A0A096NL41_PAPAN Loading...

Adenylyl cyclase-associated protein

AlphaFold DB , UniProt , Accession A0A096NL41, Species PAPAN (Papio anubis, Olive baboon), Gene CAP2, Length 477 aa.

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(Predicted Aligned Error values between residue pairs)

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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	54.7	Low	71.3	Confident	214 Å²	214	122.5 Å²	122.5	100%	1.054	64%	0.644	S	S	*	*				0	-33.6	0	-73.3	-159.9	-83.1	0	0	114	N3 M4	M1-N3 VanDerWaalsContact C-N 3.29Å; M1-N3 PolarHBondContact O-N 2.98Å; M1-M4 PolarHBondContact O-N 3.34Å
2	A	55.4	Low	72.6	Confident	94 Å²	94	122.2 Å²	122.2	78%	0.777	64%	0.636	S	S	*	*	H	α-helix	trans	-63.2	-23.9	179.8	0	0	0	0	0	116
3	N	60	Low	73	Confident	145 Å²	145	123.3 Å²	123.3	78%	0.775	63%	0.627	S	S	*	*	H	α-helix	trans	-84.7	-14.4	-176.5	-138.6	1.2	0	0	0	114	M1	M1-N3 VanDerWaalsContact C-N 3.29Å; M1-N3 PolarHBondContact O-N 2.98Å
4	M	62.4	Low	73	Confident	142 Å²	142	118.4 Å²	118.4	70%	0.7	62%	0.615	S	S	*	*	H	α-helix	trans	-82.7	-35	173.7	-82.4	178.6	66.1	0	0	111.8	M1 G6 L7 V8	M1-M4 PolarHBondContact O-N 3.34Å; M4-G6 PolarHBondContact O-N 3.39Å; M4-L7 PolarHBondContact O-N 3.47Å; M4-L7 VanDerWaalsContact O-N 3.15Å; M4-V8 WeakPolarHBondContact O-CG2 3.25Å; M4-V8 PolarHBondContact O-N 3Å
5	Q	72.1	Confident	73.4	Confident	131 Å²	131	115 Å²	115	61%	0.612	60%	0.601	S	S	*	*	H	α-helix	trans	-60.3	-46	179.8	-142.3	82.5	23.3	0	0	111.6	L7 V8 E9	Q5-L7 PolarHBondContact O-N 3.11Å; Q5-V8 PolarHBondContact O-N 3.24Å; Q5-E9 PolarHBondContact O-N 3.35Å
6	G	79.4	Confident	73.4	Confident	34 Å²	34	112.2 Å²	112.2	35%	0.351	59%	0.594	S	S	.	*	H	α-helix	trans	-68.3	-22.9	178.3	0	0	0	0	0	114	M4 R10	M4-G6 PolarHBondContact O-N 3.39Å; G6-R10 VanDerWaalsContact O-CG 3.27Å; G6-R10 WeakPolarHBondContact O-CG 3.5Å; G6-R10 PolarHBondContact O-N 2.99Å
7	L	73.4	Confident	73.5	Confident	117 Å²	117	116.1 Å²	116.1	61%	0.613	60%	0.598	S	S	*	*	H	α-helix	trans	-78.9	-39.4	175.8	-127.6	143	0	0	0	110.9	M4 Q5 R10 L11	M4-L7 PolarHBondContact O-N 3.47Å; M4-L7 VanDerWaalsContact O-N 3.15Å; Q5-L7 PolarHBondContact O-N 3.11Å; L7-R10 PolarHBondContact O-N 3.03Å; L7-L11 WeakPolarHBondContact O-CB 3.39Å; L7-L11 PolarHBondContact O-N 3.28Å
8	V	80.6	Confident	73.1	Confident	72 Å²	72	116.7 Å²	116.7	44%	0.436	60%	0.602	S	S	.	*	H	α-helix	trans	-64.1	-46.9	173.9	173.7	0	0	0	0	110.9	M4 Q5 R10 L11 E12	M4-V8 WeakPolarHBondContact O-CG2 3.25Å; M4-V8 PolarHBondContact O-N 3Å; Q5-V8 PolarHBondContact O-N 3.24Å; V8-R10 VanDerWaalsContact C-N 3.28Å; V8-R10 PolarHBondContact O-N 2.84Å; V8-L11 WeakPolarHBondContact O-CB 3.28Å; V8-L11 PolarHBondContact O-N 2.69Å; V8-E12 HydrophobicContact CG1-CG 4.36Å; V8-E12 WeakPolarHBondContact O-CG 3.33Å; V8-E12 PolarHBondContact O-N 2.94Å
9	E	81.9	Confident	73.3	Confident	100 Å²	100	116.9 Å²	116.9	47%	0.467	60%	0.6	S	S	.	*	H	α-helix	trans	-62	-34.6	177.6	-75.4	-179.8	-171.5	0	0	113	Q5 R13	Q5-E9 PolarHBondContact O-N 3.35Å; E9-R13 VanDerWaalsContact O-CB 3.3Å; E9-R13 WeakPolarHBondContact O-CB 3.1Å; E9-R13 PolarHBondContact O-N 3.39Å
10	R	83.9	Confident	72.9	Confident	183 Å²	183	114.2 Å²	114.2	69%	0.691	59%	0.592	S	S	*	*	H	α-helix	trans	-70.5	-36	175.1	-77.1	175.9	66	-173.7	0.2	111.7	G6 L7 V8 A14	G6-R10 VanDerWaalsContact O-CG 3.27Å; G6-R10 WeakPolarHBondContact O-CG 3.5Å; G6-R10 PolarHBondContact O-N 2.99Å; L7-R10 PolarHBondContact O-N 3.03Å; V8-R10 VanDerWaalsContact C-N 3.28Å; V8-R10 PolarHBondContact O-N 2.84Å; R10-A14 WeakPolarHBondContact O-CB 3.34Å; R10-A14 PolarHBondContact O-N 3.11Å; R10-A14 VanDerWaalsContact O-N 3.09Å
11	L	80.3	Confident	72.3	Confident	116 Å²	116	114.1 Å²	114.1	61%	0.607	59%	0.592	S	S	*	*	H	α-helix	trans	-68.6	-46.1	176.6	-156	78.4	0	0	0	110.6	L7 V8 R13 A14 V15	L7-L11 WeakPolarHBondContact O-CB 3.39Å; L7-L11 PolarHBondContact O-N 3.28Å; V8-L11 WeakPolarHBondContact O-CB 3.28Å; V8-L11 PolarHBondContact O-N 2.69Å; L11-R13 VanDerWaalsContact C-N 3.32Å; L11-R13 PolarHBondContact O-N 3.28Å; L11-A14 WeakPolarHBondContact O-CB 3.47Å; L11-A14 PolarHBondContact O-N 2.79Å; L11-A14 VanDerWaalsContact O-N 3.1Å; L11-V15 WeakPolarHBondContact O-CG2 3.44Å; L11-V15 PolarHBondContact O-N 3.36Å
12	E	87.1	Confident	72.4	Confident	118 Å²	118	106.8 Å²	106.8	55%	0.551	56%	0.562	S	S	*	*	H	α-helix	trans	-58	-44.5	175.1	-72.9	175.9	169.2	0	0	111.2	V8 A14 V15 S16	V8-E12 HydrophobicContact CG1-CG 4.36Å; V8-E12 WeakPolarHBondContact O-CG 3.33Å; V8-E12 PolarHBondContact O-N 2.94Å; E12-A14 VanDerWaalsContact C-N 3.27Å; E12-A14 PolarHBondContact O-N 2.88Å; E12-V15 PolarHBondContact O-N 3.34Å; E12-S16 PolarHBondContact O-N 3.14Å; E12-S16 PolarHBondContact O-OG 2.99Å; E12-S16 VanDerWaalsContact O-OG 3.09Å
13	R	78.4	Confident	72.2	Confident	137 Å²	137	105.9 Å²	105.9	52%	0.517	56%	0.555	S	S	.	*	H	α-helix	trans	-66.6	-28.4	178	-152.5	178.6	-68.4	111.6	-3.8	113	E9 L11 R17	E9-R13 VanDerWaalsContact O-CB 3.3Å; E9-R13 WeakPolarHBondContact O-CB 3.1Å; E9-R13 PolarHBondContact O-N 3.39Å; L11-R13 VanDerWaalsContact C-N 3.32Å; L11-R13 PolarHBondContact O-N 3.28Å; R13-R17 WeakPolarHBondContact O-CG 3.38Å
14	A	72.5	Confident	71.7	Confident	55 Å²	55	106.9 Å²	106.9	46%	0.455	55%	0.554	S	S	.	*	H	α-helix	trans	-77	-39.7	173.5	0	0	0	0	0	111.6	R10 L11 E12 R17 L18	R10-A14 WeakPolarHBondContact O-CB 3.34Å; R10-A14 PolarHBondContact O-N 3.11Å; R10-A14 VanDerWaalsContact O-N 3.09Å; L11-A14 WeakPolarHBondContact O-CB 3.47Å; L11-A14 PolarHBondContact O-N 2.79Å; L11-A14 VanDerWaalsContact O-N 3.1Å; E12-A14 VanDerWaalsContact C-N 3.27Å; E12-A14 PolarHBondContact O-N 2.88Å; A14-R17 PolarHBondContact O-N 3.4Å; A14-L18 PolarHBondContact O-N 3.38Å
15	V	78.4	Confident	70.6	Confident	67 Å²	67	104.3 Å²	104.3	41%	0.406	55%	0.55	S	S	.	*	H	α-helix	trans	-64.1	-45.7	175.8	171.7	0	0	0	0	110.6	L11 E12 R17 L18 E19	L11-V15 WeakPolarHBondContact O-CG2 3.44Å; L11-V15 PolarHBondContact O-N 3.36Å; E12-V15 PolarHBondContact O-N 3.34Å; V15-R17 VanDerWaalsContact C-N 3.26Å; V15-R17 PolarHBondContact O-N 3.12Å; V15-L18 CarbonylContact O-C 3.59Å; V15-L18 WeakPolarHBondContact O-CB 3.38Å; V15-L18 PolarHBondContact O-N 2.94Å; V15-E19 HydrophobicContact CG1-CG 4.22Å; V15-E19 WeakPolarHBondContact O-CB 3.48Å; V15-E19 WeakPolarHBondContact O-CG 3.36Å; V15-E19 PolarHBondContact O-N 3.38Å
16	S	73.8	Confident	68.9	Low	70 Å²	70	105.2 Å²	105.2	49%	0.49	56%	0.555	S	S	.	*	H	α-helix	trans	-60.9	-33.3	176.7	-56.3	0	0	0	0	113.2	E12 S20	E12-S16 PolarHBondContact O-N 3.14Å; E12-S16 PolarHBondContact O-OG 2.99Å; E12-S16 VanDerWaalsContact O-OG 3.09Å; S16-S20 PolarHBondContact O-N 3.15Å; S16-S20 PolarHBondContact O-OG 3.38Å
17	R	75.8	Confident	66.7	Low	178 Å²	178	115.2 Å²	115.2	67%	0.672	58%	0.582	S	S	*	*	H	α-helix	trans	-72.4	-33.6	173.9	-75.5	178.6	176	-173.4	-1.8	112.5	R13 A14 V15 S20 L21	R13-R17 WeakPolarHBondContact O-CG 3.38Å; A14-R17 PolarHBondContact O-N 3.4Å; V15-R17 VanDerWaalsContact C-N 3.26Å; V15-R17 PolarHBondContact O-N 3.12Å; R17-S20 WeakPolarHBondContact CA-OG 3.12Å; R17-S20 PolarHBondContact O-OG 3.1Å; R17-L21 WeakPolarHBondContact O-CD1 3.18Å; R17-L21 VanDerWaalsContact O-CG 3.29Å; R17-L21 WeakPolarHBondContact O-CG 3.04Å; R17-L21 PolarHBondContact O-N 3.31Å
18	L	65.3	Low	64.7	Low	127 Å²	127	114.9 Å²	114.9	67%	0.665	59%	0.587	S	S	*	*	H	α-helix	trans	-73.3	-36.3	176.3	-145	78.1	0	0	0	111	A14 V15 L21 S22	A14-L18 PolarHBondContact O-N 3.38Å; V15-L18 CarbonylContact O-C 3.59Å; V15-L18 WeakPolarHBondContact O-CB 3.38Å; V15-L18 PolarHBondContact O-N 2.94Å; L18-L21 PolarHBondContact O-N 3.37Å; L18-S22 VanDerWaalsContact O-CB 3.22Å; L18-S22 WeakPolarHBondContact O-CB 3.19Å; L18-S22 PolarHBondContact O-N 3.41Å
19	E	76.9	Confident	62.9	Low	121 Å²	121	118 Å²	118	57%	0.565	61%	0.608	S	S	*	*	H	α-helix	trans	-67.8	-38	174.5	-72.5	175.2	165.1	0	0	112	V15 S22 A23	V15-E19 HydrophobicContact CG1-CG 4.22Å; V15-E19 WeakPolarHBondContact O-CB 3.48Å; V15-E19 WeakPolarHBondContact O-CG 3.36Å; V15-E19 PolarHBondContact O-N 3.38Å; E19-S22 PolarHBondContact O-N 3.38Å; E19-A23 WeakPolarHBondContact O-CB 3.35Å; E19-A23 PolarHBondContact O-N 3.1Å
20	S	65	Low	60.5	Low	63 Å²	63	116.9 Å²	116.9	44%	0.441	62%	0.623	S	S	.	*	H	α-helix	trans	-64.6	-40.2	173.2	60.4	0	0	0	0	112.5	S16 R17 A23 E24	S16-S20 PolarHBondContact O-N 3.15Å; S16-S20 PolarHBondContact O-OG 3.38Å; R17-S20 WeakPolarHBondContact CA-OG 3.12Å; R17-S20 PolarHBondContact O-OG 3.1Å; S20-A23 PolarHBondContact O-N 3.13Å; S20-E24 PolarHBondContact O-N 3.49Å
21	L	62.2	Low	57.8	Low	112 Å²	112	115.5 Å²	115.5	59%	0.586	63%	0.63	S	S	*	*	H	α-helix	trans	-72.6	-29.9	176.8	-68.9	169.4	0	0	0	112.5	R17 L18	R17-L21 WeakPolarHBondContact O-CD1 3.18Å; R17-L21 VanDerWaalsContact O-CG 3.29Å; R17-L21 WeakPolarHBondContact O-CG 3.04Å; R17-L21 PolarHBondContact O-N 3.31Å; L18-L21 PolarHBondContact O-N 3.37Å
22	S	54.9	Low	55.9	Low	60 Å²	60	115.7 Å²	115.7	42%	0.42	64%	0.64	S	S	.	*	H	α-helix	trans	-71.8	-38.4	174.2	178	0	0	0	0	112	L18 E19 E24 S25 H26	L18-S22 VanDerWaalsContact O-CB 3.22Å; L18-S22 WeakPolarHBondContact O-CB 3.19Å; L18-S22 PolarHBondContact O-N 3.41Å; E19-S22 PolarHBondContact O-N 3.38Å; S22-E24 VanDerWaalsContact C-N 3.25Å; S22-E24 PolarHBondContact O-N 2.84Å; S22-S25 PolarHBondContact O-N 3.14Å; S22-H26 PolarHBondContact O-N 2.82Å
23	A	52.1	Low	53.1	Low	76 Å²	76	113.7 Å²	113.7	63%	0.628	65%	0.651	S	S	*	*	H	α-helix	trans	-64.3	-27.6	177	0	0	0	0	0	113.1	E19 S20	E19-A23 WeakPolarHBondContact O-CB 3.35Å; E19-A23 PolarHBondContact O-N 3.1Å; S20-A23 PolarHBondContact O-N 3.13Å
24	E	48.5	Very low	50.8	Low	165 Å²	165	116 Å²	116	77%	0.771	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.4	-18.6	171.9	-81.7	163.5	155.9	0	0	113.4	S20 S22	S20-E24 PolarHBondContact O-N 3.49Å; S22-E24 VanDerWaalsContact C-N 3.25Å; S22-E24 PolarHBondContact O-N 2.84Å
25	S	41.2	Very low	49	Very low	88 Å²	88	118.6 Å²	118.6	62%	0.615	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.9	-14.3	-176.1	-166.7	0	0	0	0	113.8	S22	S22-S25 PolarHBondContact O-N 3.14Å
26	H	35	Very low	47	Very low	151 Å²	151	123 Å²	123	70%	0.699	70%	0.699	S	S	*	*			trans	-124.4	79.5	-177.3	-76	13.5	0	0	0	112.6	S22	S22-H26 PolarHBondContact O-N 2.82Å
27	R	32.9	Very low	44.9	Very low	243 Å²	243	122.8 Å²	122.8	92%	0.917	71%	0.707	S	S	*	*			trans	-104.4	121.5	156.8	-161.3	175.9	-161.6	175	5	109
28	P	33	Very low	43.1	Very low	111 Å²	111	121.3 Å²	121.3	72%	0.721	72%	0.718	S	S	*	*			trans	-78.5	158.4	-176.7	31.2	-32.8	0	0	0	112.3
29	P	42.4	Very low	41.6	Very low	136 Å²	136	120.8 Å²	120.8	88%	0.883	73%	0.725	S	S	*	*			trans	-88.6	133.9	177.2	33.8	-29.1	0	0	0	112
30	G	31.5	Very low	40.2	Very low	77 Å²	77	118.9 Å²	118.9	79%	0.794	74%	0.738	S	S	*	*			trans	133.1	130.2	178.4	0	0	0	0	0	109.4
31	D	27.2	Very low	39.9	Very low	154 Å²	154	118.8 Å²	118.8	82%	0.824	75%	0.746	S	S	*	*			cis	-157.5	164.5	31.2	-174.5	21.3	0	0	0	109.5
32	C	40.8	Very low	40.7	Very low	120 Å²	120	116 Å²	116	81%	0.811	73%	0.734	S	S	*	*			trans	-73.9	127.7	-173.3	-35.6	0	0	0	0	111.1
33	G	27	Very low	42.3	Very low	76 Å²	76	114.4 Å²	114.4	78%	0.784	72%	0.724	S	S	*	*			trans	173.6	77.3	174.5	0	0	0	0	0	114.8
34	E	30.4	Very low	44.2	Very low	185 Å²	185	115.2 Å²	115.2	86%	0.864	72%	0.723	S	S	*	*			trans	45.8	131.9	141.6	-109.8	-177.5	142.9	0	0	123.5
35	V	34.5	Very low	46.3	Very low	111 Å²	111	108.4 Å²	108.4	67%	0.673	69%	0.694	S	S	*	*			trans	74.7	119.2	150.2	-106.1	0	0	0	0	122.4
36	N	37.4	Very low	48.8	Very low	159 Å²	159	104.2 Å²	104.2	85%	0.85	66%	0.664	S	S	*	*			trans	74.1	89.3	147	-64.2	-26.7	0	0	0	118.5
37	G	27.9	Very low	51.6	Low	65 Å²	65	101.4 Å²	101.4	67%	0.67	65%	0.652	S	S	*	*			trans	-163	97.1	156.2	0	0	0	0	0	110.6	S39	G37-S39 PolarHBondContact O-N 3.31Å
38	V	38.2	Very low	54.6	Low	148 Å²	148	91 Å²	91	90%	0.897	62%	0.618	S	S	*	*			trans	-57.3	95.2	153.9	170.7	0	0	0	0	106.1	G40	V38-G40 VanDerWaalsContact C-N 3.34Å; V38-G40 PolarHBondContact O-N 3.17Å
39	S	35	Very low	57.6	Low	115 Å²	115	85.7 Å²	85.7	80%	0.804	58%	0.583	S	S	*	*			trans	-69.1	99.7	164	-85.2	0	0	0	0	106.6	G37 G41	G37-S39 PolarHBondContact O-N 3.31Å; S39-G41 PolarHBondContact O-N 3.09Å
40	G	45.9	Very low	60.2	Low	82 Å²	82	80.8 Å²	80.8	85%	0.845	55%	0.55	S	S	*	.			trans	-68.5	36.1	179.7	0	0	0	0	0	115	V38	V38-G40 VanDerWaalsContact C-N 3.34Å; V38-G40 PolarHBondContact O-N 3.17Å
41	G	59.7	Low	63.2	Low	60 Å²	60	84 Å²	84	62%	0.619	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-95.2	141	169.2	0	0	0	0	0	110.4	S39	S39-G41 PolarHBondContact O-N 3.09Å
42	V	78	Confident	66.5	Low	55 Å²	55	77.2 Å²	77.2	33%	0.333	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-70.1	139.6	174.3	175.5	0	0	0	0	108.3	V46 E47	V42-V46 HydrophobicContact CG1-CB 3.41Å; V42-V46 VanDerWaalsContact CG1-CB 3.41Å; V42-V46 HydrophobicContact CG1-CG1 3.34Å; V42-V46 HydrophobicContact CG1-CG2 4.48Å; V42-E47 HydrophobicContact CB-CG 4Å; V42-E47 HydrophobicContact CG1-CG 3.96Å
43	A	89.1	Confident	69.1	Low	25 Å²	25	72.3 Å²	72.3	21%	0.207	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-60.1	146.1	-178.7	0	0	0	0	0	111.3	S45 V46 E47	A43-S45 PolarHBondContact O-N 3.25Å; A43-S45 VanDerWaalsContact O-N 3.09Å; A43-V46 HydrophobicContact CB-CG2 4.26Å; A43-V46 WeakPolarHBondContact O-CA 3.41Å; A43-V46 WeakPolarHBondContact O-CB 3.27Å; A43-V46 PolarHBondContact O-N 3.08Å; A43-E47 PolarHBondContact O-N 2.8Å
44	P	91.8	Very high	72.4	Confident	93 Å²	93	75 Å²	75	60%	0.604	47%	0.467	S	S	*	.	H	α-helix	trans	-54.8	-34.4	-177.7	-28.6	35.1	0	0	0	114.2	V46 E47 A48	P44-V46 VanDerWaalsContact C-N 3.32Å; P44-V46 PolarHBondContact O-N 3.42Å; P44-E47 PolarHBondContact O-N 3.48Å; P44-A48 WeakPolarHBondContact O-CB 3.25Å; P44-A48 PolarHBondContact O-N 2.81Å
45	S	92.3	Very high	75.4	Confident	22 Å²	22	68.6 Å²	68.6	15%	0.154	44%	0.443	C	S	.	.	H	α-helix	trans	-67.4	-30.7	174.8	57.2	0	0	0	0	112.8	A43 F49 Y198	A43-S45 PolarHBondContact O-N 3.25Å; A43-S45 VanDerWaalsContact O-N 3.09Å; S45-F49 PolarHBondContact O-N 3.12Å; S45-Y198 WeakPolarHBondContact O-CE2 3.43Å; S45-Y198 VanDerWaalsContact O-CZ 3.3Å; S45-Y198 PolarHBondContact O-OH 3.07Å
46	V	94.6	Very high	78.3	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	42%	0.42	C	S	.	.	H	α-helix	trans	-80.3	-37.7	176.7	-179.4	0	0	0	0	109.9	V42 A43 P44 A48 F49 D50 L89 L90	V42-V46 HydrophobicContact CG1-CB 3.41Å; V42-V46 VanDerWaalsContact CG1-CB 3.41Å; V42-V46 HydrophobicContact CG1-CG1 3.34Å; V42-V46 HydrophobicContact CG1-CG2 4.48Å; A43-V46 HydrophobicContact CB-CG2 4.26Å; A43-V46 WeakPolarHBondContact O-CA 3.41Å; A43-V46 WeakPolarHBondContact O-CB 3.27Å; A43-V46 PolarHBondContact O-N 3.08Å; P44-V46 VanDerWaalsContact C-N 3.32Å; P44-V46 PolarHBondContact O-N 3.42Å; V46-A48 PolarHBondContact O-N 3.44Å; V46-F49 PolarHBondContact O-N 3.4Å; V46-D50 VanDerWaalsContact O-CG 3.27Å; V46-D50 PolarHBondContact O-N 2.85Å; V46-L89 HydrophobicContact CG2-CB 4.31Å; V46-L90 HydrophobicContact CG1-CB 4.49Å; V46-L90 HydrophobicContact CG1-CD1 4.43Å; V46-L90 HydrophobicContact CG2-CB 4.49Å; V46-L90 HydrophobicContact CG2-CD1 4.49Å
47	E	94.7	Very high	81.1	Confident	92 Å²	92	57.6 Å²	57.6	43%	0.43	38%	0.379	S	S	.	.	H	α-helix	trans	-62.8	-40.4	172.9	-65.2	-174.9	165.8	0	0	112.6	V42 A43 P44 F49 D50 K51	V42-E47 HydrophobicContact CB-CG 4Å; V42-E47 HydrophobicContact CG1-CG 3.96Å; A43-E47 PolarHBondContact O-N 2.8Å; P44-E47 PolarHBondContact O-N 3.48Å; E47-F49 VanDerWaalsContact C-N 3.33Å; E47-D50 PolarHBondContact O-N 3.21Å; E47-K51 WeakPolarHBondContact O-CG 3.28Å; E47-K51 PolarHBondContact O-N 3.4Å
48	A	95.3	Very high	84.3	Confident	25 Å²	25	56.5 Å²	56.5	21%	0.207	36%	0.364	C	S	.	.	H	α-helix	trans	-64	-39	174.3	0	0	0	0	0	111.7	P44 V46 K51 L52 Y198 H202	P44-A48 WeakPolarHBondContact O-CB 3.25Å; P44-A48 PolarHBondContact O-N 2.81Å; V46-A48 PolarHBondContact O-N 3.44Å; A48-K51 WeakPolarHBondContact O-CB 3.31Å; A48-K51 PolarHBondContact O-N 3.18Å; A48-L52 PolarHBondContact O-N 3.11Å; A48-L52 VanDerWaalsContact O-N 3.14Å; A48-Y198 HydrophobicContact CB-CD2 4.03Å; A48-Y198 HydrophobicContact CB-CE2 3.94Å; A48-H202 WeakPolarHBondContact CB-NE2 3.33Å
49	F	96.8	Very high	87.2	Confident	0 Å²	0	54 Å²	54	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-66.5	-37.9	173.7	-165	-97.5	0	0	0	112.3	S45 V46 E47 K51 L52 M53 F82 Q85 R86 L89 L195 Y198	S45-F49 PolarHBondContact O-N 3.12Å; V46-F49 PolarHBondContact O-N 3.4Å; E47-F49 VanDerWaalsContact C-N 3.33Å; F49-K51 VanDerWaalsContact C-N 3.3Å; F49-K51 PolarHBondContact O-N 2.93Å; F49-L52 WeakPolarHBondContact O-CB 3.43Å; F49-L52 PolarHBondContact O-N 2.77Å; F49-L52 VanDerWaalsContact O-N 3.13Å; F49-M53 HydrophobicContact CD1-CG 4.02Å; F49-M53 HydrophobicContact CD1-SD 3.85Å; F49-M53 HydrophobicContact CE1-CG 3.8Å; F49-M53 HydrophobicContact CE1-SD 3.53Å; F49-M53 VanDerWaalsContact CE1-SD 3.53Å; F49-M53 PolarHBondContact O-N 2.86Å; F49-F82 HydrophobicContact CE1-CD1 4.27Å; F49-F82 HydrophobicContact CE2-CD1 4.39Å; F49-F82 AromaticContact CZ-CD1 3.63Å; F49-F82 HydrophobicContact CZ-CD1 3.63Å; F49-F82 HydrophobicContact CZ-CE1 4.16Å; F49-Q85 HydrophobicContact CE1-CB 4.36Å; F49-Q85 HydrophobicContact CE2-CG 4.34Å; F49-Q85 HydrophobicContact CZ-CB 3.96Å; F49-Q85 HydrophobicContact CZ-CG 3.84Å; F49-R86 HydrophobicContact CD1-CB 3.91Å; F49-R86 HydrophobicContact CD1-CG 4.15Å; F49-R86 HydrophobicContact CE1-CB 3.82Å; F49-L89 HydrophobicContact CB-CD1 4.12Å; F49-L89 HydrophobicContact CD1-CD1 3.96Å; F49-L89 HydrophobicContact CD2-CD1 3.54Å; F49-L89 HydrophobicContact CE1-CD1 4.23Å; F49-L89 HydrophobicContact CE2-CD1 3.85Å; F49-L89 HydrophobicContact CG-CD1 3.59Å; F49-L89 HydrophobicContact CZ-CD1 4.17Å; F49-L195 HydrophobicContact CE2-CD1 4.05Å; F49-Y198 HydrophobicContact CB-CE2 4.06Å; F49-Y198 HydrophobicContact CD2-CD1 4.25Å; F49-Y198 AromaticContact CD2-CE1 3.9Å; F49-Y198 HydrophobicContact CD2-CE1 3.9Å
50	D	95.9	Very high	90.2	Very high	32 Å²	32	48.6 Å²	48.6	17%	0.171	31%	0.305	C	S	.	.	H	α-helix	trans	-62.1	-38.9	175.2	-72.6	-8.5	0	0	0	111.7	V46 E47 M53 N54 R86	V46-D50 VanDerWaalsContact O-CG 3.27Å; V46-D50 PolarHBondContact O-N 2.85Å; E47-D50 PolarHBondContact O-N 3.21Å; D50-M53 PolarHBondContact O-N 2.98Å; D50-N54 VanDerWaalsContact O-CB 3.3Å; D50-N54 WeakPolarHBondContact O-CB 3.38Å; D50-N54 PolarHBondContact O-N 3.27Å; D50-N54 PolarHBondContact O-ND2 2.95Å; D50-R86 VanDerWaalsContact OD1-CD 3.27Å; D50-R86 WeakPolarHBondContact OD1-CD 3.37Å; D50-R86 IonicContact OD1-CZ 2.77Å; D50-R86 IonicContact OD1-NE 3.44Å; D50-R86 PolarHBondContact OD1-NE 3.17Å; D50-R86 IonicContact OD1-NH2 3.23Å; D50-R86 IonicContact OD2-CZ 2.75Å; D50-R86 IonicContact OD2-NE 2.67Å; D50-R86 PolarHBondContact OD2-NE 2.98Å; D50-R86 IonicContact OD2-NH2 3.43Å; D50-R86 PolarHBondContact OD2-NH2 3.12Å
51	K	95.4	Very high	92.7	Very high	145 Å²	145	45.1 Å²	45.1	63%	0.63	27%	0.267	S	S	*	.	H	α-helix	trans	-62.3	-43.1	172.6	-70.4	170.9	-174.2	170.1	0	111.4	E47 A48 F49 N54 S55	E47-K51 WeakPolarHBondContact O-CG 3.28Å; E47-K51 PolarHBondContact O-N 3.4Å; A48-K51 WeakPolarHBondContact O-CB 3.31Å; A48-K51 PolarHBondContact O-N 3.18Å; F49-K51 VanDerWaalsContact C-N 3.3Å; F49-K51 PolarHBondContact O-N 2.93Å; K51-N54 PolarHBondContact O-N 2.84Å; K51-S55 WeakPolarHBondContact O-CB 3.5Å; K51-S55 PolarHBondContact O-N 2.89Å; K51-S55 PolarHBondContact O-OG 2.83Å
