	S	*	*			cis	-117.5	-173.4	3.1	25.4	-2.2	0	0	0	115.6
673	E	46.3	Very low	48.7	Very low	187 Å²	187	130.2 Å²	130.2	87%	0.874	73%	0.728	S	S	*	*			trans	-78.4	150.6	165.4	-57.7	160.2	129.2	0	0	111.5
674	D	36.1	Very low	51.5	Low	164 Å²	164	131.6 Å²	131.6	88%	0.877	73%	0.73	S	S	*	*			trans	-153.4	142.4	156.5	-100.2	-43.2	0	0	0	108.6
675	E	49.6	Very low	54.4	Low	195 Å²	195	124.5 Å²	124.5	91%	0.911	69%	0.692	S	S	*	*			trans	-93.1	115	-176.9	-65.6	-173.4	124.2	0	0	111.9	D677	E675-D677 PolarHBondContact O-N 2.03Å; E675-D677 VanDerWaalsContact O-N 3.15Å
676	E	51	Low	57	Low	205 Å²	205	120.2 Å²	120.2	96%	0.958	66%	0.661	S	S	*	*			trans	-78.7	92.4	169.1	-76	-162.2	140.1	0	0	111.1
677	D	58.8	Low	59.3	Low	145 Å²	145	115.6 Å²	115.6	78%	0.775	63%	0.634	S	S	*	*			trans	-65.4	134.8	179.7	-149.2	-2.6	0	0	0	112.2	E675 T679	E675-D677 PolarHBondContact O-N 2.03Å; E675-D677 VanDerWaalsContact O-N 3.15Å; D677-T679 PolarHBondContact O-N 2.04Å; D677-T679 VanDerWaalsContact O-N 3.08Å
678	Y	70.6	Confident	62	Low	93 Å²	93	117.6 Å²	117.6	37%	0.365	64%	0.637	S	S	.	*			trans	-75.8	102.7	-171.2	174.4	-101.3	0	0	0	112.2	G680 G693 P694	Y678-G680 VanDerWaalsContact C-N 3.26Å; Y678-G680 VanDerWaalsContact CE1-C 3.44Å; Y678-G680 VanDerWaalsContact CE1-CA 3.42Å; Y678-G680 WeakPolarHBondContact CE1-O 3.34Å; Y678-G680 VanDerWaalsContact CZ-CA 3.44Å; Y678-G680 PolarHBondContact O-N 2.92Å; Y678-G693 VanDerWaalsContact CE1-CA 3.44Å; Y678-P694 WeakPolarHBondContact OH-CD 3.07Å
679	T	66	Low	64.1	Low	148 Å²	148	116 Å²	116	91%	0.908	63%	0.627	S	S	*	*			trans	-80.2	11.5	-176.3	50.9	0	0	0	0	115.7	D677	D677-T679 PolarHBondContact O-N 2.04Å; D677-T679 VanDerWaalsContact O-N 3.08Å
680	G	74.4	Confident	66.6	Low	31 Å²	31	110.1 Å²	110.1	32%	0.32	60%	0.597	S	S	.	*	S	Bend	trans	-93.1	173.4	-179.5	0	0	0	0	0	114.8	Y678 C682	Y678-G680 VanDerWaalsContact C-N 3.26Å; Y678-G680 VanDerWaalsContact CE1-C 3.44Å; Y678-G680 VanDerWaalsContact CE1-CA 3.42Å; Y678-G680 WeakPolarHBondContact CE1-O 3.34Å; Y678-G680 VanDerWaalsContact CZ-CA 3.44Å; Y678-G680 PolarHBondContact O-N 2.92Å; G680-C682 PolarHBondContact O-N 3.06Å
681	V	81.4	Confident	69.2	Low	128 Å²	128	102.7 Å²	102.7	78%	0.776	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-78	121	-178.7	-177	0	0	0	0	110.9
682	C	84.9	Confident	71.8	Confident	43 Å²	43	100.8 Å²	100.8	29%	0.291	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-68.8	156.3	176.8	-63.9	0	0	0	0	114.1	G680 C686 C691	G680-C682 PolarHBondContact O-N 3.06Å; C682-C686 HydrophobicContact CB-CB 4.07Å; C682-C691 WeakPolarHBondContact CA-SG 3.34Å; C682-C691 HydrophobicContact CB-CB 3.82Å; C682-C691 WeakPolarHBondContact CB-SG 3.26Å; C682-C691 WeakPolarHBondContact SG-CB 3.49Å; C682-C691 PolarHBondContact SG-N 2.93Å; C682-C691 VanDerWaalsContact SG-N 3.41Å; C682-C691 CovalentContact SG-SG 2.03Å; C682-C691 PolarHBondContact SG-SG 2.91Å
683	H	85.4	Confident	73.7	Confident	67 Å²	67	95.4 Å²	95.4	31%	0.31	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-61.2	141.2	172.1	-166.9	-91.3	0	0	0	111.2	E685 C686 P694 A696	H683-E685 WeakPolarHBondContact ND1-CB 3.48Å; H683-E685 PolarHBondContact ND1-N 2.81Å; H683-E685 PolarHBondContact O-N 3.03Å; H683-C686 VanDerWaalsContact O-CB 3.27Å; H683-C686 WeakPolarHBondContact O-CB 3.34Å; H683-C686 PolarHBondContact O-N 3.41Å; H683-C686 PolarHBondContact O-SG 2.79Å; H683-P694 WeakPolarHBondContact CB-O 3.41Å; H683-A696 HydrophobicContact CB-CB 4.42Å
684	P	86.7	Confident	75.4	Confident	119 Å²	119	89.5 Å²	89.5	77%	0.773	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-4.1	-179.3	-26.6	35.8	0	0	0	117.3
685	E	88.3	Confident	77.6	Confident	29 Å²	29	85.8 Å²	85.8	14%	0.136	47%	0.471	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-8.6	174.9	-66.4	-81.4	-178.5	0	0	112.2	H683 C702 V703 H704 C716 S718	H683-E685 WeakPolarHBondContact ND1-CB 3.48Å; H683-E685 PolarHBondContact ND1-N 2.81Å; H683-E685 PolarHBondContact O-N 3.03Å; E685-C702 WeakPolarHBondContact O-CA 3.37Å; E685-V703 PolarHBondContact O-N 2.98Å; E685-H704 IonicContact OE2-CD2 2.67Å; E685-C716 HydrophobicContact CB-CB 3.78Å; E685-S718 VanDerWaalsContact CD-N 3.33Å; E685-S718 WeakPolarHBondContact OE1-CB 3.32Å; E685-S718 PolarHBondContact OE1-N 2.75Å; E685-S718 PolarHBondContact OE1-OG 3.42Å; E685-S718 PolarHBondContact OE2-N 2.88Å; E685-S718 VanDerWaalsContact OE2-N 3.09Å
686	C	87.3	Confident	79.2	Confident	16 Å²	16	76.8 Å²	76.8	11%	0.108	43%	0.431	C	S	.	.	B	Isolated β-bridge	trans	-71.5	138.4	172.7	-55.1	0	0	0	0	109.6	C682 H683 C699 N701 V703	C682-C686 HydrophobicContact CB-CB 4.07Å; H683-C686 VanDerWaalsContact O-CB 3.27Å; H683-C686 WeakPolarHBondContact O-CB 3.34Å; H683-C686 PolarHBondContact O-N 3.41Å; H683-C686 PolarHBondContact O-SG 2.79Å; C686-C699 WeakPolarHBondContact CA-SG 3.4Å; C686-C699 HydrophobicContact CB-CB 3.59Å; C686-C699 WeakPolarHBondContact CB-SG 3.48Å; C686-C699 PolarHBondContact N-SG 3.48Å; C686-C699 VanDerWaalsContact N-SG 3.41Å; C686-C699 WeakPolarHBondContact SG-CA 3.05Å; C686-C699 WeakPolarHBondContact SG-CB 3.4Å; C686-C699 CovalentContact SG-SG 2.03Å; C686-C699 PolarHBondContact SG-SG 2.98Å; C686-N701 WeakPolarHBondContact CA-O 3.03Å; C686-V703 WeakPolarHBondContact O-CG2 3.19Å
687	G	82.8	Confident	80.8	Confident	17 Å²	17	70.5 Å²	70.5	18%	0.175	40%	0.404	C	S	.	.			trans	-86.2	-164.4	179.4	0	0	0	0	0	114	K689 G690 N701	G687-K689 PolarHBondContact O-N 2.84Å; G687-G690 PolarHBondContact O-N 3.12Å; G687-N701 WeakPolarHBondContact CA-OD1 2.99Å; G687-N701 PolarHBondContact N-O 3.03Å; G687-N701 PolarHBondContact N-OD1 3.49Å
688	D	83.4	Confident	82.1	Confident	143 Å²	143	66.6 Å²	66.6	77%	0.765	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-6.1	179.1	58.7	-52.4	0	0	0	115.7	N701	D688-N701 PolarHBondContact N-OD1 2.91Å; D688-N701 PolarHBondContact OD1-ND2 2.64Å
689	K	82.6	Confident	82.8	Confident	144 Å²	144	62.2 Å²	62.2	63%	0.626	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.7	7.1	179.3	-60.3	-163.2	171.8	-150.9	0	115	G687 L700 N701	G687-K689 PolarHBondContact O-N 2.84Å; K689-L700 HydrophobicContact CB-CB 4.19Å; K689-L700 WeakPolarHBondContact O-CB 3.36Å; K689-L700 VanDerWaalsContact O-CD1 3.26Å; K689-L700 WeakPolarHBondContact O-CD1 3.07Å; K689-N701 HydrophobicContact CB-CB 4.41Å; K689-N701 WeakPolarHBondContact CB-OD1 3.42Å; K689-N701 PolarHBondContact N-OD1 2.98Å; K689-N701 VanDerWaalsContact N-OD1 3.14Å
690	G	80.1	Confident	83.6	Confident	26 Å²	26	58.7 Å²	58.7	27%	0.268	34%	0.339	S	S	.	.			trans	76	-156.3	176.2	0	0	0	0	0	114.5	G687 L700	G687-G690 PolarHBondContact O-N 3.12Å; G690-L700 PolarHBondContact O-N 2.81Å
691	C	84.5	Confident	84.2	Confident	7 Å²	7	58.8 Å²	58.8	5%	0.047	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-160.4	153.9	-170.4	65	0	0	0	0	112.8	C682 G693 Q698	C682-C691 WeakPolarHBondContact CA-SG 3.34Å; C682-C691 HydrophobicContact CB-CB 3.82Å; C682-C691 WeakPolarHBondContact CB-SG 3.26Å; C682-C691 WeakPolarHBondContact SG-CB 3.49Å; C682-C691 PolarHBondContact SG-N 2.93Å; C682-C691 VanDerWaalsContact SG-N 3.41Å; C682-C691 CovalentContact SG-SG 2.03Å; C682-C691 PolarHBondContact SG-SG 2.91Å; C691-G693 WeakPolarHBondContact CB-O 3.4Å; C691-G693 PolarHBondContact O-N 3.07Å; C691-G693 PolarHBondContact SG-O 3.41Å; C691-Q698 CarbonylContact C-O 3.41Å; C691-Q698 VanDerWaalsContact CA-O 3.25Å; C691-Q698 WeakPolarHBondContact CA-O 3.44Å; C691-Q698 WeakPolarHBondContact CB-O 3.27Å
692	D	85.4	Confident	84.5	Confident	96 Å²	96	53.4 Å²	53.4	51%	0.513	30%	0.3	S	S	.	.	S	Bend	trans	-90.3	19.6	174.7	-37.6	-45.1	0	0	0	111.3	Q698 L700	D692-Q698 PolarHBondContact N-O 3.4Å; D692-Q698 PolarHBondContact O-NE2 3.37Å; D692-L700 VanDerWaalsContact OD1-CD2 3.29Å; D692-L700 WeakPolarHBondContact OD1-CD2 3.03Å; D692-L700 WeakPolarHBondContact OD1-CG 3.47Å
693	G	82.6	Confident	84.6	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.01	30%	0.304	C	S	.	.	S	Bend	trans	150.6	173.3	-174.2	0	0	0	0	0	115	Y678 C691 N695	Y678-G693 VanDerWaalsContact CE1-CA 3.44Å; C691-G693 WeakPolarHBondContact CB-O 3.4Å; C691-G693 PolarHBondContact O-N 3.07Å; C691-G693 PolarHBondContact SG-O 3.41Å; G693-N695 VanDerWaalsContact C-N 3.3Å; G693-N695 PolarHBondContact O-N 3.11Å
694	P	82.3	Confident	84.8	Confident	62 Å²	62	55.6 Å²	55.6	40%	0.403	31%	0.31	S	S	.	.	S	Bend	trans	-81.7	-2	-164.7	33.4	-35.5	0	0	0	114.6	Y678 H683	Y678-P694 WeakPolarHBondContact OH-CD 3.07Å; H683-P694 WeakPolarHBondContact CB-O 3.41Å
695	N	82.3	Confident	84.9	Confident	86 Å²	86	51.6 Å²	51.6	46%	0.46	28%	0.281	S	S	.	.	S	Bend	trans	-96.8	151.9	-175.1	-61.1	-77.6	0	0	0	112.7	G693 D697 Q698	G693-N695 VanDerWaalsContact C-N 3.3Å; G693-N695 PolarHBondContact O-N 3.11Å; N695-D697 WeakPolarHBondContact CB-OD1 3.46Å; N695-D697 PolarHBondContact O-N 2.69Å; N695-Q698 HydrophobicContact CB-CG 4.35Å; N695-Q698 PolarHBondContact ND2-OE1 2.78Å; N695-Q698 PolarHBondContact O-N 2.91Å
696	A	82.8	Confident	84.9	Confident	7 Å²	7	51.3 Å²	51.3	6%	0.058	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-10.6	-177.1	0	0	0	0	0	115.4	H683 K715 C716	H683-A696 HydrophobicContact CB-CB 4.42Å; A696-K715 HydrophobicContact CB-CG 4.23Å; A696-C716 PolarHBondContact O-N 2.84Å
697	D	85	Confident	84.9	Confident	73 Å²	73	52.6 Å²	52.6	39%	0.39	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-3.2	174.3	48.6	-37.5	0	0	0	114.2	N695 R714 K715	N695-D697 WeakPolarHBondContact CB-OD1 3.46Å; N695-D697 PolarHBondContact O-N 2.69Å; D697-R714 VanDerWaalsContact CA-O 3.27Å; D697-R714 WeakPolarHBondContact CA-O 3.43Å; D697-K715 HydrophobicContact CB-CB 4.12Å; D697-K715 HydrophobicContact CB-CD 4.44Å; D697-K715 HydrophobicContact CB-CG 4.21Å
698	Q	85.1	Confident	84.6	Confident	62 Å²	62	53.2 Å²	53.2	29%	0.29	29%	0.294	S	S	.	.	S	Bend	trans	-100.6	3.2	172	-61	178.2	-85.9	0	0	112.5	C691 D692 N695	C691-Q698 CarbonylContact C-O 3.41Å; C691-Q698 VanDerWaalsContact CA-O 3.25Å; C691-Q698 WeakPolarHBondContact CA-O 3.44Å; C691-Q698 WeakPolarHBondContact CB-O 3.27Å; D692-Q698 PolarHBondContact N-O 3.4Å; D692-Q698 PolarHBondContact O-NE2 3.37Å; N695-Q698 HydrophobicContact CB-CG 4.35Å; N695-Q698 PolarHBondContact ND2-OE1 2.78Å; N695-Q698 PolarHBondContact O-N 2.91Å
699	C	85.1	Confident	83.9	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.007	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-68.2	134.3	176.7	-58.2	0	0	0	0	112.3	C686 N701 R714 C716	C686-C699 WeakPolarHBondContact CA-SG 3.4Å; C686-C699 HydrophobicContact CB-CB 3.59Å; C686-C699 WeakPolarHBondContact CB-SG 3.48Å; C686-C699 PolarHBondContact N-SG 3.48Å; C686-C699 VanDerWaalsContact N-SG 3.41Å; C686-C699 WeakPolarHBondContact SG-CA 3.05Å; C686-C699 WeakPolarHBondContact SG-CB 3.4Å; C686-C699 CovalentContact SG-SG 2.03Å; C686-C699 PolarHBondContact SG-SG 2.98Å; C699-N701 WeakPolarHBondContact CB-O 3.01Å; C699-R714 VanDerWaalsContact O-CZ 3.28Å; C699-R714 PolarHBondContact O-NE 2.86Å; C699-R714 PolarHBondContact O-NH2 2.85Å; C699-C716 WeakPolarHBondContact CB-SG 3.37Å
700	L	83.9	Confident	83	Confident	74 Å²	74	47.4 Å²	47.4	39%	0.387	28%	0.277	S	S	.	.	S	Bend	trans	-74.6	-28.7	177.3	-74.9	172.1	0	0	0	113	K689 G690 D692 R714	K689-L700 HydrophobicContact CB-CB 4.19Å; K689-L700 WeakPolarHBondContact O-CB 3.36Å; K689-L700 VanDerWaalsContact O-CD1 3.26Å; K689-L700 WeakPolarHBondContact O-CD1 3.07Å; G690-L700 PolarHBondContact O-N 2.81Å; D692-L700 VanDerWaalsContact OD1-CD2 3.29Å; D692-L700 WeakPolarHBondContact OD1-CD2 3.03Å; D692-L700 WeakPolarHBondContact OD1-CG 3.47Å; L700-R714 VanDerWaalsContact O-CZ 3.23Å; L700-R714 PolarHBondContact O-NH1 2.03Å; L700-R714 PolarHBondContact O-NH2 3.06Å
701	N	86.6	Confident	82	Confident	33 Å²	33	55.9 Å²	55.9	18%	0.176	31%	0.307	C	S	.	.	S	Bend	trans	-145.2	170.9	161.8	71.3	-22.8	0	0	0	111.6	C686 G687 D688 K689 C699	C686-N701 WeakPolarHBondContact CA-O 3.03Å; G687-N701 WeakPolarHBondContact CA-OD1 2.99Å; G687-N701 PolarHBondContact N-O 3.03Å; G687-N701 PolarHBondContact N-OD1 3.49Å; D688-N701 PolarHBondContact N-OD1 2.91Å; D688-N701 PolarHBondContact OD1-ND2 2.64Å; K689-N701 HydrophobicContact CB-CB 4.41Å; K689-N701 WeakPolarHBondContact CB-OD1 3.42Å; K689-N701 PolarHBondContact N-OD1 2.98Å; K689-N701 VanDerWaalsContact N-OD1 3.14Å; C699-N701 WeakPolarHBondContact CB-O 3.01Å
702	C	88.1	Confident	80.9	Confident	15 Å²	15	60.3 Å²	60.3	10%	0.101	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-113.1	142	-177.5	-52.4	0	0	0	0	111.7	E685 C716	E685-C702 WeakPolarHBondContact O-CA 3.37Å; C702-C716 WeakPolarHBondContact CA-SG 3.36Å; C702-C716 HydrophobicContact CB-CB 3.58Å; C702-C716 WeakPolarHBondContact CB-SG 3.2Å; C702-C716 WeakPolarHBondContact SG-CA 3.5Å; C702-C716 WeakPolarHBondContact SG-CB 3.31Å; C702-C716 CovalentContact SG-SG 2.03Å; C702-C716 PolarHBondContact SG-SG 3.11Å
703	V	87.3	Confident	80.1	Confident	64 Å²	64	59.3 Å²	59.3	39%	0.388	33%	0.334	S	S	.	.	S	Bend	trans	-63.5	-51.9	172.7	178.7	0	0	0	0	111	E685 C686	E685-V703 PolarHBondContact O-N 2.98Å; C686-V703 WeakPolarHBondContact O-CG2 3.19Å
704	H	88	Confident	80.1	Confident	92 Å²	92	62.3 Å²	62.3	43%	0.426	35%	0.345	S	S	.	.	S	Bend	trans	-102.8	-82.4	-172.7	-68.1	-70.5	0	0	0	113	E685 V717	E685-H704 IonicContact OE2-CD2 2.67Å; H704-V717 WeakPolarHBondContact CB-O 3.49Å
705	F	90.4	Very high	80.4	Confident	36 Å²	36	64 Å²	64	16%	0.158	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	140.3	-178	-56.4	-82.7	0	0	0	112.6	V717 S718 T728 R731	F705-V717 HydrophobicContact CB-CG2 4.19Å; F705-V717 PolarHBondContact N-O 2.8Å; F705-V717 PolarHBondContact O-N 3.26Å; F705-S718 WeakPolarHBondContact CD2-O 3.31Å; F705-T728 HydrophobicContact CE1-CG2 4.41Å; F705-T728 HydrophobicContact CZ-CG2 4.49Å; F705-R731 WeakPolarHBondContact CA-O 3.33Å
706	S	88.1	Confident	80.7	Confident	23 Å²	23	60.1 Å²	60.1	16%	0.161	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	126.7	165.7	54.4	0	0	0	0	111.6	R731 R732 C733	S706-R731 PolarHBondContact N-O 2.81Å; S706-R731 PolarHBondContact OG-O 2.81Å; S706-R731 VanDerWaalsContact OG-O 3.06Å; S706-R732 WeakPolarHBondContact O-CA 3.21Å; S706-R732 WeakPolarHBondContact O-CB 3.45Å; S706-R732 WeakPolarHBondContact OG-CB 3.23Å; S706-C733 PolarHBondContact O-N 2.94Å
707	L	86.8	Confident	81	Confident	42 Å²	42	61 Å²	61	22%	0.22	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	128.2	169.5	-173.8	66.2	0	0	0	108.7	R714 K715 V717 P721 Y724 C733	L707-R714 WeakPolarHBondContact O-CA 3.47Å; L707-K715 WeakPolarHBondContact CB-O 3.45Å; L707-K715 PolarHBondContact N-O 2.9Å; L707-K715 PolarHBondContact O-N 2.79Å; L707-V717 HydrophobicContact CB-CG2 4.35Å; L707-P721 HydrophobicContact CD1-CG 3.92Å; L707-P721 HydrophobicContact CD2-CG 3.93Å; L707-Y724 HydrophobicContact CD1-CD1 4.15Å; L707-Y724 HydrophobicContact CD1-CE1 4.12Å; L707-Y724 HydrophobicContact CD1-CG 4.43Å; L707-C733 HydrophobicContact CD1-CB 3.8Å
708	G	76.6	Confident	81	Confident	30 Å²	30	60.3 Å²	60.3	31%	0.309	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	85.1	-145.9	-177	0	0	0	0	0	114.1	R732	G708-R732 PolarHBondContact O-NH2 2.97Å
709	S	69.4	Low	81.1	Confident	52 Å²	52	62.7 Å²	62.7	36%	0.364	35%	0.35	S	S	.	.			trans	-158.8	160.8	-176.7	-167.9	0	0	0	0	108.9	K711 T712 S713 R714	S709-K711 PolarHBondContact O-N 3.23Å; S709-T712 PolarHBondContact N-OG1 3.08Å; S709-T712 VanDerWaalsContact N-OG1 3.1Å; S709-T712 CarbonylContact O-C 3.4Å; S709-T712 PolarHBondContact O-N 2.81Å; S709-T712 PolarHBondContact O-OG1 3.02Å; S709-S713 CarbonylContact O-C 3.58Å; S709-S713 VanDerWaalsContact O-C 3.28Å; S709-S713 PolarHBondContact O-N 3.02Å; S709-R714 PolarHBondContact O-N 2.93Å
710	V	62.3	Low	81.3	Confident	113 Å²	113	63.7 Å²	63.7	69%	0.685	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-55.6	-40.1	179.7	-177.5	0	0	0	0	111.4	T712	V710-T712 PolarHBondContact O-N 3.28Å
711	K	60.3	Low	81.4	Confident	205 Å²	205	62.7 Å²	62.7	89%	0.891	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-72.8	0.7	176.3	-64.4	-170.2	175	-171.9	0	115.3	S709	S709-K711 PolarHBondContact O-N 3.23Å
712	T	61.3	Low	81.4	Confident	99 Å²	99	66.9 Å²	66.9	61%	0.607	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-138.6	21.4	-174.4	72.9	0	0	0	0	113.1	S709 V710	S709-T712 PolarHBondContact N-OG1 3.08Å; S709-T712 VanDerWaalsContact N-OG1 3.1Å; S709-T712 CarbonylContact O-C 3.4Å; S709-T712 PolarHBondContact O-N 2.81Å; S709-T712 PolarHBondContact O-OG1 3.02Å; V710-T712 PolarHBondContact O-N 3.28Å
713	S	67.6	Low	81.2	Confident	75 Å²	75	66.2 Å²	66.2	52%	0.524	37%	0.371	S	S	.	.			trans	58.6	121.4	-159.8	-172.6	0	0	0	0	112.8	S709	S709-S713 CarbonylContact O-C 3.58Å; S709-S713 VanDerWaalsContact O-C 3.28Å; S709-S713 PolarHBondContact O-N 3.02Å
714	R	82.1	Confident	81.3	Confident	65 Å²	65	67.1 Å²	67.1	25%	0.245	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	123.8	178.1	171.6	-174.9	62.5	-175.2	-7.7	107.9	D697 C699 L700 L707 S709	D697-R714 VanDerWaalsContact CA-O 3.27Å; D697-R714 WeakPolarHBondContact CA-O 3.43Å; C699-R714 VanDerWaalsContact O-CZ 3.28Å; C699-R714 PolarHBondContact O-NE 2.86Å; C699-R714 PolarHBondContact O-NH2 2.85Å; L700-R714 VanDerWaalsContact O-CZ 3.23Å; L700-R714 PolarHBondContact O-NH1 2.03Å; L700-R714 PolarHBondContact O-NH2 3.06Å; L707-R714 WeakPolarHBondContact O-CA 3.47Å; S709-R714 PolarHBondContact O-N 2.93Å
715	K	88.5	Confident	81.4	Confident	98 Å²	98	64.6 Å²	64.6	43%	0.426	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	136.2	173.9	-172.2	161.6	-176.8	150.5	0	111.3	A696 D697 L707	A696-K715 HydrophobicContact CB-CG 4.23Å; D697-K715 HydrophobicContact CB-CB 4.12Å; D697-K715 HydrophobicContact CB-CD 4.44Å; D697-K715 HydrophobicContact CB-CG 4.21Å; L707-K715 WeakPolarHBondContact CB-O 3.45Å; L707-K715 PolarHBondContact N-O 2.9Å; L707-K715 PolarHBondContact O-N 2.79Å
716	C	89.8	Confident	81.2	Confident	3 Å²	3	64.4 Å²	64.4	2%	0.02	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	138.4	175	-60.4	0	0	0	0	111.2	E685 A696 C699 C702	E685-C716 HydrophobicContact CB-CB 3.78Å; A696-C716 PolarHBondContact O-N 2.84Å; C699-C716 WeakPolarHBondContact CB-SG 3.37Å; C702-C716 WeakPolarHBondContact CA-SG 3.36Å; C702-C716 HydrophobicContact CB-CB 3.58Å; C702-C716 WeakPolarHBondContact CB-SG 3.2Å; C702-C716 WeakPolarHBondContact SG-CA 3.5Å; C702-C716 WeakPolarHBondContact SG-CB 3.31Å; C702-C716 CovalentContact SG-SG 2.03Å; C702-C716 PolarHBondContact SG-SG 3.11Å
717	V	88.9	Confident	81	Confident	27 Å²	27	64.3 Å²	64.3	16%	0.164	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	139.5	180	-63.8	0	0	0	0	111.5	H704 F705 L707 V719	H704-V717 WeakPolarHBondContact CB-O 3.49Å; F705-V717 HydrophobicContact CB-CG2 4.19Å; F705-V717 PolarHBondContact N-O 2.8Å; F705-V717 PolarHBondContact O-N 3.26Å; L707-V717 HydrophobicContact CB-CG2 4.35Å; V717-V719 WeakPolarHBondContact CG2-O 3.38Å
718	S	85.8	Confident	80.8	Confident	57 Å²	57	67.7 Å²	67.7	40%	0.399	39%	0.385	S	S	.	.	S	Bend	trans	-68.1	-34.5	174.4	25.5	0	0	0	0	113.2	E685 F705	E685-S718 VanDerWaalsContact CD-N 3.33Å; E685-S718 WeakPolarHBondContact OE1-CB 3.32Å; E685-S718 PolarHBondContact OE1-N 2.75Å; E685-S718 PolarHBondContact OE1-OG 3.42Å; E685-S718 PolarHBondContact OE2-N 2.88Å; E685-S718 VanDerWaalsContact OE2-N 3.09Å; F705-S718 WeakPolarHBondContact CD2-O 3.31Å
719	V	87	Confident	80.9	Confident	113 Å²	113	71 Å²	71	69%	0.685	41%	0.409	S	S	*	.	S	Bend	trans	-132.6	137.9	177.7	-175.2	0	0	0	0	109.5	V717	V717-V719 WeakPolarHBondContact CG2-O 3.38Å
720	C	87.9	Confident	81.4	Confident	21 Å²	21	70.6 Å²	70.6	14%	0.142	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-69	135.2	177.6	-70.2	0	0	0	0	112.1	C733	C720-C733 WeakPolarHBondContact CA-SG 3.32Å; C720-C733 HydrophobicContact CB-CB 3.8Å; C720-C733 WeakPolarHBondContact CB-SG 3.29Å; C720-C733 WeakPolarHBondContact SG-CA 3.48Å; C720-C733 WeakPolarHBondContact SG-CB 3.15Å; C720-C733 CovalentContact SG-SG 2.04Å; C720-C733 PolarHBondContact SG-SG 3.12Å
721	P	86.9	Confident	82.5	Confident	54 Å²	54	72.7 Å²	72.7	35%	0.351	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-71.1	159.1	-178	30.4	-36.5	0	0	0	112.2	L707 G723 Y724	L707-P721 HydrophobicContact CD1-CG 3.92Å; L707-P721 HydrophobicContact CD2-CG 3.93Å; P721-G723 PolarHBondContact O-N 2.55Å; P721-Y724 HydrophobicContact CG-CD2 4.19Å; P721-Y724 WeakPolarHBondContact O-CB 3.34Å; P721-Y724 PolarHBondContact O-N 2.84Å
722	L	85.6	Confident	83.8	Confident	121 Å²	121	67.4 Å²	67.4	63%	0.634	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.5	135.2	179.2	-65.2	178.1	0	0	0	112.3	E741 T742	L722-E741 HydrophobicContact CB-CG 4.32Å; L722-E741 HydrophobicContact CD2-CG 4.37Å; L722-T742 HydrophobicContact CD2-CG2 4.05Å
723	G	84.5	Confident	85.2	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.8	3.4	-173.5	0	0	0	0	0	115.3	P721 C736 E741 R755	P721-G723 PolarHBondContact O-N 2.55Å; G723-C736 WeakPolarHBondContact O-CB 3.26Å; G723-C736 PolarHBondContact O-N 2.87Å; G723-E741 VanDerWaalsContact CA-O 3.31Å; G723-E741 WeakPolarHBondContact CA-O 3.43Å; G723-E741 PolarHBondContact N-O 3.46Å; G723-R755 PolarHBondContact O-NH2 3.24Å
724	Y	89.2	Confident	86.1	Confident	84 Å²	84	63.8 Å²	63.8	33%	0.329	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	149.9	171.3	-62.7	-110.5	0	0	0	109.9	L707 P721 C733 R734 R735	L707-Y724 HydrophobicContact CD1-CD1 4.15Å; L707-Y724 HydrophobicContact CD1-CE1 4.12Å; L707-Y724 HydrophobicContact CD1-CG 4.43Å; P721-Y724 HydrophobicContact CG-CD2 4.19Å; P721-Y724 WeakPolarHBondContact O-CB 3.34Å; P721-Y724 PolarHBondContact O-N 2.84Å; Y724-C733 HydrophobicContact CD1-CB 4.03Å; Y724-C733 HydrophobicContact CG-CB 4.3Å; Y724-R734 CarbonylContact C-O 3.56Å; Y724-R734 VanDerWaalsContact CA-O 3.23Å; Y724-R734 WeakPolarHBondContact CA-O 3.06Å; Y724-R735 HydrophobicContact CD1-CB 4.02Å; Y724-R735 HydrophobicContact CE1-CB 3.86Å; Y724-R735 HydrophobicContact CE1-CG 4.32Å
725	F	89.4	Confident	86.5	Confident	38 Å²	38	68 Å²	68	17%	0.167	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	152.4	169.1	70.1	-79.9	0	0	0	110.3	D727 C733 R734 C743 R746	F725-D727 PolarHBondContact O-N 2.98Å; F725-C733 WeakPolarHBondContact O-CA 3.42Å; F725-R734 HydrophobicContact CD1-CB 4.06Å; F725-R734 WeakPolarHBondContact CD1-O 3.02Å; F725-R734 HydrophobicContact CE1-CB 3.53Å; F725-R734 HydrophobicContact CE2-CB 4.25Å; F725-R734 HydrophobicContact CZ-CB 3.64Å; F725-R734 HydrophobicContact CZ-CG 4.38Å; F725-R734 PolarHBondContact N-O 2.68Å; F725-R734 PolarHBondContact O-N 3.07Å; F725-C743 WeakPolarHBondContact CD1-SG 3.16Å; F725-R746 HydrophobicContact CE1-CG 3.75Å; F725-R746 HydrophobicContact CZ-CG 4.02Å
726	G	87.3	Confident	86.6	Confident	33 Å²	33	63.7 Å²	63.7	34%	0.34	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	114.2	175.3	0	0	0	0	0	111.1	T728	G726-T728 PolarHBondContact O-N 3.45Å
727	D	84.8	Confident	86.4	Confident	20 Å²	20	67.6 Å²	67.6	11%	0.107	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	104.8	161.3	175	-1.9	0	0	0	107.9	F725 A729 A730 R731 R732 R734	F725-D727 PolarHBondContact O-N 2.98Å; D727-A729 PolarHBondContact OD1-N 3.37Å; D727-A730 PolarHBondContact OD1-N 2.89Å; D727-A730 WeakPolarHBondContact OD2-CB 3.47Å; D727-R731 WeakPolarHBondContact O-CA 3.49Å; D727-R731 PolarHBondContact O-N 3.48Å; D727-R732 WeakPolarHBondContact CB-O 3.11Å; D727-R732 PolarHBondContact N-O 3Å; D727-R732 PolarHBondContact O-N 2.73Å; D727-R732 VanDerWaalsContact O-N 3.07Å; D727-R734 HydrophobicContact CB-CG 3.96Å; D727-R734 IonicContact OD2-CZ 3.72Å; D727-R734 IonicContact OD2-NE 3.89Å; D727-R734 PolarHBondContact OD2-NE 2.84Å; D727-R734 IonicContact OD2-NH2 3.85Å; D727-R734 PolarHBondContact OD2-NH2 3.39Å
728	T	80.6	Confident	86.2	Confident	114 Å²	114	74.5 Å²	74.5	70%	0.699	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-31.4	-179.9	47.6	0	0	0	0	112.8	F705 G726	F705-T728 HydrophobicContact CE1-CG2 4.41Å; F705-T728 HydrophobicContact CZ-CG2 4.49Å; G726-T728 PolarHBondContact O-N 3.45Å
729	A	80.1	Confident	86	Confident	98 Å²	98	72 Å²	72	81%	0.81	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-35.3	179.1	0	0	0	0	0	111.8	D727	D727-A729 PolarHBondContact OD1-N 3.37Å
730	A	79.9	Confident	86.1	Confident	44 Å²	44	66.7 Å²	66.7	36%	0.364	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	9.6	176.3	0	0	0	0	0	114.5	D727 R732	D727-A730 PolarHBondContact OD1-N 2.89Å; D727-A730 WeakPolarHBondContact OD2-CB 3.47Å; A730-R732 HydrophobicContact CB-CG 4.12Å; A730-R732 PolarHBondContact O-N 3.42Å; A730-R732 VanDerWaalsContact O-N 3.12Å
731	R	84.4	Confident	86.1	Confident	157 Å²	157	68.5 Å²	68.5	59%	0.592	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	38.2	50.5	-175.3	-66.4	-169.7	-175.3	176.5	2.5	113.5	F705 S706 D727	F705-R731 WeakPolarHBondContact CA-O 3.33Å; S706-R731 PolarHBondContact N-O 2.81Å; S706-R731 PolarHBondContact OG-O 2.81Å; S706-R731 VanDerWaalsContact OG-O 3.06Å; D727-R731 WeakPolarHBondContact O-CA 3.49Å; D727-R731 PolarHBondContact O-N 3.48Å
732	R	88.6	Confident	86.2	Confident	95 Å²	95	68.5 Å²	68.5	36%	0.358	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	153.9	-177	80	-172.7	-56.2	174.5	6.4	114.6	S706 G708 D727 A730 R734	S706-R732 WeakPolarHBondContact O-CA 3.21Å; S706-R732 WeakPolarHBondContact O-CB 3.45Å; S706-R732 WeakPolarHBondContact OG-CB 3.23Å; G708-R732 PolarHBondContact O-NH2 2.97Å; D727-R732 WeakPolarHBondContact CB-O 3.11Å; D727-R732 PolarHBondContact N-O 3Å; D727-R732 PolarHBondContact O-N 2.73Å; D727-R732 VanDerWaalsContact O-N 3.07Å; A730-R732 HydrophobicContact CB-CG 4.12Å; A730-R732 PolarHBondContact O-N 3.42Å; A730-R732 VanDerWaalsContact O-N 3.12Å; R732-R734 HydrophobicContact CG-CG 4.41Å; R732-R734 PolarHBondContact O-N 2.98Å
733	C	90	Very high	86.3	Confident	9 Å²	9	63.4 Å²	63.4	6%	0.061	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	113.3	174.7	-58.8	0	0	0	0	110.6	S706 L707 C720 Y724 F725	S706-C733 PolarHBondContact O-N 2.94Å; L707-C733 HydrophobicContact CD1-CB 3.8Å; C720-C733 WeakPolarHBondContact CA-SG 3.32Å; C720-C733 HydrophobicContact CB-CB 3.8Å; C720-C733 WeakPolarHBondContact CB-SG 3.29Å; C720-C733 WeakPolarHBondContact SG-CA 3.48Å; C720-C733 WeakPolarHBondContact SG-CB 3.15Å; C720-C733 CovalentContact SG-SG 2.04Å; C720-C733 PolarHBondContact SG-SG 3.12Å; Y724-C733 HydrophobicContact CD1-CB 4.03Å; Y724-C733 HydrophobicContact CG-CB 4.3Å; F725-C733 WeakPolarHBondContact O-CA 3.42Å
734	R	87.4	Confident	86.4	Confident	88 Å²	88	66.2 Å²	66.2	33%	0.332	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	130	172.6	-70.7	-165.5	-170.5	-146.3	9	109.9	Y724 F725 D727 R732 C736	Y724-R734 CarbonylContact C-O 3.56Å; Y724-R734 VanDerWaalsContact CA-O 3.23Å; Y724-R734 WeakPolarHBondContact CA-O 3.06Å; F725-R734 HydrophobicContact CD1-CB 4.06Å; F725-R734 WeakPolarHBondContact CD1-O 3.02Å; F725-R734 HydrophobicContact CE1-CB 3.53Å; F725-R734 HydrophobicContact CE2-CB 4.25Å; F725-R734 HydrophobicContact CZ-CB 3.64Å; F725-R734 HydrophobicContact CZ-CG 4.38Å; F725-R734 PolarHBondContact N-O 2.68Å; F725-R734 PolarHBondContact O-N 3.07Å; D727-R734 HydrophobicContact CB-CG 3.96Å; D727-R734 IonicContact OD2-CZ 3.72Å; D727-R734 IonicContact OD2-NE 3.89Å; D727-R734 PolarHBondContact OD2-NE 2.84Å; D727-R734 IonicContact OD2-NH2 3.85Å; D727-R734 PolarHBondContact OD2-NH2 3.39Å; R732-R734 HydrophobicContact CG-CG 4.41Å; R732-R734 PolarHBondContact O-N 2.98Å; R734-C736 PolarHBondContact O-N 2.91Å
735	R	89	Confident	86.2	Confident	154 Å²	154	64 Å²	64	58%	0.581	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.5	135.4	176.6	-165.1	-178.8	-179.6	159.6	3.1	111.2	Y724	Y724-R735 HydrophobicContact CD1-CB 4.02Å; Y724-R735 HydrophobicContact CE1-CB 3.86Å; Y724-R735 HydrophobicContact CE1-CG 4.32Å
736	C	90.8	Very high	86	Confident	8 Å²	8	69.2 Å²	69.2	5%	0.054	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-65.8	169.1	169.7	-66.4	0	0	0	0	112.1	G723 R734 C740 C743	G723-C736 WeakPolarHBondContact O-CB 3.26Å; G723-C736 PolarHBondContact O-N 2.87Å; R734-C736 PolarHBondContact O-N 2.91Å; C736-C740 HydrophobicContact CB-CB 4.07Å; C736-C743 WeakPolarHBondContact CA-SG 3.48Å; C736-C743 HydrophobicContact CB-CB 3.78Å; C736-C743 WeakPolarHBondContact CB-SG 3.28Å; C736-C743 WeakPolarHBondContact SG-CB 3.18Å; C736-C743 CovalentContact SG-SG 2.04Å; C736-C743 PolarHBondContact SG-SG 3.26Å
737	H	86.8	Confident	85.8	Confident	84 Å²	84	69.7 Å²	69.7	39%	0.389	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-58.2	156.1	171.3	-168.1	-94.3	0	0	0	112.4	G739 C740	H737-G739 PolarHBondContact O-N 3.39Å; H737-C740 VanDerWaalsContact O-CB 3.31Å; H737-C740 WeakPolarHBondContact O-CB 3.26Å; H737-C740 PolarHBondContact O-N 2.67Å; H737-C740 VanDerWaalsContact O-N 3.07Å
738	K	83.8	Confident	85.6	Confident	172 Å²	172	70.5 Å²	70.5	75%	0.748	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	135.2	176	-173.1	179.2	177.4	-175.7	0	110	C740	K738-C740 VanDerWaalsContact C-N 3.27Å; K738-C740 PolarHBondContact O-N 2.67Å
739	G	83	Confident	85.7	Confident	4 Å²	4	68.5 Å²	68.5	4%	0.041	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.2	-17.2	-176.2	0	0	0	0	0	115.8	H737 R755 F758	H737-G739 PolarHBondContact O-N 3.39Å; G739-R755 PolarHBondContact O-N 2.03Å; G739-F758 VanDerWaalsContact CA-CZ 3.43Å