52	L	95.9	Very high	94.5	Very high	11 Å²	11	48.7 Å²	48.7	6%	0.058	27%	0.265	C	S	.	.	H	α-helix	trans	-60.9	-44.4	176.2	-176.1	157	0	0	0	111.3	A48 F49 M56 V57 F82 E194 L195	A48-L52 PolarHBondContact O-N 3.11Å; A48-L52 VanDerWaalsContact O-N 3.14Å; F49-L52 WeakPolarHBondContact O-CB 3.43Å; F49-L52 PolarHBondContact O-N 2.77Å; F49-L52 VanDerWaalsContact O-N 3.13Å; L52-M56 PolarHBondContact O-N 2.89Å; L52-V57 HydrophobicContact CD2-CG2 4Å; L52-V57 PolarHBondContact O-N 2.88Å; L52-F82 HydrophobicContact CD2-CD1 4.4Å; L52-F82 HydrophobicContact CD2-CE1 3.94Å; L52-E194 HydrophobicContact CD1-CB 3.98Å; L52-E194 HydrophobicContact CG-CB 4.4Å; L52-L195 HydrophobicContact CD1-CB 4.28Å; L52-L195 HydrophobicContact CD1-CD1 4.45Å
53	M	96.2	Very high	95.4	Very high	18 Å²	18	47 Å²	47	9%	0.089	25%	0.254	C	S	.	.	I	π-helix	trans	-64.4	-46.7	177	-72	-171.7	65.9	0	0	112.4	F49 D50 S55 V57 A58 F82 Q83 R86	F49-M53 HydrophobicContact CD1-CG 4.02Å; F49-M53 HydrophobicContact CD1-SD 3.85Å; F49-M53 HydrophobicContact CE1-CG 3.8Å; F49-M53 HydrophobicContact CE1-SD 3.53Å; F49-M53 VanDerWaalsContact CE1-SD 3.53Å; F49-M53 PolarHBondContact O-N 2.86Å; D50-M53 PolarHBondContact O-N 2.98Å; M53-S55 VanDerWaalsContact C-N 3.26Å; M53-S55 PolarHBondContact O-N 2.89Å; M53-V57 WeakPolarHBondContact O-CB 3.43Å; M53-A58 PolarHBondContact O-N 2.79Å; M53-A58 VanDerWaalsContact O-N 3.09Å; M53-F82 HydrophobicContact CE-CB 3.97Å; M53-F82 HydrophobicContact CG-CB 4.48Å; M53-F82 HydrophobicContact CG-CD1 4.4Å; M53-F82 HydrophobicContact SD-CB 4.32Å; M53-Q83 HydrophobicContact CE-CG 3.77Å; M53-R86 HydrophobicContact SD-CB 3.95Å; M53-R86 HydrophobicContact SD-CG 4.34Å
54	N	94.3	Very high	95.9	Very high	131 Å²	131	45.8 Å²	45.8	70%	0.701	24%	0.244	S	C	*	.	I	π-helix	trans	-74.3	-15	-176	-69.3	-33.9	0	0	0	113.9	D50 K51 A58	D50-N54 VanDerWaalsContact O-CB 3.3Å; D50-N54 WeakPolarHBondContact O-CB 3.38Å; D50-N54 PolarHBondContact O-N 3.27Å; D50-N54 PolarHBondContact O-ND2 2.95Å; K51-N54 PolarHBondContact O-N 2.84Å; N54-A58 WeakPolarHBondContact O-CB 3.24Å
55	S	95.1	Very high	96.1	Very high	51 Å²	51	47.4 Å²	47.4	36%	0.357	24%	0.238	S	C	.	.	I	π-helix	trans	-105.3	-74.2	176.5	57.4	0	0	0	0	111.4	K51 M53 A58 E59	K51-S55 WeakPolarHBondContact O-CB 3.5Å; K51-S55 PolarHBondContact O-N 2.89Å; K51-S55 PolarHBondContact O-OG 2.83Å; M53-S55 VanDerWaalsContact C-N 3.26Å; M53-S55 PolarHBondContact O-N 2.89Å; S55-A58 PolarHBondContact O-N 2.91Å; S55-E59 WeakPolarHBondContact O-CB 3.42Å; S55-E59 PolarHBondContact O-N 3.06Å
56	M	94.4	Very high	96.4	Very high	39 Å²	39	50.1 Å²	50.1	19%	0.192	25%	0.25	C	S	.	.	I	π-helix	trans	-73	-45.7	-168	-52.9	-51.3	159.6	0	0	112.5	L52 A58 E59 F60 N190 I191 E194	L52-M56 PolarHBondContact O-N 2.89Å; M56-A58 VanDerWaalsContact C-N 3.33Å; M56-E59 PolarHBondContact O-N 3.14Å; M56-F60 PolarHBondContact O-N 2.94Å; M56-N190 PolarHBondContact SD-ND2 3.03Å; M56-I191 HydrophobicContact CB-CG1 4.16Å; M56-E194 HydrophobicContact CE-CG 4.25Å; M56-E194 HydrophobicContact CG-CB 4.24Å; M56-E194 HydrophobicContact CG-CG 3.89Å; M56-E194 HydrophobicContact SD-CG 4.36Å
57	V	95.8	Very high	96.4	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.256	C	S	.	.	I	π-helix	trans	-67.9	-38.6	177.7	-178.6	0	0	0	0	110.1	L52 M53 E59 F60 L61 F82 I191	L52-V57 HydrophobicContact CD2-CG2 4Å; L52-V57 PolarHBondContact O-N 2.88Å; M53-V57 WeakPolarHBondContact O-CB 3.43Å; V57-E59 PolarHBondContact O-N 3.14Å; V57-F60 PolarHBondContact O-N 2.83Å; V57-L61 HydrophobicContact CG1-CD1 4.2Å; V57-L61 HydrophobicContact CG1-CG 4.46Å; V57-L61 WeakPolarHBondContact O-CB 3.29Å; V57-L61 VanDerWaalsContact O-CG 3.3Å; V57-L61 WeakPolarHBondContact O-CG 3.02Å; V57-L61 PolarHBondContact O-N 2.91Å; V57-F82 HydrophobicContact CG2-CD1 3.92Å; V57-F82 HydrophobicContact CG2-CD2 4.43Å; V57-F82 HydrophobicContact CG2-CE1 4.02Å; V57-F82 HydrophobicContact CG2-CG 4.15Å; V57-F82 HydrophobicContact CG2-CZ 4.33Å; V57-I191 HydrophobicContact CG2-CD1 4.31Å; V57-I191 HydrophobicContact CG2-CG1 4.33Å; V57-I191 HydrophobicContact CG2-CG2 4.38Å
58	A	96.7	Very high	96.4	Very high	42 Å²	42	49 Å²	49	35%	0.347	25%	0.254	S	S	.	.	H	α-helix	trans	-62	-41.3	174.9	0	0	0	0	0	112.8	M53 N54 S55 M56 L61 K62	M53-A58 PolarHBondContact O-N 2.79Å; M53-A58 VanDerWaalsContact O-N 3.09Å; N54-A58 WeakPolarHBondContact O-CB 3.24Å; S55-A58 PolarHBondContact O-N 2.91Å; M56-A58 VanDerWaalsContact C-N 3.33Å; A58-L61 PolarHBondContact O-N 2.87Å; A58-K62 WeakPolarHBondContact O-CB 3.2Å; A58-K62 PolarHBondContact O-N 3.31Å
59	E	97.7	Very high	96.4	Very high	96 Å²	96	50 Å²	50	45%	0.449	27%	0.266	S	S	.	.	H	α-helix	trans	-65.1	-43.8	175.5	-174.2	176.1	-169.4	0	0	111.9	S55 M56 V57 L61 K62 N63	S55-E59 WeakPolarHBondContact O-CB 3.42Å; S55-E59 PolarHBondContact O-N 3.06Å; M56-E59 PolarHBondContact O-N 3.14Å; V57-E59 PolarHBondContact O-N 3.14Å; E59-L61 PolarHBondContact O-N 3.39Å; E59-K62 WeakPolarHBondContact O-CB 3.4Å; E59-K62 PolarHBondContact O-N 2.87Å; E59-N63 PolarHBondContact O-N 3.36Å
60	F	98.1	Very high	96.4	Very high	1 Å²	1	52.5 Å²	52.5	0%	0.004	28%	0.279	C	S	.	.	H	α-helix	trans	-59.5	-44.2	173.2	164.9	-107.2	0	0	0	112.8	M56 V57 K62 N63 S64 A75 V78 W184 Y188 I191	M56-F60 PolarHBondContact O-N 2.94Å; V57-F60 PolarHBondContact O-N 2.83Å; F60-K62 PolarHBondContact O-N 2.91Å; F60-N63 PolarHBondContact O-N 3.49Å; F60-S64 WeakPolarHBondContact CE2-OG 3.34Å; F60-S64 WeakPolarHBondContact O-CB 3.31Å; F60-S64 PolarHBondContact O-N 3.06Å; F60-S64 PolarHBondContact O-OG 2.91Å; F60-A75 HydrophobicContact CD1-CB 4.39Å; F60-A75 HydrophobicContact CE1-CB 3.54Å; F60-A75 HydrophobicContact CZ-CB 3.73Å; F60-V78 HydrophobicContact CE1-CB 4.24Å; F60-V78 HydrophobicContact CE1-CG1 4.2Å; F60-W184 AromaticContact CD2-NE1 3.87Å; F60-W184 AromaticContact CE2-CE2 3.61Å; F60-W184 AromaticContact CE2-CZ2 3.76Å; F60-W184 HydrophobicContact CE2-CZ2 3.76Å; F60-W184 AromaticContact CE2-NE1 3.29Å; F60-W184 VanDerWaalsContact CE2-NE1 3.29Å; F60-W184 HydrophobicContact CZ-CZ2 4.42Å; F60-Y188 AromaticContact CD2-CD2 3.59Å; F60-Y188 HydrophobicContact CD2-CD2 3.59Å; F60-Y188 HydrophobicContact CD2-CG 4.16Å; F60-Y188 HydrophobicContact CE1-CD2 4.35Å; F60-Y188 AromaticContact CE2-CD2 3.26Å; F60-Y188 HydrophobicContact CE2-CD2 3.26Å; F60-Y188 HydrophobicContact CE2-CE2 4.04Å; F60-Y188 AromaticContact CE2-CG 3.91Å; F60-Y188 HydrophobicContact CE2-CG 3.91Å; F60-Y188 HydrophobicContact CG-CD2 4.25Å; F60-Y188 AromaticContact CZ-CD2 3.7Å; F60-Y188 HydrophobicContact CZ-CD2 3.7Å; F60-Y188 HydrophobicContact CZ-CE2 4.02Å; F60-I191 HydrophobicContact CB-CD1 3.58Å; F60-I191 HydrophobicContact CB-CG1 4.44Å; F60-I191 HydrophobicContact CD1-CD1 3.85Å; F60-I191 HydrophobicContact CD2-CD1 4.4Å; F60-I191 HydrophobicContact CG-CD1 3.68Å
61	L	97.9	Very high	96.4	Very high	10 Å²	10	51.1 Å²	51.1	5%	0.052	27%	0.272	C	S	.	.	H	α-helix	trans	-61.2	-45	176.1	-75.9	167.4	0	0	0	111.4	V57 A58 E59 N63 S64 R65 A75 H79	V57-L61 HydrophobicContact CG1-CD1 4.2Å; V57-L61 HydrophobicContact CG1-CG 4.46Å; V57-L61 WeakPolarHBondContact O-CB 3.29Å; V57-L61 VanDerWaalsContact O-CG 3.3Å; V57-L61 WeakPolarHBondContact O-CG 3.02Å; V57-L61 PolarHBondContact O-N 2.91Å; A58-L61 PolarHBondContact O-N 2.87Å; E59-L61 PolarHBondContact O-N 3.39Å; L61-N63 PolarHBondContact O-N 3.07Å; L61-S64 PolarHBondContact O-N 3.05Å; L61-R65 WeakPolarHBondContact O-CG 3.25Å; L61-R65 PolarHBondContact O-N 2.84Å; L61-A75 HydrophobicContact CD2-CB 3.95Å; L61-A75 WeakPolarHBondContact CD2-O 3.48Å; L61-H79 HydrophobicContact CD1-CB 3.91Å; L61-H79 HydrophobicContact CD2-CB 3.95Å; L61-H79 HydrophobicContact CG-CB 4.39Å
62	K	98.2	Very high	96.5	Very high	135 Å²	135	47.5 Å²	47.5	59%	0.587	26%	0.258	S	S	*	.	H	α-helix	trans	-56.8	-49.3	175.9	-179.7	-171.8	173.1	-170.9	0	111.1	A58 E59 F60 S64 R65 I66	A58-K62 WeakPolarHBondContact O-CB 3.2Å; A58-K62 PolarHBondContact O-N 3.31Å; E59-K62 WeakPolarHBondContact O-CB 3.4Å; E59-K62 PolarHBondContact O-N 2.87Å; F60-K62 PolarHBondContact O-N 2.91Å; K62-S64 VanDerWaalsContact C-N 3.3Å; K62-S64 PolarHBondContact O-N 2.86Å; K62-R65 PolarHBondContact O-N 2.77Å; K62-I66 HydrophobicContact CG-CD1 4.49Å; K62-I66 WeakPolarHBondContact O-CG1 3.42Å; K62-I66 PolarHBondContact O-N 2.82Å
63	N	97.8	Very high	96.6	Very high	18 Å²	18	50.1 Å²	50.1	10%	0.096	27%	0.274	C	S	.	.	H	α-helix	trans	-66.3	-34	179.5	-67.5	-11.4	0	0	0	111.8	E59 F60 L61 I66 L67 D183 W184 S187	E59-N63 PolarHBondContact O-N 3.36Å; F60-N63 PolarHBondContact O-N 3.49Å; L61-N63 PolarHBondContact O-N 3.07Å; N63-I66 WeakPolarHBondContact O-CB 3.2Å; N63-I66 PolarHBondContact O-N 3.13Å; N63-L67 PolarHBondContact O-N 2.77Å; N63-D183 PolarHBondContact ND2-O 3.3Å; N63-D183 VanDerWaalsContact ND2-O 3.11Å; N63-W184 HydrophobicContact CB-CB 4.19Å; N63-S187 PolarHBondContact ND2-OG 3.45Å; N63-S187 VanDerWaalsContact ND2-OG 3.13Å
64	S	97.9	Very high	96.7	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-68.4	-40	177	-58.6	0	0	0	0	112.4	F60 L61 K62 I66 L67 A68 A75 W184	F60-S64 WeakPolarHBondContact CE2-OG 3.34Å; F60-S64 WeakPolarHBondContact O-CB 3.31Å; F60-S64 PolarHBondContact O-N 3.06Å; F60-S64 PolarHBondContact O-OG 2.91Å; L61-S64 PolarHBondContact O-N 3.05Å; K62-S64 VanDerWaalsContact C-N 3.3Å; K62-S64 PolarHBondContact O-N 2.86Å; S64-I66 VanDerWaalsContact C-N 3.27Å; S64-I66 PolarHBondContact O-N 3.15Å; S64-L67 PolarHBondContact O-N 2.75Å; S64-L67 VanDerWaalsContact O-N 3.15Å; S64-A68 PolarHBondContact O-N 3.23Å; S64-A75 WeakPolarHBondContact OG-CB 3.36Å; S64-W184 VanDerWaalsContact OG-CD1 3.31Å; S64-W184 PolarHBondContact OG-NE1 3.04Å
65	R	97.8	Very high	96.8	Very high	127 Å²	127	43.1 Å²	43.1	48%	0.479	24%	0.237	S	C	.	.	H	α-helix	trans	-63.7	-32.7	173.8	-70.1	175.3	-170.4	152.4	4.1	112.7	L61 K62 L67 A68 E72 E76	L61-R65 WeakPolarHBondContact O-CG 3.25Å; L61-R65 PolarHBondContact O-N 2.84Å; K62-R65 PolarHBondContact O-N 2.77Å; R65-L67 VanDerWaalsContact C-N 3.32Å; R65-A68 PolarHBondContact O-N 3.08Å; R65-E72 HydrophobicContact CG-CG 4Å; R65-E76 IonicContact CZ-OE1 2.66Å; R65-E76 IonicContact NE-OE1 3.76Å; R65-E76 PolarHBondContact NE-OE1 3.04Å; R65-E76 IonicContact NH2-OE1 3.23Å; R65-E76 PolarHBondContact NH2-OE1 2.82Å
66	I	97.2	Very high	97	Very high	79 Å²	79	43.7 Å²	43.7	41%	0.405	23%	0.234	S	C	.	.	H	α-helix	trans	-66.2	-36.1	174.7	-69.1	167.8	0	0	0	111.4	K62 N63 S64 R180	K62-I66 HydrophobicContact CG-CD1 4.49Å; K62-I66 WeakPolarHBondContact O-CG1 3.42Å; K62-I66 PolarHBondContact O-N 2.82Å; N63-I66 WeakPolarHBondContact O-CB 3.2Å; N63-I66 PolarHBondContact O-N 3.13Å; S64-I66 VanDerWaalsContact C-N 3.27Å; S64-I66 PolarHBondContact O-N 3.15Å; I66-R180 HydrophobicContact CG2-CB 4.28Å; I66-R180 HydrophobicContact CG2-CG 4.14Å
67	L	95.3	Very high	97.1	Very high	23 Å²	23	43.4 Å²	43.4	12%	0.12	23%	0.233	C	C	.	.	H	α-helix	trans	-78	-24.4	176.3	-63.3	-176.3	0	0	0	112.7	N63 S64 R65 V71 R180 W184	N63-L67 PolarHBondContact O-N 2.77Å; S64-L67 PolarHBondContact O-N 2.75Å; S64-L67 VanDerWaalsContact O-N 3.15Å; R65-L67 VanDerWaalsContact C-N 3.32Å; L67-V71 HydrophobicContact CB-CB 4.32Å; L67-V71 HydrophobicContact CB-CG1 4.27Å; L67-V71 HydrophobicContact CD1-CG1 4.16Å; L67-R180 HydrophobicContact CD2-CB 3.87Å; L67-W184 HydrophobicContact CD1-CB 3.74Å; L67-W184 HydrophobicContact CD1-CD2 4.3Å; L67-W184 HydrophobicContact CD1-CG 3.66Å
68	A	94.8	Very high	97.2	Very high	46 Å²	46	43.4 Å²	43.4	38%	0.38	23%	0.233	S	C	.	.			trans	58.7	-176.2	177	0	0	0	0	0	114.2	S64 R65 V71	S64-A68 PolarHBondContact O-N 3.23Å; R65-A68 PolarHBondContact O-N 3.08Å; A68-V71 PolarHBondContact O-N 3.49Å
69	G	95.4	Very high	97.3	Very high	45 Å²	45	43.6 Å²	43.6	46%	0.464	23%	0.226	S	C	.	.	H	α-helix	trans	65.6	-134.3	172.5	0	0	0	0	0	113.7	V71 E72 T73	G69-V71 PolarHBondContact O-N 3.1Å; G69-E72 PolarHBondContact O-N 2.97Å; G69-T73 PolarHBondContact O-N 2.81Å; G69-T73 VanDerWaalsContact O-N 3.12Å; G69-T73 PolarHBondContact O-OG1 2.86Å; G69-T73 VanDerWaalsContact O-OG1 3.07Å
70	D	95.7	Very high	97.3	Very high	53 Å²	53	41 Å²	41	28%	0.283	22%	0.218	S	C	.	.	H	α-helix	trans	-62.4	-33.7	-177.3	-61.4	-23.4	0	0	0	112	T73 H74 F120 S127 L133	D70-T73 PolarHBondContact O-N 3.44Å; D70-H74 VanDerWaalsContact O-CB 3.26Å; D70-H74 WeakPolarHBondContact O-CB 3.3Å; D70-H74 PolarHBondContact O-N 2.79Å; D70-F120 HydrophobicContact CB-CE1 4.26Å; D70-F120 HydrophobicContact CB-CZ 4.29Å; D70-S127 WeakPolarHBondContact OD2-CB 3.04Å; D70-S127 PolarHBondContact OD2-OG 3.42Å; D70-L133 HydrophobicContact CB-CD1 4.1Å; D70-L133 HydrophobicContact CB-CD2 4.01Å
71	V	97.3	Very high	97.2	Very high	4 Å²	4	40.9 Å²	40.9	2%	0.024	22%	0.218	C	C	.	.	H	α-helix	trans	-68.6	-42.8	-178.2	-179.3	0	0	0	0	111	L67 A68 G69 H74 A75 M129 H132 W184	L67-V71 HydrophobicContact CB-CB 4.32Å; L67-V71 HydrophobicContact CB-CG1 4.27Å; L67-V71 HydrophobicContact CD1-CG1 4.16Å; A68-V71 PolarHBondContact O-N 3.49Å; G69-V71 PolarHBondContact O-N 3.1Å; V71-H74 PolarHBondContact O-N 2.92Å; V71-A75 WeakPolarHBondContact O-CB 3.32Å; V71-A75 PolarHBondContact O-N 3.35Å; V71-M129 HydrophobicContact CG2-CB 3.61Å; V71-M129 HydrophobicContact CG2-CG 3.9Å; V71-H132 HydrophobicContact CG2-CB 3.89Å; V71-W184 HydrophobicContact CG1-CZ2 4.2Å
72	E	97.6	Very high	97.2	Very high	69 Å²	69	40.4 Å²	40.4	32%	0.322	22%	0.216	S	C	.	.	H	α-helix	trans	-62.4	-48.6	174.5	176.7	177.4	-162.6	0	0	111.3	R65 G69 H74 A75 E76	R65-E72 HydrophobicContact CG-CG 4Å; G69-E72 PolarHBondContact O-N 2.97Å; E72-H74 VanDerWaalsContact C-N 3.29Å; E72-H74 PolarHBondContact O-N 2.87Å; E72-A75 PolarHBondContact O-N 2.88Å; E72-A75 VanDerWaalsContact O-N 3.15Å; E72-E76 PolarHBondContact O-N 3.43Å
73	T	97.6	Very high	97.1	Very high	65 Å²	65	38.3 Å²	38.3	40%	0.399	21%	0.208	S	C	.	.	H	α-helix	trans	-58.4	-44.2	178.7	-55.9	0	0	0	0	111.1	G69 D70 A75 E76 M77 F120	G69-T73 PolarHBondContact O-N 2.81Å; G69-T73 VanDerWaalsContact O-N 3.12Å; G69-T73 PolarHBondContact O-OG1 2.86Å; G69-T73 VanDerWaalsContact O-OG1 3.07Å; D70-T73 PolarHBondContact O-N 3.44Å; T73-A75 VanDerWaalsContact C-N 3.33Å; T73-A75 PolarHBondContact O-N 2.86Å; T73-E76 PolarHBondContact O-N 2.89Å; T73-M77 HydrophobicContact CG2-CE 4.14Å; T73-M77 WeakPolarHBondContact O-CG 3.32Å; T73-M77 PolarHBondContact O-N 2.76Å; T73-F120 HydrophobicContact CG2-CE2 3.68Å; T73-F120 HydrophobicContact CG2-CZ 3.77Å
74	H	97.3	Very high	97	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.009	21%	0.211	C	C	.	.	H	α-helix	trans	-67	-35.8	179.7	-152.6	-171.3	0	0	0	112	D70 V71 E72 M77 V78 I117 F120 L133	D70-H74 VanDerWaalsContact O-CB 3.26Å; D70-H74 WeakPolarHBondContact O-CB 3.3Å; D70-H74 PolarHBondContact O-N 2.79Å; V71-H74 PolarHBondContact O-N 2.92Å; E72-H74 VanDerWaalsContact C-N 3.29Å; E72-H74 PolarHBondContact O-N 2.87Å; H74-M77 WeakPolarHBondContact O-CB 3.48Å; H74-M77 PolarHBondContact O-N 3.47Å; H74-V78 WeakPolarHBondContact O-CG2 3.22Å; H74-V78 PolarHBondContact O-N 2.87Å; H74-V78 VanDerWaalsContact O-N 3.09Å; H74-I117 WeakPolarHBondContact NE2-CG2 3.45Å; H74-I117 PolarHBondContact NE2-O 3.35Å; H74-F120 HydrophobicContact CB-CD1 3.99Å; H74-F120 HydrophobicContact CB-CE1 3.85Å; H74-F120 AromaticContact CD2-CD1 3.5Å; H74-F120 AromaticContact CG-CD1 3.71Å; H74-F120 AromaticContact NE2-CD1 3.87Å; H74-L133 HydrophobicContact CB-CD2 3.86Å; H74-L133 PolarHBondContact CE1-O 2.93Å; H74-L133 VanDerWaalsContact CE1-O 3.3Å; H74-L133 VanDerWaalsContact ND1-CD2 3.31Å; H74-L133 WeakPolarHBondContact ND1-CD2 3.4Å
75	A	97.9	Very high	96.8	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.008	21%	0.211	C	C	.	.	H	α-helix	trans	-67.7	-38.2	177.4	0	0	0	0	0	113	F60 L61 S64 V71 E72 T73 M77 V78 H79	F60-A75 HydrophobicContact CD1-CB 4.39Å; F60-A75 HydrophobicContact CE1-CB 3.54Å; F60-A75 HydrophobicContact CZ-CB 3.73Å; L61-A75 HydrophobicContact CD2-CB 3.95Å; L61-A75 WeakPolarHBondContact CD2-O 3.48Å; S64-A75 WeakPolarHBondContact OG-CB 3.36Å; V71-A75 WeakPolarHBondContact O-CB 3.32Å; V71-A75 PolarHBondContact O-N 3.35Å; E72-A75 PolarHBondContact O-N 2.88Å; E72-A75 VanDerWaalsContact O-N 3.15Å; T73-A75 VanDerWaalsContact C-N 3.33Å; T73-A75 PolarHBondContact O-N 2.86Å; A75-M77 VanDerWaalsContact C-N 3.29Å; A75-M77 PolarHBondContact O-N 2.92Å; A75-V78 WeakPolarHBondContact O-CB 3.45Å; A75-V78 PolarHBondContact O-N 3.03Å; A75-H79 PolarHBondContact O-N 3.08Å
76	E	98	Very high	96.7	Very high	62 Å²	62	35.7 Å²	35.7	29%	0.29	20%	0.201	S	C	.	.	H	α-helix	trans	-65.5	-33.3	174.8	-67.8	-63.1	161.1	0	0	112.1	R65 E72 T73 H79 S80	R65-E76 IonicContact CZ-OE1 2.66Å; R65-E76 IonicContact NE-OE1 3.76Å; R65-E76 PolarHBondContact NE-OE1 3.04Å; R65-E76 IonicContact NH2-OE1 3.23Å; R65-E76 PolarHBondContact NH2-OE1 2.82Å; E72-E76 PolarHBondContact O-N 3.43Å; T73-E76 PolarHBondContact O-N 2.89Å; E76-H79 PolarHBondContact O-N 2.96Å; E76-S80 PolarHBondContact O-N 2.79Å; E76-S80 PolarHBondContact O-OG 3.16Å
77	M	98.1	Very high	96.5	Very high	33 Å²	33	34 Å²	34	16%	0.163	20%	0.196	C	C	.	.	H	α-helix	trans	-64.7	-44	170.8	-63.2	174.9	173	0	0	111.4	T73 H74 A75 H79 S80 A81 I117 F120	T73-M77 HydrophobicContact CG2-CE 4.14Å; T73-M77 WeakPolarHBondContact O-CG 3.32Å; T73-M77 PolarHBondContact O-N 2.76Å; H74-M77 WeakPolarHBondContact O-CB 3.48Å; H74-M77 PolarHBondContact O-N 3.47Å; A75-M77 VanDerWaalsContact C-N 3.29Å; A75-M77 PolarHBondContact O-N 2.92Å; M77-H79 VanDerWaalsContact C-N 3.33Å; M77-H79 PolarHBondContact O-N 3.33Å; M77-S80 WeakPolarHBondContact O-CB 3.47Å; M77-S80 PolarHBondContact O-N 2.79Å; M77-A81 PolarHBondContact O-N 2.79Å; M77-I117 HydrophobicContact CB-CD1 4.24Å; M77-I117 HydrophobicContact CB-CG1 3.61Å; M77-F120 HydrophobicContact CE-CB 4.27Å; M77-F120 HydrophobicContact CE-CD2 3.56Å; M77-F120 HydrophobicContact CE-CE2 4.13Å; M77-F120 HydrophobicContact CE-CG 4.04Å; M77-F120 HydrophobicContact SD-CB 3.8Å; M77-F120 HydrophobicContact SD-CD1 4.48Å; M77-F120 HydrophobicContact SD-CD2 4.01Å; M77-F120 HydrophobicContact SD-CG 3.84Å
78	V	98	Very high	96.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-58.5	-45.8	174.6	173.2	0	0	0	0	110.7	F60 H74 A75 S80 A81 F82 I117 V136 I140	F60-V78 HydrophobicContact CE1-CB 4.24Å; F60-V78 HydrophobicContact CE1-CG1 4.2Å; H74-V78 WeakPolarHBondContact O-CG2 3.22Å; H74-V78 PolarHBondContact O-N 2.87Å; H74-V78 VanDerWaalsContact O-N 3.09Å; A75-V78 WeakPolarHBondContact O-CB 3.45Å; A75-V78 PolarHBondContact O-N 3.03Å; V78-S80 VanDerWaalsContact C-N 3.32Å; V78-S80 PolarHBondContact O-N 2.62Å; V78-A81 WeakPolarHBondContact O-CA 3.33Å; V78-A81 WeakPolarHBondContact O-CB 3.47Å; V78-A81 PolarHBondContact O-N 3.49Å; V78-F82 HydrophobicContact CG1-CD2 3.79Å; V78-F82 HydrophobicContact CG1-CE2 3.8Å; V78-F82 WeakPolarHBondContact O-CD2 3.18Å; V78-F82 PolarHBondContact O-N 3.02Å; V78-I117 HydrophobicContact CG2-CD1 4.1Å; V78-V136 HydrophobicContact CG2-CG1 3.46Å; V78-V136 VanDerWaalsContact CG2-CG1 3.46Å; V78-I140 HydrophobicContact CG1-CD1 4.22Å; V78-I140 HydrophobicContact CG2-CD1 4.18Å
79	H	97.6	Very high	96.4	Very high	47 Å²	47	31.6 Å²	31.6	22%	0.218	18%	0.176	C	C	.	.	H	α-helix	trans	-58.4	-43.6	176.5	176.3	-119	0	0	0	112.4	L61 A75 E76 M77 A81 F82 Q83	L61-H79 HydrophobicContact CD1-CB 3.91Å; L61-H79 HydrophobicContact CD2-CB 3.95Å; L61-H79 HydrophobicContact CG-CB 4.39Å; A75-H79 PolarHBondContact O-N 3.08Å; E76-H79 PolarHBondContact O-N 2.96Å; M77-H79 VanDerWaalsContact C-N 3.33Å; M77-H79 PolarHBondContact O-N 3.33Å; H79-A81 VanDerWaalsContact C-N 3.27Å; H79-A81 PolarHBondContact O-N 3.23Å; H79-F82 PolarHBondContact O-N 3.1Å; H79-Q83 PolarHBondContact CE1-NE2 3.05Å; H79-Q83 WeakPolarHBondContact O-CG 3.37Å; H79-Q83 PolarHBondContact O-N 2.8Å
80	S	97.2	Very high	96.3	Very high	40 Å²	40	30.6 Å²	30.6	28%	0.28	16%	0.16	S	C	.	.	H	α-helix	trans	-60.4	-36.5	174.5	-58	0	0	0	0	112.3	E76 M77 V78 Q83 A84	E76-S80 PolarHBondContact O-N 2.79Å; E76-S80 PolarHBondContact O-OG 3.16Å; M77-S80 WeakPolarHBondContact O-CB 3.47Å; M77-S80 PolarHBondContact O-N 2.79Å; V78-S80 VanDerWaalsContact C-N 3.32Å; V78-S80 PolarHBondContact O-N 2.62Å; S80-Q83 PolarHBondContact O-N 2.82Å; S80-A84 PolarHBondContact O-N 2.77Å; S80-A84 VanDerWaalsContact O-N 3.08Å
81	A	97.1	Very high	96.1	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-68.1	-41.1	175.1	0	0	0	0	0	112.2	M77 V78 H79 Q83 A84 Q85 K113 I117 L143	M77-A81 PolarHBondContact O-N 2.79Å; V78-A81 WeakPolarHBondContact O-CA 3.33Å; V78-A81 WeakPolarHBondContact O-CB 3.47Å; V78-A81 PolarHBondContact O-N 3.49Å; H79-A81 VanDerWaalsContact C-N 3.27Å; H79-A81 PolarHBondContact O-N 3.23Å; A81-Q83 VanDerWaalsContact C-N 3.33Å; A81-Q83 PolarHBondContact O-N 3.03Å; A81-A84 WeakPolarHBondContact O-CB 3.39Å; A81-A84 PolarHBondContact O-N 2.82Å; A81-Q85 PolarHBondContact O-N 2.84Å; A81-K113 HydrophobicContact CB-CB 3.88Å; A81-I117 HydrophobicContact CB-CD1 3.85Å; A81-L143 HydrophobicContact CB-CD1 3.53Å
82	F	97.3	Very high	95.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-64.3	-35.8	173.7	-88.7	-95.8	0	0	0	112.4	F49 L52 M53 V57 V78 H79 Q85 R86 L143 I191 W192	F49-F82 HydrophobicContact CE1-CD1 4.27Å; F49-F82 HydrophobicContact CE2-CD1 4.39Å; F49-F82 AromaticContact CZ-CD1 3.63Å; F49-F82 HydrophobicContact CZ-CD1 3.63Å; F49-F82 HydrophobicContact CZ-CE1 4.16Å; L52-F82 HydrophobicContact CD2-CD1 4.4Å; L52-F82 HydrophobicContact CD2-CE1 3.94Å; M53-F82 HydrophobicContact CE-CB 3.97Å; M53-F82 HydrophobicContact CG-CB 4.48Å; M53-F82 HydrophobicContact CG-CD1 4.4Å; M53-F82 HydrophobicContact SD-CB 4.32Å; V57-F82 HydrophobicContact CG2-CD1 3.92Å; V57-F82 HydrophobicContact CG2-CD2 4.43Å; V57-F82 HydrophobicContact CG2-CE1 4.02Å; V57-F82 HydrophobicContact CG2-CG 4.15Å; V57-F82 HydrophobicContact CG2-CZ 4.33Å; V78-F82 HydrophobicContact CG1-CD2 3.79Å; V78-F82 HydrophobicContact CG1-CE2 3.8Å; V78-F82 WeakPolarHBondContact O-CD2 3.18Å; V78-F82 PolarHBondContact O-N 3.02Å; H79-F82 PolarHBondContact O-N 3.1Å; F82-Q85 WeakPolarHBondContact O-CB 3.43Å; F82-Q85 PolarHBondContact O-N 2.93Å; F82-R86 WeakPolarHBondContact O-CB 3.46Å; F82-R86 PolarHBondContact O-N 3.24Å; F82-L143 HydrophobicContact CD1-CD2 4.36Å; F82-L143 HydrophobicContact CD2-CD1 4.23Å; F82-L143 HydrophobicContact CD2-CD2 4.23Å; F82-L143 HydrophobicContact CE1-CD2 4Å; F82-L143 HydrophobicContact CE2-CD1 4.29Å; F82-L143 HydrophobicContact CE2-CD2 3.88Å; F82-L143 HydrophobicContact CE2-CG 4.46Å; F82-L143 HydrophobicContact CG-CD2 4.46Å; F82-L143 HydrophobicContact CZ-CD2 3.74Å; F82-I191 HydrophobicContact CE1-CG2 4.02Å; F82-I191 HydrophobicContact CE2-CG2 4.1Å; F82-I191 HydrophobicContact CZ-CG2 3.36Å; F82-W192 HydrophobicContact CE2-CH2 4.35Å; F82-W192 HydrophobicContact CE2-CZ3 4.41Å; F82-W192 HydrophobicContact CZ-CH2 4.38Å; F82-W192 HydrophobicContact CZ-CZ3 4Å
83	Q	96.3	Very high	95.6	Very high	90 Å²	90	26.2 Å²	26.2	42%	0.421	14%	0.141	S	C	.	.	H	α-helix	trans	-63.9	-40.9	172.4	-71.5	179.2	-27.4	0	0	112.1	M53 H79 S80 A81 Q85 R86 S87	M53-Q83 HydrophobicContact CE-CG 3.77Å; H79-Q83 PolarHBondContact CE1-NE2 3.05Å; H79-Q83 WeakPolarHBondContact O-CG 3.37Å; H79-Q83 PolarHBondContact O-N 2.8Å; S80-Q83 PolarHBondContact O-N 2.82Å; A81-Q83 VanDerWaalsContact C-N 3.33Å; A81-Q83 PolarHBondContact O-N 3.03Å; Q83-Q85 VanDerWaalsContact C-N 3.35Å; Q83-R86 PolarHBondContact O-N 3.41Å; Q83-S87 PolarHBondContact O-N 2.97Å; Q83-S87 PolarHBondContact O-OG 3.39Å
84	A	94.9	Very high	95.1	Very high	21 Å²	21	27.4 Å²	27.4	17%	0.174	14%	0.142	C	C	.	.	H	α-helix	trans	-63	-42.4	173.6	0	0	0	0	0	111.4	S80 A81 R86 S87 F88 I110	S80-A84 PolarHBondContact O-N 2.77Å; S80-A84 VanDerWaalsContact O-N 3.08Å; A81-A84 WeakPolarHBondContact O-CB 3.39Å; A81-A84 PolarHBondContact O-N 2.82Å; A84-R86 PolarHBondContact O-N 3.42Å; A84-S87 PolarHBondContact O-N 2.79Å; A84-F88 PolarHBondContact O-N 2.85Å; A84-I110 HydrophobicContact CB-CG1 3.94Å
85	Q	95.1	Very high	94.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-58.5	-46.9	174.4	-163	78.6	5.9	0	0	111.8	F49 A81 F82 Q83 S87 F88 L89 L143	F49-Q85 HydrophobicContact CE1-CB 4.36Å; F49-Q85 HydrophobicContact CE2-CG 4.34Å; F49-Q85 HydrophobicContact CZ-CB 3.96Å; F49-Q85 HydrophobicContact CZ-CG 3.84Å; A81-Q85 PolarHBondContact O-N 2.84Å; F82-Q85 WeakPolarHBondContact O-CB 3.43Å; F82-Q85 PolarHBondContact O-N 2.93Å; Q83-Q85 VanDerWaalsContact C-N 3.35Å; Q85-S87 PolarHBondContact O-N 3.27Å; Q85-F88 WeakPolarHBondContact O-CB 3.39Å; Q85-F88 PolarHBondContact O-N 3.34Å; Q85-F88 VanDerWaalsContact O-N 3.16Å; Q85-L89 HydrophobicContact CG-CD1 4.34Å; Q85-L89 WeakPolarHBondContact O-CG 3.42Å; Q85-L89 PolarHBondContact O-N 3.36Å; Q85-L143 HydrophobicContact CG-CD2 4.41Å; Q85-L143 PolarHBondContact NE2-O 2.87Å; Q85-L143 PolarHBondContact OE1-O 3.19Å
86	R	95.6	Very high	94.4	Very high	69 Å²	69	32.2 Å²	32.2	26%	0.26	16%	0.164	S	C	.	.	H	α-helix	trans	-57.8	-47.3	177.3	-175.3	-164.5	178.1	-79.3	-11.9	111.6	F49 D50 M53 F82 Q83 A84 F88 L89 L90	F49-R86 HydrophobicContact CD1-CB 3.91Å; F49-R86 HydrophobicContact CD1-CG 4.15Å; F49-R86 HydrophobicContact CE1-CB 3.82Å; D50-R86 VanDerWaalsContact OD1-CD 3.27Å; D50-R86 WeakPolarHBondContact OD1-CD 3.37Å; D50-R86 IonicContact OD1-CZ 2.77Å; D50-R86 IonicContact OD1-NE 3.44Å; D50-R86 PolarHBondContact OD1-NE 3.17Å; D50-R86 IonicContact OD1-NH2 3.23Å; D50-R86 IonicContact OD2-CZ 2.75Å; D50-R86 IonicContact OD2-NE 2.67Å; D50-R86 PolarHBondContact OD2-NE 2.98Å; D50-R86 IonicContact OD2-NH2 3.43Å; D50-R86 PolarHBondContact OD2-NH2 3.12Å; M53-R86 HydrophobicContact SD-CB 3.95Å; M53-R86 HydrophobicContact SD-CG 4.34Å; F82-R86 WeakPolarHBondContact O-CB 3.46Å; F82-R86 PolarHBondContact O-N 3.24Å; Q83-R86 PolarHBondContact O-N 3.41Å; A84-R86 PolarHBondContact O-N 3.42Å; R86-F88 VanDerWaalsContact C-N 3.25Å; R86-F88 PolarHBondContact O-N 3.44Å; R86-L89 PolarHBondContact O-N 2.85Å; R86-L90 PolarHBondContact O-N 2.67Å
87	S	93.2	Very high	94	Very high	44 Å²	44	35.7 Å²	35.7	31%	0.308	18%	0.18	S	C	.	.	H	α-helix	trans	-59.9	-38.4	177.7	-63.9	0	0	0	0	111.7	Q83 A84 Q85 L90 M91	Q83-S87 PolarHBondContact O-N 2.97Å; Q83-S87 PolarHBondContact O-OG 3.39Å; A84-S87 PolarHBondContact O-N 2.79Å; Q85-S87 PolarHBondContact O-N 3.27Å; S87-L90 PolarHBondContact O-N 3.19Å; S87-M91 PolarHBondContact O-N 2.75Å
88	F	93.6	Very high	93.5	Very high	14 Å²	14	34.6 Å²	34.6	6%	0.061	18%	0.175	C	C	.	.	H	α-helix	trans	-68	-42.8	175.2	-167	-82.1	0	0	0	112.5	A84 Q85 R86 L90 M91 A92 L106 L107 I110 I146 L207 W209	A84-F88 PolarHBondContact O-N 2.85Å; Q85-F88 WeakPolarHBondContact O-CB 3.39Å; Q85-F88 PolarHBondContact O-N 3.34Å; Q85-F88 VanDerWaalsContact O-N 3.16Å; R86-F88 VanDerWaalsContact C-N 3.25Å; R86-F88 PolarHBondContact O-N 3.44Å; F88-L90 VanDerWaalsContact C-N 3.31Å; F88-L90 PolarHBondContact O-N 2.88Å; F88-M91 HydrophobicContact CD2-CE 3.67Å; F88-M91 HydrophobicContact CE1-CE 4.5Å; F88-M91 HydrophobicContact CE2-CE 3.6Å; F88-M91 HydrophobicContact CG-CE 4.18Å; F88-M91 HydrophobicContact CZ-CE 4.04Å; F88-M91 WeakPolarHBondContact O-CB 3.37Å; F88-M91 PolarHBondContact O-N 2.9Å; F88-A92 WeakPolarHBondContact O-CB 3.43Å; F88-A92 PolarHBondContact O-N 2.8Å; F88-L106 HydrophobicContact CE2-CB 3.92Å; F88-L106 WeakPolarHBondContact CE2-O 3.09Å; F88-L107 HydrophobicContact CE1-CD2 4.36Å; F88-L107 HydrophobicContact CE2-CD2 3.83Å; F88-L107 HydrophobicContact CE2-CG 4.4Å; F88-L107 HydrophobicContact CZ-CD2 3.7Å; F88-L107 HydrophobicContact CZ-CG 4.41Å; F88-I110 HydrophobicContact CB-CD1 3.66Å; F88-I110 HydrophobicContact CD2-CD1 4.03Å; F88-I110 HydrophobicContact CG-CD1 3.9Å; F88-I146 HydrophobicContact CD1-CD1 3.73Å; F88-I146 HydrophobicContact CD2-CD1 4.43Å; F88-I146 HydrophobicContact CE1-CB 4.41Å; F88-I146 HydrophobicContact CE1-CD1 3.87Å; F88-I146 HydrophobicContact CG-CD1 4.04Å; F88-I146 HydrophobicContact CZ-CD1 4.27Å; F88-L207 HydrophobicContact CD1-CD2 4.08Å; F88-L207 HydrophobicContact CE1-CD2 3.46Å; F88-L207 VanDerWaalsContact CE1-CD2 3.46Å; F88-W209 HydrophobicContact CE1-CH2 4.08Å; F88-W209 HydrophobicContact CE1-CZ2 4.17Å; F88-W209 AromaticContact CZ-CH2 3.91Å; F88-W209 HydrophobicContact CZ-CH2 3.91Å; F88-W209 HydrophobicContact CZ-CZ2 4.14Å
89	L	94.4	Very high	92.8	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.021	20%	0.203	C	C	.	.	H	α-helix	trans	-62.9	-38.5	175.8	-68.9	170.4	0	0	0	111.7	V46 F49 Q85 R86 A92 S93 W145 I146 Y198 L207	V46-L89 HydrophobicContact CG2-CB 4.31Å; F49-L89 HydrophobicContact CB-CD1 4.12Å; F49-L89 HydrophobicContact CD1-CD1 3.96Å; F49-L89 HydrophobicContact CD2-CD1 3.54Å; F49-L89 HydrophobicContact CE1-CD1 4.23Å; F49-L89 HydrophobicContact CE2-CD1 3.85Å; F49-L89 HydrophobicContact CG-CD1 3.59Å; F49-L89 HydrophobicContact CZ-CD1 4.17Å; Q85-L89 HydrophobicContact CG-CD1 4.34Å; Q85-L89 WeakPolarHBondContact O-CG 3.42Å; Q85-L89 PolarHBondContact O-N 3.36Å; R86-L89 PolarHBondContact O-N 2.85Å; L89-A92 PolarHBondContact O-N 2.58Å; L89-S93 WeakPolarHBondContact O-CB 3.11Å; L89-S93 PolarHBondContact O-N 3.26Å; L89-W145 HydrophobicContact CD2-CH2 4.07Å; L89-W145 HydrophobicContact CD2-CZ2 4.01Å; L89-I146 HydrophobicContact CD2-CG2 4.35Å; L89-Y198 HydrophobicContact CD1-CE1 4.35Å; L89-L207 HydrophobicContact CD2-CD1 3.55Å
90	L	92.9	Very high	91.9	Very high	24 Å²	24	47 Å²	47	13%	0.126	23%	0.233	C	C	.	.	H	α-helix	trans	-61.7	-46	173.8	-177.9	60.9	0	0	0	111.4	V46 R86 S87 F88 S93 Q94 V224	V46-L90 HydrophobicContact CG1-CB 4.49Å; V46-L90 HydrophobicContact CG1-CD1 4.43Å; V46-L90 HydrophobicContact CG2-CB 4.49Å; V46-L90 HydrophobicContact CG2-CD1 4.49Å; R86-L90 PolarHBondContact O-N 2.67Å; S87-L90 PolarHBondContact O-N 3.19Å; F88-L90 VanDerWaalsContact C-N 3.31Å; F88-L90 PolarHBondContact O-N 2.88Å; L90-S93 PolarHBondContact O-N 2.89Å; L90-S93 PolarHBondContact O-OG 3.01Å; L90-Q94 WeakPolarHBondContact O-CG 3.29Å; L90-Q94 PolarHBondContact O-N 3.31Å; L90-V224 HydrophobicContact CB-CG1 4.38Å; L90-V224 HydrophobicContact CD2-CG1 3.73Å; L90-V224 HydrophobicContact CG-CG1 4.02Å
91	M	90.9	Very high	91	Very high	6 Å²	6	52 Å²	52	3%	0.03	26%	0.256	C	S	.	.	H	α-helix	trans	-59.8	-48.9	173.1	-179	-174.5	65.3	0	0	111.2	S87 F88 S93 Q94 Y95 L106 W209 A221 V224	S87-M91 PolarHBondContact O-N 2.75Å; F88-M91 HydrophobicContact CD2-CE 3.67Å; F88-M91 HydrophobicContact CE1-CE 4.5Å; F88-M91 HydrophobicContact CE2-CE 3.6Å; F88-M91 HydrophobicContact CG-CE 4.18Å; F88-M91 HydrophobicContact CZ-CE 4.04Å; F88-M91 WeakPolarHBondContact O-CB 3.37Å; F88-M91 PolarHBondContact O-N 2.9Å; M91-S93 PolarHBondContact O-N 2.72Å; M91-Q94 PolarHBondContact O-N 2.8Å; M91-Y95 HydrophobicContact CG-CD2 3.86Å; M91-Y95 HydrophobicContact CG-CE2 4.4Å; M91-Y95 HydrophobicContact CG-CG 4.44Å; M91-Y95 VanDerWaalsContact O-CD2 3.29Å; M91-Y95 WeakPolarHBondContact O-CD2 3.37Å; M91-Y95 PolarHBondContact O-N 2.84Å; M91-L106 HydrophobicContact CE-CB 4.38Å; M91-L106 HydrophobicContact CE-CD1 4.32Å; M91-L106 HydrophobicContact CE-CD2 4.08Å; M91-L106 HydrophobicContact SD-CD2 3.94Å; M91-W209 HydrophobicContact CE-CH2 4.34Å; M91-W209 HydrophobicContact CE-CZ3 4.47Å; M91-A221 HydrophobicContact SD-CB 4.19Å; M91-V224 HydrophobicContact CB-CG2 4.21Å
92	A	91.9	Very high	90.3	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.008	27%	0.268	C	S	.	.	H	α-helix	trans	-59.4	-31.6	179.3	0	0	0	0	0	112.6	F88 L89 Q94 L207 W209 S210	F88-A92 WeakPolarHBondContact O-CB 3.43Å; F88-A92 PolarHBondContact O-N 2.8Å; L89-A92 PolarHBondContact O-N 2.58Å; A92-Q94 VanDerWaalsContact C-N 3.29Å; A92-Q94 PolarHBondContact O-N 3.13Å; A92-L207 HydrophobicContact CB-CD1 4.14Å; A92-L207 HydrophobicContact CB-CD2 3.87Å; A92-L207 HydrophobicContact CB-CG 4.18Å; A92-W209 HydrophobicContact CB-CD2 4.21Å; A92-W209 HydrophobicContact CB-CE3 3.93Å; A92-W209 HydrophobicContact CB-CH2 4.47Å; A92-W209 HydrophobicContact CB-CZ3 4.06Å; A92-W209 CarbonylContact O-C 2.96Å; A92-W209 WeakPolarHBondContact O-CA 3.47Å; A92-S210 PolarHBondContact O-N 3.4Å
93	S	92.3	Very high	89.5	Confident	28 Å²	28	56.4 Å²	56.4	20%	0.196	28%	0.282	C	S	.	.	H	α-helix	trans	-72.3	-18.6	176.9	78.3	0	0	0	0	114.6	L89 L90 M91 S210	L89-S93 WeakPolarHBondContact O-CB 3.11Å; L89-S93 PolarHBondContact O-N 3.26Å; L90-S93 PolarHBondContact O-N 2.89Å; L90-S93 PolarHBondContact O-OG 3.01Å; M91-S93 PolarHBondContact O-N 2.72Å; S93-S210 WeakPolarHBondContact O-CB 3.29Å
94	Q	88.6	Confident	88.8	Confident	90 Å²	90	55.5 Å²	55.5	42%	0.421	29%	0.29	S	S	.	.	H	α-helix	trans	-109	-23.2	-175.4	-66.8	176.4	8.1	0	0	113.4	L90 M91 A92	L90-Q94 WeakPolarHBondContact O-CG 3.29Å; L90-Q94 PolarHBondContact O-N 3.31Å; M91-Q94 PolarHBondContact O-N 2.8Å; A92-Q94 VanDerWaalsContact C-N 3.29Å; A92-Q94 PolarHBondContact O-N 3.13Å
95	Y	90.1	Very high	88.4	Confident	29 Å²	29	58.1 Å²	58.1	11%	0.114	30%	0.304	C	S	.	.	S	Bend	trans	-118.4	152	-172.9	-66.4	-99.3	0	0	0	111.2	M91 S210 P214 A216 S220 V224	M91-Y95 HydrophobicContact CG-CD2 3.86Å; M91-Y95 HydrophobicContact CG-CE2 4.4Å; M91-Y95 HydrophobicContact CG-CG 4.44Å; M91-Y95 VanDerWaalsContact O-CD2 3.29Å; M91-Y95 WeakPolarHBondContact O-CD2 3.37Å; M91-Y95 PolarHBondContact O-N 2.84Å; Y95-S210 WeakPolarHBondContact O-CB 3.3Å; Y95-S210 PolarHBondContact O-N 3.48Å; Y95-S210 VanDerWaalsContact O-N 3.11Å; Y95-P214 CarbonylContact C-O 3.52Å; Y95-P214 VanDerWaalsContact CA-O 3.31Å; Y95-P214 WeakPolarHBondContact CA-O 3.33Å; Y95-P214 WeakPolarHBondContact CB-O 3.39Å; Y95-P214 HydrophobicContact CD1-CB 4.24Å; Y95-P214 HydrophobicContact CD1-CG 3.64Å; Y95-P214 WeakPolarHBondContact CD1-O 3.32Å; Y95-P214 HydrophobicContact CE1-CB 4.36Å; Y95-P214 HydrophobicContact CE1-CG 3.52Å; Y95-A216 HydrophobicContact CG-CB 4.38Å; Y95-S220 VanDerWaalsContact CD1-OG 3.31Å; Y95-S220 WeakPolarHBondContact CD1-OG 3.5Å; Y95-S220 WeakPolarHBondContact CE1-OG 3.48Å; Y95-V224 HydrophobicContact CE2-CG2 4.04Å
96	Q	89.5	Confident	88.1	Confident	75 Å²	75	58.6 Å²	58.6	35%	0.35	31%	0.306	S	S	.	.	B	Isolated β-bridge	trans	-74	159.6	170.9	-61.9	-176.9	33.5	0	0	110.8	S210 G213 P214 V215 A216	Q96-S210 WeakPolarHBondContact CA-O 3.35Å; Q96-S210 WeakPolarHBondContact CG-O 3.43Å; Q96-G213 WeakPolarHBondContact CG-O 3.4Å; Q96-G213 PolarHBondContact NE2-O 3.41Å; Q96-P214 PolarHBondContact N-O 3.27Å; Q96-V215 HydrophobicContact CB-CG2 4.45Å; Q96-A216 WeakPolarHBondContact O-CB 3.47Å; Q96-A216 PolarHBondContact O-N 3.08Å
97	Q	88.5	Confident	87.8	Confident	135 Å²	135	56.9 Å²	56.9	63%	0.631	30%	0.302	S	S	*	.	P	Polyproline II helix	trans	-53.4	128.5	-179.2	-172.5	174.7	1.3	0	0	111.4	W209	Q97-W209 HydrophobicContact CB-CB 4.16Å; Q97-W209 HydrophobicContact CB-CD2 4.04Å; Q97-W209 HydrophobicContact CB-CG 3.73Å; Q97-W209 HydrophobicContact CG-CD2 4.34Å; Q97-W209 HydrophobicContact CG-CG 4.23Å
98	P	87.6	Confident	87.6	Confident	9 Å²	9	60.3 Å²	60.3	6%	0.058	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-67.3	159.3	180	26.1	-33.6	0	0	0	111.6	D102 V103 L106 W209 A216	P98-D102 HydrophobicContact CB-CB 4.1Å; P98-V103 HydrophobicContact CB-CG2 4.37Å; P98-V103 HydrophobicContact CG-CG2 3.74Å; P98-L106 HydrophobicContact CB-CD1 3.66Å; P98-L106 HydrophobicContact CG-CD1 3.71Å; P98-W209 VanDerWaalsContact CD-CZ2 3.42Å; P98-W209 VanDerWaalsContact CD-CZ3 3.47Å; P98-W209 HydrophobicContact CG-CH2 3.73Å; P98-W209 HydrophobicContact CG-CZ2 3.98Å; P98-W209 HydrophobicContact CG-CZ3 4.29Å; P98-A216 HydrophobicContact CB-CB 4.03Å; P98-A216 WeakPolarHBondContact CB-O 3.14Å; P98-A216 HydrophobicContact CG-CB 4.3Å
99	H	85	Confident	87.5	Confident	129 Å²	129	63 Å²	63	60%	0.597	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-65.2	152.2	167.9	-68.6	-64.8	0	0	0	110.8	N101 D102 V103	H99-N101 PolarHBondContact O-N 3.1Å; H99-N101 VanDerWaalsContact O-N 3.08Å; H99-D102 PolarHBondContact O-N 2.95Å; H99-V103 PolarHBondContact O-N 2.85Å
100	E	78.1	Confident	87.4	Confident	178 Å²	178	63.1 Å²	63.1	83%	0.832	33%	0.331	S	S	*	.	H	α-helix	trans	-55.1	-34	-172.7	-156	171.2	-165.4	0	0	113.2	D102	E100-D102 VanDerWaalsContact C-N 3.31Å; E100-D102 PolarHBondContact O-N 2.95Å
101	N	78.1	Confident	87.4	Confident	145 Å²	145	65.2 Å²	65.2	78%	0.775	35%	0.347	S	S	*	.	H	α-helix	trans	-67.6	-26.6	176.1	-64.4	-36.1	0	0	0	113.8	H99	H99-N101 PolarHBondContact O-N 3.1Å; H99-N101 VanDerWaalsContact O-N 3.08Å
102	D	81.7	Confident	87.6	Confident	45 Å²	45	69.3 Å²	69.3	24%	0.241	37%	0.367	C	S	.	.	H	α-helix	trans	-93	-23.4	-177	-65.8	-42.2	0	0	0	112.4	P98 H99 E100 A104 T105 L106	P98-D102 HydrophobicContact CB-CB 4.1Å; H99-D102 PolarHBondContact O-N 2.95Å; E100-D102 VanDerWaalsContact C-N 3.31Å; E100-D102 PolarHBondContact O-N 2.95Å; D102-A104 VanDerWaalsContact C-N 3.34Å; D102-A104 PolarHBondContact O-N 2.77Å; D102-T105 PolarHBondContact O-N 2.88Å; D102-L106 WeakPolarHBondContact O-CG 3.42Å; D102-L106 PolarHBondContact O-N 3.26Å
103	V	81	Confident	87.9	Confident	48 Å²	48	72.3 Å²	72.3	29%	0.291	38%	0.379	S	S	.	.	H	α-helix	trans	-54.7	-48.6	-179.9	175.4	0	0	0	0	111.2	P98 H99 T105 L106 L107	P98-V103 HydrophobicContact CB-CG2 4.37Å; P98-V103 HydrophobicContact CG-CG2 3.74Å; H99-V103 PolarHBondContact O-N 2.85Å; V103-T105 VanDerWaalsContact C-N 3.3Å; V103-T105 PolarHBondContact O-N 2.79Å; V103-L106 PolarHBondContact O-N 2.76Å; V103-L107 HydrophobicContact CG1-CD1 3.68Å; V103-L107 HydrophobicContact CG1-CG 4.31Å; V103-L107 WeakPolarHBondContact O-CG 3.37Å; V103-L107 PolarHBondContact O-N 2.82Å
104	A	82.4	Confident	88	Confident	72 Å²	72	72 Å²	72	60%	0.595	38%	0.375	S	S	*	.	H	α-helix	trans	-61.3	-39.5	-178.4	0	0	0	0	0	112	D102 K108	D102-A104 VanDerWaalsContact C-N 3.34Å; D102-A104 PolarHBondContact O-N 2.77Å; A104-K108 PolarHBondContact O-N 2.91Å
105	T	86.9	Confident	88.4	Confident	75 Å²	75	73.4 Å²	73.4	46%	0.46	38%	0.382	S	S	.	.	H	α-helix	trans	-69.7	-39.6	178.9	-53.5	0	0	0	0	111.5	D102 V103 K108 T218	D102-T105 PolarHBondContact O-N 2.88Å; V103-T105 VanDerWaalsContact C-N 3.3Å; V103-T105 PolarHBondContact O-N 2.79Å; T105-K108 VanDerWaalsContact O-CB 3.28Å; T105-K108 WeakPolarHBondContact O-CB 3.23Å; T105-K108 PolarHBondContact O-N 3.1Å; T105-T218 HydrophobicContact CG2-CG2 3.54Å