740	C	88.9	Confident	86	Confident	3 Å²	3	67.8 Å²	67.8	2%	0.02	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	135.2	-174.4	-168.4	0	0	0	0	112.7	C736 H737 K738 T742 C751 R755	C736-C740 HydrophobicContact CB-CB 4.07Å; H737-C740 VanDerWaalsContact O-CB 3.31Å; H737-C740 WeakPolarHBondContact O-CB 3.26Å; H737-C740 PolarHBondContact O-N 2.67Å; H737-C740 VanDerWaalsContact O-N 3.07Å; K738-C740 VanDerWaalsContact C-N 3.27Å; K738-C740 PolarHBondContact O-N 2.67Å; C740-T742 PolarHBondContact SG-O 2.89Å; C740-C751 WeakPolarHBondContact CA-SG 3.14Å; C740-C751 HydrophobicContact CB-CB 3.96Å; C740-C751 WeakPolarHBondContact CB-SG 3.46Å; C740-C751 WeakPolarHBondContact SG-CA 3.45Å; C740-C751 WeakPolarHBondContact SG-CB 3.37Å; C740-C751 CovalentContact SG-SG 2.03Å; C740-C751 PolarHBondContact SG-SG 3.34Å; C740-R755 VanDerWaalsContact O-CZ 3.3Å; C740-R755 PolarHBondContact O-NE 2.91Å; C740-R755 PolarHBondContact O-NH2 3.46Å
741	E	87.7	Confident	86.4	Confident	58 Å²	58	65.8 Å²	65.8	27%	0.271	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	-48.5	-177.7	-169.7	164	-87.7	0	0	112	L722 G723 S753 R755	L722-E741 HydrophobicContact CB-CG 4.32Å; L722-E741 HydrophobicContact CD2-CG 4.37Å; G723-E741 VanDerWaalsContact CA-O 3.31Å; G723-E741 WeakPolarHBondContact CA-O 3.43Å; G723-E741 PolarHBondContact N-O 3.46Å; E741-S753 WeakPolarHBondContact CB-O 3.02Å; E741-S753 PolarHBondContact N-O 2.94Å; E741-R755 HydrophobicContact CB-CB 4.39Å; E741-R755 HydrophobicContact CB-CG 3.62Å; E741-R755 HydrophobicContact CG-CG 4.18Å
742	T	87.4	Confident	86.4	Confident	54 Å²	54	63.8 Å²	63.8	33%	0.331	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	135.8	167.7	63.9	0	0	0	0	109.6	L722 C740 L752 S753	L722-T742 HydrophobicContact CD2-CG2 4.05Å; C740-T742 PolarHBondContact SG-O 2.89Å; T742-L752 PolarHBondContact O-N 2.75Å; T742-S753 PolarHBondContact N-O 2.95Å; T742-S753 PolarHBondContact N-OG 2.03Å; T742-S753 PolarHBondContact O-N 3.33Å; T742-S753 WeakPolarHBondContact OG1-CB 3.44Å; T742-S753 PolarHBondContact OG1-N 2.84Å; T742-S753 PolarHBondContact OG1-OG 3.3Å
743	C	88.9	Confident	86.2	Confident	14 Å²	14	61 Å²	61	10%	0.095	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	153.7	-176.3	65.9	0	0	0	0	111.1	F725 C736 S745 Q750	F725-C743 WeakPolarHBondContact CD1-SG 3.16Å; C736-C743 WeakPolarHBondContact CA-SG 3.48Å; C736-C743 HydrophobicContact CB-CB 3.78Å; C736-C743 WeakPolarHBondContact CB-SG 3.28Å; C736-C743 WeakPolarHBondContact SG-CB 3.18Å; C736-C743 CovalentContact SG-SG 2.04Å; C736-C743 PolarHBondContact SG-SG 3.26Å; C743-S745 WeakPolarHBondContact CB-O 3.24Å; C743-S745 PolarHBondContact SG-O 3.06Å; C743-Q750 WeakPolarHBondContact CA-O 3.49Å; C743-Q750 WeakPolarHBondContact CB-O 3.31Å
744	S	87.2	Confident	86.1	Confident	60 Å²	60	61.7 Å²	61.7	42%	0.42	32%	0.315	S	S	.	.	S	Bend	trans	-85	-21.6	168.9	57.1	0	0	0	0	112.4	Q750	S744-Q750 PolarHBondContact N-O 3.25Å; S744-Q750 VanDerWaalsContact N-O 3.14Å; S744-Q750 WeakPolarHBondContact OG-CB 3.41Å; S744-Q750 PolarHBondContact OG-O 3.22Å; S744-Q750 PolarHBondContact OG-OE1 2.8Å
745	S	84.1	Confident	85.9	Confident	36 Å²	36	61 Å²	61	25%	0.252	31%	0.312	S	S	.	.	S	Bend	trans	-158.9	-174	-178.9	76.9	0	0	0	0	113.4	C743 A747 Q750	C743-S745 WeakPolarHBondContact CB-O 3.24Å; C743-S745 PolarHBondContact SG-O 3.06Å; S745-A747 VanDerWaalsContact C-N 3.31Å; S745-A747 PolarHBondContact O-N 3.35Å; S745-A747 PolarHBondContact OG-N 3.23Å; S745-Q750 VanDerWaalsContact OG-CB 3.22Å; S745-Q750 WeakPolarHBondContact OG-CB 3.13Å
746	R	84.5	Confident	85.4	Confident	148 Å²	148	65.3 Å²	65.3	56%	0.558	33%	0.329	S	S	*	.	S	Bend	trans	-74	-13.1	173.2	-77.3	-170.9	167.4	171.8	-3.1	114.9	F725	F725-R746 HydrophobicContact CE1-CG 3.75Å; F725-R746 HydrophobicContact CZ-CG 4.02Å
747	A	83.7	Confident	84.8	Confident	44 Å²	44	67.3 Å²	67.3	36%	0.364	35%	0.351	S	S	.	.	S	Bend	trans	-72.9	144.1	-175.3	0	0	0	0	0	112.1	S745 T749 Q750	S745-A747 VanDerWaalsContact C-N 3.31Å; S745-A747 PolarHBondContact O-N 3.35Å; S745-A747 PolarHBondContact OG-N 3.23Å; A747-T749 VanDerWaalsContact C-N 3.31Å; A747-T749 PolarHBondContact O-N 3.5Å; A747-Q750 HydrophobicContact CB-CB 4.06Å; A747-Q750 HydrophobicContact CB-CG 3.95Å; A747-Q750 PolarHBondContact O-N 2.04Å; A747-Q750 VanDerWaalsContact O-N 3.15Å
748	A	80	Confident	84.8	Confident	36 Å²	36	65.2 Å²	65.2	30%	0.298	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-36	-176.2	0	0	0	0	0	113.5	Q750 T766	A748-Q750 VanDerWaalsContact C-N 3.27Å; A748-Q750 PolarHBondContact O-N 2.81Å; A748-T766 HydrophobicContact CB-CG2 4.45Å
749	T	84.1	Confident	85	Confident	72 Å²	72	58.7 Å²	58.7	44%	0.442	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	1.4	179.3	54.3	0	0	0	0	113.7	A747 N765 T766	A747-T749 VanDerWaalsContact C-N 3.31Å; A747-T749 PolarHBondContact O-N 3.5Å; T749-N765 CarbonylContact C-O 3.58Å; T749-N765 WeakPolarHBondContact CA-O 3.46Å; T749-N765 PolarHBondContact O-ND2 2.03Å; T749-T766 HydrophobicContact CG2-CG2 3.97Å
750	Q	86.6	Confident	85.2	Confident	84 Å²	84	60 Å²	60	39%	0.393	32%	0.316	S	S	.	.			trans	-110.4	35.8	-178.2	-72.5	-64.2	-44.5	0	0	111	C743 S744 S745 A747 A748	C743-Q750 WeakPolarHBondContact CA-O 3.49Å; C743-Q750 WeakPolarHBondContact CB-O 3.31Å; S744-Q750 PolarHBondContact N-O 3.25Å; S744-Q750 VanDerWaalsContact N-O 3.14Å; S744-Q750 WeakPolarHBondContact OG-CB 3.41Å; S744-Q750 PolarHBondContact OG-O 3.22Å; S744-Q750 PolarHBondContact OG-OE1 2.8Å; S745-Q750 VanDerWaalsContact OG-CB 3.22Å; S745-Q750 WeakPolarHBondContact OG-CB 3.13Å; A747-Q750 HydrophobicContact CB-CB 4.06Å; A747-Q750 HydrophobicContact CB-CG 3.95Å; A747-Q750 PolarHBondContact O-N 2.04Å; A747-Q750 VanDerWaalsContact O-N 3.15Å; A748-Q750 VanDerWaalsContact C-N 3.27Å; A748-Q750 PolarHBondContact O-N 2.81Å
751	C	86.6	Confident	85.1	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.007	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	142.1	173.2	-164.5	0	0	0	0	110.9	C740 S753 N765 C767	C740-C751 WeakPolarHBondContact CA-SG 3.14Å; C740-C751 HydrophobicContact CB-CB 3.96Å; C740-C751 WeakPolarHBondContact CB-SG 3.46Å; C740-C751 WeakPolarHBondContact SG-CA 3.45Å; C740-C751 WeakPolarHBondContact SG-CB 3.37Å; C740-C751 CovalentContact SG-SG 2.03Å; C740-C751 PolarHBondContact SG-SG 3.34Å; C751-S753 PolarHBondContact SG-O 3.44Å; C751-N765 PolarHBondContact O-ND2 3.22Å; C751-N765 PolarHBondContact O-OD1 2.8Å; C751-C767 PolarHBondContact SG-SG 2.88Å
752	L	84.8	Confident	84.7	Confident	115 Å²	115	62.9 Å²	62.9	60%	0.602	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.5	-30.6	-178.9	-56.3	175.4	0	0	0	111.5	T742	T742-L752 PolarHBondContact O-N 2.75Å
753	S	85.1	Confident	84.4	Confident	36 Å²	36	66.2 Å²	66.2	25%	0.252	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	144.7	168.2	69	0	0	0	0	112.2	E741 T742 C751	E741-S753 WeakPolarHBondContact CB-O 3.02Å; E741-S753 PolarHBondContact N-O 2.94Å; T742-S753 PolarHBondContact N-O 2.95Å; T742-S753 PolarHBondContact N-OG 2.03Å; T742-S753 PolarHBondContact O-N 3.33Å; T742-S753 WeakPolarHBondContact OG1-CB 3.44Å; T742-S753 PolarHBondContact OG1-N 2.84Å; T742-S753 PolarHBondContact OG1-OG 3.3Å; C751-S753 PolarHBondContact SG-O 3.44Å
754	C	87.4	Confident	84	Confident	25 Å²	25	70 Å²	70	17%	0.169	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	144.8	178.1	-60.3	0	0	0	0	111.8	F758 C767	C754-F758 HydrophobicContact CB-CB 3.99Å; C754-C767 WeakPolarHBondContact CA-SG 3.4Å; C754-C767 HydrophobicContact CB-CB 3.82Å; C754-C767 WeakPolarHBondContact CB-SG 3.03Å; C754-C767 VanDerWaalsContact SG-CA 3.5Å; C754-C767 WeakPolarHBondContact SG-CB 3.32Å; C754-C767 CovalentContact SG-SG 2.03Å; C754-C767 PolarHBondContact SG-SG 3.14Å
755	R	83.8	Confident	83.8	Confident	73 Å²	73	69.6 Å²	69.6	28%	0.275	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-66.9	152.6	172	-64.7	-178	-157.9	-134.9	-0	109.8	G723 G739 C740 E741 G757 F758	G723-R755 PolarHBondContact O-NH2 3.24Å; G739-R755 PolarHBondContact O-N 2.03Å; C740-R755 VanDerWaalsContact O-CZ 3.3Å; C740-R755 PolarHBondContact O-NE 2.91Å; C740-R755 PolarHBondContact O-NH2 3.46Å; E741-R755 HydrophobicContact CB-CB 4.39Å; E741-R755 HydrophobicContact CB-CG 3.62Å; E741-R755 HydrophobicContact CG-CG 4.18Å; R755-G757 PolarHBondContact O-N 3.13Å; R755-F758 HydrophobicContact CB-CD2 4.36Å; R755-F758 PolarHBondContact O-N 2.78Å
756	R	79.2	Confident	84	Confident	244 Å²	244	69 Å²	69	92%	0.921	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.4	129.1	167.3	-65.2	-178.8	176.1	-176.5	-2.3	110.4
757	G	76.6	Confident	84.2	Confident	50 Å²	50	62.9 Å²	62.9	52%	0.515	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	92	4.9	-173.3	0	0	0	0	0	115.6	R755	R755-G757 PolarHBondContact O-N 3.13Å
758	F	86.8	Confident	84.4	Confident	40 Å²	40	62.3 Å²	62.3	18%	0.175	32%	0.318	C	S	.	.			trans	-127.7	146.6	171.5	-67.9	-107.3	0	0	0	110.5	G739 C754 R755 C767 V768 T769	G739-F758 VanDerWaalsContact CA-CZ 3.43Å; C754-F758 HydrophobicContact CB-CB 3.99Å; R755-F758 HydrophobicContact CB-CD2 4.36Å; R755-F758 PolarHBondContact O-N 2.78Å; F758-C767 HydrophobicContact CB-CB 4.06Å; F758-C767 HydrophobicContact CD1-CB 4.22Å; F758-C767 HydrophobicContact CG-CB 4.47Å; F758-V768 CarbonylContact C-O 3.54Å; F758-V768 WeakPolarHBondContact CA-O 3.46Å; F758-T769 HydrophobicContact CD1-CG2 3.67Å; F758-T769 HydrophobicContact CE1-CG2 3.31Å; F758-T769 HydrophobicContact CE2-CG2 4.29Å; F758-T769 HydrophobicContact CG-CG2 4.3Å; F758-T769 HydrophobicContact CZ-CG2 3.64Å
759	Y	88.5	Confident	84.6	Confident	35 Å²	35	64.5 Å²	64.5	14%	0.137	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	141.9	176.2	-49.4	-81.1	0	0	0	110	C767 V768 A777 E779 K782	Y759-C767 WeakPolarHBondContact O-CA 3.33Å; Y759-V768 PolarHBondContact N-O 2.03Å; Y759-V768 PolarHBondContact O-N 2.64Å; Y759-A777 HydrophobicContact CD1-CB 3.79Å; Y759-A777 HydrophobicContact CD2-CB 4.17Å; Y759-A777 HydrophobicContact CE1-CB 3.72Å; Y759-A777 HydrophobicContact CE2-CB 4.09Å; Y759-A777 HydrophobicContact CG-CB 4.06Å; Y759-E779 PolarHBondContact OH-OE1 2.89Å; Y759-K782 CarbonylContact C-O 3.44Å; Y759-K782 VanDerWaalsContact CA-O 3.26Å; Y759-K782 WeakPolarHBondContact CA-O 3.49Å; Y759-K782 HydrophobicContact CD1-CB 4.46Å; Y759-K782 HydrophobicContact CD1-CD 4.17Å; Y759-K782 HydrophobicContact CE1-CD 3.91Å
760	H	87.7	Confident	84.7	Confident	32 Å²	32	67.9 Å²	67.9	15%	0.148	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	126.4	174.5	-170	-91.4	0	0	0	110.4	Q762 N765 K782 N783 C784	H760-Q762 PolarHBondContact ND1-N 2.91Å; H760-N765 PolarHBondContact CE1-OD1 2.97Å; H760-N765 VanDerWaalsContact CE1-OD1 3.29Å; H760-N765 PolarHBondContact NE2-OD1 2.82Å; H760-K782 PolarHBondContact N-O 3.43Å; H760-N783 WeakPolarHBondContact O-CA 3.28Å; H760-C784 PolarHBondContact O-N 2.88Å
761	H	87	Confident	84.7	Confident	7 Å²	7	65.1 Å²	65.1	3%	0.032	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	90.6	173.7	-165.5	-70.2	0	0	0	109.6	E763 M764 N765 T766 P772 F775	H761-E763 VanDerWaalsContact C-N 3.27Å; H761-E763 PolarHBondContact O-N 2.98Å; H761-E763 VanDerWaalsContact O-N 3.11Å; H761-M764 HydrophobicContact CB-CB 4.5Å; H761-M764 HydrophobicContact CB-CE 4.12Å; H761-M764 VanDerWaalsContact CG-CE 3.45Å; H761-M764 WeakPolarHBondContact ND1-CE 3.44Å; H761-M764 CarbonylContact O-C 3.49Å; H761-M764 PolarHBondContact O-N 2.91Å; H761-N765 PolarHBondContact O-N 3.43Å; H761-T766 PolarHBondContact N-O 2.88Å; H761-P772 VanDerWaalsContact NE2-CG 3.35Å; H761-P772 WeakPolarHBondContact NE2-CG 3.42Å; H761-F775 AromaticContact NE2-CE1 3.93Å; H761-F775 AromaticContact NE2-CZ 3.82Å
762	Q	79.5	Confident	84.6	Confident	114 Å²	114	67.5 Å²	67.5	53%	0.533	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-41	-170	-65.5	-179.6	-1	0	0	113.8	H760 M764 N765 N783	H760-Q762 PolarHBondContact ND1-N 2.91Å; Q762-M764 PolarHBondContact O-N 2.04Å; Q762-N765 PolarHBondContact O-N 3.3Å; Q762-N783 PolarHBondContact NE2-ND2 3.38Å; Q762-N783 PolarHBondContact NE2-OD1 3.46Å; Q762-N783 VanDerWaalsContact NE2-OD1 3.08Å
763	E	79.8	Confident	84.4	Confident	125 Å²	125	65.8 Å²	65.8	58%	0.584	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-14.7	-179.9	-53.2	-174.3	151.4	0	0	114.7	H761 F775 K786	H761-E763 VanDerWaalsContact C-N 3.27Å; H761-E763 PolarHBondContact O-N 2.98Å; H761-E763 VanDerWaalsContact O-N 3.11Å; E763-F775 WeakPolarHBondContact OE2-CZ 3.09Å; E763-K786 VanDerWaalsContact OE1-CE 3.23Å; E763-K786 WeakPolarHBondContact OE1-CE 3.15Å; E763-K786 IonicContact OE1-NZ 3.84Å; E763-K786 PolarHBondContact OE1-NZ 3.26Å; E763-K786 IonicContact OE2-NZ 2.76Å
764	M	80.6	Confident	84.3	Confident	92 Å²	92	65.4 Å²	65.4	45%	0.453	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.6	-12.2	178.6	-69.6	-167.9	-76.1	0	0	112.9	H761 Q762 T766	H761-M764 HydrophobicContact CB-CB 4.5Å; H761-M764 HydrophobicContact CB-CE 4.12Å; H761-M764 VanDerWaalsContact CG-CE 3.45Å; H761-M764 WeakPolarHBondContact ND1-CE 3.44Å; H761-M764 CarbonylContact O-C 3.49Å; H761-M764 PolarHBondContact O-N 2.91Å; Q762-M764 PolarHBondContact O-N 2.04Å; M764-T766 HydrophobicContact CB-CG2 4.18Å; M764-T766 WeakPolarHBondContact CB-OG1 3.32Å; M764-T766 PolarHBondContact O-N 3.5Å
765	N	84.3	Confident	84.3	Confident	53 Å²	53	66 Å²	66	28%	0.283	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	39.8	-170.1	-161.6	51	0	0	0	113.8	T749 C751 H760 H761 Q762	T749-N765 CarbonylContact C-O 3.58Å; T749-N765 WeakPolarHBondContact CA-O 3.46Å; T749-N765 PolarHBondContact O-ND2 2.03Å; C751-N765 PolarHBondContact O-ND2 3.22Å; C751-N765 PolarHBondContact O-OD1 2.8Å; H760-N765 PolarHBondContact CE1-OD1 2.97Å; H760-N765 VanDerWaalsContact CE1-OD1 3.29Å; H760-N765 PolarHBondContact NE2-OD1 2.82Å; H761-N765 PolarHBondContact O-N 3.43Å; Q762-N765 PolarHBondContact O-N 3.3Å
766	T	87.1	Confident	84.6	Confident	23 Å²	23	63.8 Å²	63.8	14%	0.141	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	158.8	179.6	53.4	0	0	0	0	111.4	A748 T749 H761 M764	A748-T766 HydrophobicContact CB-CG2 4.45Å; T749-T766 HydrophobicContact CG2-CG2 3.97Å; H761-T766 PolarHBondContact N-O 2.88Å; M764-T766 HydrophobicContact CB-CG2 4.18Å; M764-T766 WeakPolarHBondContact CB-OG1 3.32Å; M764-T766 PolarHBondContact O-N 3.5Å