106	L	87.4	Confident	88.7	Confident	10 Å²	10	75.8 Å²	75.8	5%	0.052	39%	0.394	C	S	.	.	H	α-helix	trans	-69.2	-32.1	178.6	-69.5	171.8	0	0	0	112.7	F88 M91 P98 D102 V103 K108 P109 A216 A221	F88-L106 HydrophobicContact CE2-CB 3.92Å; F88-L106 WeakPolarHBondContact CE2-O 3.09Å; M91-L106 HydrophobicContact CE-CB 4.38Å; M91-L106 HydrophobicContact CE-CD1 4.32Å; M91-L106 HydrophobicContact CE-CD2 4.08Å; M91-L106 HydrophobicContact SD-CD2 3.94Å; P98-L106 HydrophobicContact CB-CD1 3.66Å; P98-L106 HydrophobicContact CG-CD1 3.71Å; D102-L106 WeakPolarHBondContact O-CG 3.42Å; D102-L106 PolarHBondContact O-N 3.26Å; V103-L106 PolarHBondContact O-N 2.76Å; L106-K108 VanDerWaalsContact C-N 3.33Å; L106-P109 WeakPolarHBondContact O-CD 3.48Å; L106-A216 HydrophobicContact CD1-CB 4.09Å; L106-A221 HydrophobicContact CD2-CB 3.96Å
107	L	89.8	Confident	89.1	Confident	34 Å²	34	72.2 Å²	72.2	18%	0.178	38%	0.378	C	S	.	.	H	α-helix	trans	-78.8	-16.6	177.1	-69.8	173	0	0	0	113.5	F88 V103 P109 I110 S111 I146 A147	F88-L107 HydrophobicContact CE1-CD2 4.36Å; F88-L107 HydrophobicContact CE2-CD2 3.83Å; F88-L107 HydrophobicContact CE2-CG 4.4Å; F88-L107 HydrophobicContact CZ-CD2 3.7Å; F88-L107 HydrophobicContact CZ-CG 4.41Å; V103-L107 HydrophobicContact CG1-CD1 3.68Å; V103-L107 HydrophobicContact CG1-CG 4.31Å; V103-L107 WeakPolarHBondContact O-CG 3.37Å; V103-L107 PolarHBondContact O-N 2.82Å; L107-P109 VanDerWaalsContact C-CD 3.46Å; L107-I110 PolarHBondContact O-N 3.09Å; L107-I110 VanDerWaalsContact O-N 3.13Å; L107-S111 PolarHBondContact O-N 3.13Å; L107-I146 HydrophobicContact CD2-CD1 3.35Å; L107-I146 HydrophobicContact CD2-CG1 3.8Å; L107-A147 HydrophobicContact CD1-CB 3.78Å
108	K	89.5	Confident	89.5	Confident	115 Å²	115	68.7 Å²	68.7	50%	0.5	36%	0.361	S	S	.	.	H	α-helix	trans	-51.4	-45.8	-174.6	-164.5	-174	-170.9	-119.1	0	114	A104 T105 L106 I110 S111 E112	A104-K108 PolarHBondContact O-N 2.91Å; T105-K108 VanDerWaalsContact O-CB 3.28Å; T105-K108 WeakPolarHBondContact O-CB 3.23Å; T105-K108 PolarHBondContact O-N 3.1Å; L106-K108 VanDerWaalsContact C-N 3.33Å; K108-I110 VanDerWaalsContact C-N 3.29Å; K108-I110 PolarHBondContact O-N 3.17Å; K108-S111 WeakPolarHBondContact O-CB 3.47Å; K108-S111 PolarHBondContact O-N 3.2Å; K108-E112 WeakPolarHBondContact CE-OE1 3.14Å; K108-E112 HydrophobicContact CG-CG 4.28Å; K108-E112 IonicContact NZ-OE1 3.67Å; K108-E112 PolarHBondContact NZ-OE1 2.92Å; K108-E112 WeakPolarHBondContact O-CG 3.24Å; K108-E112 PolarHBondContact O-N 3.18Å
109	P	91.1	Very high	89.9	Confident	71 Å²	71	69.8 Å²	69.8	46%	0.461	37%	0.367	S	S	.	.	H	α-helix	trans	-60.6	-36.9	-178.8	-24.6	36.2	0	0	0	113.6	L106 L107 K113	L106-P109 WeakPolarHBondContact O-CD 3.48Å; L107-P109 VanDerWaalsContact C-CD 3.46Å; P109-K113 WeakPolarHBondContact O-CG 3.08Å; P109-K113 PolarHBondContact O-N 2.88Å
110	I	92.8	Very high	90.5	Very high	6 Å²	6	65 Å²	65	3%	0.031	35%	0.345	C	S	.	.	H	α-helix	trans	-74	-42.3	177.8	-67.3	162.1	0	0	0	109.9	A84 F88 L107 K108 E112 K113 I114 L143 I146	A84-I110 HydrophobicContact CB-CG1 3.94Å; F88-I110 HydrophobicContact CB-CD1 3.66Å; F88-I110 HydrophobicContact CD2-CD1 4.03Å; F88-I110 HydrophobicContact CG-CD1 3.9Å; L107-I110 PolarHBondContact O-N 3.09Å; L107-I110 VanDerWaalsContact O-N 3.13Å; K108-I110 VanDerWaalsContact C-N 3.29Å; K108-I110 PolarHBondContact O-N 3.17Å; I110-E112 VanDerWaalsContact C-N 3.33Å; I110-E112 PolarHBondContact O-N 2.96Å; I110-K113 PolarHBondContact O-N 2.92Å; I110-I114 HydrophobicContact CG2-CD1 3.9Å; I110-I114 HydrophobicContact CG2-CG1 4.46Å; I110-I114 WeakPolarHBondContact O-CG1 3.35Å; I110-I114 PolarHBondContact O-N 2.98Å; I110-L143 HydrophobicContact CG2-CB 4.41Å; I110-I146 HydrophobicContact CD1-CD1 3.39Å
111	S	93.1	Very high	91.4	Very high	68 Å²	68	57.6 Å²	57.6	48%	0.476	31%	0.31	S	S	.	.	H	α-helix	trans	-58.7	-43.3	175.6	-172.9	0	0	0	0	112.3	L107 K108 K113 I114 Q115	L107-S111 PolarHBondContact O-N 3.13Å; K108-S111 WeakPolarHBondContact O-CB 3.47Å; K108-S111 PolarHBondContact O-N 3.2Å; S111-K113 VanDerWaalsContact C-N 3.35Å; S111-I114 PolarHBondContact O-N 2.81Å; S111-Q115 WeakPolarHBondContact O-CB 3.47Å; S111-Q115 PolarHBondContact O-N 2.94Å
112	E	95	Very high	92.2	Very high	93 Å²	93	56 Å²	56	44%	0.435	30%	0.297	S	S	.	.	H	α-helix	trans	-63.5	-40.4	177.2	-74.7	175.3	170.6	0	0	111.4	K108 I110 Q115 E116	K108-E112 WeakPolarHBondContact CE-OE1 3.14Å; K108-E112 HydrophobicContact CG-CG 4.28Å; K108-E112 IonicContact NZ-OE1 3.67Å; K108-E112 PolarHBondContact NZ-OE1 2.92Å; K108-E112 WeakPolarHBondContact O-CG 3.24Å; K108-E112 PolarHBondContact O-N 3.18Å; I110-E112 VanDerWaalsContact C-N 3.33Å; I110-E112 PolarHBondContact O-N 2.96Å; E112-Q115 PolarHBondContact O-N 2.8Å; E112-E116 WeakPolarHBondContact O-CB 3.13Å; E112-E116 PolarHBondContact O-N 2.99Å
113	K	96.8	Very high	92.9	Very high	63 Å²	63	63.4 Å²	63.4	27%	0.274	32%	0.322	S	S	.	.	H	α-helix	trans	-65.9	-41.4	175.7	-72.4	-73.6	159.5	-158.1	0	112.7	A81 P109 I110 S111 Q115 E116 I117	A81-K113 HydrophobicContact CB-CB 3.88Å; P109-K113 WeakPolarHBondContact O-CG 3.08Å; P109-K113 PolarHBondContact O-N 2.88Å; I110-K113 PolarHBondContact O-N 2.92Å; S111-K113 VanDerWaalsContact C-N 3.35Å; K113-Q115 VanDerWaalsContact C-N 3.34Å; K113-E116 IonicContact NZ-OE2 3.22Å; K113-E116 PolarHBondContact NZ-OE2 3.36Å; K113-E116 PolarHBondContact O-N 3.24Å; K113-I117 WeakPolarHBondContact O-CD1 3.48Å; K113-I117 VanDerWaalsContact O-CG1 3.3Å; K113-I117 WeakPolarHBondContact O-CG1 3.35Å; K113-I117 PolarHBondContact O-N 3.29Å; K113-I117 VanDerWaalsContact O-N 3.13Å
114	I	95.7	Very high	93.6	Very high	21 Å²	21	63.4 Å²	63.4	11%	0.108	32%	0.32	C	S	.	.	H	α-helix	trans	-59.1	-48.3	173.5	-71.4	167.2	0	0	0	109.9	I110 S111 E116 I117 Q118 I140 P141 L143	I110-I114 HydrophobicContact CG2-CD1 3.9Å; I110-I114 HydrophobicContact CG2-CG1 4.46Å; I110-I114 WeakPolarHBondContact O-CG1 3.35Å; I110-I114 PolarHBondContact O-N 2.98Å; S111-I114 PolarHBondContact O-N 2.81Å; I114-E116 PolarHBondContact O-N 3.4Å; I114-I117 PolarHBondContact O-N 2.77Å; I114-Q118 WeakPolarHBondContact O-CG 2.95Å; I114-Q118 PolarHBondContact O-N 2.72Å; I114-I140 HydrophobicContact CG1-CG1 4.42Å; I114-I140 HydrophobicContact CG2-CG2 4.23Å; I114-P141 HydrophobicContact CG2-CG 4.37Å; I114-L143 HydrophobicContact CD1-CB 4.17Å; I114-L143 HydrophobicContact CG1-CB 4.49Å
115	Q	95.7	Very high	94.1	Very high	120 Å²	120	66.7 Å²	66.7	56%	0.561	32%	0.317	S	S	*	.	H	α-helix	trans	-65	-38.5	-179.8	-170.8	177.5	18.2	0	0	112.3	S111 E112 K113 I117 Q118 T119	S111-Q115 WeakPolarHBondContact O-CB 3.47Å; S111-Q115 PolarHBondContact O-N 2.94Å; E112-Q115 PolarHBondContact O-N 2.8Å; K113-Q115 VanDerWaalsContact C-N 3.34Å; Q115-I117 VanDerWaalsContact C-N 3.34Å; Q115-I117 PolarHBondContact O-N 3.05Å; Q115-Q118 PolarHBondContact O-N 3.13Å; Q115-T119 VanDerWaalsContact O-CB 3.26Å; Q115-T119 WeakPolarHBondContact O-CB 3.14Å; Q115-T119 PolarHBondContact O-N 2.91Å; Q115-T119 PolarHBondContact O-OG1 3.4Å
116	E	97.4	Very high	94.4	Very high	79 Å²	79	66.7 Å²	66.7	37%	0.369	33%	0.332	S	S	.	.	H	α-helix	trans	-57.4	-47.4	174.8	-176.8	-178.6	-178.9	0	0	111	E112 K113 I114 T119 F120	E112-E116 WeakPolarHBondContact O-CB 3.13Å; E112-E116 PolarHBondContact O-N 2.99Å; K113-E116 IonicContact NZ-OE2 3.22Å; K113-E116 PolarHBondContact NZ-OE2 3.36Å; K113-E116 PolarHBondContact O-N 3.24Å; I114-E116 PolarHBondContact O-N 3.4Å; E116-T119 PolarHBondContact O-N 3.35Å; E116-F120 PolarHBondContact O-N 2.89Å
117	I	97.8	Very high	94.7	Very high	1 Å²	1	67.1 Å²	67.1	1%	0.005	34%	0.336	C	S	.	.	H	α-helix	trans	-63.7	-42.6	178.5	-69.1	165.5	0	0	0	111.2	H74 M77 V78 A81 K113 I114 Q115 F120 R121 V136 I140	H74-I117 WeakPolarHBondContact NE2-CG2 3.45Å; H74-I117 PolarHBondContact NE2-O 3.35Å; M77-I117 HydrophobicContact CB-CD1 4.24Å; M77-I117 HydrophobicContact CB-CG1 3.61Å; V78-I117 HydrophobicContact CG2-CD1 4.1Å; A81-I117 HydrophobicContact CB-CD1 3.85Å; K113-I117 WeakPolarHBondContact O-CD1 3.48Å; K113-I117 VanDerWaalsContact O-CG1 3.3Å; K113-I117 WeakPolarHBondContact O-CG1 3.35Å; K113-I117 PolarHBondContact O-N 3.29Å; K113-I117 VanDerWaalsContact O-N 3.13Å; I114-I117 PolarHBondContact O-N 2.77Å; Q115-I117 VanDerWaalsContact C-N 3.34Å; Q115-I117 PolarHBondContact O-N 3.05Å; I117-F120 PolarHBondContact O-N 3.15Å; I117-R121 PolarHBondContact O-N 3.25Å; I117-V136 HydrophobicContact CG2-CG1 3.7Å; I117-I140 HydrophobicContact CB-CG1 4.42Å; I117-I140 HydrophobicContact CB-CG2 4.27Å; I117-I140 HydrophobicContact CD1-CD1 3.9Å; I117-I140 HydrophobicContact CD1-CG1 3.63Å; I117-I140 HydrophobicContact CG2-CB 4.09Å; I117-I140 HydrophobicContact CG2-CG1 4.08Å; I117-I140 HydrophobicContact CG2-CG2 3.77Å
118	Q	96.6	Very high	94.8	Very high	61 Å²	61	72.9 Å²	72.9	29%	0.285	37%	0.367	S	S	.	.	H	α-helix	trans	-65	-46.7	177	-72.1	177.6	-37.7	0	0	111.7	I114 Q115 F120 R121 E122 S137 I140	I114-Q118 WeakPolarHBondContact O-CG 2.95Å; I114-Q118 PolarHBondContact O-N 2.72Å; Q115-Q118 PolarHBondContact O-N 3.13Å; Q118-F120 VanDerWaalsContact C-N 3.28Å; Q118-F120 PolarHBondContact O-N 2.78Å; Q118-R121 PolarHBondContact O-N 3.29Å; Q118-E122 WeakPolarHBondContact O-CG 3.29Å; Q118-E122 PolarHBondContact O-N 3.24Å; Q118-E122 VanDerWaalsContact O-N 3.09Å; Q118-S137 WeakPolarHBondContact CG-O 3.42Å; Q118-S137 PolarHBondContact NE2-O 2.96Å; Q118-I140 HydrophobicContact CG-CG2 4.13Å
119	T	95.4	Very high	95	Very high	31 Å²	31	69.7 Å²	69.7	19%	0.19	35%	0.354	C	S	.	.	H	α-helix	trans	-61.2	-37.3	178.2	-58.3	0	0	0	0	111.6	Q115 E116 R121 E122 R123	Q115-T119 VanDerWaalsContact O-CB 3.26Å; Q115-T119 WeakPolarHBondContact O-CB 3.14Å; Q115-T119 PolarHBondContact O-N 2.91Å; Q115-T119 PolarHBondContact O-OG1 3.4Å; E116-T119 PolarHBondContact O-N 3.35Å; T119-R121 VanDerWaalsContact C-N 3.34Å; T119-R121 PolarHBondContact O-N 3.5Å; T119-E122 PolarHBondContact O-N 3.43Å; T119-R123 HydrophobicContact CG2-CG 4.26Å; T119-R123 VanDerWaalsContact CG2-NE 3.32Å; T119-R123 WeakPolarHBondContact O-CG 3.4Å; T119-R123 PolarHBondContact O-N 3.46Å
120	F	97.6	Very high	95.3	Very high	30 Å²	30	68.5 Å²	68.5	13%	0.132	34%	0.342	C	S	.	.	H	α-helix	trans	-58.2	-46	176.5	-179.1	-97.2	0	0	0	111.7	D70 T73 H74 M77 E116 I117 Q118 E122 R123 N124 L133	D70-F120 HydrophobicContact CB-CE1 4.26Å; D70-F120 HydrophobicContact CB-CZ 4.29Å; T73-F120 HydrophobicContact CG2-CE2 3.68Å; T73-F120 HydrophobicContact CG2-CZ 3.77Å; H74-F120 HydrophobicContact CB-CD1 3.99Å; H74-F120 HydrophobicContact CB-CE1 3.85Å; H74-F120 AromaticContact CD2-CD1 3.5Å; H74-F120 AromaticContact CG-CD1 3.71Å; H74-F120 AromaticContact NE2-CD1 3.87Å; M77-F120 HydrophobicContact CE-CB 4.27Å; M77-F120 HydrophobicContact CE-CD2 3.56Å; M77-F120 HydrophobicContact CE-CE2 4.13Å; M77-F120 HydrophobicContact CE-CG 4.04Å; M77-F120 HydrophobicContact SD-CB 3.8Å; M77-F120 HydrophobicContact SD-CD1 4.48Å; M77-F120 HydrophobicContact SD-CD2 4.01Å; M77-F120 HydrophobicContact SD-CG 3.84Å; E116-F120 PolarHBondContact O-N 2.89Å; I117-F120 PolarHBondContact O-N 3.15Å; Q118-F120 VanDerWaalsContact C-N 3.28Å; Q118-F120 PolarHBondContact O-N 2.78Å; F120-E122 VanDerWaalsContact C-N 3.35Å; F120-E122 PolarHBondContact O-N 2.89Å; F120-R123 PolarHBondContact O-N 3.09Å; F120-N124 WeakPolarHBondContact CE2-ND2 3.39Å; F120-N124 WeakPolarHBondContact O-CB 3.34Å; F120-N124 PolarHBondContact O-N 2.85Å; F120-N124 PolarHBondContact O-ND2 3.19Å; F120-L133 HydrophobicContact CE1-CD1 4.39Å; F120-L133 HydrophobicContact CE1-CD2 4.04Å
121	R	97.4	Very high	95.6	Very high	22 Å²	22	70 Å²	70	8%	0.083	35%	0.35	C	S	.	.	H	α-helix	trans	-64.3	-40.6	175.6	179.4	-89.6	-173	160.9	9	111.7	I117 Q118 T119 R123 N124 F130 L133 S134 S137 E138	I117-R121 PolarHBondContact O-N 3.25Å; Q118-R121 PolarHBondContact O-N 3.29Å; T119-R121 VanDerWaalsContact C-N 3.34Å; T119-R121 PolarHBondContact O-N 3.5Å; R121-R123 VanDerWaalsContact C-N 3.31Å; R121-R123 PolarHBondContact O-N 3.03Å; R121-N124 CarbonylContact O-C 3.58Å; R121-N124 PolarHBondContact O-N 3.05Å; R121-F130 HydrophobicContact CG-CE2 4.05Å; R121-L133 HydrophobicContact CB-CB 4.03Å; R121-L133 HydrophobicContact CG-CB 3.66Å; R121-S134 PolarHBondContact NE-OG 3.43Å; R121-S134 VanDerWaalsContact NE-OG 3.08Å; R121-S134 PolarHBondContact NH2-OG 3.47Å; R121-S137 WeakPolarHBondContact CG-OG 3.34Å; R121-E138 IonicContact CZ-OE1 2.82Å; R121-E138 IonicContact NH1-OE1 3.63Å; R121-E138 PolarHBondContact NH1-OE1 3.22Å
122	E	94.6	Very high	95.8	Very high	110 Å²	110	66.9 Å²	66.9	51%	0.514	33%	0.328	S	S	.	.	H	α-helix	trans	-65.2	-31.9	179.1	-70.4	177.5	171.9	0	0	113.7	Q118 T119 F120 R125	Q118-E122 WeakPolarHBondContact O-CG 3.29Å; Q118-E122 PolarHBondContact O-N 3.24Å; Q118-E122 VanDerWaalsContact O-N 3.09Å; T119-E122 PolarHBondContact O-N 3.43Å; F120-E122 VanDerWaalsContact C-N 3.35Å; F120-E122 PolarHBondContact O-N 2.89Å; E122-R125 WeakPolarHBondContact O-CG 3.43Å
123	R	96.7	Very high	96	Very high	202 Å²	202	62.5 Å²	62.5	76%	0.762	31%	0.308	S	S	*	.	H	α-helix	trans	-77.2	-25.6	175.1	-70	176.3	-177.5	173.9	4.9	112.5	T119 F120 R121	T119-R123 HydrophobicContact CG2-CG 4.26Å; T119-R123 VanDerWaalsContact CG2-NE 3.32Å; T119-R123 WeakPolarHBondContact O-CG 3.4Å; T119-R123 PolarHBondContact O-N 3.46Å; F120-R123 PolarHBondContact O-N 3.09Å; R121-R123 VanDerWaalsContact C-N 3.31Å; R121-R123 PolarHBondContact O-N 3.03Å
124	N	95.2	Very high	96	Very high	47 Å²	47	59.5 Å²	59.5	25%	0.251	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	42.4	-176.1	-66.1	-67.6	0	0	0	113.1	F120 R121 G126 S127 L133	F120-N124 WeakPolarHBondContact CE2-ND2 3.39Å; F120-N124 WeakPolarHBondContact O-CB 3.34Å; F120-N124 PolarHBondContact O-N 2.85Å; F120-N124 PolarHBondContact O-ND2 3.19Å; R121-N124 CarbonylContact O-C 3.58Å; R121-N124 PolarHBondContact O-N 3.05Å; N124-G126 PolarHBondContact O-N 2.88Å; N124-S127 VanDerWaalsContact O-CB 3.26Å; N124-S127 WeakPolarHBondContact O-CB 3.34Å; N124-S127 PolarHBondContact O-N 2.92Å; N124-S127 VanDerWaalsContact O-N 3.07Å; N124-L133 HydrophobicContact CB-CD1 3.96Å
125	R	93.5	Very high	96.1	Very high	141 Å²	141	58.5 Å²	58.5	53%	0.532	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-23.2	-178.9	-51.7	-174	75.6	99.6	5.3	114.6	E122 S127 F130	E122-R125 WeakPolarHBondContact O-CG 3.43Å; R125-S127 VanDerWaalsContact C-N 3.3Å; R125-F130 HydrophobicContact CB-CE2 4.1Å; R125-F130 HydrophobicContact CG-CE2 4.23Å
126	G	92.6	Very high	96.3	Very high	76 Å²	76	52.9 Å²	52.9	78%	0.784	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	3	176.3	0	0	0	0	0	114.2	N124	N124-G126 PolarHBondContact O-N 2.88Å
127	S	94.1	Very high	96.3	Very high	19 Å²	19	49.2 Å²	49.2	13%	0.133	25%	0.246	C	C	.	.			trans	-62.9	136.1	-178.9	-175.7	0	0	0	0	111.5	D70 N124 R125 M129 F130	D70-S127 WeakPolarHBondContact OD2-CB 3.04Å; D70-S127 PolarHBondContact OD2-OG 3.42Å; N124-S127 VanDerWaalsContact O-CB 3.26Å; N124-S127 WeakPolarHBondContact O-CB 3.34Å; N124-S127 PolarHBondContact O-N 2.92Å; N124-S127 VanDerWaalsContact O-N 3.07Å; R125-S127 VanDerWaalsContact C-N 3.3Å; S127-M129 PolarHBondContact O-N 2.79Å; S127-M129 PolarHBondContact OG-N 2.96Å; S127-M129 VanDerWaalsContact OG-N 3.15Å; S127-F130 VanDerWaalsContact O-CB 3.3Å; S127-F130 WeakPolarHBondContact O-CB 3.26Å; S127-F130 PolarHBondContact O-N 2.8Å; S127-F130 VanDerWaalsContact O-N 3.14Å
128	N	92.4	Very high	96.2	Very high	154 Å²	154	52.9 Å²	52.9	82%	0.824	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-19.6	170.7	-66	-32.7	0	0	0	112
129	M	94.7	Very high	96.2	Very high	48 Å²	48	50 Å²	50	24%	0.236	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	24.2	178.2	-59.4	-58.7	176.2	0	0	112.2	V71 S127 N131 H132 L133	V71-M129 HydrophobicContact CG2-CB 3.61Å; V71-M129 HydrophobicContact CG2-CG 3.9Å; S127-M129 PolarHBondContact O-N 2.79Å; S127-M129 PolarHBondContact OG-N 2.96Å; S127-M129 VanDerWaalsContact OG-N 3.15Å; M129-N131 VanDerWaalsContact C-N 3.25Å; M129-N131 PolarHBondContact O-N 3.11Å; M129-N131 VanDerWaalsContact O-N 3.1Å; M129-H132 HydrophobicContact CB-CB 4.38Å; M129-H132 WeakPolarHBondContact O-CA 3.34Å; M129-H132 VanDerWaalsContact O-CB 3.26Å; M129-H132 WeakPolarHBondContact O-CB 3.23Å; M129-H132 PolarHBondContact O-N 3.27Å; M129-L133 PolarHBondContact O-N 3.39Å
130	F	97	Very high	96.4	Very high	46 Å²	46	48.5 Å²	48.5	20%	0.202	24%	0.241	C	C	.	.	H	α-helix	trans	-56.8	-32	-173.1	-172	-110.8	0	0	0	114.9	R121 R125 S127 H132 L133 S134	R121-F130 HydrophobicContact CG-CE2 4.05Å; R125-F130 HydrophobicContact CB-CE2 4.1Å; R125-F130 HydrophobicContact CG-CE2 4.23Å; S127-F130 VanDerWaalsContact O-CB 3.3Å; S127-F130 WeakPolarHBondContact O-CB 3.26Å; S127-F130 PolarHBondContact O-N 2.8Å; S127-F130 VanDerWaalsContact O-N 3.14Å; F130-H132 VanDerWaalsContact C-N 3.33Å; F130-L133 PolarHBondContact O-N 2.71Å; F130-S134 VanDerWaalsContact O-CB 3.31Å; F130-S134 WeakPolarHBondContact O-CB 3.36Å; F130-S134 PolarHBondContact O-N 3.19Å; F130-S134 PolarHBondContact O-OG 2.85Å
131	N	97.4	Very high	96.4	Very high	37 Å²	37	48.3 Å²	48.3	20%	0.198	24%	0.243	C	C	.	.	H	α-helix	trans	-67.2	-32.5	174.5	-73	-39.3	0	0	0	112.3	M129 S134 A135 R169 V170	M129-N131 VanDerWaalsContact C-N 3.25Å; M129-N131 PolarHBondContact O-N 3.11Å; M129-N131 VanDerWaalsContact O-N 3.1Å; N131-S134 PolarHBondContact O-N 3.43Å; N131-A135 PolarHBondContact O-N 3.33Å; N131-R169 HydrophobicContact CB-CB 4.5Å; N131-V170 HydrophobicContact CB-CG2 3.71Å
132	H	98.4	Very high	96.3	Very high	3 Å²	3	47.2 Å²	47.2	1%	0.014	24%	0.239	C	C	.	.	H	α-helix	trans	-66.5	-48.8	173	-59.8	75.8	0	0	0	110.2	V71 M129 F130 S134 A135 V136 V170 H181 W184	V71-H132 HydrophobicContact CG2-CB 3.89Å; M129-H132 HydrophobicContact CB-CB 4.38Å; M129-H132 WeakPolarHBondContact O-CA 3.34Å; M129-H132 VanDerWaalsContact O-CB 3.26Å; M129-H132 WeakPolarHBondContact O-CB 3.23Å; M129-H132 PolarHBondContact O-N 3.27Å; F130-H132 VanDerWaalsContact C-N 3.33Å; H132-S134 VanDerWaalsContact C-N 3.26Å; H132-S134 PolarHBondContact O-N 2.92Å; H132-A135 PolarHBondContact O-N 3.48Å; H132-V136 PolarHBondContact O-N 3.03Å; H132-V136 VanDerWaalsContact O-N 3.14Å; H132-V170 VanDerWaalsContact NE2-CG1 3.27Å; H132-V170 WeakPolarHBondContact NE2-CG1 3.46Å; H132-H181 AromaticContact CE1-CE1 3.79Å; H132-H181 AromaticContact CE1-ND1 3.22Å; H132-H181 PolarHBondContact CE1-ND1 2.99Å; H132-H181 AromaticContact NE2-CE1 3.74Å; H132-H181 AromaticContact NE2-CG 3.88Å; H132-H181 AromaticContact NE2-ND1 2.86Å; H132-H181 PolarHBondContact NE2-ND1 3.44Å; H132-W184 HydrophobicContact CB-CH2 3.74Å; H132-W184 HydrophobicContact CB-CZ2 4.08Å; H132-W184 HydrophobicContact CB-CZ3 4.13Å; H132-W184 AromaticContact CD2-CD2 3.79Å; H132-W184 AromaticContact CD2-CE3 3.42Å; H132-W184 VanDerWaalsContact CD2-CE3 3.42Å; H132-W184 AromaticContact CD2-CH2 3.9Å; H132-W184 AromaticContact CD2-CZ3 3.49Å; H132-W184 VanDerWaalsContact CD2-CZ3 3.49Å; H132-W184 WeakPolarHBondContact CD2-CZ3 3.22Å
133	L	98.3	Very high	96.5	Very high	1 Å²	1	42 Å²	42	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-61.2	-37.9	177.8	-53.2	-175.8	0	0	0	111.4	D70 H74 F120 R121 N124 M129 F130 V136 S137	D70-L133 HydrophobicContact CB-CD1 4.1Å; D70-L133 HydrophobicContact CB-CD2 4.01Å; H74-L133 HydrophobicContact CB-CD2 3.86Å; H74-L133 PolarHBondContact CE1-O 2.93Å; H74-L133 VanDerWaalsContact CE1-O 3.3Å; H74-L133 VanDerWaalsContact ND1-CD2 3.31Å; H74-L133 WeakPolarHBondContact ND1-CD2 3.4Å; F120-L133 HydrophobicContact CE1-CD1 4.39Å; F120-L133 HydrophobicContact CE1-CD2 4.04Å; R121-L133 HydrophobicContact CB-CB 4.03Å; R121-L133 HydrophobicContact CG-CB 3.66Å; N124-L133 HydrophobicContact CB-CD1 3.96Å; M129-L133 PolarHBondContact O-N 3.39Å; F130-L133 PolarHBondContact O-N 2.71Å; L133-V136 PolarHBondContact O-N 3.3Å; L133-S137 WeakPolarHBondContact O-CB 3.31Å; L133-S137 PolarHBondContact O-N 2.74Å; L133-S137 PolarHBondContact O-OG 2.98Å
134	S	97.8	Very high	96.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-69.6	-40.3	178.3	-56.7	0	0	0	0	112	R121 F130 N131 H132 V136 S137 E138	R121-S134 PolarHBondContact NE-OG 3.43Å; R121-S134 VanDerWaalsContact NE-OG 3.08Å; R121-S134 PolarHBondContact NH2-OG 3.47Å; F130-S134 VanDerWaalsContact O-CB 3.31Å; F130-S134 WeakPolarHBondContact O-CB 3.36Å; F130-S134 PolarHBondContact O-N 3.19Å; F130-S134 PolarHBondContact O-OG 2.85Å; N131-S134 PolarHBondContact O-N 3.43Å; H132-S134 VanDerWaalsContact C-N 3.26Å; H132-S134 PolarHBondContact O-N 2.92Å; S134-V136 PolarHBondContact O-N 3.47Å; S134-S137 PolarHBondContact O-N 3.39Å; S134-S137 PolarHBondContact O-OG 3.16Å; S134-E138 VanDerWaalsContact O-CB 3.3Å; S134-E138 WeakPolarHBondContact O-CB 3.45Å; S134-E138 WeakPolarHBondContact O-CG 3.28Å; S134-E138 PolarHBondContact O-N 3.02Å; S134-E138 VanDerWaalsContact O-N 3.09Å
135	A	98.1	Very high	96.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-56.5	-40.1	172.7	0	0	0	0	0	111	N131 H132 S139 T167 W184 Y188	N131-A135 PolarHBondContact O-N 3.33Å; H132-A135 PolarHBondContact O-N 3.48Å; A135-S139 WeakPolarHBondContact O-CB 3.25Å; A135-S139 PolarHBondContact O-OG 3.35Å; A135-T167 HydrophobicContact CB-CG2 3.66Å; A135-W184 HydrophobicContact CB-CH2 4.33Å; A135-Y188 HydrophobicContact CB-CE1 4.33Å
136	V	98.4	Very high	96.6	Very high	2 Å²	2	25 Å²	25	1%	0.012	15%	0.154	C	C	.	.	H	α-helix	trans	-71.7	-53.5	178.7	177.3	0	0	0	0	112.9	V78 I117 H132 L133 S134 E138 S139 I140 W184 Y188	V78-V136 HydrophobicContact CG2-CG1 3.46Å; V78-V136 VanDerWaalsContact CG2-CG1 3.46Å; I117-V136 HydrophobicContact CG2-CG1 3.7Å; H132-V136 PolarHBondContact O-N 3.03Å; H132-V136 VanDerWaalsContact O-N 3.14Å; L133-V136 PolarHBondContact O-N 3.3Å; S134-V136 PolarHBondContact O-N 3.47Å; V136-E138 VanDerWaalsContact C-N 3.3Å; V136-E138 PolarHBondContact O-N 2.89Å; V136-S139 PolarHBondContact O-N 2.86Å; V136-I140 WeakPolarHBondContact O-CB 3.39Å; V136-I140 PolarHBondContact O-N 2.93Å; V136-W184 HydrophobicContact CG2-CH2 4.24Å; V136-W184 HydrophobicContact CG2-CZ2 4.05Å; V136-Y188 VanDerWaalsContact CA-OH 3.28Å; V136-Y188 WeakPolarHBondContact CA-OH 3.44Å; V136-Y188 HydrophobicContact CG2-CE1 4.23Å; V136-Y188 HydrophobicContact CG2-CE2 3.95Å
137	S	97.5	Very high	96.6	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.014	14%	0.144	C	C	.	.	H	α-helix	trans	-65	-32.6	-174.3	61.6	0	0	0	0	113.8	Q118 R121 L133 S134	Q118-S137 WeakPolarHBondContact CG-O 3.42Å; Q118-S137 PolarHBondContact NE2-O 2.96Å; R121-S137 WeakPolarHBondContact CG-OG 3.34Å; L133-S137 WeakPolarHBondContact O-CB 3.31Å; L133-S137 PolarHBondContact O-N 2.74Å; L133-S137 PolarHBondContact O-OG 2.98Å; S134-S137 PolarHBondContact O-N 3.39Å; S134-S137 PolarHBondContact O-OG 3.16Å
138	E	95.9	Very high	96.6	Very high	78 Å²	78	25.6 Å²	25.6	36%	0.364	15%	0.148	S	C	.	.	H	α-helix	trans	-85.8	-15	-174.9	-54	-73.3	145.2	0	0	112	R121 S134 V136 Y166	R121-E138 IonicContact CZ-OE1 2.82Å; R121-E138 IonicContact NH1-OE1 3.63Å; R121-E138 PolarHBondContact NH1-OE1 3.22Å; S134-E138 VanDerWaalsContact O-CB 3.3Å; S134-E138 WeakPolarHBondContact O-CB 3.45Å; S134-E138 WeakPolarHBondContact O-CG 3.28Å; S134-E138 PolarHBondContact O-N 3.02Å; S134-E138 VanDerWaalsContact O-N 3.09Å; V136-E138 VanDerWaalsContact C-N 3.3Å; V136-E138 PolarHBondContact O-N 2.89Å; E138-Y166 HydrophobicContact CB-CD2 4.38Å; E138-Y166 HydrophobicContact CB-CE2 3.95Å; E138-Y166 HydrophobicContact CG-CD2 4.22Å; E138-Y166 HydrophobicContact CG-CE2 3.54Å
139	S	98.1	Very high	96.5	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-113.5	-17.7	179.3	67.3	0	0	0	0	114.9	A135 V136 P141 A142 M159 Y188 W192	A135-S139 WeakPolarHBondContact O-CB 3.25Å; A135-S139 PolarHBondContact O-OG 3.35Å; V136-S139 PolarHBondContact O-N 2.86Å; S139-P141 WeakPolarHBondContact O-CD 3.14Å; S139-P141 VanDerWaalsContact O-N 3.13Å; S139-A142 WeakPolarHBondContact O-CB 3.34Å; S139-A142 PolarHBondContact O-N 3.39Å; S139-M159 WeakPolarHBondContact CB-O 3.28Å; S139-Y188 PolarHBondContact OG-OH 2.96Å; S139-W192 PolarHBondContact OG-NE1 3.38Å
140	I	98.2	Very high	96.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-55.2	-26.6	175.4	-164.5	65	0	0	0	115.2	V78 I114 I117 Q118 V136 A142 L143 W192	V78-I140 HydrophobicContact CG1-CD1 4.22Å; V78-I140 HydrophobicContact CG2-CD1 4.18Å; I114-I140 HydrophobicContact CG1-CG1 4.42Å; I114-I140 HydrophobicContact CG2-CG2 4.23Å; I117-I140 HydrophobicContact CB-CG1 4.42Å; I117-I140 HydrophobicContact CB-CG2 4.27Å; I117-I140 HydrophobicContact CD1-CD1 3.9Å; I117-I140 HydrophobicContact CD1-CG1 3.63Å; I117-I140 HydrophobicContact CG2-CB 4.09Å; I117-I140 HydrophobicContact CG2-CG1 4.08Å; I117-I140 HydrophobicContact CG2-CG2 3.77Å; Q118-I140 HydrophobicContact CG-CG2 4.13Å; V136-I140 WeakPolarHBondContact O-CB 3.39Å; V136-I140 PolarHBondContact O-N 2.93Å; I140-A142 PolarHBondContact O-N 3.21Å; I140-L143 HydrophobicContact CD1-CD1 3.61Å; I140-L143 HydrophobicContact CD1-CG 4.14Å; I140-L143 HydrophobicContact CG1-CD1 4.31Å; I140-L143 PolarHBondContact O-N 3.24Å; I140-W192 HydrophobicContact CD1-CH2 4.11Å
141	P	97.5	Very high	96.3	Very high	26 Å²	26	29 Å²	29	17%	0.169	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-57.1	-14	171	-26	37.6	0	0	0	114.2	I114 S139 L143 G144 Y155 M159	I114-P141 HydrophobicContact CG2-CG 4.37Å; S139-P141 WeakPolarHBondContact O-CD 3.14Å; S139-P141 VanDerWaalsContact O-N 3.13Å; P141-L143 PolarHBondContact O-N 3.43Å; P141-L143 VanDerWaalsContact O-N 3.15Å; P141-G144 WeakPolarHBondContact O-CA 3.38Å; P141-G144 PolarHBondContact O-N 2.83Å; P141-Y155 WeakPolarHBondContact O-CE1 3.4Å; P141-Y155 PolarHBondContact O-OH 3.28Å; P141-M159 HydrophobicContact CB-SD 3.98Å
142	A	97.1	Very high	96.2	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-48.8	-35.3	168.6	0	0	0	0	0	113.1	S139 I140 G144 W145 V156 M159 W192	S139-A142 WeakPolarHBondContact O-CB 3.34Å; S139-A142 PolarHBondContact O-N 3.39Å; I140-A142 PolarHBondContact O-N 3.21Å; A142-G144 PolarHBondContact O-N 3.31Å; A142-G144 VanDerWaalsContact O-N 3.14Å; A142-W145 WeakPolarHBondContact O-CB 3.38Å; A142-W145 VanDerWaalsContact O-CD1 3.22Å; A142-W145 PolarHBondContact O-N 3.45Å; A142-V156 HydrophobicContact CB-CG1 4.3Å; A142-V156 HydrophobicContact CB-CG2 4.44Å; A142-M159 HydrophobicContact CB-CB 3.69Å; A142-M159 HydrophobicContact CB-CG 3.95Å; A142-W192 HydrophobicContact CB-CD2 4.41Å; A142-W192 HydrophobicContact CB-CE3 3.74Å; A142-W192 HydrophobicContact CB-CH2 3.86Å; A142-W192 HydrophobicContact CB-CZ2 4.48Å; A142-W192 HydrophobicContact CB-CZ3 3.46Å; A142-W192 VanDerWaalsContact CB-CZ3 3.46Å
143	L	97.2	Very high	96.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-61.7	-21.3	176.7	-66.9	-178.5	0	0	0	113	A81 F82 Q85 I110 I114 I140 P141 W145 W192	A81-L143 HydrophobicContact CB-CD1 3.53Å; F82-L143 HydrophobicContact CD1-CD2 4.36Å; F82-L143 HydrophobicContact CD2-CD1 4.23Å; F82-L143 HydrophobicContact CD2-CD2 4.23Å; F82-L143 HydrophobicContact CE1-CD2 4Å; F82-L143 HydrophobicContact CE2-CD1 4.29Å; F82-L143 HydrophobicContact CE2-CD2 3.88Å; F82-L143 HydrophobicContact CE2-CG 4.46Å; F82-L143 HydrophobicContact CG-CD2 4.46Å; F82-L143 HydrophobicContact CZ-CD2 3.74Å; Q85-L143 HydrophobicContact CG-CD2 4.41Å; Q85-L143 PolarHBondContact NE2-O 2.87Å; Q85-L143 PolarHBondContact OE1-O 3.19Å; I110-L143 HydrophobicContact CG2-CB 4.41Å; I114-L143 HydrophobicContact CD1-CB 4.17Å; I114-L143 HydrophobicContact CG1-CB 4.49Å; I140-L143 HydrophobicContact CD1-CD1 3.61Å; I140-L143 HydrophobicContact CD1-CG 4.14Å; I140-L143 HydrophobicContact CG1-CD1 4.31Å; I140-L143 PolarHBondContact O-N 3.24Å; P141-L143 PolarHBondContact O-N 3.43Å; P141-L143 VanDerWaalsContact O-N 3.15Å; L143-W145 PolarHBondContact O-N 3.24Å; L143-W145 VanDerWaalsContact O-N 3.13Å; L143-W192 HydrophobicContact CD2-CZ3 4.38Å
144	G	95.4	Very high	96	Very high	20 Å²	20	31 Å²	31	21%	0.206	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-67.3	-2.5	172.1	0	0	0	0	0	115.1	P141 A142 I146 A147	P141-G144 WeakPolarHBondContact O-CA 3.38Å; P141-G144 PolarHBondContact O-N 2.83Å; A142-G144 PolarHBondContact O-N 3.31Å; A142-G144 VanDerWaalsContact O-N 3.14Å; G144-I146 PolarHBondContact O-N 3.11Å; G144-A147 PolarHBondContact O-N 2.89Å
145	W	97.1	Very high	95.9	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-54.6	-26	179.8	74.8	-95.4	0	0	0	113.8	L89 A142 L143 A147 V148 P152 Y155 V156 Y198 I199 H203 L207	L89-W145 HydrophobicContact CD2-CH2 4.07Å; L89-W145 HydrophobicContact CD2-CZ2 4.01Å; A142-W145 WeakPolarHBondContact O-CB 3.38Å; A142-W145 VanDerWaalsContact O-CD1 3.22Å; A142-W145 PolarHBondContact O-N 3.45Å; L143-W145 PolarHBondContact O-N 3.24Å; L143-W145 VanDerWaalsContact O-N 3.13Å; W145-A147 PolarHBondContact O-N 3.43Å; W145-A147 VanDerWaalsContact O-N 3.16Å; W145-V148 WeakPolarHBondContact O-CB 3.29Å; W145-V148 PolarHBondContact O-N 2.99Å; W145-P152 HydrophobicContact CB-CB 4.22Å; W145-P152 HydrophobicContact CE3-CB 3.77Å; W145-Y155 HydrophobicContact CB-CD1 3.98Å; W145-Y155 HydrophobicContact CB-CE1 4.33Å; W145-V156 HydrophobicContact CB-CG2 3.69Å; W145-V156 HydrophobicContact CG-CG2 4.12Å; W145-Y198 HydrophobicContact CH2-CE1 4.28Å; W145-Y198 AromaticContact CZ2-CE1 3.96Å; W145-Y198 HydrophobicContact CZ2-CE1 3.96Å; W145-I199 HydrophobicContact CB-CD1 4.11Å; W145-I199 HydrophobicContact CD2-CD1 3.46Å; W145-I199 VanDerWaalsContact CD2-CD1 3.46Å; W145-I199 HydrophobicContact CD2-CG1 3.79Å; W145-I199 HydrophobicContact CE3-CD1 3.88Å; W145-I199 HydrophobicContact CE3-CG1 3.87Å; W145-I199 HydrophobicContact CE3-CG2 4.45Å; W145-I199 HydrophobicContact CG-CD1 3.57Å; W145-I199 HydrophobicContact CG-CG1 4.42Å; W145-I199 HydrophobicContact CH2-CG1 4.16Å; W145-I199 HydrophobicContact CZ2-CG1 4.05Å; W145-I199 HydrophobicContact CZ3-CG1 4.06Å; W145-H203 HydrophobicContact CH2-CB 3.85Å; W145-H203 AromaticContact CH2-CD2 3.4Å; W145-H203 VanDerWaalsContact CH2-CD2 3.4Å; W145-H203 WeakPolarHBondContact CH2-CD2 3.48Å; W145-H203 AromaticContact CH2-CG 3.62Å; W145-H203 HydrophobicContact CZ3-CB 3.6Å; W145-H203 AromaticContact CZ3-CG 3.85Å; W145-L207 HydrophobicContact CH2-CD1 4.1Å; W145-L207 HydrophobicContact CZ3-CB 4.42Å; W145-L207 HydrophobicContact CZ3-CD1 4.46Å
146	I	94.9	Very high	95.9	Very high	14 Å²	14	33.7 Å²	33.7	7%	0.072	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-61.7	-18.6	176.7	50.9	171	0	0	0	113.8	F88 L89 L107 I110 G144 L207	F88-I146 HydrophobicContact CD1-CD1 3.73Å; F88-I146 HydrophobicContact CD2-CD1 4.43Å; F88-I146 HydrophobicContact CE1-CB 4.41Å; F88-I146 HydrophobicContact CE1-CD1 3.87Å; F88-I146 HydrophobicContact CG-CD1 4.04Å; F88-I146 HydrophobicContact CZ-CD1 4.27Å; L89-I146 HydrophobicContact CD2-CG2 4.35Å; L107-I146 HydrophobicContact CD2-CD1 3.35Å; L107-I146 HydrophobicContact CD2-CG1 3.8Å; I110-I146 HydrophobicContact CD1-CD1 3.39Å; G144-I146 PolarHBondContact O-N 3.11Å; I146-L207 HydrophobicContact CB-CD2 4.2Å; I146-L207 HydrophobicContact CG2-CD1 4.28Å; I146-L207 HydrophobicContact CG2-CD2 4.3Å
147	A	92.9	Very high	95.7	Very high	69 Å²	69	38.3 Å²	38.3	57%	0.57	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-98.4	0.7	173.5	0	0	0	0	0	112.9	L107 G144 W145	L107-A147 HydrophobicContact CD1-CB 3.78Å; G144-A147 PolarHBondContact O-N 2.89Å; W145-A147 PolarHBondContact O-N 3.43Å; W145-A147 VanDerWaalsContact O-N 3.16Å
148	V	93.6	Very high	95.7	Very high	38 Å²	38	43.9 Å²	43.9	23%	0.23	25%	0.249	C	C	.	.			trans	-101.6	123.5	-174.5	-179.1	0	0	0	0	110.6	W145 P152 Y155	W145-V148 WeakPolarHBondContact O-CB 3.29Å; W145-V148 PolarHBondContact O-N 2.99Å; V148-P152 HydrophobicContact CB-CB 4.4Å; V148-Y155 HydrophobicContact CG1-CG 4.39Å; V148-Y155 HydrophobicContact CG2-CD1 3.89Å; V148-Y155 HydrophobicContact CG2-CD2 4.23Å; V148-Y155 HydrophobicContact CG2-CE1 4.15Å; V148-Y155 HydrophobicContact CG2-CE2 4.47Å; V148-Y155 HydrophobicContact CG2-CG 3.92Å
149	S	90.7	Very high	95.7	Very high	91 Å²	91	41.9 Å²	41.9	64%	0.636	24%	0.24	S	C	*	.			trans	-141.8	144.2	171.4	-175.7	0	0	0	0	109	T205	S149-T205 PolarHBondContact OG-O 2.95Å
150	P	93.3	Very high	95.6	Very high	84 Å²	84	42.7 Å²	42.7	55%	0.545	24%	0.244	S	C	.	.	S	Bend	cis	-93.3	9.1	2.9	35.1	-32.7	0	0	0	114.6	P152 T205	P150-P152 VanDerWaalsContact C-CD 3.41Å; P150-P152 WeakPolarHBondContact O-CD 3.29Å; P150-T205 WeakPolarHBondContact CA-O 3.45Å; P150-T205 WeakPolarHBondContact O-CA 3.49Å
151	K	94.4	Very high	95.4	Very high	143 Å²	143	46.4 Å²	46.4	62%	0.622	26%	0.264	S	S	*	.			trans	-125.7	60.2	-169.6	-64.5	-176.6	-178.6	-179	0	113.9	G153 P154 Y155	K151-G153 PolarHBondContact O-N 2.99Å; K151-P154 HydrophobicContact CB-CB 4.4Å; K151-P154 HydrophobicContact CB-CG 4.04Å; K151-P154 WeakPolarHBondContact O-CD 3.37Å; K151-Y155 PolarHBondContact O-N 2.66Å
152	P	95.7	Very high	95.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-65.4	-34.7	178.9	27	-35.5	0	0	0	113.7	W145 V148 P150 Y155 V156 I199 H203	W145-P152 HydrophobicContact CB-CB 4.22Å; W145-P152 HydrophobicContact CE3-CB 3.77Å; V148-P152 HydrophobicContact CB-CB 4.4Å; P150-P152 VanDerWaalsContact C-CD 3.41Å; P150-P152 WeakPolarHBondContact O-CD 3.29Å; P152-Y155 WeakPolarHBondContact O-CB 3.28Å; P152-Y155 PolarHBondContact O-N 3.27Å; P152-V156 PolarHBondContact O-N 3.24Å; P152-V156 VanDerWaalsContact O-N 3.1Å; P152-I199 HydrophobicContact CB-CG2 3.85Å; P152-I199 HydrophobicContact CG-CG2 3.59Å; P152-H203 WeakPolarHBondContact CG-O 3.32Å
153	G	95.4	Very high	95.1	Very high	16 Å²	16	46.7 Å²	46.7	17%	0.165	27%	0.269	C	S	.	.	H	α-helix	trans	-61.7	-55	178	0	0	0	0	0	113.2	K151 Y155 V156 K157	K151-G153 PolarHBondContact O-N 2.99Å; G153-Y155 VanDerWaalsContact C-N 3.26Å; G153-Y155 PolarHBondContact O-N 3.47Å; G153-V156 PolarHBondContact O-N 2.69Å; G153-V156 VanDerWaalsContact O-N 3.15Å; G153-K157 PolarHBondContact O-N 3.41Å
154	P	96.1	Very high	95.1	Very high	68 Å²	68	48.5 Å²	48.5	44%	0.442	28%	0.28	S	S	.	.	H	α-helix	trans	-54.9	-37.7	173.6	-30.3	37.5	0	0	0	114.1	K151 K157 E158	K151-P154 HydrophobicContact CB-CB 4.4Å; K151-P154 HydrophobicContact CB-CG 4.04Å; K151-P154 WeakPolarHBondContact O-CD 3.37Å; P154-K157 WeakPolarHBondContact O-CB 3.41Å; P154-K157 PolarHBondContact O-N 3.07Å; P154-E158 PolarHBondContact O-N 3.4Å
155	Y	96.4	Very high	95.1	Very high	57 Å²	57	52.6 Å²	52.6	22%	0.224	29%	0.292	C	S	.	.	H	α-helix	trans	-60.6	-47	174.9	170.7	-99.5	0	0	0	112.5	P141 W145 V148 K151 P152 G153 K157 E158 M159	P141-Y155 WeakPolarHBondContact O-CE1 3.4Å; P141-Y155 PolarHBondContact O-OH 3.28Å; W145-Y155 HydrophobicContact CB-CD1 3.98Å; W145-Y155 HydrophobicContact CB-CE1 4.33Å; V148-Y155 HydrophobicContact CG1-CG 4.39Å; V148-Y155 HydrophobicContact CG2-CD1 3.89Å; V148-Y155 HydrophobicContact CG2-CD2 4.23Å; V148-Y155 HydrophobicContact CG2-CE1 4.15Å; V148-Y155 HydrophobicContact CG2-CE2 4.47Å; V148-Y155 HydrophobicContact CG2-CG 3.92Å; K151-Y155 PolarHBondContact O-N 2.66Å; P152-Y155 WeakPolarHBondContact O-CB 3.28Å; P152-Y155 PolarHBondContact O-N 3.27Å; G153-Y155 VanDerWaalsContact C-N 3.26Å; G153-Y155 PolarHBondContact O-N 3.47Å; Y155-K157 VanDerWaalsContact C-N 3.26Å; Y155-K157 PolarHBondContact O-N 3.46Å; Y155-E158 PolarHBondContact O-N 3.34Å; Y155-M159 HydrophobicContact CE1-CG 4.37Å; Y155-M159 HydrophobicContact CE2-CE 4.07Å; Y155-M159 WeakPolarHBondContact O-CG 3.47Å; Y155-M159 PolarHBondContact O-N 2.81Å
156	V	97.8	Very high	95.1	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-63.8	-34.1	175.8	176.2	0	0	0	0	111.5	A142 W145 P152 G153 M159 N160 W192 L195 Q196 I199	A142-V156 HydrophobicContact CB-CG1 4.3Å; A142-V156 HydrophobicContact CB-CG2 4.44Å; W145-V156 HydrophobicContact CB-CG2 3.69Å; W145-V156 HydrophobicContact CG-CG2 4.12Å; P152-V156 PolarHBondContact O-N 3.24Å; P152-V156 VanDerWaalsContact O-N 3.1Å; G153-V156 PolarHBondContact O-N 2.69Å; G153-V156 VanDerWaalsContact O-N 3.15Å; V156-M159 PolarHBondContact O-N 2.89Å; V156-N160 PolarHBondContact O-N 3.33Å; V156-W192 HydrophobicContact CG1-CE3 4.49Å; V156-L195 HydrophobicContact CG1-CB 4.47Å; V156-L195 HydrophobicContact CG1-CD2 4.08Å; V156-L195 HydrophobicContact CG1-CG 4.37Å; V156-L195 HydrophobicContact CG2-CD2 4.31Å; V156-Q196 HydrophobicContact CB-CG 3.91Å; V156-Q196 HydrophobicContact CG1-CG 3.73Å; V156-I199 HydrophobicContact CB-CD1 4.42Å; V156-I199 HydrophobicContact CG2-CD1 3.57Å
157	K	95.8	Very high	95.3	Very high	99 Å²	99	53.9 Å²	53.9	43%	0.43	30%	0.297	S	S	.	.	H	α-helix	trans	-60.1	-47.6	174.5	-171.5	-169.9	166.9	-68.3	0	111.7	G153 P154 Y155 M159 N160 D161	G153-K157 PolarHBondContact O-N 3.41Å; P154-K157 WeakPolarHBondContact O-CB 3.41Å; P154-K157 PolarHBondContact O-N 3.07Å; Y155-K157 VanDerWaalsContact C-N 3.26Å; Y155-K157 PolarHBondContact O-N 3.46Å; K157-M159 VanDerWaalsContact C-N 3.27Å; K157-M159 PolarHBondContact O-N 3.36Å; K157-N160 WeakPolarHBondContact O-CB 3.39Å; K157-N160 PolarHBondContact O-N 2.9Å; K157-N160 VanDerWaalsContact O-N 3.07Å; K157-D161 IonicContact NZ-OD1 3.76Å; K157-D161 IonicContact NZ-OD2 3.65Å; K157-D161 PolarHBondContact NZ-OD2 3.06Å; K157-D161 VanDerWaalsContact O-CG 3.31Å; K157-D161 PolarHBondContact O-N 3.22Å
158	E	95.5	Very high	95.5	Very high	119 Å²	119	54.9 Å²	54.9	56%	0.556	29%	0.292	S	S	*	.	H	α-helix	trans	-59.4	-40	178.5	-71.2	171.4	-170.4	0	0	111.6	P154 Y155 D161 A162	P154-E158 PolarHBondContact O-N 3.4Å; Y155-E158 PolarHBondContact O-N 3.34Å; E158-D161 PolarHBondContact O-N 3.3Å; E158-A162 PolarHBondContact O-N 3.21Å
159	M	96.4	Very high	95.7	Very high	36 Å²	36	58.3 Å²	58.3	18%	0.177	30%	0.301	C	S	.	.	H	α-helix	trans	-66.2	-37	174.8	-61.5	-60.9	114.4	0	0	112.3	S139 P141 A142 Y155 V156 K157 D161 A162 A163	S139-M159 WeakPolarHBondContact CB-O 3.28Å; P141-M159 HydrophobicContact CB-SD 3.98Å; A142-M159 HydrophobicContact CB-CB 3.69Å; A142-M159 HydrophobicContact CB-CG 3.95Å; Y155-M159 HydrophobicContact CE1-CG 4.37Å; Y155-M159 HydrophobicContact CE2-CE 4.07Å; Y155-M159 WeakPolarHBondContact O-CG 3.47Å; Y155-M159 PolarHBondContact O-N 2.81Å; V156-M159 PolarHBondContact O-N 2.89Å; K157-M159 VanDerWaalsContact C-N 3.27Å; K157-M159 PolarHBondContact O-N 3.36Å; M159-D161 VanDerWaalsContact C-N 3.34Å; M159-A162 WeakPolarHBondContact O-CB 3.07Å; M159-A162 PolarHBondContact O-N 3.5Å; M159-A163 PolarHBondContact O-N 3.46Å