767	C	89.3	Confident	84.9	Confident	19 Å²	19	53.5 Å²	53.5	13%	0.128	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	121.3	173	-62.9	0	0	0	0	110.6	C751 C754 F758 Y759	C751-C767 PolarHBondContact SG-SG 2.88Å; C754-C767 WeakPolarHBondContact CA-SG 3.4Å; C754-C767 HydrophobicContact CB-CB 3.82Å; C754-C767 WeakPolarHBondContact CB-SG 3.03Å; C754-C767 VanDerWaalsContact SG-CA 3.5Å; C754-C767 WeakPolarHBondContact SG-CB 3.32Å; C754-C767 CovalentContact SG-SG 2.03Å; C754-C767 PolarHBondContact SG-SG 3.14Å; F758-C767 HydrophobicContact CB-CB 4.06Å; F758-C767 HydrophobicContact CD1-CB 4.22Å; F758-C767 HydrophobicContact CG-CB 4.47Å; Y759-C767 WeakPolarHBondContact O-CA 3.33Å
768	V	86.9	Confident	85.2	Confident	32 Å²	32	52.1 Å²	52.1	19%	0.194	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	145.5	-177.7	-63.2	0	0	0	0	110.9	F758 Y759 L770	F758-V768 CarbonylContact C-O 3.54Å; F758-V768 WeakPolarHBondContact CA-O 3.46Å; Y759-V768 PolarHBondContact N-O 2.03Å; Y759-V768 PolarHBondContact O-N 2.64Å; V768-L770 VanDerWaalsContact C-N 3.33Å; V768-L770 WeakPolarHBondContact CB-O 3.47Å; V768-L770 WeakPolarHBondContact CG2-O 3Å
769	T	85.8	Confident	84.8	Confident	83 Å²	83	55.1 Å²	55.1	51%	0.509	31%	0.306	S	S	.	.	S	Bend	trans	-80.2	-17.8	174.9	52.1	0	0	0	0	112.9	F758	F758-T769 HydrophobicContact CD1-CG2 3.67Å; F758-T769 HydrophobicContact CE1-CG2 3.31Å; F758-T769 HydrophobicContact CE2-CG2 4.29Å; F758-T769 HydrophobicContact CG-CG2 4.3Å; F758-T769 HydrophobicContact CZ-CG2 3.64Å
770	L	86.1	Confident	84.1	Confident	142 Å²	142	58.1 Å²	58.1	74%	0.743	33%	0.332	S	S	*	.	S	Bend	trans	-143.4	133.9	179.7	-68	169	0	0	0	107.4	V768	V768-L770 VanDerWaalsContact C-N 3.33Å; V768-L770 WeakPolarHBondContact CB-O 3.47Å; V768-L770 WeakPolarHBondContact CG2-O 3Å
771	C	86.3	Confident	83.6	Confident	27 Å²	27	62.7 Å²	62.7	18%	0.182	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-71.9	145.7	175.7	-64.8	0	0	0	0	111.2	F775 C784	C771-F775 HydrophobicContact CB-CB 4.1Å; C771-C784 VanDerWaalsContact CA-SG 3.51Å; C771-C784 HydrophobicContact CB-CB 3.79Å; C771-C784 WeakPolarHBondContact CB-SG 3.43Å; C771-C784 WeakPolarHBondContact SG-CA 3Å; C771-C784 WeakPolarHBondContact SG-CB 3.4Å; C771-C784 CovalentContact SG-SG 2.04Å; C771-C784 PolarHBondContact SG-SG 3.05Å
772	P	84.4	Confident	83.4	Confident	50 Å²	50	66.4 Å²	66.4	33%	0.325	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-70.7	162.8	-179.2	29	-33.7	0	0	0	112.1	H761 G774 F775	H761-P772 VanDerWaalsContact NE2-CG 3.35Å; H761-P772 WeakPolarHBondContact NE2-CG 3.42Å; P772-G774 PolarHBondContact O-N 3.43Å; P772-F775 HydrophobicContact CG-CD2 3.91Å; P772-F775 HydrophobicContact CG-CE2 4.37Å; P772-F775 HydrophobicContact CG-CG 4.4Å; P772-F775 WeakPolarHBondContact O-CB 3.42Å; P772-F775 PolarHBondContact O-N 3.31Å
773	A	80.3	Confident	83.7	Confident	80 Å²	80	61.8 Å²	61.8	66%	0.661	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	139.8	179.9	0	0	0	0	0	112	F775	A773-F775 VanDerWaalsContact C-N 3.31Å
774	G	82.5	Confident	84.2	Confident	27 Å²	27	56.2 Å²	56.2	28%	0.278	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.8	-4.7	-167.8	0	0	0	0	0	114.7	P772 C787 K792	P772-G774 PolarHBondContact O-N 3.43Å; G774-C787 PolarHBondContact O-N 3.32Å; G774-K792 PolarHBondContact N-O 2.94Å
775	F	89.1	Confident	84.6	Confident	37 Å²	37	54.2 Å²	54.2	16%	0.162	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	154.2	173.3	-61	-111	0	0	0	111.6	H761 E763 C771 P772 A773 C784 L785 K786	H761-F775 AromaticContact NE2-CE1 3.93Å; H761-F775 AromaticContact NE2-CZ 3.82Å; E763-F775 WeakPolarHBondContact OE2-CZ 3.09Å; C771-F775 HydrophobicContact CB-CB 4.1Å; P772-F775 HydrophobicContact CG-CD2 3.91Å; P772-F775 HydrophobicContact CG-CE2 4.37Å; P772-F775 HydrophobicContact CG-CG 4.4Å; P772-F775 WeakPolarHBondContact O-CB 3.42Å; P772-F775 PolarHBondContact O-N 3.31Å; A773-F775 VanDerWaalsContact C-N 3.31Å; F775-C784 HydrophobicContact CB-CB 4.32Å; F775-C784 HydrophobicContact CD1-CB 4.25Å; F775-L785 CarbonylContact C-O 3.46Å; F775-L785 WeakPolarHBondContact CA-O 3.2Å; F775-L785 VanDerWaalsContact CB-O 3.28Å; F775-L785 WeakPolarHBondContact CB-O 3.49Å; F775-K786 HydrophobicContact CD1-CG 3.65Å; F775-K786 HydrophobicContact CE1-CD 4.11Å; F775-K786 VanDerWaalsContact CE1-CE 3.45Å; F775-K786 HydrophobicContact CE1-CG 3.41Å; F775-K786 VanDerWaalsContact CE1-CG 3.41Å; F775-K786 HydrophobicContact CE2-CG 4.44Å; F775-K786 HydrophobicContact CG-CG 4.3Å; F775-K786 HydrophobicContact CZ-CD 4.22Å; F775-K786 HydrophobicContact CZ-CG 3.85Å
776	Y	88.6	Confident	84.8	Confident	28 Å²	28	57.3 Å²	57.3	11%	0.11	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	161.7	167.6	68.6	-79.3	0	0	0	110.6	D778 C784 L785 K786 C794 D796 P798	Y776-D778 HydrophobicContact CE2-CB 4.47Å; Y776-C784 CarbonylContact O-C 3.58Å; Y776-C784 WeakPolarHBondContact O-CA 3.01Å; Y776-L785 HydrophobicContact CD1-CB 4.19Å; Y776-L785 VanDerWaalsContact CD1-O 3.23Å; Y776-L785 WeakPolarHBondContact CD1-O 3.38Å; Y776-L785 HydrophobicContact CE1-CB 3.64Å; Y776-L785 HydrophobicContact CE2-CB 4.27Å; Y776-L785 HydrophobicContact CE2-CD1 4.45Å; Y776-L785 PolarHBondContact N-O 3.04Å; Y776-L785 PolarHBondContact O-N 2.85Å; Y776-K786 WeakPolarHBondContact CE1-O 3.1Å; Y776-C794 WeakPolarHBondContact CD1-SG 3.36Å; Y776-D796 VanDerWaalsContact CE2-C 3.45Å; Y776-D796 WeakPolarHBondContact CE2-O 3.44Å; Y776-P798 HydrophobicContact CE1-CG 4.04Å
777	A	86.9	Confident	84.9	Confident	27 Å²	27	57.2 Å²	57.2	22%	0.223	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	121.8	171.9	0	0	0	0	0	109.9	Y759	Y759-A777 HydrophobicContact CD1-CB 3.79Å; Y759-A777 HydrophobicContact CD2-CB 4.17Å; Y759-A777 HydrophobicContact CE1-CB 3.72Å; Y759-A777 HydrophobicContact CE2-CB 4.09Å; Y759-A777 HydrophobicContact CG-CB 4.06Å
778	D	82.7	Confident	84.7	Confident	22 Å²	22	59.7 Å²	59.7	12%	0.118	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	113.9	164.3	164.1	39.8	0	0	0	109.5	Y776 S780 Q781 K782 N783 L785	Y776-D778 HydrophobicContact CE2-CB 4.47Å; D778-S780 VanDerWaalsContact CG-OG 3.27Å; D778-S780 PolarHBondContact O-N 3.39Å; D778-S780 WeakPolarHBondContact OD1-CB 3.19Å; D778-S780 PolarHBondContact OD1-N 2.87Å; D778-S780 PolarHBondContact OD1-OG 3.39Å; D778-S780 PolarHBondContact OD2-OG 3.3Å; D778-S780 VanDerWaalsContact OD2-OG 3.13Å; D778-Q781 WeakPolarHBondContact OD2-CA 3.1Å; D778-Q781 WeakPolarHBondContact OD2-CB 3.26Å; D778-Q781 WeakPolarHBondContact OD2-CG 3.03Å; D778-Q781 PolarHBondContact OD2-N 3.15Å; D778-K782 WeakPolarHBondContact O-CA 3.39Å; D778-K782 PolarHBondContact O-N 3.1Å; D778-N783 PolarHBondContact N-O 2.04Å; D778-N783 PolarHBondContact O-N 3.41Å; D778-L785 HydrophobicContact CB-CD1 3.64Å; D778-L785 HydrophobicContact CB-CG 3.96Å
779	E	76.9	Confident	84.5	Confident	102 Å²	102	62.9 Å²	62.9	48%	0.477	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-25.4	177.4	-72.8	-60	135	0	0	113.5	Y759 K782	Y759-E779 PolarHBondContact OH-OE1 2.89Å; E779-K782 WeakPolarHBondContact O-CD 3.43Å; E779-K782 WeakPolarHBondContact O-CE 3.02Å; E779-K782 IonicContact OE2-NZ 2.64Å; E779-K782 PolarHBondContact OE2-NZ 2.84Å
780	S	75.5	Confident	84.2	Confident	99 Å²	99	59.9 Å²	59.9	69%	0.692	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-42.7	-171.4	73.3	0	0	0	0	113.5	D778	D778-S780 VanDerWaalsContact CG-OG 3.27Å; D778-S780 PolarHBondContact O-N 3.39Å; D778-S780 WeakPolarHBondContact OD1-CB 3.19Å; D778-S780 PolarHBondContact OD1-N 2.87Å; D778-S780 PolarHBondContact OD1-OG 3.39Å; D778-S780 PolarHBondContact OD2-OG 3.3Å; D778-S780 VanDerWaalsContact OD2-OG 3.13Å
781	Q	75.5	Confident	84.2	Confident	128 Å²	128	53.3 Å²	53.3	60%	0.598	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104	-5.3	176.2	-49.7	171.9	13.4	0	0	112.9	D778 N783	D778-Q781 WeakPolarHBondContact OD2-CA 3.1Å; D778-Q781 WeakPolarHBondContact OD2-CB 3.26Å; D778-Q781 WeakPolarHBondContact OD2-CG 3.03Å; D778-Q781 PolarHBondContact OD2-N 3.15Å; Q781-N783 VanDerWaalsContact C-N 3.3Å; Q781-N783 VanDerWaalsContact CB-ND2 3.26Å; Q781-N783 WeakPolarHBondContact CB-ND2 3.45Å; Q781-N783 PolarHBondContact O-N 2.89Å; Q781-N783 PolarHBondContact OE1-ND2 2.87Å; Q781-N783 VanDerWaalsContact OE1-ND2 3.07Å
782	K	84	Confident	84.1	Confident	85 Å²	85	56.5 Å²	56.5	37%	0.37	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	40.1	-173.9	-58.1	-61.7	-176.7	175.2	0	113.1	Y759 H760 D778 E779	Y759-K782 CarbonylContact C-O 3.44Å; Y759-K782 VanDerWaalsContact CA-O 3.26Å; Y759-K782 WeakPolarHBondContact CA-O 3.49Å; Y759-K782 HydrophobicContact CD1-CB 4.46Å; Y759-K782 HydrophobicContact CD1-CD 4.17Å; Y759-K782 HydrophobicContact CE1-CD 3.91Å; H760-K782 PolarHBondContact N-O 3.43Å; D778-K782 WeakPolarHBondContact O-CA 3.39Å; D778-K782 PolarHBondContact O-N 3.1Å; E779-K782 WeakPolarHBondContact O-CD 3.43Å; E779-K782 WeakPolarHBondContact O-CE 3.02Å; E779-K782 IonicContact OE2-NZ 2.64Å; E779-K782 PolarHBondContact OE2-NZ 2.84Å
783	N	85.5	Confident	84.1	Confident	17 Å²	17	59.6 Å²	59.6	9%	0.091	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	155.5	177.9	-73.3	-47.3	0	0	0	111.4	H760 Q762 D778 Q781 L785	H760-N783 WeakPolarHBondContact O-CA 3.28Å; Q762-N783 PolarHBondContact NE2-ND2 3.38Å; Q762-N783 PolarHBondContact NE2-OD1 3.46Å; Q762-N783 VanDerWaalsContact NE2-OD1 3.08Å; D778-N783 PolarHBondContact N-O 2.04Å; D778-N783 PolarHBondContact O-N 3.41Å; Q781-N783 VanDerWaalsContact C-N 3.3Å; Q781-N783 VanDerWaalsContact CB-ND2 3.26Å; Q781-N783 WeakPolarHBondContact CB-ND2 3.45Å; Q781-N783 PolarHBondContact O-N 2.89Å; Q781-N783 PolarHBondContact OE1-ND2 2.87Å; Q781-N783 VanDerWaalsContact OE1-ND2 3.07Å; N783-L785 HydrophobicContact CB-CD2 4.01Å; N783-L785 HydrophobicContact CB-CG 4.44Å
784	C	89.8	Confident	84.4	Confident	8 Å²	8	56.2 Å²	56.2	5%	0.054	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	117.2	162.6	-66.1	0	0	0	0	110.5	H760 C771 F775 Y776	H760-C784 PolarHBondContact O-N 2.88Å; C771-C784 VanDerWaalsContact CA-SG 3.51Å; C771-C784 HydrophobicContact CB-CB 3.79Å; C771-C784 WeakPolarHBondContact CB-SG 3.43Å; C771-C784 WeakPolarHBondContact SG-CA 3Å; C771-C784 WeakPolarHBondContact SG-CB 3.4Å; C771-C784 CovalentContact SG-SG 2.04Å; C771-C784 PolarHBondContact SG-SG 3.05Å; F775-C784 HydrophobicContact CB-CB 4.32Å; F775-C784 HydrophobicContact CD1-CB 4.25Å; Y776-C784 CarbonylContact O-C 3.58Å; Y776-C784 WeakPolarHBondContact O-CA 3.01Å
785	L	88.5	Confident	84.6	Confident	50 Å²	50	58 Å²	58	26%	0.262	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	155.6	-178.1	-57.3	-174.3	0	0	0	111.3	F775 Y776 D778 N783	F775-L785 CarbonylContact C-O 3.46Å; F775-L785 WeakPolarHBondContact CA-O 3.2Å; F775-L785 VanDerWaalsContact CB-O 3.28Å; F775-L785 WeakPolarHBondContact CB-O 3.49Å; Y776-L785 HydrophobicContact CD1-CB 4.19Å; Y776-L785 VanDerWaalsContact CD1-O 3.23Å; Y776-L785 WeakPolarHBondContact CD1-O 3.38Å; Y776-L785 HydrophobicContact CE1-CB 3.64Å; Y776-L785 HydrophobicContact CE2-CB 4.27Å; Y776-L785 HydrophobicContact CE2-CD1 4.45Å; Y776-L785 PolarHBondContact N-O 3.04Å; Y776-L785 PolarHBondContact O-N 2.85Å; D778-L785 HydrophobicContact CB-CD1 3.64Å; D778-L785 HydrophobicContact CB-CG 3.96Å; N783-L785 HydrophobicContact CB-CD2 4.01Å; N783-L785 HydrophobicContact CB-CG 4.44Å
786	K	88.7	Confident	84	Confident	118 Å²	118	61 Å²	61	51%	0.513	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	145.9	-171.3	-71.2	179.9	179.8	171.9	0	114.1	E763 F775 Y776	E763-K786 VanDerWaalsContact OE1-CE 3.23Å; E763-K786 WeakPolarHBondContact OE1-CE 3.15Å; E763-K786 IonicContact OE1-NZ 3.84Å; E763-K786 PolarHBondContact OE1-NZ 3.26Å; E763-K786 IonicContact OE2-NZ 2.76Å; F775-K786 HydrophobicContact CD1-CG 3.65Å; F775-K786 HydrophobicContact CE1-CD 4.11Å; F775-K786 VanDerWaalsContact CE1-CE 3.45Å; F775-K786 HydrophobicContact CE1-CG 3.41Å; F775-K786 VanDerWaalsContact CE1-CG 3.41Å; F775-K786 HydrophobicContact CE2-CG 4.44Å; F775-K786 HydrophobicContact CG-CG 4.3Å; F775-K786 HydrophobicContact CZ-CD 4.22Å; F775-K786 HydrophobicContact CZ-CG 3.85Å; Y776-K786 WeakPolarHBondContact CE1-O 3.1Å
787	C	89.8	Confident	83.6	Confident	20 Å²	20	64.1 Å²	64.1	14%	0.135	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-79	159.4	175.9	-63.2	0	0	0	0	114.1	G774 C791 C794	G774-C787 PolarHBondContact O-N 3.32Å; C787-C791 HydrophobicContact CB-CB 4.38Å; C787-C794 WeakPolarHBondContact CA-SG 3.44Å; C787-C794 HydrophobicContact CB-CB 3.77Å; C787-C794 WeakPolarHBondContact CB-SG 3.06Å; C787-C794 WeakPolarHBondContact SG-CB 3.49Å; C787-C794 PolarHBondContact SG-N 3.17Å; C787-C794 CovalentContact SG-SG 2.03Å; C787-C794 PolarHBondContact SG-SG 2.86Å
788	H	85.4	Confident	83.3	Confident	72 Å²	72	64.5 Å²	64.5	33%	0.333	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-60.6	145.3	174.5	-177.6	-96.4	0	0	0	112	S790 C791 P798 E799	H788-S790 VanDerWaalsContact C-N 3.34Å; H788-S790 PolarHBondContact CE1-OG 3.47Å; H788-S790 PolarHBondContact ND1-N 3.42Å; H788-S790 PolarHBondContact ND1-OG 2.93Å; H788-S790 PolarHBondContact O-N 3.47Å; H788-S790 VanDerWaalsContact O-N 3.14Å; H788-C791 VanDerWaalsContact O-CB 3.26Å; H788-C791 WeakPolarHBondContact O-CB 3.4Å; H788-C791 PolarHBondContact O-N 3.29Å; H788-P798 HydrophobicContact CB-CB 4.27Å; H788-P798 WeakPolarHBondContact CB-O 3.32Å; H788-P798 PolarHBondContact N-O 3.17Å; H788-E799 HydrophobicContact CB-CG 4.39Å; H788-E799 IonicContact CD2-OE1 2.62Å
789	P	81.7	Confident	82.9	Confident	98 Å²	98	68 Å²	68	64%	0.636	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-29.7	-171.3	-30.6	38	0	0	0	117.4	C791 K805	P789-C791 PolarHBondContact O-N 3Å; P789-K805 WeakPolarHBondContact O-CD 3.33Å; P789-K805 WeakPolarHBondContact O-CE 3.5Å; P789-K805 PolarHBondContact O-NZ 2.98Å
790	S	80.2	Confident	83.1	Confident	21 Å²	21	67.3 Å²	67.3	15%	0.147	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-10.6	174.3	55.6	0	0	0	0	114	H788 K805	H788-S790 VanDerWaalsContact C-N 3.34Å; H788-S790 PolarHBondContact CE1-OG 3.47Å; H788-S790 PolarHBondContact ND1-N 3.42Å; H788-S790 PolarHBondContact ND1-OG 2.93Å; H788-S790 PolarHBondContact O-N 3.47Å; H788-S790 VanDerWaalsContact O-N 3.14Å; S790-K805 PolarHBondContact O-N 3.21Å; S790-K805 VanDerWaalsContact O-N 3.1Å
791	C	85.2	Confident	83.3	Confident	3 Å²	3	62.9 Å²	62.9	2%	0.02	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	140	-170.5	-171.6	0	0	0	0	113	C787 H788 P789 K793 C801 K805	C787-C791 HydrophobicContact CB-CB 4.38Å; H788-C791 VanDerWaalsContact O-CB 3.26Å; H788-C791 WeakPolarHBondContact O-CB 3.4Å; H788-C791 PolarHBondContact O-N 3.29Å; P789-C791 PolarHBondContact O-N 3Å; C791-K793 PolarHBondContact SG-O 2.78Å; C791-C801 WeakPolarHBondContact CA-SG 3.49Å; C791-C801 HydrophobicContact CB-CB 3.86Å; C791-C801 WeakPolarHBondContact CB-SG 3.1Å; C791-C801 WeakPolarHBondContact SG-CA 3.06Å; C791-C801 WeakPolarHBondContact SG-CB 3.41Å; C791-C801 CovalentContact SG-SG 2.03Å; C791-C801 PolarHBondContact SG-SG 2.82Å; C791-K805 WeakPolarHBondContact O-CE 3.04Å
792	K	85.2	Confident	83.6	Confident	94 Å²	94	60.1 Å²	60.1	41%	0.409	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	-30.9	177.8	-158.9	170.6	-175	168	0	111.4	G774 V803 C804 K805 E806	G774-K792 PolarHBondContact N-O 2.94Å; K792-V803 VanDerWaalsContact CA-O 3.31Å; K792-V803 WeakPolarHBondContact CA-O 3.2Å; K792-V803 HydrophobicContact CB-CB 4.45Å; K792-V803 HydrophobicContact CB-CG1 4.24Å; K792-V803 WeakPolarHBondContact CB-O 3.26Å; K792-V803 HydrophobicContact CD-CG1 4.3Å; K792-V803 PolarHBondContact N-O 2.79Å; K792-C804 WeakPolarHBondContact CB-O 3.02Å; K792-C804 WeakPolarHBondContact CD-O 3Å; K792-K805 HydrophobicContact CB-CG 3.99Å; K792-K805 HydrophobicContact CG-CG 4.45Å; K792-E806 IonicContact NZ-OE1 3.05Å; K792-E806 PolarHBondContact NZ-OE1 3.29Å
793	K	84.4	Confident	83.6	Confident	116 Å²	116	59.2 Å²	59.2	50%	0.504	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	126.4	167.9	-65.5	-174.9	179.9	179.6	0	110.7	C791 C801 T802 V803	C791-K793 PolarHBondContact SG-O 2.78Å; K793-C801 PolarHBondContact O-SG 2.82Å; K793-T802 PolarHBondContact O-N 3.09Å; K793-T802 PolarHBondContact O-OG1 2.84Å; K793-T802 VanDerWaalsContact O-OG1 3.08Å; K793-V803 HydrophobicContact CB-CB 4.1Å; K793-V803 HydrophobicContact CB-CG2 4.22Å; K793-V803 HydrophobicContact CD-CB 4.49Å; K793-V803 HydrophobicContact CD-CG2 3.99Å; K793-V803 HydrophobicContact CG-CB 4.31Å; K793-V803 HydrophobicContact CG-CG2 4.34Å; K793-V803 PolarHBondContact N-O 3.17Å; K793-V803 PolarHBondContact O-N 2.93Å
794	C	86.5	Confident	83.4	Confident	8 Å²	8	59.2 Å²	59.2	5%	0.054	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	168.5	176.7	66.3	0	0	0	0	111.6	Y776 C787 P798 K800	Y776-C794 WeakPolarHBondContact CD1-SG 3.36Å; C787-C794 WeakPolarHBondContact CA-SG 3.44Å; C787-C794 HydrophobicContact CB-CB 3.77Å; C787-C794 WeakPolarHBondContact CB-SG 3.06Å; C787-C794 WeakPolarHBondContact SG-CB 3.49Å; C787-C794 PolarHBondContact SG-N 3.17Å; C787-C794 CovalentContact SG-SG 2.03Å; C787-C794 PolarHBondContact SG-SG 2.86Å; C794-P798 WeakPolarHBondContact CB-O 2.98Å; C794-K800 CarbonylContact C-O 3.57Å; C794-K800 WeakPolarHBondContact CA-O 3.48Å; C794-K800 VanDerWaalsContact CB-O 3.26Å; C794-K800 WeakPolarHBondContact CB-O 3.23Å
795	V	85.8	Confident	82.9	Confident	66 Å²	66	63.3 Å²	63.3	40%	0.4	33%	0.325	S	S	.	.			trans	-143.6	136.9	-177.7	-179.6	0	0	0	0	109.6	E797 K800 T802	V795-E797 PolarHBondContact O-N 2.79Å; V795-K800 PolarHBondContact N-O 2.79Å; V795-K800 WeakPolarHBondContact O-CB 3.09Å; V795-K800 WeakPolarHBondContact O-CD 3.28Å; V795-T802 HydrophobicContact CB-CG2 4.41Å; V795-T802 HydrophobicContact CG2-CG2 3.66Å
796	D	77.3	Confident	82.4	Confident	98 Å²	98	68.8 Å²	68.8	52%	0.524	35%	0.349	S	S	.	.	S	Bend	trans	61.2	-40.4	-177.6	-46.9	-30.3	0	0	0	117.2	Y776 K800	Y776-D796 VanDerWaalsContact CE2-C 3.45Å; Y776-D796 WeakPolarHBondContact CE2-O 3.44Å; D796-K800 HydrophobicContact CB-CD 4.22Å; D796-K800 IonicContact OD2-NZ 2.67Å
797	E	79.5	Confident	81.4	Confident	94 Å²	94	65.5 Å²	65.5	44%	0.439	35%	0.349	S	S	.	.	S	Bend	trans	-140	153.4	-177	-69.7	163.4	-115.4	0	0	109.6	V795 E799 K800	V795-E797 PolarHBondContact O-N 2.79Å; E797-E799 VanDerWaalsContact C-N 3.29Å; E797-E799 PolarHBondContact O-N 3.16Å; E797-K800 HydrophobicContact CB-CB 4.31Å; E797-K800 HydrophobicContact CB-CD 4.02Å; E797-K800 HydrophobicContact CB-CG 4.16Å; E797-K800 HydrophobicContact CG-CD 4.32Å; E797-K800 PolarHBondContact O-N 3.39Å; E797-K800 WeakPolarHBondContact OE1-CE 3.37Å; E797-K800 IonicContact OE1-NZ 2.89Å; E797-K800 PolarHBondContact OE1-NZ 3.14Å
798	P	80.5	Confident	80.7	Confident	35 Å²	35	68.1 Å²	68.1	23%	0.227	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-39.2	-175.9	-20	29.3	0	0	0	113.6	Y776 H788 C794	Y776-P798 HydrophobicContact CE1-CG 4.04Å; H788-P798 HydrophobicContact CB-CB 4.27Å; H788-P798 WeakPolarHBondContact CB-O 3.32Å; H788-P798 PolarHBondContact N-O 3.17Å; C794-P798 WeakPolarHBondContact CB-O 2.98Å
799	E	75.6	Confident	79.9	Confident	97 Å²	97	67.6 Å²	67.6	45%	0.453	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-21.7	-174.6	-64.8	67.4	-146.8	0	0	113.4	H788 E797 C801	H788-E799 HydrophobicContact CB-CG 4.39Å; H788-E799 IonicContact CD2-OE1 2.62Å; E797-E799 VanDerWaalsContact C-N 3.29Å; E797-E799 PolarHBondContact O-N 3.16Å; E799-C801 PolarHBondContact O-N 3.07Å
800	K	80.3	Confident	79.3	Confident	86 Å²	86	67.1 Å²	67.1	37%	0.374	35%	0.354	S	S	.	.			trans	-75.2	83.9	178.9	-83.8	-179.3	174.8	167.8	0	110.4	C794 V795 D796 E797 G813	C794-K800 CarbonylContact C-O 3.57Å; C794-K800 WeakPolarHBondContact CA-O 3.48Å; C794-K800 VanDerWaalsContact CB-O 3.26Å; C794-K800 WeakPolarHBondContact CB-O 3.23Å; V795-K800 PolarHBondContact N-O 2.79Å; V795-K800 WeakPolarHBondContact O-CB 3.09Å; V795-K800 WeakPolarHBondContact O-CD 3.28Å; D796-K800 HydrophobicContact CB-CD 4.22Å; D796-K800 IonicContact OD2-NZ 2.67Å; E797-K800 HydrophobicContact CB-CB 4.31Å; E797-K800 HydrophobicContact CB-CD 4.02Å; E797-K800 HydrophobicContact CB-CG 4.16Å; E797-K800 HydrophobicContact CG-CD 4.32Å; E797-K800 PolarHBondContact O-N 3.39Å; E797-K800 WeakPolarHBondContact OE1-CE 3.37Å; E797-K800 IonicContact OE1-NZ 2.89Å; E797-K800 PolarHBondContact OE1-NZ 3.14Å; K800-G813 CarbonylContact C-O 3.59Å; K800-G813 WeakPolarHBondContact CA-O 3.33Å
801	C	81.1	Confident	78.6	Confident	6 Å²	6	67.7 Å²	67.7	4%	0.041	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	148.4	-176	-153.1	0	0	0	0	113.1	C791 K793 E799 V803 L810 G813 C815	C791-C801 WeakPolarHBondContact CA-SG 3.49Å; C791-C801 HydrophobicContact CB-CB 3.86Å; C791-C801 WeakPolarHBondContact CB-SG 3.1Å; C791-C801 WeakPolarHBondContact SG-CA 3.06Å; C791-C801 WeakPolarHBondContact SG-CB 3.41Å; C791-C801 CovalentContact SG-SG 2.03Å; C791-C801 PolarHBondContact SG-SG 2.82Å; K793-C801 PolarHBondContact O-SG 2.82Å; E799-C801 PolarHBondContact O-N 3.07Å; C801-V803 VanDerWaalsContact SG-C 3.51Å; C801-V803 PolarHBondContact SG-O 3.12Å; C801-L810 HydrophobicContact CB-CD1 4.15Å; C801-L810 VanDerWaalsContact O-CD1 3.29Å; C801-L810 WeakPolarHBondContact O-CD1 3.12Å; C801-G813 PolarHBondContact N-O 3.35Å; C801-C815 VanDerWaalsContact CB-SG 3.54Å; C801-C815 PolarHBondContact SG-SG 3Å
802	T	81.3	Confident	77.6	Confident	71 Å²	71	79.9 Å²	79.9	44%	0.436	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	-20.8	171	56.7	0	0	0	0	112.8	K793 V795	K793-T802 PolarHBondContact O-N 3.09Å; K793-T802 PolarHBondContact O-OG1 2.84Å; K793-T802 VanDerWaalsContact O-OG1 3.08Å; V795-T802 HydrophobicContact CB-CG2 4.41Å; V795-T802 HydrophobicContact CG2-CG2 3.66Å
803	V	82.9	Confident	76.7	Confident	65 Å²	65	76.8 Å²	76.8	39%	0.394	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	119.7	170.8	-175.6	0	0	0	0	108.8	K792 K793 C801	K792-V803 VanDerWaalsContact CA-O 3.31Å; K792-V803 WeakPolarHBondContact CA-O 3.2Å; K792-V803 HydrophobicContact CB-CB 4.45Å; K792-V803 HydrophobicContact CB-CG1 4.24Å; K792-V803 WeakPolarHBondContact CB-O 3.26Å; K792-V803 HydrophobicContact CD-CG1 4.3Å; K792-V803 PolarHBondContact N-O 2.79Å; K793-V803 HydrophobicContact CB-CB 4.1Å; K793-V803 HydrophobicContact CB-CG2 4.22Å; K793-V803 HydrophobicContact CD-CB 4.49Å; K793-V803 HydrophobicContact CD-CG2 3.99Å; K793-V803 HydrophobicContact CG-CB 4.31Å; K793-V803 HydrophobicContact CG-CG2 4.34Å; K793-V803 PolarHBondContact N-O 3.17Å; K793-V803 PolarHBondContact O-N 2.93Å; C801-V803 VanDerWaalsContact SG-C 3.51Å; C801-V803 PolarHBondContact SG-O 3.12Å
804	C	82.5	Confident	75.9	Confident	17 Å²	17	74.1 Å²	74.1	12%	0.115	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	164.9	179.4	-62.3	0	0	0	0	113	K792 F808 C815	K792-C804 WeakPolarHBondContact CB-O 3.02Å; K792-C804 WeakPolarHBondContact CD-O 3Å; C804-F808 HydrophobicContact CB-CB 4.02Å; C804-F808 WeakPolarHBondContact CB-O 3.42Å; C804-C815 WeakPolarHBondContact CA-SG 3.3Å; C804-C815 HydrophobicContact CB-CB 3.89Å; C804-C815 WeakPolarHBondContact CB-SG 3.35Å; C804-C815 WeakPolarHBondContact SG-CA 3.35Å; C804-C815 WeakPolarHBondContact SG-CB 3.41Å; C804-C815 CovalentContact SG-SG 2.03Å; C804-C815 PolarHBondContact SG-SG 2.84Å
805	K	79.3	Confident	75.5	Confident	95 Å²	95	74.6 Å²	74.6	41%	0.413	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-80.6	160.7	163.1	-68.7	179.3	-177.4	161.1	0	109.8	P789 S790 C791 K792 F808	P789-K805 WeakPolarHBondContact O-CD 3.33Å; P789-K805 WeakPolarHBondContact O-CE 3.5Å; P789-K805 PolarHBondContact O-NZ 2.98Å; S790-K805 PolarHBondContact O-N 3.21Å; S790-K805 VanDerWaalsContact O-N 3.1Å; C791-K805 WeakPolarHBondContact O-CE 3.04Å; K792-K805 HydrophobicContact CB-CG 3.99Å; K792-K805 HydrophobicContact CG-CG 4.45Å; K805-F808 PolarHBondContact O-N 2.81Å
806	E	77.7	Confident	74.8	Confident	165 Å²	165	73.4 Å²	73.4	77%	0.771	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	139.8	179.3	-72.1	126	-127.1	0	0	111.4	K792	K792-E806 IonicContact NZ-OE1 3.05Å; K792-E806 PolarHBondContact NZ-OE1 3.29Å
807	G	67.2	Low	74.5	Confident	48 Å²	48	71.8 Å²	71.8	50%	0.495	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.9	7.9	-171.2	0	0	0	0	0	115.3	D818	G807-D818 WeakPolarHBondContact CA-OD2 3.28Å
808	F	76.2	Confident	74	Confident	76 Å²	76	71.2 Å²	71.2	33%	0.333	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	132.9	175.3	-60	-101.6	0	0	0	112.3	C804 K805 C815 I816 P817 D818	C804-F808 HydrophobicContact CB-CB 4.02Å; C804-F808 WeakPolarHBondContact CB-O 3.42Å; K805-F808 PolarHBondContact O-N 2.81Å; F808-C815 HydrophobicContact CB-CB 3.89Å; F808-C815 HydrophobicContact CD1-CB 4.31Å; F808-C815 HydrophobicContact CG-CB 4.33Å; F808-I816 CarbonylContact C-O 3.48Å; F808-I816 WeakPolarHBondContact CA-O 3.14Å; F808-I816 WeakPolarHBondContact CB-O 3.15Å; F808-P817 HydrophobicContact CD1-CG 4.49Å; F808-P817 HydrophobicContact CE1-CG 4.38Å; F808-D818 PolarHBondContact N-OD2 2.88Å; F808-D818 VanDerWaalsContact N-OD2 3.15Å
809	S	68.5	Low	73.5	Confident	61 Å²	61	71.6 Å²	71.6	43%	0.427	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	152.2	168.7	-85.6	0	0	0	0	112.3	C815 I816 D818	S809-C815 WeakPolarHBondContact O-CA 3.46Å; S809-I816 PolarHBondContact N-O 3.15Å; S809-I816 PolarHBondContact O-N 3.35Å; S809-D818 WeakPolarHBondContact CB-OD1 3.41Å; S809-D818 PolarHBondContact N-OD1 3.48Å; S809-D818 VanDerWaalsContact N-OD1 3.11Å; S809-D818 PolarHBondContact OG-OD1 3.08Å
810	L	69.2	Low	73.5	Confident	87 Å²	87	74.5 Å²	74.5	46%	0.455	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	112.6	178.1	-176.7	66.9	0	0	0	111.2	C801	C801-L810 HydrophobicContact CB-CD1 4.15Å; C801-L810 VanDerWaalsContact O-CD1 3.29Å; C801-L810 WeakPolarHBondContact O-CD1 3.12Å
811	A	63.8	Low	73	Confident	34 Å²	34	76.1 Å²	76.1	28%	0.281	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	125.4	175.8	0	0	0	0	0	111.2	G813 S814 I816	A811-G813 PolarHBondContact O-N 2.66Å; A811-S814 PolarHBondContact N-O 2.89Å; A811-S814 PolarHBondContact O-N 3.23Å; A811-I816 HydrophobicContact CB-CD1 3.53Å; A811-I816 HydrophobicContact CB-CG1 3.75Å; A811-I816 HydrophobicContact CB-CG2 4.19Å
812	R	64.6	Low	72.7	Confident	259 Å²	259	77.1 Å²	77.1	98%	0.977	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	27.2	176.6	-59.1	-176.8	177.4	173.2	1.4	115.2
813	G	65.9	Low	72.6	Confident	29 Å²	29	75.6 Å²	75.6	30%	0.299	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	89	8.6	-178.4	0	0	0	0	0	115	K800 C801 A811	K800-G813 CarbonylContact C-O 3.59Å; K800-G813 WeakPolarHBondContact CA-O 3.33Å; C801-G813 PolarHBondContact N-O 3.35Å; A811-G813 PolarHBondContact O-N 2.66Å
814	S	69.1	Low	72.4	Confident	60 Å²	60	74.4 Å²	74.4	42%	0.42	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	154.8	173.3	-61.6	0	0	0	0	111	A811	A811-S814 PolarHBondContact N-O 2.89Å; A811-S814 PolarHBondContact O-N 3.23Å
815	C	76.8	Confident	72	Confident	17 Å²	17	76.3 Å²	76.3	12%	0.115	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	112.2	178.9	-65	0	0	0	0	110.5	C801 C804 F808 S809	C801-C815 VanDerWaalsContact CB-SG 3.54Å; C801-C815 PolarHBondContact SG-SG 3Å; C804-C815 WeakPolarHBondContact CA-SG 3.3Å; C804-C815 HydrophobicContact CB-CB 3.89Å; C804-C815 WeakPolarHBondContact CB-SG 3.35Å; C804-C815 WeakPolarHBondContact SG-CA 3.35Å; C804-C815 WeakPolarHBondContact SG-CB 3.41Å; C804-C815 CovalentContact SG-SG 2.03Å; C804-C815 PolarHBondContact SG-SG 2.84Å; F808-C815 HydrophobicContact CB-CB 3.89Å; F808-C815 HydrophobicContact CD1-CB 4.31Å; F808-C815 HydrophobicContact CG-CB 4.33Å; S809-C815 WeakPolarHBondContact O-CA 3.46Å
816	I	71.9	Confident	71.5	Confident	41 Å²	41	73 Å²	73	21%	0.21	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	153	174.6	63.1	167.1	0	0	0	109.9	F808 S809 A811 F825	F808-I816 CarbonylContact C-O 3.48Å; F808-I816 WeakPolarHBondContact CA-O 3.14Å; F808-I816 WeakPolarHBondContact CB-O 3.15Å; S809-I816 PolarHBondContact N-O 3.15Å; S809-I816 PolarHBondContact O-N 3.35Å; A811-I816 HydrophobicContact CB-CD1 3.53Å; A811-I816 HydrophobicContact CB-CG1 3.75Å; A811-I816 HydrophobicContact CB-CG2 4.19Å; I816-F825 HydrophobicContact CB-CE1 4.46Å; I816-F825 HydrophobicContact CB-CZ 4.39Å; I816-F825 HydrophobicContact CD1-CB 4.17Å; I816-F825 HydrophobicContact CD1-CD1 3.96Å; I816-F825 HydrophobicContact CD1-CG 3.98Å; I816-F825 HydrophobicContact CG2-CE1 4.1Å; I816-F825 HydrophobicContact CG2-CZ 4.27Å
817	P	70	Confident	70.5	Confident	65 Å²	65	69.6 Å²	69.6	42%	0.422	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	148.2	175	-21.6	33.9	0	0	0	112.1	F808	F808-P817 HydrophobicContact CD1-CG 4.49Å; F808-P817 HydrophobicContact CE1-CG 4.38Å
818	D	68.7	Low	70.3	Confident	82 Å²	82	75.8 Å²	75.8	44%	0.439	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-72.1	133.8	171.5	-62.2	-52.1	0	0	0	110.7	G807 F808 S809	G807-D818 WeakPolarHBondContact CA-OD2 3.28Å; F808-D818 PolarHBondContact N-OD2 2.88Å; F808-D818 VanDerWaalsContact N-OD2 3.15Å; S809-D818 WeakPolarHBondContact CB-OD1 3.41Å; S809-D818 PolarHBondContact N-OD1 3.48Å; S809-D818 VanDerWaalsContact N-OD1 3.11Å; S809-D818 PolarHBondContact OG-OD1 3.08Å
819	C	70.1	Confident	69.7	Low	43 Å²	43	76.8 Å²	76.8	29%	0.291	42%	0.424	S	S	.	.			trans	-105.1	146.2	178.7	-73.9	0	0	0	0	111.9	C832	C819-C832 WeakPolarHBondContact CA-SG 3.44Å; C819-C832 HydrophobicContact CB-CB 3.85Å; C819-C832 WeakPolarHBondContact CB-SG 3.17Å; C819-C832 WeakPolarHBondContact SG-CB 3.28Å; C819-C832 CovalentContact SG-SG 2.04Å; C819-C832 PolarHBondContact SG-SG 3.3Å