160	N	96.1	Very high	96	Very high	16 Å²	16	54 Å²	54	9%	0.086	27%	0.271	C	S	.	.	H	α-helix	trans	-67.1	-35.5	173.8	-167.5	31.1	0	0	0	112.3	V156 K157 A162 A163 T164 L189 W192	V156-N160 PolarHBondContact O-N 3.33Å; K157-N160 WeakPolarHBondContact O-CB 3.39Å; K157-N160 PolarHBondContact O-N 2.9Å; K157-N160 VanDerWaalsContact O-N 3.07Å; N160-A162 VanDerWaalsContact C-N 3.29Å; N160-A162 PolarHBondContact O-N 3.08Å; N160-A163 WeakPolarHBondContact O-CB 3.46Å; N160-A163 PolarHBondContact O-N 3.19Å; N160-T164 WeakPolarHBondContact O-CB 3.31Å; N160-T164 PolarHBondContact O-N 3.34Å; N160-T164 PolarHBondContact O-OG1 2.93Å; N160-L189 WeakPolarHBondContact OD1-CD2 3.43Å; N160-W192 HydrophobicContact CB-CB 3.78Å; N160-W192 HydrophobicContact CB-CG 4.27Å; N160-W192 VanDerWaalsContact OD1-CD1 3.28Å
161	D	93.6	Very high	96.2	Very high	78 Å²	78	52.2 Å²	52.2	42%	0.417	26%	0.257	S	S	.	.	H	α-helix	trans	-64.1	-38	174.5	-65.5	-25.1	0	0	0	110.1	K157 E158 M159 T164 F165	K157-D161 IonicContact NZ-OD1 3.76Å; K157-D161 IonicContact NZ-OD2 3.65Å; K157-D161 PolarHBondContact NZ-OD2 3.06Å; K157-D161 VanDerWaalsContact O-CG 3.31Å; K157-D161 PolarHBondContact O-N 3.22Å; E158-D161 PolarHBondContact O-N 3.3Å; M159-D161 VanDerWaalsContact C-N 3.34Å; D161-T164 WeakPolarHBondContact O-CB 3.48Å; D161-T164 PolarHBondContact O-N 3.37Å; D161-F165 PolarHBondContact O-N 3.34Å; D161-F165 VanDerWaalsContact O-N 3.15Å
162	A	93.1	Very high	96.3	Very high	32 Å²	32	53.2 Å²	53.2	26%	0.264	26%	0.261	S	S	.	.	H	α-helix	trans	-64	-42.2	171.4	0	0	0	0	0	112.8	E158 M159 N160 T164 F165 Y166	E158-A162 PolarHBondContact O-N 3.21Å; M159-A162 WeakPolarHBondContact O-CB 3.07Å; M159-A162 PolarHBondContact O-N 3.5Å; N160-A162 VanDerWaalsContact C-N 3.29Å; N160-A162 PolarHBondContact O-N 3.08Å; A162-T164 VanDerWaalsContact C-N 3.3Å; A162-T164 PolarHBondContact O-N 3.09Å; A162-F165 PolarHBondContact O-N 3.32Å; A162-Y166 WeakPolarHBondContact O-CD2 3.16Å
163	A	96.9	Very high	96.2	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-57.4	-46.6	171.8	0	0	0	0	0	110.9	M159 N160 F165 Y166 T167 Y188 L189	M159-A163 PolarHBondContact O-N 3.46Å; N160-A163 WeakPolarHBondContact O-CB 3.46Å; N160-A163 PolarHBondContact O-N 3.19Å; A163-F165 VanDerWaalsContact C-N 3.26Å; A163-F165 PolarHBondContact O-N 3.15Å; A163-Y166 PolarHBondContact O-N 3.1Å; A163-Y166 VanDerWaalsContact O-N 3.08Å; A163-T167 WeakPolarHBondContact O-CG2 3.03Å; A163-T167 PolarHBondContact O-N 3.23Å; A163-T167 PolarHBondContact O-OG1 3.44Å; A163-Y188 HydrophobicContact CB-CE1 4.05Å; A163-L189 HydrophobicContact CB-CD2 3.75Å
164	T	96.3	Very high	96.2	Very high	39 Å²	39	59.1 Å²	59.1	24%	0.239	29%	0.285	C	S	.	.	H	α-helix	trans	-58.6	-37.5	-176.2	-61.3	0	0	0	0	112.2	N160 D161 A162 Y166 T167 N168	N160-T164 WeakPolarHBondContact O-CB 3.31Å; N160-T164 PolarHBondContact O-N 3.34Å; N160-T164 PolarHBondContact O-OG1 2.93Å; D161-T164 WeakPolarHBondContact O-CB 3.48Å; D161-T164 PolarHBondContact O-N 3.37Å; A162-T164 VanDerWaalsContact C-N 3.3Å; A162-T164 PolarHBondContact O-N 3.09Å; T164-Y166 VanDerWaalsContact C-N 3.32Å; T164-Y166 PolarHBondContact O-N 3.36Å; T164-T167 VanDerWaalsContact CA-OG1 3.28Å; T164-T167 WeakPolarHBondContact CA-OG1 3.45Å; T164-T167 PolarHBondContact O-N 3.18Å; T164-T167 PolarHBondContact O-OG1 3.39Å; T164-N168 VanDerWaalsContact O-CB 3.27Å; T164-N168 WeakPolarHBondContact O-CB 3.45Å; T164-N168 PolarHBondContact O-N 3.49Å; T164-N168 PolarHBondContact O-ND2 3.46Å
165	F	95.4	Very high	96.1	Very high	106 Å²	106	60.9 Å²	60.9	47%	0.465	29%	0.286	S	S	.	.	H	α-helix	trans	-55.7	-44.9	175.5	177.5	-98.4	0	0	0	112.9	D161 A162 A163	D161-F165 PolarHBondContact O-N 3.34Å; D161-F165 VanDerWaalsContact O-N 3.15Å; A162-F165 PolarHBondContact O-N 3.32Å; A163-F165 VanDerWaalsContact C-N 3.26Å; A163-F165 PolarHBondContact O-N 3.15Å
166	Y	97.5	Very high	96	Very high	41 Å²	41	66 Å²	66	16%	0.161	31%	0.312	C	S	.	.	H	α-helix	trans	-82.9	-36.9	-179.4	-68.2	-78.7	0	0	0	112.6	E138 A162 A163 T164 N168 R169 V170	E138-Y166 HydrophobicContact CB-CD2 4.38Å; E138-Y166 HydrophobicContact CB-CE2 3.95Å; E138-Y166 HydrophobicContact CG-CD2 4.22Å; E138-Y166 HydrophobicContact CG-CE2 3.54Å; A162-Y166 WeakPolarHBondContact O-CD2 3.16Å; A163-Y166 PolarHBondContact O-N 3.1Å; A163-Y166 VanDerWaalsContact O-N 3.08Å; T164-Y166 VanDerWaalsContact C-N 3.32Å; T164-Y166 PolarHBondContact O-N 3.36Å; Y166-N168 VanDerWaalsContact C-N 3.27Å; Y166-N168 PolarHBondContact O-N 3.09Å; Y166-R169 WeakPolarHBondContact O-CB 3.31Å; Y166-R169 PolarHBondContact O-N 2.8Å; Y166-V170 PolarHBondContact O-N 3.46Å; Y166-V170 VanDerWaalsContact O-N 3.16Å
167	T	98.1	Very high	95.8	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-66.7	-29.9	176	60.6	0	0	0	0	112.2	A135 A163 T164 R169 V170 L171 W184 V185 Y188 L189	A135-T167 HydrophobicContact CB-CG2 3.66Å; A163-T167 WeakPolarHBondContact O-CG2 3.03Å; A163-T167 PolarHBondContact O-N 3.23Å; A163-T167 PolarHBondContact O-OG1 3.44Å; T164-T167 VanDerWaalsContact CA-OG1 3.28Å; T164-T167 WeakPolarHBondContact CA-OG1 3.45Å; T164-T167 PolarHBondContact O-N 3.18Å; T164-T167 PolarHBondContact O-OG1 3.39Å; T167-R169 PolarHBondContact O-N 3.34Å; T167-V170 CarbonylContact O-C 3.58Å; T167-V170 WeakPolarHBondContact O-CB 3.45Å; T167-V170 PolarHBondContact O-N 2.83Å; T167-V170 VanDerWaalsContact O-N 3.13Å; T167-L171 WeakPolarHBondContact O-CG 3.44Å; T167-L171 PolarHBondContact O-N 3.14Å; T167-W184 HydrophobicContact CG2-CZ3 4.29Å; T167-V185 HydrophobicContact CG2-CG1 4.14Å; T167-V185 HydrophobicContact CG2-CG2 4.12Å; T167-Y188 HydrophobicContact CG2-CD1 4.42Å; T167-L189 HydrophobicContact CG2-CD2 4.18Å; T167-L189 HydrophobicContact CG2-CG 4.43Å
168	N	97.6	Very high	95.8	Very high	90 Å²	90	67.1 Å²	67.1	48%	0.481	33%	0.329	S	S	.	.	H	α-helix	trans	-60.2	-33.2	170.2	-79.5	-22	0	0	0	112.6	T164 Y166 K172	T164-N168 VanDerWaalsContact O-CB 3.27Å; T164-N168 WeakPolarHBondContact O-CB 3.45Å; T164-N168 PolarHBondContact O-N 3.49Å; T164-N168 PolarHBondContact O-ND2 3.46Å; Y166-N168 VanDerWaalsContact C-N 3.27Å; Y166-N168 PolarHBondContact O-N 3.09Å; N168-K172 WeakPolarHBondContact O-CB 3.27Å; N168-K172 PolarHBondContact O-N 3.18Å
169	R	97.1	Very high	95.8	Very high	109 Å²	109	66.9 Å²	66.9	41%	0.411	33%	0.331	S	S	.	.	H	α-helix	trans	-70.7	-42.8	173.6	-60.1	175.8	175.7	-163.6	-6.2	111	N131 Y166 T167 L171 K172 D173	N131-R169 HydrophobicContact CB-CB 4.5Å; Y166-R169 WeakPolarHBondContact O-CB 3.31Å; Y166-R169 PolarHBondContact O-N 2.8Å; T167-R169 PolarHBondContact O-N 3.34Å; R169-L171 VanDerWaalsContact C-N 3.33Å; R169-L171 PolarHBondContact O-N 2.91Å; R169-K172 WeakPolarHBondContact O-CB 3.32Å; R169-K172 PolarHBondContact O-N 3.47Å; R169-K172 VanDerWaalsContact O-N 3.17Å; R169-D173 VanDerWaalsContact O-CG 3.26Å; R169-D173 PolarHBondContact O-N 3.15Å
170	V	97.5	Very high	95.9	Very high	1 Å²	1	71.1 Å²	71.1	1%	0.006	35%	0.345	C	S	.	.	H	α-helix	trans	-56.8	-48.2	171.6	176.9	0	0	0	0	110.6	N131 H132 Y166 T167 K172 D173 Y174 H181 V185	N131-V170 HydrophobicContact CB-CG2 3.71Å; H132-V170 VanDerWaalsContact NE2-CG1 3.27Å; H132-V170 WeakPolarHBondContact NE2-CG1 3.46Å; Y166-V170 PolarHBondContact O-N 3.46Å; Y166-V170 VanDerWaalsContact O-N 3.16Å; T167-V170 CarbonylContact O-C 3.58Å; T167-V170 WeakPolarHBondContact O-CB 3.45Å; T167-V170 PolarHBondContact O-N 2.83Å; T167-V170 VanDerWaalsContact O-N 3.13Å; V170-K172 VanDerWaalsContact C-N 3.32Å; V170-K172 PolarHBondContact O-N 2.93Å; V170-D173 PolarHBondContact O-N 3.06Å; V170-Y174 HydrophobicContact CG1-CD2 3.97Å; V170-Y174 WeakPolarHBondContact O-CB 3.45Å; V170-Y174 VanDerWaalsContact O-CD2 3.27Å; V170-Y174 WeakPolarHBondContact O-CD2 3.5Å; V170-Y174 PolarHBondContact O-N 2.86Å; V170-H181 HydrophobicContact CG1-CB 4.01Å; V170-V185 HydrophobicContact CB-CG2 3.94Å; V170-V185 HydrophobicContact CG1-CG2 3.7Å
171	L	97.3	Very high	96	Very high	47 Å²	47	70.7 Å²	70.7	25%	0.246	34%	0.343	C	S	.	.	H	α-helix	trans	-61.5	-41.3	177	-68.8	177.1	0	0	0	111.5	T167 R169 D173 Y174 K175 V182 V185	T167-L171 WeakPolarHBondContact O-CG 3.44Å; T167-L171 PolarHBondContact O-N 3.14Å; R169-L171 VanDerWaalsContact C-N 3.33Å; R169-L171 PolarHBondContact O-N 2.91Å; L171-D173 VanDerWaalsContact C-N 3.28Å; L171-D173 PolarHBondContact O-N 2.96Å; L171-Y174 PolarHBondContact O-N 3.13Å; L171-K175 WeakPolarHBondContact O-CB 3.06Å; L171-K175 WeakPolarHBondContact O-CD 3.42Å; L171-K175 WeakPolarHBondContact O-CG 3.41Å; L171-K175 PolarHBondContact O-N 3.35Å; L171-V182 HydrophobicContact CD2-CB 4.16Å; L171-V182 HydrophobicContact CD2-CG1 3.93Å; L171-V182 HydrophobicContact CD2-CG2 3.97Å; L171-V185 HydrophobicContact CD1-CG1 3.97Å; L171-V185 HydrophobicContact CD2-CB 4.08Å; L171-V185 HydrophobicContact CD2-CG1 4.05Å; L171-V185 HydrophobicContact CD2-CG2 4.21Å; L171-V185 HydrophobicContact CG-CB 4.38Å; L171-V185 HydrophobicContact CG-CG1 3.97Å; L171-V185 HydrophobicContact CG-CG2 4.27Å
172	K	96.8	Very high	96.2	Very high	163 Å²	163	67.9 Å²	67.9	71%	0.709	33%	0.328	S	S	*	.	H	α-helix	trans	-57.2	-43.7	176.4	-175.7	-175.7	176.1	-175	0	111.8	N168 R169 V170	N168-K172 WeakPolarHBondContact O-CB 3.27Å; N168-K172 PolarHBondContact O-N 3.18Å; R169-K172 WeakPolarHBondContact O-CB 3.32Å; R169-K172 PolarHBondContact O-N 3.47Å; R169-K172 VanDerWaalsContact O-N 3.17Å; V170-K172 VanDerWaalsContact C-N 3.32Å; V170-K172 PolarHBondContact O-N 2.93Å
173	D	93.8	Very high	96.4	Very high	88 Å²	88	70 Å²	70	47%	0.471	34%	0.335	S	S	.	.	H	α-helix	trans	-79.6	-31.5	-174.3	-61.6	-19.8	0	0	0	112.4	R169 V170 L171 S177	R169-D173 VanDerWaalsContact O-CG 3.26Å; R169-D173 PolarHBondContact O-N 3.15Å; V170-D173 PolarHBondContact O-N 3.06Å; L171-D173 VanDerWaalsContact C-N 3.28Å; L171-D173 PolarHBondContact O-N 2.96Å; D173-S177 PolarHBondContact O-OG 3.08Å
174	Y	96.1	Very high	96.5	Very high	53 Å²	53	70 Å²	70	21%	0.208	34%	0.335	C	S	.	.	H	α-helix	trans	-116.6	-14	-168.4	-63.3	-81.4	0	0	0	116.5	V170 L171 H176 S177 D178 H181	V170-Y174 HydrophobicContact CG1-CD2 3.97Å; V170-Y174 WeakPolarHBondContact O-CB 3.45Å; V170-Y174 VanDerWaalsContact O-CD2 3.27Å; V170-Y174 WeakPolarHBondContact O-CD2 3.5Å; V170-Y174 PolarHBondContact O-N 2.86Å; L171-Y174 PolarHBondContact O-N 3.13Å; Y174-H176 PolarHBondContact O-N 3.04Å; Y174-S177 WeakPolarHBondContact CA-OG 3.44Å; Y174-S177 PolarHBondContact O-N 3.2Å; Y174-S177 PolarHBondContact O-OG 3.09Å; Y174-D178 HydrophobicContact CD1-CB 4.35Å; Y174-D178 CarbonylContact O-C 3.49Å; Y174-D178 PolarHBondContact O-N 2.87Å; Y174-H181 HydrophobicContact CD1-CB 4.46Å; Y174-H181 AromaticContact CD1-CD2 3.44Å; Y174-H181 VanDerWaalsContact CD1-CD2 3.44Å; Y174-H181 WeakPolarHBondContact CD1-CD2 3.32Å; Y174-H181 AromaticContact CD1-CG 3.82Å; Y174-H181 AromaticContact CD1-NE2 3.71Å; Y174-H181 HydrophobicContact CD2-CB 4.21Å; Y174-H181 AromaticContact CD2-CG 3.98Å; Y174-H181 AromaticContact CE1-CD2 3.93Å; Y174-H181 AromaticContact CE1-CE1 3.98Å; Y174-H181 AromaticContact CE1-NE2 3.67Å; Y174-H181 HydrophobicContact CG-CB 3.84Å; Y174-H181 AromaticContact CG-CD2 3.73Å; Y174-H181 AromaticContact CG-CG 3.61Å
175	K	93	Very high	96.6	Very high	104 Å²	104	68.3 Å²	68.3	45%	0.452	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-21.5	-172.5	65.7	-178.1	173.6	159.5	0	116.1	L171 V182	L171-K175 WeakPolarHBondContact O-CB 3.06Å; L171-K175 WeakPolarHBondContact O-CD 3.42Å; L171-K175 WeakPolarHBondContact O-CG 3.41Å; L171-K175 PolarHBondContact O-N 3.35Å; K175-V182 HydrophobicContact CB-CG2 4.3Å
176	H	94.1	Very high	96.7	Very high	166 Å²	166	69.4 Å²	69.4	77%	0.769	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.9	1.1	180	-60.3	-49.1	0	0	0	113.1	Y174	Y174-H176 PolarHBondContact O-N 3.04Å
177	S	94.5	Very high	96.7	Very high	88 Å²	88	67.6 Å²	67.6	62%	0.615	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.9	-53.9	-176.7	53.5	0	0	0	0	111.5	D173 Y174	D173-S177 PolarHBondContact O-OG 3.08Å; Y174-S177 WeakPolarHBondContact CA-OG 3.44Å; Y174-S177 PolarHBondContact O-N 3.2Å; Y174-S177 PolarHBondContact O-OG 3.09Å
178	D	95.2	Very high	96.8	Very high	34 Å²	34	67.6 Å²	67.6	18%	0.182	32%	0.323	C	S	.	.			trans	-138.5	105.8	-176	-172.1	-10.8	0	0	0	111.8	Y174 R180 H181	Y174-D178 HydrophobicContact CD1-CB 4.35Å; Y174-D178 CarbonylContact O-C 3.49Å; Y174-D178 PolarHBondContact O-N 2.87Å; D178-R180 PolarHBondContact O-N 3.04Å; D178-R180 VanDerWaalsContact OD1-CB 3.24Å; D178-R180 WeakPolarHBondContact OD1-CB 3.47Å; D178-R180 WeakPolarHBondContact OD1-CG 3.39Å; D178-R180 IonicContact OD1-CZ 3.14Å; D178-R180 PolarHBondContact OD1-N 2.99Å; D178-R180 IonicContact OD1-NE 2.72Å; D178-R180 PolarHBondContact OD1-NE 3.31Å; D178-R180 IonicContact OD2-CZ 3.95Å; D178-R180 VanDerWaalsContact OD2-CZ 3.23Å; D178-R180 IonicContact OD2-NE 2.97Å; D178-R180 PolarHBondContact OD2-NE 3.02Å; D178-R180 IonicContact OD2-NH2 2.77Å; D178-R180 PolarHBondContact OD2-NH2 2.75Å; D178-H181 PolarHBondContact O-N 3.13Å; D178-H181 IonicContact OD2-CD2 3.4Å; D178-H181 IonicContact OD2-NE2 3Å
179	L	96.5	Very high	96.8	Very high	114 Å²	114	64.9 Å²	64.9	60%	0.597	31%	0.308	S	S	*	.	H	α-helix	trans	-67.6	-18.5	-177.2	-61.8	-179.9	0	0	0	113.3	H181 V182 D183	L179-H181 PolarHBondContact O-N 2.88Å; L179-V182 HydrophobicContact CD2-CG2 4.32Å; L179-V182 WeakPolarHBondContact O-CA 3.45Å; L179-V182 WeakPolarHBondContact O-CB 3.32Å; L179-V182 PolarHBondContact O-N 3.08Å; L179-D183 PolarHBondContact O-N 2.93Å
180	R	97.6	Very high	96.8	Very high	125 Å²	125	62.4 Å²	62.4	47%	0.472	30%	0.303	S	S	.	.	H	α-helix	trans	-61	-34.6	178.3	-58.5	175.7	-60.7	160.4	-1.7	111.4	I66 L67 D178 W184	I66-R180 HydrophobicContact CG2-CB 4.28Å; I66-R180 HydrophobicContact CG2-CG 4.14Å; L67-R180 HydrophobicContact CD2-CB 3.87Å; D178-R180 PolarHBondContact O-N 3.04Å; D178-R180 VanDerWaalsContact OD1-CB 3.24Å; D178-R180 WeakPolarHBondContact OD1-CB 3.47Å; D178-R180 WeakPolarHBondContact OD1-CG 3.39Å; D178-R180 IonicContact OD1-CZ 3.14Å; D178-R180 PolarHBondContact OD1-N 2.99Å; D178-R180 IonicContact OD1-NE 2.72Å; D178-R180 PolarHBondContact OD1-NE 3.31Å; D178-R180 IonicContact OD2-CZ 3.95Å; D178-R180 VanDerWaalsContact OD2-CZ 3.23Å; D178-R180 IonicContact OD2-NE 2.97Å; D178-R180 PolarHBondContact OD2-NE 3.02Å; D178-R180 IonicContact OD2-NH2 2.77Å; D178-R180 PolarHBondContact OD2-NH2 2.75Å; R180-W184 WeakPolarHBondContact O-CB 3.28Å; R180-W184 PolarHBondContact O-N 3.32Å
181	H	97.8	Very high	96.8	Very high	6 Å²	6	62.3 Å²	62.3	3%	0.028	30%	0.303	C	S	.	.	H	α-helix	trans	-69.5	-35.1	174.1	-67.4	-86.5	0	0	0	112.3	H132 V170 Y174 D178 L179 W184 V185	H132-H181 AromaticContact CE1-CE1 3.79Å; H132-H181 AromaticContact CE1-ND1 3.22Å; H132-H181 PolarHBondContact CE1-ND1 2.99Å; H132-H181 AromaticContact NE2-CE1 3.74Å; H132-H181 AromaticContact NE2-CG 3.88Å; H132-H181 AromaticContact NE2-ND1 2.86Å; H132-H181 PolarHBondContact NE2-ND1 3.44Å; V170-H181 HydrophobicContact CG1-CB 4.01Å; Y174-H181 HydrophobicContact CD1-CB 4.46Å; Y174-H181 AromaticContact CD1-CD2 3.44Å; Y174-H181 VanDerWaalsContact CD1-CD2 3.44Å; Y174-H181 WeakPolarHBondContact CD1-CD2 3.32Å; Y174-H181 AromaticContact CD1-CG 3.82Å; Y174-H181 AromaticContact CD1-NE2 3.71Å; Y174-H181 HydrophobicContact CD2-CB 4.21Å; Y174-H181 AromaticContact CD2-CG 3.98Å; Y174-H181 AromaticContact CE1-CD2 3.93Å; Y174-H181 AromaticContact CE1-CE1 3.98Å; Y174-H181 AromaticContact CE1-NE2 3.67Å; Y174-H181 HydrophobicContact CG-CB 3.84Å; Y174-H181 AromaticContact CG-CD2 3.73Å; Y174-H181 AromaticContact CG-CG 3.61Å; D178-H181 PolarHBondContact O-N 3.13Å; D178-H181 IonicContact OD2-CD2 3.4Å; D178-H181 IonicContact OD2-NE2 3Å; L179-H181 PolarHBondContact O-N 2.88Å; H181-W184 PolarHBondContact O-N 3.35Å; H181-V185 WeakPolarHBondContact O-CG2 3.45Å; H181-V185 PolarHBondContact O-N 3.49Å
182	V	97.9	Very high	96.8	Very high	20 Å²	20	60.1 Å²	60.1	12%	0.121	29%	0.291	C	S	.	.	H	α-helix	trans	-65.9	-43.7	176.1	-179	0	0	0	0	110.3	L171 K175 L179 W184 V185 K186	L171-V182 HydrophobicContact CD2-CB 4.16Å; L171-V182 HydrophobicContact CD2-CG1 3.93Å; L171-V182 HydrophobicContact CD2-CG2 3.97Å; K175-V182 HydrophobicContact CB-CG2 4.3Å; L179-V182 HydrophobicContact CD2-CG2 4.32Å; L179-V182 WeakPolarHBondContact O-CA 3.45Å; L179-V182 WeakPolarHBondContact O-CB 3.32Å; L179-V182 PolarHBondContact O-N 3.08Å; V182-W184 VanDerWaalsContact C-N 3.35Å; V182-V185 PolarHBondContact O-N 3.22Å; V182-K186 HydrophobicContact CG1-CD 4.47Å; V182-K186 WeakPolarHBondContact O-CG 3.23Å; V182-K186 PolarHBondContact O-N 3.37Å
183	D	97.8	Very high	96.8	Very high	76 Å²	76	54.8 Å²	54.8	41%	0.406	27%	0.274	S	S	.	.	H	α-helix	trans	-67.3	-37.1	177.9	-65.2	-24.8	0	0	0	111.7	N63 L179 K186 S187	N63-D183 PolarHBondContact ND2-O 3.3Å; N63-D183 VanDerWaalsContact ND2-O 3.11Å; L179-D183 PolarHBondContact O-N 2.93Å; D183-K186 PolarHBondContact O-N 3.16Å; D183-S187 PolarHBondContact O-N 2.88Å; D183-S187 PolarHBondContact O-OG 2.89Å
184	W	98.6	Very high	97	Very high	1 Å²	1	54.4 Å²	54.4	0%	0.004	27%	0.269	C	S	.	.	H	α-helix	trans	-61.1	-45.3	170.6	-179.1	90.6	0	0	0	112.5	F60 N63 S64 L67 V71 H132 A135 V136 T167 R180 H181 V182 K186 S187 Y188	F60-W184 AromaticContact CD2-NE1 3.87Å; F60-W184 AromaticContact CE2-CE2 3.61Å; F60-W184 AromaticContact CE2-CZ2 3.76Å; F60-W184 HydrophobicContact CE2-CZ2 3.76Å; F60-W184 AromaticContact CE2-NE1 3.29Å; F60-W184 VanDerWaalsContact CE2-NE1 3.29Å; F60-W184 HydrophobicContact CZ-CZ2 4.42Å; N63-W184 HydrophobicContact CB-CB 4.19Å; S64-W184 VanDerWaalsContact OG-CD1 3.31Å; S64-W184 PolarHBondContact OG-NE1 3.04Å; L67-W184 HydrophobicContact CD1-CB 3.74Å; L67-W184 HydrophobicContact CD1-CD2 4.3Å; L67-W184 HydrophobicContact CD1-CG 3.66Å; V71-W184 HydrophobicContact CG1-CZ2 4.2Å; H132-W184 HydrophobicContact CB-CH2 3.74Å; H132-W184 HydrophobicContact CB-CZ2 4.08Å; H132-W184 HydrophobicContact CB-CZ3 4.13Å; H132-W184 AromaticContact CD2-CD2 3.79Å; H132-W184 AromaticContact CD2-CE3 3.42Å; H132-W184 VanDerWaalsContact CD2-CE3 3.42Å; H132-W184 AromaticContact CD2-CH2 3.9Å; H132-W184 AromaticContact CD2-CZ3 3.49Å; H132-W184 VanDerWaalsContact CD2-CZ3 3.49Å; H132-W184 WeakPolarHBondContact CD2-CZ3 3.22Å; A135-W184 HydrophobicContact CB-CH2 4.33Å; V136-W184 HydrophobicContact CG2-CH2 4.24Å; V136-W184 HydrophobicContact CG2-CZ2 4.05Å; T167-W184 HydrophobicContact CG2-CZ3 4.29Å; R180-W184 WeakPolarHBondContact O-CB 3.28Å; R180-W184 PolarHBondContact O-N 3.32Å; H181-W184 PolarHBondContact O-N 3.35Å; V182-W184 VanDerWaalsContact C-N 3.35Å; W184-K186 PolarHBondContact O-N 2.9Å; W184-S187 PolarHBondContact O-N 3.37Å; W184-S187 PolarHBondContact O-OG 3.49Å; W184-S187 VanDerWaalsContact O-OG 3.11Å; W184-Y188 HydrophobicContact CH2-CD1 4.42Å; W184-Y188 HydrophobicContact CH2-CG 4.48Å; W184-Y188 WeakPolarHBondContact O-CB 3.28Å; W184-Y188 PolarHBondContact O-N 2.92Å