820	E	76.5	Confident	69.5	Low	158 Å²	158	80.2 Å²	80.2	74%	0.738	44%	0.436	S	S	*	.			trans	-75.9	150.7	-177.9	-63.9	-169	151.2	0	0	112.8	G822 T823	E820-G822 PolarHBondContact O-N 3.34Å; E820-T823 PolarHBondContact N-OG1 3.45Å; E820-T823 PolarHBondContact O-N 3.11Å; E820-T823 PolarHBondContact O-OG1 3.47Å
821	P	70.1	Confident	69.9	Low	119 Å²	119	83.5 Å²	83.5	77%	0.773	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	136.8	175.2	-25.7	35.1	0	0	0	112.5
822	G	74.1	Confident	70.6	Confident	27 Å²	27	84.5 Å²	84.5	28%	0.278	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.9	-4.2	-167.8	0	0	0	0	0	114.4	E820 C835 G840	E820-G822 PolarHBondContact O-N 3.34Å; G822-C835 VanDerWaalsContact C-SG 3.55Å; G822-C835 WeakPolarHBondContact O-CB 3.31Å; G822-C835 PolarHBondContact O-N 3.46Å; G822-C835 PolarHBondContact O-SG 2.89Å; G822-G840 PolarHBondContact N-O 2.89Å
823	T	80.3	Confident	71.4	Confident	40 Å²	40	72.7 Å²	72.7	25%	0.245	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	158.7	173.5	69.8	0	0	0	0	112.8	E820 C832 G833	E820-T823 PolarHBondContact N-OG1 3.45Å; E820-T823 PolarHBondContact O-N 3.11Å; E820-T823 PolarHBondContact O-OG1 3.47Å; T823-C832 HydrophobicContact CG2-CB 4.46Å; T823-G833 CarbonylContact C-O 3.56Å; T823-G833 WeakPolarHBondContact CA-O 3.39Å; T823-G833 WeakPolarHBondContact CB-O 3.41Å
824	Y	77.3	Confident	72.3	Confident	40 Å²	40	79.1 Å²	79.1	16%	0.157	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	156.4	171.1	72.4	-79.1	0	0	0	110.1	D826 C832 G833 E834 P845	Y824-D826 HydrophobicContact CE2-CB 4.03Å; Y824-D826 PolarHBondContact O-N 3.22Å; Y824-C832 CarbonylContact O-C 3.51Å; Y824-C832 VanDerWaalsContact O-CA 3.28Å; Y824-C832 WeakPolarHBondContact O-CA 3.04Å; Y824-G833 VanDerWaalsContact CD1-O 3.24Å; Y824-G833 WeakPolarHBondContact CD1-O 3.44Å; Y824-G833 PolarHBondContact N-O 3.19Å; Y824-G833 PolarHBondContact O-N 3.22Å; Y824-E834 WeakPolarHBondContact CE1-O 3.41Å; Y824-P845 HydrophobicContact CE1-CB 3.97Å; Y824-P845 HydrophobicContact CE1-CG 4.43Å; Y824-P845 WeakPolarHBondContact OH-CD 3.08Å
825	F	74.9	Confident	73.1	Confident	57 Å²	57	77 Å²	77	25%	0.25	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	108.2	176	-177	-100.1	0	0	0	111.1	I816 S827 I830	I816-F825 HydrophobicContact CB-CE1 4.46Å; I816-F825 HydrophobicContact CB-CZ 4.39Å; I816-F825 HydrophobicContact CD1-CB 4.17Å; I816-F825 HydrophobicContact CD1-CD1 3.96Å; I816-F825 HydrophobicContact CD1-CG 3.98Å; I816-F825 HydrophobicContact CG2-CE1 4.1Å; I816-F825 HydrophobicContact CG2-CZ 4.27Å; F825-S827 PolarHBondContact O-N 3.08Å; F825-I830 HydrophobicContact CZ-CG2 4.12Å
826	D	68.7	Low	73.7	Confident	26 Å²	26	78.9 Å²	78.9	14%	0.139	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	112.5	172.9	-178	-28.5	0	0	0	109.2	Y824 E828 L829 I830 R831	Y824-D826 HydrophobicContact CE2-CB 4.03Å; Y824-D826 PolarHBondContact O-N 3.22Å; D826-E828 VanDerWaalsContact C-N 3.35Å; D826-E828 WeakPolarHBondContact OD1-CA 3.49Å; D826-E828 PolarHBondContact OD1-N 3.22Å; D826-L829 HydrophobicContact CB-CB 4.29Å; D826-L829 PolarHBondContact OD1-N 3.48Å; D826-L829 VanDerWaalsContact OD2-CD1 3.28Å; D826-L829 WeakPolarHBondContact OD2-CD1 3.25Å; D826-L829 VanDerWaalsContact OD2-CG 3.28Å; D826-L829 WeakPolarHBondContact OD2-CG 3.16Å; D826-I830 VanDerWaalsContact O-CA 3.3Å; D826-I830 WeakPolarHBondContact O-CA 3.21Å; D826-I830 PolarHBondContact O-N 3.18Å; D826-R831 WeakPolarHBondContact CB-O 3.48Å; D826-R831 PolarHBondContact N-O 2.89Å; D826-R831 PolarHBondContact O-N 3.07Å
827	S	57.5	Low	74.6	Confident	92 Å²	92	83.5 Å²	83.5	64%	0.643	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-15.2	-178.5	56.3	0	0	0	0	114.7	F825	F825-S827 PolarHBondContact O-N 3.08Å
828	E	62.9	Low	75.5	Confident	179 Å²	179	80.9 Å²	80.9	84%	0.836	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-35.8	175.6	-60.3	-164.7	169.2	0	0	111.3	D826	D826-E828 VanDerWaalsContact C-N 3.35Å; D826-E828 WeakPolarHBondContact OD1-CA 3.49Å; D826-E828 PolarHBondContact OD1-N 3.22Å
829	L	63.9	Low	76.4	Confident	96 Å²	96	77.4 Å²	77.4	50%	0.503	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-7	178	-57.7	-174.5	0	0	0	114.2	D826 R831	D826-L829 HydrophobicContact CB-CB 4.29Å; D826-L829 PolarHBondContact OD1-N 3.48Å; D826-L829 VanDerWaalsContact OD2-CD1 3.28Å; D826-L829 WeakPolarHBondContact OD2-CD1 3.25Å; D826-L829 VanDerWaalsContact OD2-CG 3.28Å; D826-L829 WeakPolarHBondContact OD2-CG 3.16Å; L829-R831 VanDerWaalsContact C-N 3.29Å; L829-R831 HydrophobicContact CB-CG 3.87Å; L829-R831 PolarHBondContact O-N 3.11Å
830	I	63.6	Low	76.8	Confident	134 Å²	134	76.7 Å²	76.7	69%	0.687	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	46.9	178	-44.4	178	0	0	0	111.3	F825 D826	F825-I830 HydrophobicContact CZ-CG2 4.12Å; D826-I830 VanDerWaalsContact O-CA 3.3Å; D826-I830 WeakPolarHBondContact O-CA 3.21Å; D826-I830 PolarHBondContact O-N 3.18Å
831	R	76.6	Confident	77	Confident	156 Å²	156	71 Å²	71	59%	0.589	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-155.9	165.7	-178.7	67	-175.9	-175.1	159.6	4.7	110.7	D826 L829 G833	D826-R831 WeakPolarHBondContact CB-O 3.48Å; D826-R831 PolarHBondContact N-O 2.89Å; D826-R831 PolarHBondContact O-N 3.07Å; L829-R831 VanDerWaalsContact C-N 3.29Å; L829-R831 HydrophobicContact CB-CG 3.87Å; L829-R831 PolarHBondContact O-N 3.11Å; R831-G833 PolarHBondContact O-N 2.88Å
832	C	80.2	Confident	77.4	Confident	54 Å²	54	65.9 Å²	65.9	37%	0.365	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	124.3	168.9	-48.8	0	0	0	0	109.7	C819 T823 Y824	C819-C832 WeakPolarHBondContact CA-SG 3.44Å; C819-C832 HydrophobicContact CB-CB 3.85Å; C819-C832 WeakPolarHBondContact CB-SG 3.17Å; C819-C832 WeakPolarHBondContact SG-CB 3.28Å; C819-C832 CovalentContact SG-SG 2.04Å; C819-C832 PolarHBondContact SG-SG 3.3Å; T823-C832 HydrophobicContact CG2-CB 4.46Å; Y824-C832 CarbonylContact O-C 3.51Å; Y824-C832 VanDerWaalsContact O-CA 3.28Å; Y824-C832 WeakPolarHBondContact O-CA 3.04Å
833	G	79.4	Confident	77.4	Confident	12 Å²	12	69.5 Å²	69.5	12%	0.124	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	152.9	172.3	0	0	0	0	0	111	T823 Y824 R831	T823-G833 CarbonylContact C-O 3.56Å; T823-G833 WeakPolarHBondContact CA-O 3.39Å; T823-G833 WeakPolarHBondContact CB-O 3.41Å; Y824-G833 VanDerWaalsContact CD1-O 3.24Å; Y824-G833 WeakPolarHBondContact CD1-O 3.44Å; Y824-G833 PolarHBondContact N-O 3.19Å; Y824-G833 PolarHBondContact O-N 3.22Å; R831-G833 PolarHBondContact O-N 2.88Å
834	E	86.4	Confident	77.2	Confident	163 Å²	163	67.8 Å²	67.8	76%	0.762	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.8	140.3	-176.2	-64.4	-179.1	167.7	0	0	112.4	Y824	Y824-E834 WeakPolarHBondContact CE1-O 3.41Å
835	C	86.2	Confident	77.5	Confident	17 Å²	17	69.3 Å²	69.3	12%	0.115	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-67.7	159.4	170.4	-69.9	0	0	0	0	111.9	G822 H837 C839 C842	G822-C835 VanDerWaalsContact C-SG 3.55Å; G822-C835 WeakPolarHBondContact O-CB 3.31Å; G822-C835 PolarHBondContact O-N 3.46Å; G822-C835 PolarHBondContact O-SG 2.89Å; C835-H837 PolarHBondContact O-N 3.5Å; C835-C839 HydrophobicContact CB-CB 4.16Å; C835-C842 WeakPolarHBondContact CA-SG 3.35Å; C835-C842 HydrophobicContact CB-CB 3.79Å; C835-C842 WeakPolarHBondContact CB-SG 3.45Å; C835-C842 WeakPolarHBondContact SG-CB 3.37Å; C835-C842 PolarHBondContact SG-N 2.74Å; C835-C842 VanDerWaalsContact SG-N 3.38Å; C835-C842 CovalentContact SG-SG 2.03Å; C835-C842 PolarHBondContact SG-SG 3.33Å
836	H	88.9	Confident	77.6	Confident	56 Å²	56	67.8 Å²	67.8	26%	0.259	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-55.6	135.6	164.5	-165.6	-95.6	0	0	0	110	T838 C839 P845	H836-T838 PolarHBondContact ND1-OG1 3.14Å; H836-T838 PolarHBondContact O-N 3.44Å; H836-C839 WeakPolarHBondContact O-CB 3.38Å; H836-C839 PolarHBondContact O-N 2.93Å; H836-P845 WeakPolarHBondContact CB-O 3.45Å
837	H	89.6	Confident	78.1	Confident	138 Å²	138	73.2 Å²	73.2	64%	0.639	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-8.4	-169.8	77.3	85.9	0	0	0	115.9	C835	C835-H837 PolarHBondContact O-N 3.5Å
838	T	89.2	Confident	79.1	Confident	10 Å²	10	73.7 Å²	73.7	6%	0.061	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-14.1	174.4	57.2	0	0	0	0	113	H836 A854 F857 C864	H836-T838 PolarHBondContact ND1-OG1 3.14Å; H836-T838 PolarHBondContact O-N 3.44Å; T838-A854 WeakPolarHBondContact O-CB 3.44Å; T838-A854 PolarHBondContact O-N 3.48Å; T838-F857 HydrophobicContact CG2-CD1 4.01Å; T838-F857 HydrophobicContact CG2-CE1 3.65Å; T838-F857 HydrophobicContact CG2-CZ 4.09Å; T838-C864 WeakPolarHBondContact O-CB 3.3Å
839	C	87.1	Confident	79.8	Confident	9 Å²	9	69 Å²	69	6%	0.061	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	141.3	178.4	-39.7	0	0	0	0	110.7	C835 H836 C842 C850 H852	C835-C839 HydrophobicContact CB-CB 4.16Å; H836-C839 WeakPolarHBondContact O-CB 3.38Å; H836-C839 PolarHBondContact O-N 2.93Å; C839-C842 HydrophobicContact CB-CB 4.16Å; C839-C850 VanDerWaalsContact CA-SG 3.58Å; C839-C850 HydrophobicContact CB-CB 3.65Å; C839-C850 WeakPolarHBondContact CB-SG 3.44Å; C839-C850 WeakPolarHBondContact SG-CA 3.22Å; C839-C850 WeakPolarHBondContact SG-CB 3.32Å; C839-C850 CovalentContact SG-SG 2.03Å; C839-C850 PolarHBondContact SG-SG 2.92Å; C839-H852 CarbonylContact C-O 3.6Å; C839-H852 WeakPolarHBondContact CA-O 3.45Å
840	G	80.4	Confident	80.4	Confident	28 Å²	28	64.8 Å²	64.8	29%	0.289	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	-27.4	163.7	0	0	0	0	0	112.4	G822 H852	G822-G840 PolarHBondContact N-O 2.89Å; G840-H852 PolarHBondContact N-O 3.01Å
841	T	79.4	Confident	81	Confident	39 Å²	39	62.4 Å²	62.4	24%	0.239	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	149.4	167.7	54.1	0	0	0	0	109.1	I851 H852	T841-I851 PolarHBondContact O-N 3.48Å; T841-H852 PolarHBondContact N-O 2.83Å; T841-H852 PolarHBondContact O-N 2.85Å; T841-H852 WeakPolarHBondContact OG1-CB 3.35Å; T841-H852 PolarHBondContact OG1-CD2 2.86Å; T841-H852 PolarHBondContact OG1-N 3.34Å
842	C	78.1	Confident	81.3	Confident	10 Å²	10	57.9 Å²	57.9	7%	0.068	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	164.8	-173.9	65.8	0	0	0	0	111.9	C835 C839 G844 E849	C835-C842 WeakPolarHBondContact CA-SG 3.35Å; C835-C842 HydrophobicContact CB-CB 3.79Å; C835-C842 WeakPolarHBondContact CB-SG 3.45Å; C835-C842 WeakPolarHBondContact SG-CB 3.37Å; C835-C842 PolarHBondContact SG-N 2.74Å; C835-C842 VanDerWaalsContact SG-N 3.38Å; C835-C842 CovalentContact SG-SG 2.03Å; C835-C842 PolarHBondContact SG-SG 3.33Å; C839-C842 HydrophobicContact CB-CB 4.16Å; C842-G844 WeakPolarHBondContact CB-O 3.31Å; C842-G844 PolarHBondContact SG-O 2.71Å; C842-E849 CarbonylContact C-O 3.58Å; C842-E849 WeakPolarHBondContact CA-O 3.4Å; C842-E849 WeakPolarHBondContact CB-O 3.3Å
843	V	74.7	Confident	81.5	Confident	104 Å²	104	55.7 Å²	55.7	63%	0.63	30%	0.295	S	S	*	.	S	Bend	trans	-97.3	-8.4	167.7	-63.3	0	0	0	0	113.3	E849 I851	V843-E849 HydrophobicContact CG2-CB 3.85Å; V843-E849 HydrophobicContact CG2-CG 4.43Å; V843-E849 PolarHBondContact N-O 3.07Å; V843-I851 HydrophobicContact CG1-CD1 3.76Å; V843-I851 HydrophobicContact CG1-CG1 3.82Å
844	G	77.1	Confident	81.9	Confident	3 Å²	3	56.1 Å²	56.1	3%	0.031	30%	0.298	C	S	.	.	S	Bend	trans	-170.9	178.6	-176.5	0	0	0	0	0	112.2	C842 G846 E849	C842-G844 WeakPolarHBondContact CB-O 3.31Å; C842-G844 PolarHBondContact SG-O 2.71Å; G844-G846 VanDerWaalsContact C-N 3.26Å; G844-G846 PolarHBondContact O-N 2.99Å; G844-E849 VanDerWaalsContact CA-OE2 3.26Å; G844-E849 WeakPolarHBondContact CA-OE2 3.44Å
845	P	81.8	Confident	81.6	Confident	73 Å²	73	57.2 Å²	57.2	47%	0.474	30%	0.3	S	S	.	.	S	Bend	trans	-78.4	-4.5	-173	33.6	-34.8	0	0	0	114	Y824 H836 E849	Y824-P845 HydrophobicContact CE1-CB 3.97Å; Y824-P845 HydrophobicContact CE1-CG 4.43Å; Y824-P845 WeakPolarHBondContact OH-CD 3.08Å; H836-P845 WeakPolarHBondContact CB-O 3.45Å; P845-E849 WeakPolarHBondContact CD-OE2 3.37Å
846	G	77.4	Confident	81.4	Confident	25 Å²	25	62.8 Å²	62.8	26%	0.258	33%	0.329	S	S	.	.	S	Bend	trans	-80.1	146.7	-175.1	0	0	0	0	0	114.6	G844 E848 E849	G844-G846 VanDerWaalsContact C-N 3.26Å; G844-G846 PolarHBondContact O-N 2.99Å; G846-E848 PolarHBondContact O-N 3.45Å; G846-E849 WeakPolarHBondContact CA-OE2 3.42Å; G846-E849 PolarHBondContact N-OE2 2.74Å; G846-E849 PolarHBondContact O-N 3.09Å
847	R	78.9	Confident	81.4	Confident	139 Å²	139	62.2 Å²	62.2	53%	0.525	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-4.3	173	62.7	170.4	-71.4	-160.9	-0.8	115.5
848	E	78.5	Confident	81.3	Confident	102 Å²	102	57.2 Å²	57.2	48%	0.477	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.3	5.4	-178.6	-35.7	-157.7	165.5	0	0	111.2	G846 W862 K863	G846-E848 PolarHBondContact O-N 3.45Å; E848-W862 CarbonylContact C-O 3.52Å; E848-W862 WeakPolarHBondContact CA-O 3.3Å; E848-K863 HydrophobicContact CB-CG 4.17Å; E848-K863 HydrophobicContact CG-CD 4.04Å; E848-K863 HydrophobicContact CG-CG 4Å; E848-K863 WeakPolarHBondContact OE1-CE 3.34Å; E848-K863 IonicContact OE1-NZ 3.63Å; E848-K863 PolarHBondContact OE1-NZ 3.26Å; E848-K863 WeakPolarHBondContact OE2-CE 3.36Å; E848-K863 IonicContact OE2-NZ 3.85Å; E848-K863 PolarHBondContact OE2-NZ 3Å
849	E	77.5	Confident	81	Confident	81 Å²	81	58.8 Å²	58.8	38%	0.379	31%	0.308	S	S	.	.			trans	-111.9	16.2	-175.9	-60.2	-179.2	134.1	0	0	111.6	C842 V843 G844 P845 G846	C842-E849 CarbonylContact C-O 3.58Å; C842-E849 WeakPolarHBondContact CA-O 3.4Å; C842-E849 WeakPolarHBondContact CB-O 3.3Å; V843-E849 HydrophobicContact CG2-CB 3.85Å; V843-E849 HydrophobicContact CG2-CG 4.43Å; V843-E849 PolarHBondContact N-O 3.07Å; G844-E849 VanDerWaalsContact CA-OE2 3.26Å; G844-E849 WeakPolarHBondContact CA-OE2 3.44Å; P845-E849 WeakPolarHBondContact CD-OE2 3.37Å; G846-E849 WeakPolarHBondContact CA-OE2 3.42Å; G846-E849 PolarHBondContact N-OE2 2.74Å; G846-E849 PolarHBondContact O-N 3.09Å
850	C	77.6	Confident	80.7	Confident	8 Å²	8	60 Å²	60	5%	0.054	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	126	176.1	-57.6	0	0	0	0	111.1	C839 C864	C839-C850 VanDerWaalsContact CA-SG 3.58Å; C839-C850 HydrophobicContact CB-CB 3.65Å; C839-C850 WeakPolarHBondContact CB-SG 3.44Å; C839-C850 WeakPolarHBondContact SG-CA 3.22Å; C839-C850 WeakPolarHBondContact SG-CB 3.32Å; C839-C850 CovalentContact SG-SG 2.03Å; C839-C850 PolarHBondContact SG-SG 2.92Å; C850-C864 VanDerWaalsContact CB-SG 3.52Å