185	V	98.4	Very high	97	Very high	3 Å²	3	51.9 Å²	51.9	2%	0.018	26%	0.26	C	S	.	.	H	α-helix	trans	-60.7	-46.8	177.9	163	0	0	0	0	110.9	T167 V170 L171 H181 V182 Y188 L189	T167-V185 HydrophobicContact CG2-CG1 4.14Å; T167-V185 HydrophobicContact CG2-CG2 4.12Å; V170-V185 HydrophobicContact CB-CG2 3.94Å; V170-V185 HydrophobicContact CG1-CG2 3.7Å; L171-V185 HydrophobicContact CD1-CG1 3.97Å; L171-V185 HydrophobicContact CD2-CB 4.08Å; L171-V185 HydrophobicContact CD2-CG1 4.05Å; L171-V185 HydrophobicContact CD2-CG2 4.21Å; L171-V185 HydrophobicContact CG-CB 4.38Å; L171-V185 HydrophobicContact CG-CG1 3.97Å; L171-V185 HydrophobicContact CG-CG2 4.27Å; H181-V185 WeakPolarHBondContact O-CG2 3.45Å; H181-V185 PolarHBondContact O-N 3.49Å; V182-V185 PolarHBondContact O-N 3.22Å; V185-Y188 PolarHBondContact O-N 3.47Å; V185-L189 HydrophobicContact CG1-CD1 4.01Å; V185-L189 HydrophobicContact CG1-CG 4.46Å; V185-L189 WeakPolarHBondContact O-CG 3.47Å; V185-L189 PolarHBondContact O-N 3.28Å
186	K	98	Very high	97.2	Very high	128 Å²	128	49.1 Å²	49.1	56%	0.557	25%	0.248	S	C	*	.	H	α-helix	trans	-60.7	-49.5	179.5	-72.5	172.4	-176.3	167.1	0	111.3	V182 D183 W184 Y188 N190	V182-K186 HydrophobicContact CG1-CD 4.47Å; V182-K186 WeakPolarHBondContact O-CG 3.23Å; V182-K186 PolarHBondContact O-N 3.37Å; D183-K186 PolarHBondContact O-N 3.16Å; W184-K186 PolarHBondContact O-N 2.9Å; K186-Y188 VanDerWaalsContact C-N 3.3Å; K186-Y188 PolarHBondContact O-N 3.22Å; K186-N190 WeakPolarHBondContact O-CB 3.43Å; K186-N190 PolarHBondContact O-N 3.27Å
187	S	98.1	Very high	97.3	Very high	4 Å²	4	43.4 Å²	43.4	3%	0.028	23%	0.23	C	C	.	.	H	α-helix	trans	-64.6	-36.7	-179.1	63.3	0	0	0	0	111.9	N63 D183 W184 N190 I191	N63-S187 PolarHBondContact ND2-OG 3.45Å; N63-S187 VanDerWaalsContact ND2-OG 3.13Å; D183-S187 PolarHBondContact O-N 2.88Å; D183-S187 PolarHBondContact O-OG 2.89Å; W184-S187 PolarHBondContact O-N 3.37Å; W184-S187 PolarHBondContact O-OG 3.49Å; W184-S187 VanDerWaalsContact O-OG 3.11Å; S187-N190 PolarHBondContact O-N 3.04Å; S187-I191 PolarHBondContact O-N 3.47Å
188	Y	98.4	Very high	97.5	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-65.8	-49.8	177.9	-171.9	-117	0	0	0	113.4	F60 A135 V136 S139 A163 T167 W184 V185 K186 N190 I191 W192	F60-Y188 AromaticContact CD2-CD2 3.59Å; F60-Y188 HydrophobicContact CD2-CD2 3.59Å; F60-Y188 HydrophobicContact CD2-CG 4.16Å; F60-Y188 HydrophobicContact CE1-CD2 4.35Å; F60-Y188 AromaticContact CE2-CD2 3.26Å; F60-Y188 HydrophobicContact CE2-CD2 3.26Å; F60-Y188 HydrophobicContact CE2-CE2 4.04Å; F60-Y188 AromaticContact CE2-CG 3.91Å; F60-Y188 HydrophobicContact CE2-CG 3.91Å; F60-Y188 HydrophobicContact CG-CD2 4.25Å; F60-Y188 AromaticContact CZ-CD2 3.7Å; F60-Y188 HydrophobicContact CZ-CD2 3.7Å; F60-Y188 HydrophobicContact CZ-CE2 4.02Å; A135-Y188 HydrophobicContact CB-CE1 4.33Å; V136-Y188 VanDerWaalsContact CA-OH 3.28Å; V136-Y188 WeakPolarHBondContact CA-OH 3.44Å; V136-Y188 HydrophobicContact CG2-CE1 4.23Å; V136-Y188 HydrophobicContact CG2-CE2 3.95Å; S139-Y188 PolarHBondContact OG-OH 2.96Å; A163-Y188 HydrophobicContact CB-CE1 4.05Å; T167-Y188 HydrophobicContact CG2-CD1 4.42Å; W184-Y188 HydrophobicContact CH2-CD1 4.42Å; W184-Y188 HydrophobicContact CH2-CG 4.48Å; W184-Y188 WeakPolarHBondContact O-CB 3.28Å; W184-Y188 PolarHBondContact O-N 2.92Å; V185-Y188 PolarHBondContact O-N 3.47Å; K186-Y188 VanDerWaalsContact C-N 3.3Å; K186-Y188 PolarHBondContact O-N 3.22Å; Y188-N190 PolarHBondContact O-N 2.87Å; Y188-I191 HydrophobicContact CD2-CD1 4.21Å; Y188-I191 WeakPolarHBondContact O-CB 3.39Å; Y188-I191 PolarHBondContact O-N 2.79Å; Y188-W192 AromaticContact CE1-NE1 3.55Å; Y188-W192 HydrophobicContact CE2-CZ2 4.28Å; Y188-W192 AromaticContact CZ-CE2 3.95Å; Y188-W192 AromaticContact CZ-CZ2 3.92Å; Y188-W192 AromaticContact CZ-NE1 3.44Å; Y188-W192 VanDerWaalsContact OH-CZ2 3.25Å; Y188-W192 WeakPolarHBondContact OH-CZ2 3.33Å; Y188-W192 PolarHBondContact OH-NE1 2.84Å
189	L	97.8	Very high	97.6	Very high	33 Å²	33	38.2 Å²	38.2	17%	0.173	20%	0.195	C	C	.	.	H	α-helix	trans	-66.3	-27	178.5	-63.2	178.6	0	0	0	112.4	N160 A163 T167 V185 I191 W192 S193	N160-L189 WeakPolarHBondContact OD1-CD2 3.43Å; A163-L189 HydrophobicContact CB-CD2 3.75Å; T167-L189 HydrophobicContact CG2-CD2 4.18Å; T167-L189 HydrophobicContact CG2-CG 4.43Å; V185-L189 HydrophobicContact CG1-CD1 4.01Å; V185-L189 HydrophobicContact CG1-CG 4.46Å; V185-L189 WeakPolarHBondContact O-CG 3.47Å; V185-L189 PolarHBondContact O-N 3.28Å; L189-I191 VanDerWaalsContact C-N 3.33Å; L189-I191 PolarHBondContact O-N 3.17Å; L189-W192 PolarHBondContact O-N 3.17Å; L189-S193 PolarHBondContact O-N 3.05Å; L189-S193 PolarHBondContact O-OG 2.68Å; L189-S193 VanDerWaalsContact O-OG 3.05Å
190	N	97.4	Very high	97.5	Very high	56 Å²	56	40.4 Å²	40.4	30%	0.299	20%	0.199	S	C	.	.	H	α-helix	trans	-67	-33.6	177.4	-159.4	42.4	0	0	0	112.5	M56 K186 S187 Y188 W192 S193 E194	M56-N190 PolarHBondContact SD-ND2 3.03Å; K186-N190 WeakPolarHBondContact O-CB 3.43Å; K186-N190 PolarHBondContact O-N 3.27Å; S187-N190 PolarHBondContact O-N 3.04Å; Y188-N190 PolarHBondContact O-N 2.87Å; N190-W192 VanDerWaalsContact C-N 3.27Å; N190-W192 PolarHBondContact O-N 2.95Å; N190-S193 PolarHBondContact O-N 2.72Å; N190-E194 WeakPolarHBondContact O-CG 3.39Å; N190-E194 PolarHBondContact O-N 3.41Å
191	I	98.1	Very high	97.5	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-53.2	-48.1	174.5	-66.9	168.8	0	0	0	110.7	M56 V57 F60 F82 S187 Y188 L189 S193 L195	M56-I191 HydrophobicContact CB-CG1 4.16Å; V57-I191 HydrophobicContact CG2-CD1 4.31Å; V57-I191 HydrophobicContact CG2-CG1 4.33Å; V57-I191 HydrophobicContact CG2-CG2 4.38Å; F60-I191 HydrophobicContact CB-CD1 3.58Å; F60-I191 HydrophobicContact CB-CG1 4.44Å; F60-I191 HydrophobicContact CD1-CD1 3.85Å; F60-I191 HydrophobicContact CD2-CD1 4.4Å; F60-I191 HydrophobicContact CG-CD1 3.68Å; F82-I191 HydrophobicContact CE1-CG2 4.02Å; F82-I191 HydrophobicContact CE2-CG2 4.1Å; F82-I191 HydrophobicContact CZ-CG2 3.36Å; S187-I191 PolarHBondContact O-N 3.47Å; Y188-I191 HydrophobicContact CD2-CD1 4.21Å; Y188-I191 WeakPolarHBondContact O-CB 3.39Å; Y188-I191 PolarHBondContact O-N 2.79Å; L189-I191 VanDerWaalsContact C-N 3.33Å; L189-I191 PolarHBondContact O-N 3.17Å; I191-S193 VanDerWaalsContact C-N 3.35Å; I191-L195 VanDerWaalsContact O-CB 3.27Å; I191-L195 WeakPolarHBondContact O-CB 3.38Å; I191-L195 PolarHBondContact O-N 3.44Å
192	W	97.6	Very high	97.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-72.7	-29.5	-177.1	-54.9	130.1	0	0	0	113.2	F82 S139 I140 A142 L143 V156 N160 Y188 L189 N190 L195 Q196	F82-W192 HydrophobicContact CE2-CH2 4.35Å; F82-W192 HydrophobicContact CE2-CZ3 4.41Å; F82-W192 HydrophobicContact CZ-CH2 4.38Å; F82-W192 HydrophobicContact CZ-CZ3 4Å; S139-W192 PolarHBondContact OG-NE1 3.38Å; I140-W192 HydrophobicContact CD1-CH2 4.11Å; A142-W192 HydrophobicContact CB-CD2 4.41Å; A142-W192 HydrophobicContact CB-CE3 3.74Å; A142-W192 HydrophobicContact CB-CH2 3.86Å; A142-W192 HydrophobicContact CB-CZ2 4.48Å; A142-W192 HydrophobicContact CB-CZ3 3.46Å; A142-W192 VanDerWaalsContact CB-CZ3 3.46Å; L143-W192 HydrophobicContact CD2-CZ3 4.38Å; V156-W192 HydrophobicContact CG1-CE3 4.49Å; N160-W192 HydrophobicContact CB-CB 3.78Å; N160-W192 HydrophobicContact CB-CG 4.27Å; N160-W192 VanDerWaalsContact OD1-CD1 3.28Å; Y188-W192 AromaticContact CE1-NE1 3.55Å; Y188-W192 HydrophobicContact CE2-CZ2 4.28Å; Y188-W192 AromaticContact CZ-CE2 3.95Å; Y188-W192 AromaticContact CZ-CZ2 3.92Å; Y188-W192 AromaticContact CZ-NE1 3.44Å; Y188-W192 VanDerWaalsContact OH-CZ2 3.25Å; Y188-W192 WeakPolarHBondContact OH-CZ2 3.33Å; Y188-W192 PolarHBondContact OH-NE1 2.84Å; L189-W192 PolarHBondContact O-N 3.17Å; N190-W192 VanDerWaalsContact C-N 3.27Å; N190-W192 PolarHBondContact O-N 2.95Å; W192-L195 HydrophobicContact CE3-CD2 3.92Å; W192-L195 HydrophobicContact CZ3-CD2 3.98Å; W192-Q196 WeakPolarHBondContact O-CG 3.26Å; W192-Q196 PolarHBondContact O-N 2.91Å; W192-Q196 VanDerWaalsContact O-N 3.11Å; W192-Q196 PolarHBondContact O-NE2 3.27Å; W192-Q196 VanDerWaalsContact O-NE2 3.12Å
193	S	96.3	Very high	97.2	Very high	51 Å²	51	42.7 Å²	42.7	36%	0.357	21%	0.214	S	C	.	.	H	α-helix	trans	-71.1	-45.7	176.7	-57	0	0	0	0	110.6	L189 N190 I191 Q196 A197	L189-S193 PolarHBondContact O-N 3.05Å; L189-S193 PolarHBondContact O-OG 2.68Å; L189-S193 VanDerWaalsContact O-OG 3.05Å; N190-S193 PolarHBondContact O-N 2.72Å; I191-S193 VanDerWaalsContact C-N 3.35Å; S193-Q196 WeakPolarHBondContact O-CB 3.47Å; S193-Q196 PolarHBondContact O-N 3.23Å; S193-A197 PolarHBondContact O-N 3Å; S193-A197 VanDerWaalsContact O-N 3.13Å
194	E	97.1	Very high	97	Very high	80 Å²	80	43.3 Å²	43.3	37%	0.374	22%	0.22	S	C	.	.	H	α-helix	trans	-68.5	-34.1	175	-69.4	-62	139.1	0	0	112.1	L52 M56 N190 Q196 A197 Y198	L52-E194 HydrophobicContact CD1-CB 3.98Å; L52-E194 HydrophobicContact CG-CB 4.4Å; M56-E194 HydrophobicContact CE-CG 4.25Å; M56-E194 HydrophobicContact CG-CB 4.24Å; M56-E194 HydrophobicContact CG-CG 3.89Å; M56-E194 HydrophobicContact SD-CG 4.36Å; N190-E194 WeakPolarHBondContact O-CG 3.39Å; N190-E194 PolarHBondContact O-N 3.41Å; E194-Q196 VanDerWaalsContact C-N 3.33Å; E194-Q196 PolarHBondContact O-N 3.29Å; E194-A197 PolarHBondContact O-N 3.26Å; E194-Y198 WeakPolarHBondContact O-CB 3.41Å; E194-Y198 PolarHBondContact O-N 2.89Å
195	L	97.6	Very high	96.8	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-64.1	-38.3	173.6	-175.4	62.7	0	0	0	111.7	F49 L52 V156 I191 W192 Y198 I199	F49-L195 HydrophobicContact CE2-CD1 4.05Å; L52-L195 HydrophobicContact CD1-CB 4.28Å; L52-L195 HydrophobicContact CD1-CD1 4.45Å; V156-L195 HydrophobicContact CG1-CB 4.47Å; V156-L195 HydrophobicContact CG1-CD2 4.08Å; V156-L195 HydrophobicContact CG1-CG 4.37Å; V156-L195 HydrophobicContact CG2-CD2 4.31Å; I191-L195 VanDerWaalsContact O-CB 3.27Å; I191-L195 WeakPolarHBondContact O-CB 3.38Å; I191-L195 PolarHBondContact O-N 3.44Å; W192-L195 HydrophobicContact CE3-CD2 3.92Å; W192-L195 HydrophobicContact CZ3-CD2 3.98Å; L195-Y198 HydrophobicContact CD1-CD1 4.03Å; L195-Y198 WeakPolarHBondContact O-CB 3.43Å; L195-Y198 PolarHBondContact O-N 3.48Å; L195-I199 HydrophobicContact CD1-CD1 4.39Å; L195-I199 HydrophobicContact CG-CD1 4.01Å; L195-I199 WeakPolarHBondContact O-CB 3.36Å; L195-I199 WeakPolarHBondContact O-CD1 3.36Å; L195-I199 VanDerWaalsContact O-CG1 3.22Å; L195-I199 WeakPolarHBondContact O-CG1 3.45Å; L195-I199 PolarHBondContact O-N 3.26Å
196	Q	96.7	Very high	96.5	Very high	46 Å²	46	48.4 Å²	48.4	22%	0.215	25%	0.254	C	S	.	.	H	α-helix	trans	-63.9	-42	172.9	-76.4	169.8	72.9	0	0	112	V156 W192 S193 E194 I199 K200	V156-Q196 HydrophobicContact CB-CG 3.91Å; V156-Q196 HydrophobicContact CG1-CG 3.73Å; W192-Q196 WeakPolarHBondContact O-CG 3.26Å; W192-Q196 PolarHBondContact O-N 2.91Å; W192-Q196 VanDerWaalsContact O-N 3.11Å; W192-Q196 PolarHBondContact O-NE2 3.27Å; W192-Q196 VanDerWaalsContact O-NE2 3.12Å; S193-Q196 WeakPolarHBondContact O-CB 3.47Å; S193-Q196 PolarHBondContact O-N 3.23Å; E194-Q196 VanDerWaalsContact C-N 3.33Å; E194-Q196 PolarHBondContact O-N 3.29Å; Q196-I199 PolarHBondContact O-N 3.06Å; Q196-K200 WeakPolarHBondContact O-CB 3.36Å; Q196-K200 PolarHBondContact O-N 3.15Å
197	A	96.9	Very high	96.3	Very high	47 Å²	47	43.2 Å²	43.2	39%	0.388	23%	0.232	S	C	.	.	H	α-helix	trans	-61.2	-47.1	176	0	0	0	0	0	111.1	S193 E194 I199 K200 E201	S193-A197 PolarHBondContact O-N 3Å; S193-A197 VanDerWaalsContact O-N 3.13Å; E194-A197 PolarHBondContact O-N 3.26Å; A197-I199 PolarHBondContact O-N 3.21Å; A197-K200 WeakPolarHBondContact O-CB 3.46Å; A197-K200 PolarHBondContact O-N 3.07Å; A197-E201 PolarHBondContact O-N 3.33Å
198	Y	97.6	Very high	96.1	Very high	12 Å²	12	46.8 Å²	46.8	5%	0.047	25%	0.253	C	S	.	.	H	α-helix	trans	-55.4	-49.5	174.2	170.2	-100.5	0	0	0	112.8	S45 A48 F49 L89 W145 E194 L195 K200 E201 H202 H203	S45-Y198 WeakPolarHBondContact O-CE2 3.43Å; S45-Y198 VanDerWaalsContact O-CZ 3.3Å; S45-Y198 PolarHBondContact O-OH 3.07Å; A48-Y198 HydrophobicContact CB-CD2 4.03Å; A48-Y198 HydrophobicContact CB-CE2 3.94Å; F49-Y198 HydrophobicContact CB-CE2 4.06Å; F49-Y198 HydrophobicContact CD2-CD1 4.25Å; F49-Y198 AromaticContact CD2-CE1 3.9Å; F49-Y198 HydrophobicContact CD2-CE1 3.9Å; L89-Y198 HydrophobicContact CD1-CE1 4.35Å; W145-Y198 HydrophobicContact CH2-CE1 4.28Å; W145-Y198 AromaticContact CZ2-CE1 3.96Å; W145-Y198 HydrophobicContact CZ2-CE1 3.96Å; E194-Y198 WeakPolarHBondContact O-CB 3.41Å; E194-Y198 PolarHBondContact O-N 2.89Å; L195-Y198 HydrophobicContact CD1-CD1 4.03Å; L195-Y198 WeakPolarHBondContact O-CB 3.43Å; L195-Y198 PolarHBondContact O-N 3.48Å; Y198-K200 VanDerWaalsContact C-N 3.32Å; Y198-K200 PolarHBondContact O-N 2.7Å; Y198-E201 PolarHBondContact O-N 3.49Å; Y198-H202 AromaticContact CD2-CD2 3.53Å; Y198-H202 HydrophobicContact CE2-CB 4.4Å; Y198-H202 AromaticContact CE2-CD2 3.51Å; Y198-H202 PolarHBondContact O-N 3.2Å; Y198-H203 AromaticContact CE1-CD2 3.64Å; Y198-H203 AromaticContact CZ-CD2 3.81Å; Y198-H203 AromaticContact CZ-NE2 3.84Å; Y198-H203 PolarHBondContact OH-NE2 3.31Å
199	I	97.4	Very high	95.8	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-62.7	-42	178.5	-70.5	165.8	0	0	0	110.4	W145 P152 V156 L195 Q196 A197 E201 H203 T204	W145-I199 HydrophobicContact CB-CD1 4.11Å; W145-I199 HydrophobicContact CD2-CD1 3.46Å; W145-I199 VanDerWaalsContact CD2-CD1 3.46Å; W145-I199 HydrophobicContact CD2-CG1 3.79Å; W145-I199 HydrophobicContact CE3-CD1 3.88Å; W145-I199 HydrophobicContact CE3-CG1 3.87Å; W145-I199 HydrophobicContact CE3-CG2 4.45Å; W145-I199 HydrophobicContact CG-CD1 3.57Å; W145-I199 HydrophobicContact CG-CG1 4.42Å; W145-I199 HydrophobicContact CH2-CG1 4.16Å; W145-I199 HydrophobicContact CZ2-CG1 4.05Å; W145-I199 HydrophobicContact CZ3-CG1 4.06Å; P152-I199 HydrophobicContact CB-CG2 3.85Å; P152-I199 HydrophobicContact CG-CG2 3.59Å; V156-I199 HydrophobicContact CB-CD1 4.42Å; V156-I199 HydrophobicContact CG2-CD1 3.57Å; L195-I199 HydrophobicContact CD1-CD1 4.39Å; L195-I199 HydrophobicContact CG-CD1 4.01Å; L195-I199 WeakPolarHBondContact O-CB 3.36Å; L195-I199 WeakPolarHBondContact O-CD1 3.36Å; L195-I199 VanDerWaalsContact O-CG1 3.22Å; L195-I199 WeakPolarHBondContact O-CG1 3.45Å; L195-I199 PolarHBondContact O-N 3.26Å; Q196-I199 PolarHBondContact O-N 3.06Å; A197-I199 PolarHBondContact O-N 3.21Å; I199-E201 VanDerWaalsContact C-N 3.27Å; I199-E201 PolarHBondContact O-N 3.41Å; I199-H203 HydrophobicContact CG2-CB 4.34Å; I199-H203 CarbonylContact O-C 3.59Å; I199-H203 VanDerWaalsContact O-CA 3.24Å; I199-H203 WeakPolarHBondContact O-CA 3.42Å; I199-H203 PolarHBondContact O-N 3.28Å; I199-T204 PolarHBondContact O-N 3.14Å
200	K	95.6	Very high	95.4	Very high	160 Å²	160	48.3 Å²	48.3	70%	0.696	26%	0.261	S	S	*	.	H	α-helix	trans	-61.5	-38.2	179.4	-174.2	-180	178.1	-176.4	0	111.8	Q196 A197 Y198 T204	Q196-K200 WeakPolarHBondContact O-CB 3.36Å; Q196-K200 PolarHBondContact O-N 3.15Å; A197-K200 WeakPolarHBondContact O-CB 3.46Å; A197-K200 PolarHBondContact O-N 3.07Å; Y198-K200 VanDerWaalsContact C-N 3.32Å; Y198-K200 PolarHBondContact O-N 2.7Å; K200-T204 PolarHBondContact O-OG1 2.84Å
201	E	96.1	Very high	94.9	Very high	148 Å²	148	55.1 Å²	55.1	69%	0.692	29%	0.288	S	S	*	.	H	α-helix	trans	-77.2	-44.2	-178.6	-172.5	173	174.8	0	0	113.2	A197 Y198 I199	A197-E201 PolarHBondContact O-N 3.33Å; Y198-E201 PolarHBondContact O-N 3.49Å; I199-E201 VanDerWaalsContact C-N 3.27Å; I199-E201 PolarHBondContact O-N 3.41Å
202	H	94.9	Very high	93.8	Very high	47 Å²	47	60 Å²	60	22%	0.218	32%	0.318	C	S	.	.	H	α-helix	trans	-109	-20.4	-169.8	-62.4	-67.9	0	0	0	115	A48 Y198 T208	A48-H202 WeakPolarHBondContact CB-NE2 3.33Å; Y198-H202 AromaticContact CD2-CD2 3.53Å; Y198-H202 HydrophobicContact CE2-CB 4.4Å; Y198-H202 AromaticContact CE2-CD2 3.51Å; Y198-H202 PolarHBondContact O-N 3.2Å; H202-T208 PolarHBondContact O-OG1 2.68Å
203	H	95.4	Very high	92.7	Very high	4 Å²	4	62 Å²	62	2%	0.019	34%	0.338	C	S	.	.			trans	-143.4	38.3	-166	-61.5	-57.9	0	0	0	113	W145 P152 Y198 I199 T205 G206 T208	W145-H203 HydrophobicContact CH2-CB 3.85Å; W145-H203 AromaticContact CH2-CD2 3.4Å; W145-H203 VanDerWaalsContact CH2-CD2 3.4Å; W145-H203 WeakPolarHBondContact CH2-CD2 3.48Å; W145-H203 AromaticContact CH2-CG 3.62Å; W145-H203 HydrophobicContact CZ3-CB 3.6Å; W145-H203 AromaticContact CZ3-CG 3.85Å; P152-H203 WeakPolarHBondContact CG-O 3.32Å; Y198-H203 AromaticContact CE1-CD2 3.64Å; Y198-H203 AromaticContact CZ-CD2 3.81Å; Y198-H203 AromaticContact CZ-NE2 3.84Å; Y198-H203 PolarHBondContact OH-NE2 3.31Å; I199-H203 HydrophobicContact CG2-CB 4.34Å; I199-H203 CarbonylContact O-C 3.59Å; I199-H203 VanDerWaalsContact O-CA 3.24Å; I199-H203 WeakPolarHBondContact O-CA 3.42Å; I199-H203 PolarHBondContact O-N 3.28Å; H203-T205 VanDerWaalsContact C-N 3.26Å; H203-T205 PolarHBondContact O-N 3.24Å; H203-T205 VanDerWaalsContact O-N 3.09Å; H203-G206 CarbonylContact C-O 3.6Å; H203-G206 WeakPolarHBondContact CA-O 3.37Å; H203-G206 WeakPolarHBondContact CB-O 3.4Å; H203-G206 PolarHBondContact O-N 3.47Å; H203-G206 VanDerWaalsContact O-N 3.08Å; H203-T208 WeakPolarHBondContact ND1-CB 3.32Å; H203-T208 PolarHBondContact ND1-N 3.3Å; H203-T208 PolarHBondContact ND1-OG1 2.82Å
204	T	93.9	Very high	92.1	Very high	88 Å²	88	63.4 Å²	63.4	54%	0.54	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-38.8	-165.9	-40.1	0	0	0	0	113.8	I199 K200	I199-T204 PolarHBondContact O-N 3.14Å; K200-T204 PolarHBondContact O-OG1 2.84Å
205	T	93.4	Very high	91.4	Very high	102 Å²	102	62.5 Å²	62.5	63%	0.626	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.7	13.2	-176.6	54.2	0	0	0	0	113.8	S149 P150 H203	S149-T205 PolarHBondContact OG-O 2.95Å; P150-T205 WeakPolarHBondContact CA-O 3.45Å; P150-T205 WeakPolarHBondContact O-CA 3.49Å; H203-T205 VanDerWaalsContact C-N 3.26Å; H203-T205 PolarHBondContact O-N 3.24Å; H203-T205 VanDerWaalsContact O-N 3.09Å
206	G	93	Very high	90.6	Very high	9 Å²	9	62.5 Å²	62.5	9%	0.093	35%	0.346	C	S	.	.	S	Bend	trans	134	171.7	-174.2	0	0	0	0	0	111.3	H203 T208	H203-G206 CarbonylContact C-O 3.6Å; H203-G206 WeakPolarHBondContact CA-O 3.37Å; H203-G206 WeakPolarHBondContact CB-O 3.4Å; H203-G206 PolarHBondContact O-N 3.47Å; H203-G206 VanDerWaalsContact O-N 3.08Å; G206-T208 PolarHBondContact O-N 2.86Å
207	L	94.1	Very high	89.8	Confident	20 Å²	20	62.2 Å²	62.2	11%	0.105	35%	0.349	C	S	.	.			trans	-58.5	131.2	176	178.1	65.8	0	0	0	111.1	F88 L89 A92 W145 I146 W209	F88-L207 HydrophobicContact CD1-CD2 4.08Å; F88-L207 HydrophobicContact CE1-CD2 3.46Å; F88-L207 VanDerWaalsContact CE1-CD2 3.46Å; L89-L207 HydrophobicContact CD2-CD1 3.55Å; A92-L207 HydrophobicContact CB-CD1 4.14Å; A92-L207 HydrophobicContact CB-CD2 3.87Å; A92-L207 HydrophobicContact CB-CG 4.18Å; W145-L207 HydrophobicContact CH2-CD1 4.1Å; W145-L207 HydrophobicContact CZ3-CB 4.42Å; W145-L207 HydrophobicContact CZ3-CD1 4.46Å; I146-L207 HydrophobicContact CB-CD2 4.2Å; I146-L207 HydrophobicContact CG2-CD1 4.28Å; I146-L207 HydrophobicContact CG2-CD2 4.3Å; L207-W209 HydrophobicContact CD2-CZ2 3.82Å
208	T	93.1	Very high	88.4	Confident	78 Å²	78	62.1 Å²	62.1	48%	0.479	34%	0.344	S	S	.	.			trans	-91.6	112.5	-179.8	-50.7	0	0	0	0	108.5	H202 H203 G206	H202-T208 PolarHBondContact O-OG1 2.68Å; H203-T208 WeakPolarHBondContact ND1-CB 3.32Å; H203-T208 PolarHBondContact ND1-N 3.3Å; H203-T208 PolarHBondContact ND1-OG1 2.82Å; G206-T208 PolarHBondContact O-N 2.86Å