851	I	75.6	Confident	80.4	Confident	84 Å²	84	64.1 Å²	64.1	43%	0.431	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	-42.7	167.4	-57.5	161.1	0	0	0	109.4	T841 V843	T841-I851 PolarHBondContact O-N 3.48Å; V843-I851 HydrophobicContact CG1-CD1 3.76Å; V843-I851 HydrophobicContact CG1-CG1 3.82Å
852	H	83.3	Confident	79.8	Confident	60 Å²	60	71.5 Å²	71.5	28%	0.278	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	145.1	174.8	-60.7	-25.3	0	0	0	110.2	C839 G840 T841 P881 H882	C839-H852 CarbonylContact C-O 3.6Å; C839-H852 WeakPolarHBondContact CA-O 3.45Å; G840-H852 PolarHBondContact N-O 3.01Å; T841-H852 PolarHBondContact N-O 2.83Å; T841-H852 PolarHBondContact O-N 2.85Å; T841-H852 WeakPolarHBondContact OG1-CB 3.35Å; T841-H852 PolarHBondContact OG1-CD2 2.86Å; T841-H852 PolarHBondContact OG1-N 3.34Å; H852-P881 HydrophobicContact CB-CG 3.97Å; H852-H882 AromaticContact ND1-CE1 3.77Å
853	C	84.8	Confident	79.9	Confident	8 Å²	8	73.9 Å²	73.9	5%	0.054	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	150.3	176.4	-59.4	0	0	0	0	112.9	F857 C864 H882	C853-F857 HydrophobicContact CB-CB 3.91Å; C853-C864 WeakPolarHBondContact CA-SG 3.36Å; C853-C864 HydrophobicContact CB-CB 3.73Å; C853-C864 WeakPolarHBondContact CB-SG 3.44Å; C853-C864 VanDerWaalsContact SG-CA 3.57Å; C853-C864 WeakPolarHBondContact SG-CB 3.4Å; C853-C864 CovalentContact SG-SG 2.04Å; C853-C864 PolarHBondContact SG-SG 3.15Å; C853-H882 HydrophobicContact CB-CB 3.91Å; C853-H882 PolarHBondContact N-ND1 3.41Å
854	A	86.4	Confident	80.5	Confident	21 Å²	21	69.3 Å²	69.3	17%	0.174	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-66.2	161.1	170.3	0	0	0	0	0	110.5	T838 N856 F857	T838-A854 WeakPolarHBondContact O-CB 3.44Å; T838-A854 PolarHBondContact O-N 3.48Å; A854-N856 PolarHBondContact O-N 3.19Å; A854-F857 HydrophobicContact CB-CD2 3.93Å; A854-F857 HydrophobicContact CB-CE2 4.47Å; A854-F857 WeakPolarHBondContact O-CB 3.43Å; A854-F857 PolarHBondContact O-N 3.36Å
855	K	81.4	Confident	81	Confident	187 Å²	187	70.7 Å²	70.7	81%	0.813	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	133.9	179.5	-169.1	171.4	-178.4	177.4	0	110.4	F857	K855-F857 VanDerWaalsContact C-N 3.32Å
856	N	82.3	Confident	81.3	Confident	133 Å²	133	72 Å²	72	71%	0.711	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.1	4.4	-173.9	-46.5	-25.3	0	0	0	116.6	A854	A854-N856 PolarHBondContact O-N 3.19Å
857	F	88.3	Confident	81.7	Confident	45 Å²	45	73.9 Å²	73.9	20%	0.197	36%	0.363	C	S	.	.			trans	-98.3	160.5	168.4	-69.6	-94.3	0	0	0	111.5	T838 C853 A854 K855 C864 P866	T838-F857 HydrophobicContact CG2-CD1 4.01Å; T838-F857 HydrophobicContact CG2-CE1 3.65Å; T838-F857 HydrophobicContact CG2-CZ 4.09Å; C853-F857 HydrophobicContact CB-CB 3.91Å; A854-F857 HydrophobicContact CB-CD2 3.93Å; A854-F857 HydrophobicContact CB-CE2 4.47Å; A854-F857 WeakPolarHBondContact O-CB 3.43Å; A854-F857 PolarHBondContact O-N 3.36Å; K855-F857 VanDerWaalsContact C-N 3.32Å; F857-C864 HydrophobicContact CB-CB 4.19Å; F857-P866 HydrophobicContact CD1-CB 4.3Å; F857-P866 HydrophobicContact CE1-CB 4.03Å
858	H	86.8	Confident	82.1	Confident	32 Å²	32	68.5 Å²	68.5	15%	0.148	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	140.9	-177.6	-55.6	-19.1	0	0	0	110.1	C864 V865 K883	H858-C864 CarbonylContact O-C 3.53Å; H858-C864 WeakPolarHBondContact O-CA 3.38Å; H858-V865 HydrophobicContact CB-CG2 4.46Å; H858-V865 PolarHBondContact N-O 3.25Å; H858-V865 WeakPolarHBondContact O-CG2 3.45Å; H858-V865 PolarHBondContact O-N 2.62Å; H858-K883 CarbonylContact C-O 3.56Å; H858-K883 VanDerWaalsContact CA-O 3.27Å; H858-K883 WeakPolarHBondContact CA-O 3.4Å
859	F	82.8	Confident	82.3	Confident	43 Å²	43	65.4 Å²	65.4	19%	0.189	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	126.1	-179.8	-168.2	-98	0	0	0	110.9	W862 K883 V884 C885	F859-W862 HydrophobicContact CZ-CD2 4.32Å; F859-W862 HydrophobicContact CZ-CE3 4.01Å; F859-K883 PolarHBondContact N-O 2.84Å; F859-V884 HydrophobicContact CB-CG2 4.44Å; F859-V884 WeakPolarHBondContact O-CA 3.38Å; F859-C885 PolarHBondContact O-N 3.49Å
860	H	82.1	Confident	82.4	Confident	35 Å²	35	71.2 Å²	71.2	16%	0.162	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	123.4	177.9	-169.1	-7.5	0	0	0	108	W862 K863 V865 F872 C885	H860-W862 VanDerWaalsContact C-N 3.34Å; H860-W862 PolarHBondContact O-N 2.86Å; H860-K863 PolarHBondContact N-O 3.27Å; H860-K863 WeakPolarHBondContact O-CA 3.46Å; H860-K863 PolarHBondContact O-N 3.19Å; H860-V865 HydrophobicContact CB-CG2 3.86Å; H860-F872 AromaticContact CE1-CE1 3.98Å; H860-C885 HydrophobicContact CB-CB 3.9Å
861	D	73.6	Confident	82.5	Confident	114 Å²	114	72.6 Å²	72.6	61%	0.61	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	51.9	171.8	-57.9	10.2	0	0	0	113.3	K863	D861-K863 PolarHBondContact O-N 2.72Å
862	W	66.4	Low	82.8	Confident	195 Å²	195	71.3 Å²	71.3	74%	0.739	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.4	15.1	-178.3	-57.8	92.1	0	0	0	115.8	E848 F859 H860	E848-W862 CarbonylContact C-O 3.52Å; E848-W862 WeakPolarHBondContact CA-O 3.3Å; F859-W862 HydrophobicContact CZ-CD2 4.32Å; F859-W862 HydrophobicContact CZ-CE3 4.01Å; H860-W862 VanDerWaalsContact C-N 3.34Å; H860-W862 PolarHBondContact O-N 2.86Å
863	K	80.4	Confident	82.8	Confident	59 Å²	59	71.7 Å²	71.7	26%	0.257	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	147.9	-175.4	-59.2	171	-151.4	-156.9	0	110.2	E848 H860 D861	E848-K863 HydrophobicContact CB-CG 4.17Å; E848-K863 HydrophobicContact CG-CD 4.04Å; E848-K863 HydrophobicContact CG-CG 4Å; E848-K863 WeakPolarHBondContact OE1-CE 3.34Å; E848-K863 IonicContact OE1-NZ 3.63Å; E848-K863 PolarHBondContact OE1-NZ 3.26Å; E848-K863 WeakPolarHBondContact OE2-CE 3.36Å; E848-K863 IonicContact OE2-NZ 3.85Å; E848-K863 PolarHBondContact OE2-NZ 3Å; H860-K863 PolarHBondContact N-O 3.27Å; H860-K863 WeakPolarHBondContact O-CA 3.46Å; H860-K863 PolarHBondContact O-N 3.19Å; D861-K863 PolarHBondContact O-N 2.72Å
864	C	87.9	Confident	82.8	Confident	9 Å²	9	74.1 Å²	74.1	6%	0.061	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	109.7	175.7	-68.5	0	0	0	0	109.8	T838 C850 C853 F857 H858	T838-C864 WeakPolarHBondContact O-CB 3.3Å; C850-C864 VanDerWaalsContact CB-SG 3.52Å; C853-C864 WeakPolarHBondContact CA-SG 3.36Å; C853-C864 HydrophobicContact CB-CB 3.73Å; C853-C864 WeakPolarHBondContact CB-SG 3.44Å; C853-C864 VanDerWaalsContact SG-CA 3.57Å; C853-C864 WeakPolarHBondContact SG-CB 3.4Å; C853-C864 CovalentContact SG-SG 2.04Å; C853-C864 PolarHBondContact SG-SG 3.15Å; F857-C864 HydrophobicContact CB-CB 4.19Å; H858-C864 CarbonylContact O-C 3.53Å; H858-C864 WeakPolarHBondContact O-CA 3.38Å
865	V	87.6	Confident	82.7	Confident	31 Å²	31	75.2 Å²	75.2	19%	0.188	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	147.9	-173.7	-66.9	0	0	0	0	111.3	H858 H860 A867	H858-V865 HydrophobicContact CB-CG2 4.46Å; H858-V865 PolarHBondContact N-O 3.25Å; H858-V865 WeakPolarHBondContact O-CG2 3.45Å; H858-V865 PolarHBondContact O-N 2.62Å; H860-V865 HydrophobicContact CB-CG2 3.86Å; V865-A867 VanDerWaalsContact C-N 3.27Å; V865-A867 WeakPolarHBondContact CG2-O 3.33Å; V865-A867 PolarHBondContact O-N 2.88Å
866	P	87.4	Confident	82.8	Confident	100 Å²	100	73 Å²	73	65%	0.649	39%	0.386	S	S	*	.	S	Bend	trans	-75.7	-15.1	-178.3	30.7	-36	0	0	0	113.6	F857	F857-P866 HydrophobicContact CD1-CB 4.3Å; F857-P866 HydrophobicContact CE1-CB 4.03Å
867	A	86.8	Confident	82.2	Confident	65 Å²	65	70.9 Å²	70.9	54%	0.537	37%	0.373	S	S	.	.	S	Bend	trans	-153.2	156.2	174.4	0	0	0	0	0	109.3	V865	V865-A867 VanDerWaalsContact C-N 3.27Å; V865-A867 WeakPolarHBondContact CG2-O 3.33Å; V865-A867 PolarHBondContact O-N 2.88Å
868	C	86.9	Confident	80.9	Confident	26 Å²	26	75 Å²	75	18%	0.176	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-76.3	147.3	171.5	-58.7	0	0	0	0	110.8	F872 C885	C868-F872 HydrophobicContact CB-CB 3.96Å; C868-C885 WeakPolarHBondContact CA-SG 3.49Å; C868-C885 HydrophobicContact CB-CB 3.78Å; C868-C885 WeakPolarHBondContact CB-SG 3.29Å; C868-C885 WeakPolarHBondContact SG-CA 3.49Å; C868-C885 WeakPolarHBondContact SG-CB 3.23Å; C868-C885 CovalentContact SG-SG 2.04Å; C868-C885 PolarHBondContact SG-SG 2.98Å
869	G	82.1	Confident	79.6	Confident	38 Å²	38	77.5 Å²	77.5	39%	0.392	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-73.3	169.7	178.1	0	0	0	0	0	113.2	G871 F872	G869-G871 PolarHBondContact O-N 3.33Å; G869-F872 PolarHBondContact O-N 3.47Å
870	E	79.9	Confident	78.6	Confident	202 Å²	202	79.1 Å²	79.1	94%	0.944	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	133.4	175.8	-66.6	-166.7	157.5	0	0	111.3
871	G	79.2	Confident	78.1	Confident	37 Å²	37	82 Å²	82	38%	0.381	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.3	-0.4	-173.6	0	0	0	0	0	115.3	G869 R887 Y888	G869-G871 PolarHBondContact O-N 3.33Å; G871-R887 CarbonylContact O-C 3.5Å; G871-R887 VanDerWaalsContact O-CA 3.32Å; G871-R887 WeakPolarHBondContact O-CA 3.28Å; G871-R887 WeakPolarHBondContact O-CG 3.39Å; G871-Y888 WeakPolarHBondContact O-CD2 3.41Å; G871-Y888 PolarHBondContact O-N 3.42Å
872	F	82.9	Confident	78.3	Confident	58 Å²	58	77.3 Å²	77.3	25%	0.254	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	147.3	179.3	-64.2	-107.9	0	0	0	113.4	H860 C868 G869 C885 R886 R887	H860-F872 AromaticContact CE1-CE1 3.98Å; C868-F872 HydrophobicContact CB-CB 3.96Å; G869-F872 PolarHBondContact O-N 3.47Å; F872-C885 HydrophobicContact CB-CB 4.28Å; F872-C885 HydrophobicContact CD1-CB 4.48Å; F872-R886 CarbonylContact C-O 3.55Å; F872-R886 VanDerWaalsContact CA-O 3.22Å; F872-R886 WeakPolarHBondContact CA-O 3.31Å; F872-R887 HydrophobicContact CD1-CB 3.93Å; F872-R887 HydrophobicContact CD1-CG 4.48Å; F872-R887 HydrophobicContact CE1-CB 3.74Å; F872-R887 HydrophobicContact CE1-CG 4.19Å; F872-R887 HydrophobicContact CE2-CG 4.29Å; F872-R887 HydrophobicContact CG-CB 4.48Å; F872-R887 HydrophobicContact CZ-CB 4.14Å; F872-R887 HydrophobicContact CZ-CG 4.08Å
873	Y	83.3	Confident	79.1	Confident	68 Å²	68	71.6 Å²	71.6	27%	0.267	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	151.6	174.5	69.7	-89.1	0	0	0	111.6	E875 C885 R886 Y888	Y873-E875 HydrophobicContact CD2-CB 4.37Å; Y873-E875 HydrophobicContact CE2-CB 3.87Å; Y873-E875 HydrophobicContact CE2-CG 4.11Å; Y873-E875 WeakPolarHBondContact CE2-OE1 3.37Å; Y873-E875 PolarHBondContact OH-OE1 3.19Å; Y873-C885 WeakPolarHBondContact O-CA 3.27Å; Y873-R886 WeakPolarHBondContact CD1-O 3.26Å; Y873-R886 HydrophobicContact CE1-CB 4.15Å; Y873-R886 HydrophobicContact CE1-CG 4.19Å; Y873-R886 HydrophobicContact CE2-CB 4.4Å; Y873-R886 PolarHBondContact N-O 3.15Å; Y873-R886 PolarHBondContact O-N 2.98Å; Y873-R886 WeakPolarHBondContact OH-CD 3.38Å; Y873-Y888 AromaticContact CD1-CD1 3.76Å; Y873-Y888 HydrophobicContact CD1-CD1 3.76Å; Y873-Y888 AromaticContact CD1-CE1 3.78Å; Y873-Y888 HydrophobicContact CD1-CE1 3.78Å; Y873-Y888 HydrophobicContact CD1-CG 4.31Å; Y873-Y888 HydrophobicContact CE1-CD1 4.43Å; Y873-Y888 HydrophobicContact CG-CE1 4.17Å
874	P	84.9	Confident	79.3	Confident	59 Å²	59	70.5 Å²	70.5	38%	0.383	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	126.8	177.3	30.8	-33	0	0	0	112.2	K883	P874-K883 HydrophobicContact CB-CB 4.23Å; P874-K883 HydrophobicContact CB-CD 4.19Å
875	E	84.5	Confident	79.3	Confident	44 Å²	44	70.7 Å²	70.7	21%	0.206	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	147.7	-178.8	-163.7	172.7	-105.8	0	0	111.5	Y873 K883 V884 R886	Y873-E875 HydrophobicContact CD2-CB 4.37Å; Y873-E875 HydrophobicContact CE2-CB 3.87Å; Y873-E875 HydrophobicContact CE2-CG 4.11Å; Y873-E875 WeakPolarHBondContact CE2-OE1 3.37Å; Y873-E875 PolarHBondContact OH-OE1 3.19Å; E875-K883 CarbonylContact O-C 3.6Å; E875-K883 VanDerWaalsContact O-CA 3.22Å; E875-K883 WeakPolarHBondContact O-CA 3.26Å; E875-K883 WeakPolarHBondContact O-CB 3.24Å; E875-V884 PolarHBondContact N-O 3.49Å; E875-V884 PolarHBondContact O-N 3.27Å; E875-R886 HydrophobicContact CB-CB 4.46Å; E875-R886 IonicContact OE1-CZ 2.99Å; E875-R886 IonicContact OE1-NH1 3.35Å; E875-R886 PolarHBondContact OE1-NH1 3.27Å; E875-R886 WeakPolarHBondContact OE2-CD 3.26Å; E875-R886 IonicContact OE2-CZ 3.47Å; E875-R886 IonicContact OE2-NE 2.74Å; E875-R886 IonicContact OE2-NH1 2.61Å; E875-R886 PolarHBondContact OE2-NH1 3.27Å
876	E	82.1	Confident	79	Confident	139 Å²	139	75.7 Å²	75.7	65%	0.65	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.8	120.9	174.6	-76	173.4	-154.3	0	0	110.4	K883	E876-K883 HydrophobicContact CG-CD 3.99Å; E876-K883 HydrophobicContact CG-CG 3.89Å; E876-K883 WeakPolarHBondContact OE1-CE 3.23Å; E876-K883 IonicContact OE1-NZ 3.13Å; E876-K883 PolarHBondContact OE1-NZ 3.32Å
877	M	69.6	Low	78.8	Confident	89 Å²	89	79.8 Å²	79.8	44%	0.438	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-102.5	126.5	-178.8	-77.7	-71	-72.2	0	0	110.6	G879 L880 V884	M877-G879 PolarHBondContact O-N 3.23Å; M877-L880 HydrophobicContact CB-CB 4.45Å; M877-L880 HydrophobicContact CB-CD1 4.04Å; M877-L880 HydrophobicContact CB-CG 4.47Å; M877-L880 PolarHBondContact O-N 2.87Å; M877-L880 VanDerWaalsContact O-N 3.13Å; M877-V884 HydrophobicContact CB-CG2 4.48Å; M877-V884 HydrophobicContact CG-CB 4.42Å; M877-V884 HydrophobicContact CG-CG2 4.04Å
878	P	61.9	Low	78.3	Confident	132 Å²	132	83.9 Å²	83.9	86%	0.857	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	126.1	177.2	-26.8	35.2	0	0	0	112.2
879	G	59.4	Low	77.3	Confident	85 Å²	85	85.7 Å²	85.7	88%	0.876	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	92	-6	-179.8	0	0	0	0	0	115.9	M877	M877-G879 PolarHBondContact O-N 3.23Å
880	L	62.4	Low	75.6	Confident	76 Å²	76	89.9 Å²	89.9	40%	0.398	49%	0.489	S	S	.	.			trans	-104.1	138.3	173.1	-68.6	178.9	0	0	0	111.9	M877 H882 V884	M877-L880 HydrophobicContact CB-CB 4.45Å; M877-L880 HydrophobicContact CB-CD1 4.04Å; M877-L880 HydrophobicContact CB-CG 4.47Å; M877-L880 PolarHBondContact O-N 2.87Å; M877-L880 VanDerWaalsContact O-N 3.13Å; L880-H882 PolarHBondContact O-N 2.89Å; L880-V884 HydrophobicContact CD1-CG2 3.88Å
881	P	71.2	Confident	74	Confident	95 Å²	95	86.8 Å²	86.8	62%	0.617	49%	0.486	S	S	*	.	S	Bend	trans	-81	9.9	-179.2	33.2	-36.4	0	0	0	114	H852	H852-P881 HydrophobicContact CB-CG 3.97Å
882	H	77.2	Confident	71.9	Confident	17 Å²	17	88.9 Å²	88.9	8%	0.079	51%	0.507	C	S	.	.	S	Bend	trans	-151.2	162	-174.2	59.4	-84.6	0	0	0	110.9	H852 C853 L880	H852-H882 AromaticContact ND1-CE1 3.77Å; C853-H882 HydrophobicContact CB-CB 3.91Å; C853-H882 PolarHBondContact N-ND1 3.41Å; L880-H882 PolarHBondContact O-N 2.89Å
883	K	83.8	Confident	69.5	Low	75 Å²	75	90 Å²	90	33%	0.326	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	152.1	-179.7	-51	-161.8	-179.2	-148.4	0	111.7	H858 F859 P874 E875 E876	H858-K883 CarbonylContact C-O 3.56Å; H858-K883 VanDerWaalsContact CA-O 3.27Å; H858-K883 WeakPolarHBondContact CA-O 3.4Å; F859-K883 PolarHBondContact N-O 2.84Å; P874-K883 HydrophobicContact CB-CB 4.23Å; P874-K883 HydrophobicContact CB-CD 4.19Å; E875-K883 CarbonylContact O-C 3.6Å; E875-K883 VanDerWaalsContact O-CA 3.22Å; E875-K883 WeakPolarHBondContact O-CA 3.26Å; E875-K883 WeakPolarHBondContact O-CB 3.24Å; E876-K883 HydrophobicContact CG-CD 3.99Å; E876-K883 HydrophobicContact CG-CG 3.89Å; E876-K883 WeakPolarHBondContact OE1-CE 3.23Å; E876-K883 IonicContact OE1-NZ 3.13Å; E876-K883 PolarHBondContact OE1-NZ 3.32Å
884	V	85.2	Confident	67.5	Low	36 Å²	36	95 Å²	95	22%	0.218	56%	0.561	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-115.4	140.8	178.3	-174.3	0	0	0	0	109.4	F859 E875 M877 L880 R886	F859-V884 HydrophobicContact CB-CG2 4.44Å; F859-V884 WeakPolarHBondContact O-CA 3.38Å; E875-V884 PolarHBondContact N-O 3.49Å; E875-V884 PolarHBondContact O-N 3.27Å; M877-V884 HydrophobicContact CB-CG2 4.48Å; M877-V884 HydrophobicContact CG-CB 4.42Å; M877-V884 HydrophobicContact CG-CG2 4.04Å; L880-V884 HydrophobicContact CD1-CG2 3.88Å; V884-R886 PolarHBondContact O-N 3.18Å
885	C	86.6	Confident	65.1	Low	12 Å²	12	104 Å²	104	8%	0.081	59%	0.588	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-80.6	116.5	176.7	-67.4	0	0	0	0	111.2	F859 H860 C868 F872 Y873	F859-C885 PolarHBondContact O-N 3.49Å; H860-C885 HydrophobicContact CB-CB 3.9Å; C868-C885 WeakPolarHBondContact CA-SG 3.49Å; C868-C885 HydrophobicContact CB-CB 3.78Å; C868-C885 WeakPolarHBondContact CB-SG 3.29Å; C868-C885 WeakPolarHBondContact SG-CA 3.49Å; C868-C885 WeakPolarHBondContact SG-CB 3.23Å; C868-C885 CovalentContact SG-SG 2.04Å; C868-C885 PolarHBondContact SG-SG 2.98Å; F872-C885 HydrophobicContact CB-CB 4.28Å; F872-C885 HydrophobicContact CD1-CB 4.48Å; Y873-C885 WeakPolarHBondContact O-CA 3.27Å
886	R	82.1	Confident	62.7	Low	136 Å²	136	110.6 Å²	110.6	51%	0.513	62%	0.619	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-114.9	138.3	-178.1	-174.5	167.3	178.8	179	0.7	111.4	F872 Y873 E875 V884	F872-R886 CarbonylContact C-O 3.55Å; F872-R886 VanDerWaalsContact CA-O 3.22Å; F872-R886 WeakPolarHBondContact CA-O 3.31Å; Y873-R886 WeakPolarHBondContact CD1-O 3.26Å; Y873-R886 HydrophobicContact CE1-CB 4.15Å; Y873-R886 HydrophobicContact CE1-CG 4.19Å; Y873-R886 HydrophobicContact CE2-CB 4.4Å; Y873-R886 PolarHBondContact N-O 3.15Å; Y873-R886 PolarHBondContact O-N 2.98Å; Y873-R886 WeakPolarHBondContact OH-CD 3.38Å; E875-R886 HydrophobicContact CB-CB 4.46Å; E875-R886 IonicContact OE1-CZ 2.99Å; E875-R886 IonicContact OE1-NH1 3.35Å; E875-R886 PolarHBondContact OE1-NH1 3.27Å; E875-R886 WeakPolarHBondContact OE2-CD 3.26Å; E875-R886 IonicContact OE2-CZ 3.47Å; E875-R886 IonicContact OE2-NE 2.74Å; E875-R886 IonicContact OE2-NH1 2.61Å; E875-R886 PolarHBondContact OE2-NH1 3.27Å; V884-R886 PolarHBondContact O-N 3.18Å
887	R	83.5	Confident	60.4	Low	187 Å²	187	108.5 Å²	108.5	71%	0.706	63%	0.625	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-71.9	139.6	-175	-160.5	177.8	-178.6	175.6	1.2	111.8	G871 F872	G871-R887 CarbonylContact O-C 3.5Å; G871-R887 VanDerWaalsContact O-CA 3.32Å; G871-R887 WeakPolarHBondContact O-CA 3.28Å; G871-R887 WeakPolarHBondContact O-CG 3.39Å; F872-R887 HydrophobicContact CD1-CB 3.93Å; F872-R887 HydrophobicContact CD1-CG 4.48Å; F872-R887 HydrophobicContact CE1-CB 3.74Å; F872-R887 HydrophobicContact CE1-CG 4.19Å; F872-R887 HydrophobicContact CE2-CG 4.29Å; F872-R887 HydrophobicContact CG-CB 4.48Å; F872-R887 HydrophobicContact CZ-CB 4.14Å; F872-R887 HydrophobicContact CZ-CG 4.08Å
888	Y	76.2	Confident	58.5	Low	151 Å²	151	109.2 Å²	109.2	59%	0.592	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-63.4	137.6	169.4	-66.5	-72.7	0	0	0	110.9	G871 Y873	G871-Y888 WeakPolarHBondContact O-CD2 3.41Å; G871-Y888 PolarHBondContact O-N 3.42Å; Y873-Y888 AromaticContact CD1-CD1 3.76Å; Y873-Y888 HydrophobicContact CD1-CD1 3.76Å; Y873-Y888 AromaticContact CD1-CE1 3.78Å; Y873-Y888 HydrophobicContact CD1-CE1 3.78Å; Y873-Y888 HydrophobicContact CD1-CG 4.31Å; Y873-Y888 HydrophobicContact CE1-CD1 4.43Å; Y873-Y888 HydrophobicContact CG-CE1 4.17Å
889	G	65.1	Low	57.1	Low	63 Å²	63	109.3 Å²	109.3	65%	0.649	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-83.8	165.4	174.5	0	0	0	0	0	113.2
890	P	46.1	Very low	55.7	Low	127 Å²	127	110.9 Å²	110.9	83%	0.825	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-67.7	148.5	174.4	29.9	-34.9	0	0	0	111.5
891	P	46.4	Very low	54.2	Low	137 Å²	137	112.1 Å²	112.1	89%	0.89	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-78.6	131.8	-175.2	30.8	-34.6	0	0	0	112.7
892	G	35.4	Very low	52.3	Low	80 Å²	80	117.5 Å²	117.5	83%	0.825	67%	0.669	S	S	*	*			trans	173.9	124	169	0	0	0	0	0	114.5
893	G	33.4	Very low	50.1	Low	83 Å²	83	120 Å²	120	86%	0.856	70%	0.699	S	S	*	*			trans	90.8	107.3	168.1	0	0	0	0	0	115.4
894	E	40.7	Very low	47.7	Very low	172 Å²	172	123.2 Å²	123.2	80%	0.804	73%	0.725	S	S	*	*			trans	-70.3	142.7	172.6	-58.8	174.8	101.9	0	0	112.3
895	R	33.7	Very low	45.6	Very low	249 Å²	249	127.7 Å²	127.7	94%	0.94	76%	0.755	S	S	*	*			trans	-139.2	123.8	137.1	-72.6	-160.7	176.5	-160	-1.8	110
896	Q	34.6	Very low	42.9	Very low	182 Å²	182	130.9 Å²	130.9	85%	0.85	79%	0.79	S	S	*	*			trans	-69.1	135	176.8	-63.5	169.8	-2.7	0	0	110.3
897	A	34	Very low	40.4	Very low	95 Å²	95	128 Å²	128	79%	0.785	80%	0.802	S	S	*	*			trans	-111.8	119.6	166.1	0	0	0	0	0	108.5
898	A	30.3	Very low	37.8	Very low	103 Å²	103	128.4 Å²	128.4	85%	0.851	81%	0.812	S	S	*	*			trans	-73.1	129.2	-176.3	0	0	0	0	0	111.7	S900	A898-S900 PolarHBondContact O-N 2.75Å
899	V	31.6	Very low	35.6	Very low	134 Å²	134	126 Å²	126	81%	0.812	82%	0.817	S	S	*	*			trans	-77.6	107.5	173	178.1	0	0	0	0	109.5	S901	V899-S901 PolarHBondContact O-N 3.06Å
900	S	29.4	Very low	33.9	Very low	119 Å²	119	130.9 Å²	130.9	83%	0.832	83%	0.828	S	S	*	*			trans	-92.5	88.1	170.1	-179.5	0	0	0	0	110	A898	A898-S900 PolarHBondContact O-N 2.75Å
901	S	32.2	Very low	33.2	Very low	101 Å²	101	129.2 Å²	129.2	71%	0.706	82%	0.824	S	S	*	*			trans	-89.1	132.9	171.6	49.8	0	0	0	0	111.2	V899	V899-S901 PolarHBondContact O-N 3.06Å
902	K	31.5	Very low	32.4	Very low	208 Å²	208	127 Å²	127	90%	0.904	82%	0.817	S	S	*	*			trans	-146.4	143.5	171.2	-107.6	-172.4	177.9	-177.6	0	111.2
903	G	30	Very low	32.2	Very low	70 Å²	70	128.1 Å²	128.1	72%	0.722	81%	0.813	S	S	*	*			trans	92.5	138	-165.8	0	0	0	0	0	110.4
904	V	33.3	Very low	32	Very low	142 Å²	142	129.6 Å²	129.6	86%	0.861	81%	0.81	S	S	*	*			cis	-142	150.5	6.1	170.6	0	0	0	0	107.4
905	P	40.9	Very low	32.7	Very low	130 Å²	130	127.5 Å²	127.5	84%	0.844	81%	0.812	S	S	*	*			trans	-88.3	154.4	-162.8	34.3	-37	0	0	0	115.8
906	G	30	Very low	32.7	Very low	79 Å²	79	119.5 Å²	119.5	81%	0.814	81%	0.807	S	S	*	*			trans	150.8	136.3	157.2	0	0	0	0	0	116.1
907	G	29	Very low	32.6	Very low	75 Å²	75	116.2 Å²	116.2	77%	0.773	81%	0.811	S	S	*	*			trans	90.5	73.2	147.9	0	0	0	0	0	121.1
908	Q	29.9	Very low	32.5	Very low	196 Å²	196	115.1 Å²	115.1	92%	0.916	81%	0.808	S	S	*	*			trans	45.6	137.8	137.5	-61.5	-178.2	-11.1	0	0	123.8
909	S	29.1	Very low	32.8	Very low	101 Å²	101	120.2 Å²	120.2	71%	0.706	82%	0.815	S	S	*	*			trans	96.3	101.9	137.7	-163.6	0	0	0	0	122.3
910	L	31.2	Very low	33	Very low	166 Å²	166	117.2 Å²	117.2	87%	0.869	81%	0.811	S	S	*	*			trans	56.3	142.9	134.6	-56.4	173.3	0	0	0	121.1
911	A	31.2	Very low	33.2	Very low	91 Å²	91	120 Å²	120	75%	0.752	81%	0.813	S	S	*	*			cis	-170.3	179.7	-11.7	0	0	0	0	0	111.8
912	A	29.3	Very low	33.3	Very low	90 Å²	90	121.8 Å²	121.8	74%	0.744	81%	0.814	S	S	*	*			trans	86.9	77.3	153.8	0	0	0	0	0	124.1
913	S	29.9	Very low	33.4	Very low	105 Å²	105	119.3 Å²	119.3	73%	0.734	81%	0.805	S	S	*	*				48.8	119.9	115.8	62.7	0	0	0	0	126.9
914	S	30.6	Very low	33.4	Very low	114 Å²	114	123.7 Å²	123.7	80%	0.797	81%	0.806	S	S	*	*				81.8	167.7	120.3	-58.1	0	0	0	0	122.9
915	P	55.8	Low	34.4	Very low	128 Å²	128	122.3 Å²	122.3	83%	0.831	80%	0.8	S	S	*	*				-147.1	178.1	-52.4	44.1	-27.2	0	0	0	118.2
916	G	32.4	Very low	34.2	Very low	81 Å²	81	121.5 Å²	121.5	84%	0.835	79%	0.793	S	S	*	*			trans	98.9	158.2	155.1	0	0	0	0	0	118.5
917	A	32.3	Very low	34.1	Very low	113 Å²	113	124.4 Å²	124.4	93%	0.934	80%	0.795	S	S	*	*			cis	-173.5	173.3	-14.9	0	0	0	0	0	108.6
918	G	32.6	Very low	34.3	Very low	71 Å²	71	126.6 Å²	126.6	73%	0.732	79%	0.789	S	S	*	*			cis	166.2	135.7	-10.6	0	0	0	0	0	114.2
919	E	36.8	Very low	34.2	Very low	211 Å²	211	127.9 Å²	127.9	99%	0.986	79%	0.785	S	S	*	*			trans	62.2	159.4	164.8	-55.6	-173.2	126.2	0	0	120.8
920	G	35.2	Very low	34.1	Very low	71 Å²	71	128.2 Å²	128.2	73%	0.732	79%	0.788	S	S	*	*			cis	175.2	168.9	-8.4	0	0	0	0	0	116.2
921	M	34.2	Very low	35.5	Very low	177 Å²	177	125 Å²	125	87%	0.872	78%	0.777	S	S	*	*			trans	75.3	113.3	165.2	-63.9	-166.7	172.9	0	0	122.3
922	L	35.2	Very low	35.1	Very low	139 Å²	139	129.6 Å²	129.6	73%	0.728	78%	0.78	S	S	*	*				98.5	164.5	89.6	-76.8	172.3	0	0	0	114.4
923	H	31.6	Very low	35.2	Very low	155 Å²	155	130.4 Å²	130.4	72%	0.718	78%	0.776	S	S	*	*			cis	-144.6	-118.3	8.2	-147.4	-22.6	0	0	0	117.4
924	H	30.3	Very low	35.2	Very low	162 Å²	162	133.1 Å²	133.1	75%	0.75	78%	0.777	S	S	*	*			trans	-156.1	-177.7	-165.3	-100.6	-42.5	0	0	0	113
925	P	55.5	Low	35	Very low	114 Å²	114	134.3 Å²	134.3	74%	0.74	77%	0.773	S	S	*	*			cis	-140.2	-143.8	22	42.6	-19.7	0	0	0	116.2
926	T	35.8	Very low	33.6	Very low	112 Å²	112	135.4 Å²	135.4	69%	0.687	77%	0.772	S	S	*	*				-151.9	-162.6	-94	57.4	0	0	0	0	112.9
927	V	29.2	Very low	33.3	Very low	140 Å²	140	143.4 Å²	143.4	85%	0.848	78%	0.777	S	S	*	*			trans	100.7	138	174.4	176.3	0	0	0	0	115.1
928	D	31.9	Very low	32.9	Very low	122 Å²	122	141.3 Å²	141.3	65%	0.652	77%	0.766	S	S	*	*			cis	-167.2	163.7	-23.5	-176	26.4	0	0	0	111.2
929	R	28.4	Very low	32.5	Very low	223 Å²	223	146.4 Å²	146.4	84%	0.842	78%	0.775	S	S	*	*			trans	94.5	146.8	158.5	-52.3	-150	170	-165.6	-7.5	124.3
930	S	26.6	Very low	32.1	Very low	108 Å²	108	147.4 Å²	147.4	76%	0.755	77%	0.77	S	S	*	*			trans	-164.9	-152.3	-159.8	62.4	0	0	0	0	108.7
931	P	60.3	Low	33	Very low	99 Å²	99	148.5 Å²	148.5	64%	0.643	76%	0.764	S	S	*	*			cis	-136.1	-172.2	-24.4	37	-17.4	0	0	0	114.4
932	F	23.8	Very low	32.6	Very low	187 Å²	187	148.8 Å²	148.8	82%	0.82	76%	0.761	S	S	*	*			trans	154.5	106.8	139.4	-101.8	-107.4	0	0	0	109.3
933	T	31.2	Very low	32.3	Very low	107 Å²	107	147.6 Å²	147.6	66%	0.656	76%	0.759	S	S	*	*				69	147	75	56.7	0	0	0	0	116.1
934	E	29.4	Very low	32.2	Very low	161 Å²	161	147.2 Å²	147.2	75%	0.752	76%	0.757	S	S	*	*			cis	-172.5	176.9	-19.3	-176.5	174.3	-170.1	0	0	109.8
935	L	27.1	Very low	31.9	Very low	139 Å²	139	148.2 Å²	148.2	73%	0.728	76%	0.755	S	S	*	*			trans	72	149.1	170.5	-58.1	106.8	0	0	0	116.2
936	L	26.3	Very low	30.5	Very low	152 Å²	152	148.2 Å²	148.2	80%	0.796	75%	0.746	S	S	*	*			cis	-151.9	150.6	1.4	-130	163.1	0	0	0	110.5
937	R	24.9	Very low	30	Very low	249 Å²	249	149.4 Å²	149.4	94%	0.94	74%	0.744	S	S	*	*			trans	-155.4	137.1	164.3	-123.1	-176.3	-173.7	-177.3	3.1	111.7
938	G	24.6	Very low	29.9	Very low	68 Å²	68	149.4 Å²	149.4	70%	0.701	74%	0.738	S	S	*	*			trans	-172.2	112	171.9	0	0	0	0	0	114.1
939	L	25	Very low	29.5	Very low	178 Å²	178	148.9 Å²	148.9	93%	0.932	74%	0.742	S	S	*	*			trans	169.3	162.9	136.2	-90.3	165.6	0	0	0	111.1
940	R	26.5	Very low	29.3	Very low	232 Å²	232	149.9 Å²	149.9	88%	0.875	75%	0.746	S	S	*	*			trans	-164.1	169.1	-165.4	-116.8	-164.2	-172.4	-153.1	6.3	108.6
941	P	54.4	Low	29.2	Very low	94 Å²	94	149.9 Å²	149.9	61%	0.61	74%	0.741	S	S	*	*				-135.1	-147	-79.1	39.3	-17.4	0	0	0	112.2
942	F	26.9	Very low	27.9	Very low	184 Å²	184	151 Å²	151	81%	0.807	75%	0.749	S	S	*	*			trans	75.7	157.5	172.3	-66.6	-73.9	0	0	0	117.1
943	V	28.2	Very low	28	Very low	114 Å²	114	146.7 Å²	146.7	69%	0.691	75%	0.747	S	S	*	*			cis	-145.9	140.8	14	-146.3	0	0	0	0	113.4
944	H	28.7	Very low	28	Very low	147 Å²	147	148.9 Å²	148.9	68%	0.681	76%	0.76	S	S	*	*			trans	60.6	158.6	148.6	-80.5	21.1	0	0	0	121.4
945	W	25.2	Very low	27.8	Very low	182 Å²	182	144.8 Å²	144.8	69%	0.689	76%	0.762	S	S	*	*			cis	-158.6	160.3	-12.3	-127.9	26.4	0	0	0	112.3
946	M	25.1	Very low	27.9	Very low	115 Å²	115	148.5 Å²	148.5	57%	0.567	77%	0.766	S	S	*	*			trans	38.9	152.9	143.5	-71.7	-173.8	173.6	0	0	122.9
947	H	26.9	Very low	28.1	Very low	137 Å²	137	149.1 Å²	149.1	63%	0.634	77%	0.765	S	S	*	*			cis	-161.2	147.5	7.7	-125.7	-17.9	0	0	0	113.8
948	I	27.1	Very low	28.3	Very low	140 Å²	140	148.3 Å²	148.3	72%	0.718	76%	0.761	S	S	*	*			trans	62.9	139.4	141.1	-74.7	167.2	0	0	0	122.5
949	C	23.3	Very low	28.7	Very low	111 Å²	111	149.5 Å²	149.5	75%	0.75	77%	0.765	S	S	*	*			trans	-85.8	170.4	-178.9	-30	0	0	0	0	114.1
950	W	23.3	Very low	29.1	Very low	243 Å²	243	146 Å²	146	92%	0.92	76%	0.762	S	S	*	*				-158.4	175.9	122.4	-125.2	61.8	0	0	0	114.8
951	V	25.7	Very low	29.3	Very low	109 Å²	109	140.2 Å²	140.2	66%	0.661	76%	0.763	S	S	*	*			trans	-95.5	143.6	-164	-179.9	0	0	0	0	112.6
952	P	32.3	Very low	28.6	Very low	122 Å²	122	143.2 Å²	143.2	79%	0.792	81%	0.811	S	S	*	*			trans	-86.9	139.6	172.8	33.9	-33.6	0	0	0	113.2
953	A	26.6	Very low	28.7	Very low	96 Å²	96	141.2 Å²	141.2	79%	0.793	81%	0.812	S	S	*	*			trans	-139.1	125.7	172	0	0	0	0	0	112.8
954	V	29.5	Very low	28.7	Very low	153 Å²	153	142.6 Å²	142.6	93%	0.927	82%	0.818	S	S	*	*			trans	16.5	118.5	154.5	-169.6	0	0	0	0	119.3
955	G	26.3	Very low	28.7	Very low	76 Å²	76	142.4 Å²	142.4	78%	0.784	83%	0.826	S	S	*	*			trans	-161.6	145.8	161.6	0	0	0	0	0	112.3
956	R	29.3	Very low	28.9	Very low	217 Å²	217	140.1 Å²	140.1	82%	0.819	83%	0.834	S	S	*	*			trans	-124.2	149.8	-175.2	-69.2	-176	177.1	176.2	-0.2	113.5
957	H	29.6	Very low	29.1	Very low	165 Å²	165	141.6 Å²	141.6	76%	0.764	85%	0.85	S	S	*	*			trans	66	158.9	161	-57.7	-49.4	0	0	0	115.6
958	R	29.3	Very low	29.3	Very low	231 Å²	231	141.9 Å²	141.9	87%	0.872	87%	0.865	S	S	*	*			cis	-143.7	128.2	9	-129.6	166.3	-171	-178.5	2.5	106.9
959	A	32.8	Very low	29.5	Very low	93 Å²	93	142.1 Å²	142.1	77%	0.769	88%	0.875	S	S	*	*				75.6	114.9	102.7	0	0	0	0	0	118.2
960	A	34.2	Very low	29.9	Very low	106 Å²	106	144.5 Å²	144.5	88%	0.876	89%	0.885	S	S	*	*			trans	60.3	110.2	145.4	0	0	0	0	0	122.2
961	A	31.6	Very low	30.5	Very low	110 Å²	110	136.3 Å²	136.3	91%	0.909	88%	0.882	S	S	*	*				-170.7	143.1	121.7	0	0	0	0	0	109.9
962	G	38.6	Very low	30.9	Very low	157 Å²	157	138.7 Å²	138.7	100%	1.619	90%	0.902	S	S	*	*			trans	111.8	0	-178.6	0	0	0	0	0	112.7

Retrieved 962 of 962 residues in 2237.1 ms (Link to these results)

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