209	W	92.6	Very high	86.7	Confident	40 Å²	40	66.7 Å²	66.7	15%	0.152	37%	0.372	C	S	.	.			trans	-87.4	157.2	173.3	-64.2	84.2	0	0	0	110.9	F88 M91 A92 Q97 P98 L207 A216	F88-W209 HydrophobicContact CE1-CH2 4.08Å; F88-W209 HydrophobicContact CE1-CZ2 4.17Å; F88-W209 AromaticContact CZ-CH2 3.91Å; F88-W209 HydrophobicContact CZ-CH2 3.91Å; F88-W209 HydrophobicContact CZ-CZ2 4.14Å; M91-W209 HydrophobicContact CE-CH2 4.34Å; M91-W209 HydrophobicContact CE-CZ3 4.47Å; A92-W209 HydrophobicContact CB-CD2 4.21Å; A92-W209 HydrophobicContact CB-CE3 3.93Å; A92-W209 HydrophobicContact CB-CH2 4.47Å; A92-W209 HydrophobicContact CB-CZ3 4.06Å; A92-W209 CarbonylContact O-C 2.96Å; A92-W209 WeakPolarHBondContact O-CA 3.47Å; Q97-W209 HydrophobicContact CB-CB 4.16Å; Q97-W209 HydrophobicContact CB-CD2 4.04Å; Q97-W209 HydrophobicContact CB-CG 3.73Å; Q97-W209 HydrophobicContact CG-CD2 4.34Å; Q97-W209 HydrophobicContact CG-CG 4.23Å; P98-W209 VanDerWaalsContact CD-CZ2 3.42Å; P98-W209 VanDerWaalsContact CD-CZ3 3.47Å; P98-W209 HydrophobicContact CG-CH2 3.73Å; P98-W209 HydrophobicContact CG-CZ2 3.98Å; P98-W209 HydrophobicContact CG-CZ3 4.29Å; L207-W209 HydrophobicContact CD2-CZ2 3.82Å; W209-A216 HydrophobicContact CE3-CB 4.47Å; W209-A216 HydrophobicContact CH2-CB 4.43Å; W209-A216 HydrophobicContact CZ3-CB 3.73Å
210	S	89.6	Confident	85.1	Confident	25 Å²	25	67.1 Å²	67.1	18%	0.175	38%	0.376	C	S	.	.			trans	-60.1	140.5	172	-172.8	0	0	0	0	110.6	A92 S93 Y95 Q96 T212	A92-S210 PolarHBondContact O-N 3.4Å; S93-S210 WeakPolarHBondContact O-CB 3.29Å; Y95-S210 WeakPolarHBondContact O-CB 3.3Å; Y95-S210 PolarHBondContact O-N 3.48Å; Y95-S210 VanDerWaalsContact O-N 3.11Å; Q96-S210 WeakPolarHBondContact CA-O 3.35Å; Q96-S210 WeakPolarHBondContact CG-O 3.43Å; S210-T212 VanDerWaalsContact C-N 3.3Å; S210-T212 VanDerWaalsContact CB-O 3.32Å; S210-T212 WeakPolarHBondContact CB-O 3.37Å; S210-T212 PolarHBondContact OG-N 2.95Å; S210-T212 PolarHBondContact OG-O 3.05Å
211	K	85.8	Confident	83.4	Confident	199 Å²	199	61 Å²	61	87%	0.865	36%	0.355	S	S	*	.	S	Bend	trans	-82.7	-12.6	173.8	-64	-176.5	-179.6	178.9	0	112.6
212	T	74.4	Confident	81.5	Confident	104 Å²	104	60.9 Å²	60.9	64%	0.638	35%	0.353	S	S	*	.	S	Bend	trans	-132.6	158.5	-176.3	55.8	0	0	0	0	109.7	S210	S210-T212 VanDerWaalsContact C-N 3.3Å; S210-T212 VanDerWaalsContact CB-O 3.32Å; S210-T212 WeakPolarHBondContact CB-O 3.37Å; S210-T212 PolarHBondContact OG-N 2.95Å; S210-T212 PolarHBondContact OG-O 3.05Å
213	G	75.8	Confident	79.6	Confident	41 Å²	41	62 Å²	62	42%	0.423	37%	0.365	S	S	.	.	S	Bend	trans	98	178.9	-176.8	0	0	0	0	0	113.5	Q96	Q96-G213 WeakPolarHBondContact CG-O 3.4Å; Q96-G213 PolarHBondContact NE2-O 3.41Å
214	P	82.6	Confident	77.8	Confident	81 Å²	81	62.6 Å²	62.6	53%	0.526	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-69.6	155	-177.3	25.4	-30.2	0	0	0	112.3	Y95 Q96	Y95-P214 CarbonylContact C-O 3.52Å; Y95-P214 VanDerWaalsContact CA-O 3.31Å; Y95-P214 WeakPolarHBondContact CA-O 3.33Å; Y95-P214 WeakPolarHBondContact CB-O 3.39Å; Y95-P214 HydrophobicContact CD1-CB 4.24Å; Y95-P214 HydrophobicContact CD1-CG 3.64Å; Y95-P214 WeakPolarHBondContact CD1-O 3.32Å; Y95-P214 HydrophobicContact CE1-CB 4.36Å; Y95-P214 HydrophobicContact CE1-CG 3.52Å; Q96-P214 PolarHBondContact N-O 3.27Å
215	V	83.1	Confident	75.7	Confident	61 Å²	61	64.5 Å²	64.5	37%	0.37	38%	0.375	S	S	.	.	B	Isolated β-bridge	trans	-64.9	133.6	171.6	178.2	0	0	0	0	108.9	Q96 S217	Q96-V215 HydrophobicContact CB-CG2 4.45Å; V215-S217 PolarHBondContact O-N 2.91Å
216	A	81.1	Confident	73.1	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-61.1	130.5	177.1	0	0	0	0	0	109.9	Y95 Q96 P98 L106 W209	Y95-A216 HydrophobicContact CG-CB 4.38Å; Q96-A216 WeakPolarHBondContact O-CB 3.47Å; Q96-A216 PolarHBondContact O-N 3.08Å; P98-A216 HydrophobicContact CB-CB 4.03Å; P98-A216 WeakPolarHBondContact CB-O 3.14Å; P98-A216 HydrophobicContact CG-CB 4.3Å; L106-A216 HydrophobicContact CD1-CB 4.09Å; W209-A216 HydrophobicContact CE3-CB 4.47Å; W209-A216 HydrophobicContact CH2-CB 4.43Å; W209-A216 HydrophobicContact CZ3-CB 3.73Å
217	S	80.2	Confident	70.3	Confident	39 Å²	39	68.6 Å²	68.6	27%	0.273	41%	0.407	S	S	.	.			trans	-137.3	171.3	174.1	-174.9	0	0	0	0	109.1	V215 V219 S220 A221	V215-S217 PolarHBondContact O-N 2.91Å; S217-V219 PolarHBondContact O-N 2.93Å; S217-V219 VanDerWaalsContact O-N 3.15Å; S217-S220 PolarHBondContact N-OG 2.59Å; S217-S220 VanDerWaalsContact N-OG 3.12Å; S217-S220 WeakPolarHBondContact O-CA 3.44Å; S217-S220 WeakPolarHBondContact O-CB 3.3Å; S217-S220 PolarHBondContact O-N 3.46Å; S217-S220 PolarHBondContact O-OG 2.98Å; S217-A221 PolarHBondContact O-N 3.37Å
218	T	65.9	Low	67.5	Low	46 Å²	46	70.3 Å²	70.3	28%	0.282	43%	0.429	S	S	.	.	H	α-helix	trans	-55.2	-33	177.3	55	0	0	0	0	112.2	T105 S220 A221 F222	T105-T218 HydrophobicContact CG2-CG2 3.54Å; T218-S220 VanDerWaalsContact C-N 3.33Å; T218-S220 PolarHBondContact O-N 3.45Å; T218-A221 PolarHBondContact O-N 3.28Å; T218-F222 WeakPolarHBondContact O-CD2 3.07Å
219	V	63.6	Low	64.8	Low	107 Å²	107	73 Å²	73	65%	0.648	45%	0.449	S	S	*	.	H	α-helix	trans	-65	-34.1	174.5	-172.4	0	0	0	0	112.3	S217 A221 F222 S223	S217-V219 PolarHBondContact O-N 2.93Å; S217-V219 VanDerWaalsContact O-N 3.15Å; V219-A221 PolarHBondContact O-N 3.03Å; V219-F222 PolarHBondContact O-N 2.75Å; V219-S223 PolarHBondContact O-N 3.2Å
220	S	63.5	Low	62.1	Low	10 Å²	10	74.8 Å²	74.8	7%	0.07	48%	0.479	C	S	.	.	H	α-helix	trans	-65.3	-37.5	177.4	-51.5	0	0	0	0	112.2	Y95 S217 T218 F222 S223 V224	Y95-S220 VanDerWaalsContact CD1-OG 3.31Å; Y95-S220 WeakPolarHBondContact CD1-OG 3.5Å; Y95-S220 WeakPolarHBondContact CE1-OG 3.48Å; S217-S220 PolarHBondContact N-OG 2.59Å; S217-S220 VanDerWaalsContact N-OG 3.12Å; S217-S220 WeakPolarHBondContact O-CA 3.44Å; S217-S220 WeakPolarHBondContact O-CB 3.3Å; S217-S220 PolarHBondContact O-N 3.46Å; S217-S220 PolarHBondContact O-OG 2.98Å; T218-S220 VanDerWaalsContact C-N 3.33Å; T218-S220 PolarHBondContact O-N 3.45Å; S220-F222 VanDerWaalsContact C-N 3.3Å; S220-F222 PolarHBondContact O-N 3.45Å; S220-S223 PolarHBondContact O-N 3.47Å; S220-V224 WeakPolarHBondContact O-CG2 3.4Å; S220-V224 PolarHBondContact O-N 2.83Å
221	A	58.6	Low	59.4	Low	32 Å²	32	81.3 Å²	81.3	26%	0.264	51%	0.511	S	S	.	.	H	α-helix	trans	-63.2	-36.8	176.3	0	0	0	0	0	111.9	M91 L106 S217 T218 V219 L225	M91-A221 HydrophobicContact SD-CB 4.19Å; L106-A221 HydrophobicContact CD2-CB 3.96Å; S217-A221 PolarHBondContact O-N 3.37Å; T218-A221 PolarHBondContact O-N 3.28Å; V219-A221 PolarHBondContact O-N 3.03Å; A221-L225 WeakPolarHBondContact O-CG 3.45Å
222	F	55.8	Low	57	Low	146 Å²	146	77.2 Å²	77.2	64%	0.64	51%	0.505	S	S	*	.	H	α-helix	trans	-71.3	-33.1	175.6	-69.3	-73.5	0	0	0	113.1	T218 V219 S220 L225	T218-F222 WeakPolarHBondContact O-CD2 3.07Å; V219-F222 PolarHBondContact O-N 2.75Å; S220-F222 VanDerWaalsContact C-N 3.3Å; S220-F222 PolarHBondContact O-N 3.45Å; F222-L225 PolarHBondContact O-N 3.47Å
223	S	56.7	Low	55.3	Low	69 Å²	69	77.8 Å²	77.8	48%	0.483	51%	0.511	S	S	.	.	H	α-helix	trans	-69.6	-36.8	178.5	-169.7	0	0	0	0	112.9	V219 S220 L225 S226	V219-S223 PolarHBondContact O-N 3.2Å; S220-S223 PolarHBondContact O-N 3.47Å; S223-L225 VanDerWaalsContact C-N 3.28Å; S223-L225 PolarHBondContact O-N 3.42Å; S223-S226 PolarHBondContact O-N 2.91Å
224	V	56.8	Low	53.7	Low	17 Å²	17	81.5 Å²	81.5	10%	0.103	53%	0.527	C	S	.	.	H	α-helix	trans	-71.3	-24.8	178.9	178.4	0	0	0	0	111.8	L90 M91 Y95 S220 S226 S227	L90-V224 HydrophobicContact CB-CG1 4.38Å; L90-V224 HydrophobicContact CD2-CG1 3.73Å; L90-V224 HydrophobicContact CG-CG1 4.02Å; M91-V224 HydrophobicContact CB-CG2 4.21Å; Y95-V224 HydrophobicContact CE2-CG2 4.04Å; S220-V224 WeakPolarHBondContact O-CG2 3.4Å; S220-V224 PolarHBondContact O-N 2.83Å; V224-S226 VanDerWaalsContact C-N 3.3Å; V224-S227 PolarHBondContact O-OG 3.36Å
225	L	49.7	Very low	51.8	Low	128 Å²	128	83.1 Å²	83.1	67%	0.67	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-13	175	-68.1	169.3	0	0	0	113.5	A221 F222 S223	A221-L225 WeakPolarHBondContact O-CG 3.45Å; F222-L225 PolarHBondContact O-N 3.47Å; S223-L225 VanDerWaalsContact C-N 3.28Å; S223-L225 PolarHBondContact O-N 3.42Å
226	S	38.8	Very low	50.1	Low	102 Å²	102	85.7 Å²	85.7	71%	0.713	56%	0.556	S	S	*	*	S	Bend	trans	-105.7	-0.8	-174.7	-74.3	0	0	0	0	115.1	S223 V224 G228	S223-S226 PolarHBondContact O-N 2.91Å; V224-S226 VanDerWaalsContact C-N 3.3Å; S226-G228 VanDerWaalsContact C-N 3.34Å; S226-G228 PolarHBondContact O-N 3.29Å
227	S	34.7	Very low	48.5	Very low	95 Å²	95	91.3 Å²	91.3	66%	0.664	59%	0.592	S	S	*	*			trans	-83.8	71.4	177.7	24.3	0	0	0	0	112.5	V224	V224-S227 PolarHBondContact O-OG 3.36Å
228	G	36.2	Very low	46.9	Very low	56 Å²	56	94.8 Å²	94.8	58%	0.577	61%	0.614	S	S	*	*	S	Bend	trans	-112.6	161.8	160.2	0	0	0	0	0	111.3	S226 G230	S226-G228 VanDerWaalsContact C-N 3.34Å; S226-G228 PolarHBondContact O-N 3.29Å; G228-G230 PolarHBondContact O-N 3.09Å
229	P	35.2	Very low	46	Very low	136 Å²	136	98.1 Å²	98.1	88%	0.883	64%	0.636	S	S	*	*	S	Bend	trans	-61.6	136.1	-172.9	-15.7	28.3	0	0	0	111.9
230	G	36.1	Very low	45.3	Very low	77 Å²	77	98.7 Å²	98.7	79%	0.794	64%	0.642	S	S	*	*			trans	-49.7	132.7	-162.9	0	0	0	0	0	117.1	G228	G228-G230 PolarHBondContact O-N 3.09Å
231	L	32.7	Very low	44.2	Very low	161 Å²	161	104.2 Å²	104.2	84%	0.843	68%	0.678	S	S	*	*			trans	-118.1	145.2	153.4	-71.5	169.7	0	0	0	107.8
232	P	35.7	Very low	43.5	Very low	113 Å²	113	105.7 Å²	105.7	73%	0.734	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-62.8	153.5	-178.2	26.6	-32.9	0	0	0	111.1
233	P	38.8	Very low	42.9	Very low	117 Å²	117	105 Å²	105	76%	0.76	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-58.7	140.1	-174.9	23.8	-33.3	0	0	0	111.2
234	P	41.8	Very low	42.2	Very low	118 Å²	118	107.4 Å²	107.4	77%	0.766	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-63	143	174.3	26.5	-32.3	0	0	0	109.9
235	P	43.8	Very low	41.3	Very low	115 Å²	115	112.3 Å²	112.3	75%	0.747	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-62	151.4	178.6	25.3	-32.6	0	0	0	111.2
236	P	46.4	Very low	40.9	Very low	116 Å²	116	114.3 Å²	114.3	75%	0.753	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-58.2	143.4	-178.5	23.3	-32.7	0	0	0	111.3
237	P	47.1	Very low	40.5	Very low	117 Å²	117	119 Å²	119	76%	0.76	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-62.1	138.5	178.4	24.7	-31.8	0	0	0	110.4
238	P	47.4	Very low	40.4	Very low	113 Å²	113	123.4 Å²	123.4	73%	0.734	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-63.6	148.6	175.4	25.7	-31.8	0	0	0	110.6
239	P	46.7	Very low	40.1	Very low	116 Å²	116	127.9 Å²	127.9	75%	0.753	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-59	144.8	179.8	23.3	-32.1	0	0	0	111.2
240	P	48.5	Very low	39.9	Very low	118 Å²	118	130 Å²	130	77%	0.766	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-61.7	137.7	-175.5	22	-30.9	0	0	0	111.6
241	P	41	Very low	39.7	Very low	127 Å²	127	129.8 Å²	129.8	83%	0.825	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-61.6	137.9	171.3	-17.9	29.9	0	0	0	111
242	G	43.8	Very low	39.6	Very low	63 Å²	63	132.6 Å²	132.6	65%	0.649	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-62.5	161.2	176.8	0	0	0	0	0	113.4
243	P	43.8	Very low	39.4	Very low	131 Å²	131	136.5 Å²	136.5	85%	0.851	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-70	137.6	-172.9	27.4	-32.6	0	0	0	112
244	P	40.3	Very low	39	Very low	119 Å²	119	140.4 Å²	140.4	77%	0.773	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-76.9	161.9	174.2	29.1	-31	0	0	0	112.8
245	P	39.3	Very low	38.5	Very low	120 Å²	120	143.7 Å²	143.7	78%	0.779	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-77.2	150.4	-166.6	-8.4	25.9	0	0	0	113.8
246	L	40.3	Very low	38	Very low	170 Å²	170	144 Å²	144	89%	0.89	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-66.5	133	174.7	-66.9	163.9	0	0	0	112
247	F	30.5	Very low	37.5	Very low	202 Å²	202	143.3 Å²	143.3	89%	0.886	81%	0.814	S	S	*	*			trans	-134.1	128.6	154.5	-88.6	-84.7	0	0	0	109.8
248	E	33.2	Very low	37.2	Very low	187 Å²	187	143.4 Å²	143.4	87%	0.874	81%	0.814	S	S	*	*			trans	-71.8	139	172.8	-64.1	167.9	132.7	0	0	110.5
249	N	29.6	Very low	37.4	Very low	150 Å²	150	141.6 Å²	141.6	80%	0.802	81%	0.805	S	S	*	*				-169.1	158.9	115.1	-129.5	-12.4	0	0	0	114.6
250	E	32.3	Very low	37.3	Very low	181 Å²	181	146 Å²	146	85%	0.846	81%	0.806	S	S	*	*			trans	-57	147.3	-165.4	-64	178.2	90.4	0	0	119.8
251	G	31.2	Very low	37.2	Very low	71 Å²	71	145.4 Å²	145.4	73%	0.732	81%	0.805	S	S	*	*				100.9	94	118.4	0	0	0	0	0	119.7
252	K	30.1	Very low	37.6	Very low	220 Å²	220	142.2 Å²	142.2	96%	0.957	79%	0.789	S	S	*	*				-178.9	135.2	113.5	-101.5	175.3	-179.6	178	0	112
253	K	31.8	Very low	37.7	Very low	195 Å²	195	143.8 Å²	143.8	85%	0.848	78%	0.782	S	S	*	*			trans	-73.3	144.3	-180	-71.8	177.8	173.2	-177.6	0	112.1
254	E	29.6	Very low	37.8	Very low	199 Å²	199	144.9 Å²	144.9	93%	0.93	77%	0.773	S	S	*	*			trans	-147.3	132.9	134.5	-111.7	175	-165.9	0	0	109.4
255	E	32.2	Very low	38.5	Very low	188 Å²	188	142.2 Å²	142.2	88%	0.879	76%	0.761	S	S	*	*			trans	-80.8	139.2	-171.5	-75.1	175.9	147.9	0	0	112.4
256	S	33.8	Very low	39.1	Very low	122 Å²	122	142.5 Å²	142.5	85%	0.853	75%	0.752	S	S	*	*			trans	-139.3	136.4	153.1	70.9	0	0	0	0	109.8
257	S	36.2	Very low	39.6	Very low	100 Å²	100	140.7 Å²	140.7	70%	0.699	74%	0.743	S	S	*	*			trans	-58.1	145.7	-157.7	56.9	0	0	0	0	117.3	S259	S257-S259 PolarHBondContact O-N 3.17Å; S257-S259 VanDerWaalsContact O-N 3.1Å
258	P	40.5	Very low	40.4	Very low	119 Å²	119	138.1 Å²	138.1	77%	0.773	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.4	12.3	-176.4	32.5	-35.2	0	0	0	115.5
259	S	51.3	Low	41.3	Very low	76 Å²	76	134.5 Å²	134.5	53%	0.531	72%	0.722	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.8	-12.6	-162.2	-160.6	0	0	0	0	116	S257 L263	S257-S259 PolarHBondContact O-N 3.17Å; S257-S259 VanDerWaalsContact O-N 3.1Å; S259-L263 WeakPolarHBondContact O-CD1 3.11Å
260	R	44.3	Very low	42.7	Very low	209 Å²	209	130.1 Å²	130.1	79%	0.789	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.5	-29.8	-174.9	-74.4	-178.1	173.6	145.4	-2	114.4	F264	R260-F264 WeakPolarHBondContact O-CD2 3.46Å
261	S	47	Very low	43.7	Very low	105 Å²	105	130.8 Å²	130.8	73%	0.734	72%	0.715	S	S	*	*	H	α-helix	trans	-79.9	-23.9	177.2	-53.6	0	0	0	0	113.2	A265	S261-A265 PolarHBondContact O-N 3.05Å
262	A	49.1	Very low	44.7	Very low	59 Å²	59	129.8 Å²	129.8	49%	0.488	70%	0.7	S	S	.	*	H	α-helix	trans	-70.8	-33	173.7	0	0	0	0	0	112.6	Q266	A262-Q266 PolarHBondContact O-N 3.34Å
263	L	44.8	Very low	45.8	Very low	97 Å²	97	124.8 Å²	124.8	51%	0.508	68%	0.683	S	S	.	*	H	α-helix	trans	-69.5	-39.8	179.2	-85.9	162.1	0	0	0	112.4	S259 Q266 L267	S259-L263 WeakPolarHBondContact O-CD1 3.11Å; L263-Q266 PolarHBondContact O-N 2.95Å; L263-L267 PolarHBondContact O-N 3.38Å
264	F	47.4	Very low	46.7	Very low	153 Å²	153	120.4 Å²	120.4	67%	0.671	67%	0.672	S	S	*	*	H	α-helix	trans	-75.1	-26.8	178.5	-81	-79.3	0	0	0	113.5	R260 Q266	R260-F264 WeakPolarHBondContact O-CD2 3.46Å; F264-Q266 VanDerWaalsContact C-N 3.32Å
265	A	55	Low	48	Very low	63 Å²	63	120.1 Å²	120.1	52%	0.521	67%	0.668	S	S	.	*	H	α-helix	trans	-73.2	-23.9	172.6	0	0	0	0	0	113.1	S261	S261-A265 PolarHBondContact O-N 3.05Å
266	Q	51.6	Low	49.3	Very low	126 Å²	126	114.7 Å²	114.7	59%	0.589	66%	0.663	S	S	*	*	H	α-helix	trans	-80.9	-28.7	177.2	-120.8	169.2	-9.4	0	0	113	A262 L263 F264	A262-Q266 PolarHBondContact O-N 3.34Å; L263-Q266 PolarHBondContact O-N 2.95Å; F264-Q266 VanDerWaalsContact C-N 3.32Å
267	L	49.5	Very low	50.2	Low	132 Å²	132	115.2 Å²	115.2	69%	0.691	66%	0.655	S	S	*	*	H	α-helix	trans	-77.1	-18	-179.9	-89.7	149.8	0	0	0	114.1	L263	L263-L267 PolarHBondContact O-N 3.38Å
268	N	48.6	Very low	51	Low	149 Å²	149	121.5 Å²	121.5	80%	0.797	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.1	18	-178.2	-82.5	-20.4	0	0	0	114.8
269	Q	51.8	Low	51.8	Low	111 Å²	111	123.7 Å²	123.7	52%	0.519	66%	0.663	S	S	.	*			trans	-91.4	1.9	-174.2	-65.5	-171.1	7.5	0	0	116.1	A272	Q269-A272 PolarHBondContact O-N 2.72Å
270	G	58.5	Low	51.9	Low	58 Å²	58	123.3 Å²	123.3	60%	0.598	66%	0.657	S	S	*	*	G	3₁₀ helix	trans	50.7	-141.4	174.9	0	0	0	0	0	114.1	A272 I273	G270-A272 PolarHBondContact O-N 2.98Å; G270-I273 PolarHBondContact O-N 3.02Å
271	E	52.7	Low	52.9	Low	194 Å²	194	116.7 Å²	116.7	91%	0.907	64%	0.64	S	S	*	*	G	3₁₀ helix	trans	-60.5	-8.2	-174.2	-65	-177.5	165.8	0	0	115.5	I273	E271-I273 VanDerWaalsContact C-N 3.3Å; E271-I273 PolarHBondContact O-N 3.42Å
272	A	52.4	Low	53.5	Low	51 Å²	51	115.1 Å²	115.1	42%	0.421	62%	0.624	S	S	.	*	G	3₁₀ helix	trans	-77.5	-7.1	-179.9	0	0	0	0	0	114.8	Q269 G270 T274 K275	Q269-A272 PolarHBondContact O-N 2.72Å; G270-A272 PolarHBondContact O-N 2.98Å; A272-T274 PolarHBondContact O-N 2.93Å; A272-T274 VanDerWaalsContact O-N 3.12Å; A272-K275 PolarHBondContact O-N 3.18Å
273	I	53.7	Low	53.9	Low	115 Å²	115	117.1 Å²	117.1	59%	0.59	63%	0.626	S	S	*	*	G	3₁₀ helix	trans	-66.1	-15.4	-175.5	-129.9	164	0	0	0	113.9	G270 E271 K275	G270-I273 PolarHBondContact O-N 3.02Å; E271-I273 VanDerWaalsContact C-N 3.3Å; E271-I273 PolarHBondContact O-N 3.42Å; I273-K275 VanDerWaalsContact C-N 3.27Å; I273-K275 PolarHBondContact O-N 3.21Å
274	T	50.7	Low	54.6	Low	102 Å²	102	118.4 Å²	118.4	63%	0.626	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-74.3	-13.1	-179.7	56	0	0	0	0	114	A272 G276	A272-T274 PolarHBondContact O-N 2.93Å; A272-T274 VanDerWaalsContact O-N 3.12Å; T274-G276 VanDerWaalsContact C-N 3.34Å
275	K	57.5	Low	55.5	Low	193 Å²	193	113.5 Å²	113.5	84%	0.839	61%	0.608	S	S	*	*	G	3₁₀ helix	trans	-77.8	-14.4	178.7	-69	-176.8	178.9	178.1	0	114.3	A272 I273	A272-K275 PolarHBondContact O-N 3.18Å; I273-K275 VanDerWaalsContact C-N 3.27Å; I273-K275 PolarHBondContact O-N 3.21Å
276	G	58	Low	55.5	Low	75 Å²	75	115.9 Å²	115.9	77%	0.773	62%	0.616	S	S	*	*	G	3₁₀ helix	trans	-97.3	-6.4	-178.4	0	0	0	0	0	115.4	T274	T274-G276 VanDerWaalsContact C-N 3.34Å
277	L	52.8	Low	56	Low	132 Å²	132	118 Å²	118	69%	0.691	62%	0.62	S	S	*	*	S	Bend	trans	-85.5	129.9	-179.9	-73.1	163.1	0	0	0	110.2	H279	L277-H279 PolarHBondContact O-N 3.45Å; L277-H279 VanDerWaalsContact O-N 3.11Å
278	R	53.9	Low	56.5	Low	233 Å²	233	116.4 Å²	116.4	88%	0.879	61%	0.607	S	S	*	*	P	Polyproline II helix	trans	-59.2	116.5	179	-148.5	-178.5	-164.5	-146.4	4.8	109.2	V280	R278-V280 PolarHBondContact O-N 3.21Å
279	H	57.8	Low	56.7	Low	165 Å²	165	111.8 Å²	111.8	76%	0.764	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-70	120.2	179.9	-162.4	65.5	0	0	0	109.9	L277 T281	L277-H279 PolarHBondContact O-N 3.45Å; L277-H279 VanDerWaalsContact O-N 3.11Å; H279-T281 PolarHBondContact O-N 3.48Å
280	V	51.7	Low	57	Low	68 Å²	68	111.8 Å²	111.8	41%	0.412	59%	0.592	S	S	.	*			trans	-76.2	115.6	178.8	-179	0	0	0	0	108.3	R278 Q284 K285	R278-V280 PolarHBondContact O-N 3.21Å; V280-Q284 HydrophobicContact CG1-CB 3.58Å; V280-K285 HydrophobicContact CG1-CG 4.18Å; V280-K285 VanDerWaalsContact O-CE 3.25Å; V280-K285 WeakPolarHBondContact O-CE 3.49Å
281	T	66	Low	56.9	Low	69 Å²	69	113.1 Å²	113.1	42%	0.423	59%	0.593	S	S	.	*			trans	-66.9	153.7	177.5	62.5	0	0	0	0	110.4	H279 D283 Q284	H279-T281 PolarHBondContact O-N 3.48Å; T281-D283 WeakPolarHBondContact CB-OD2 3.47Å; T281-D283 PolarHBondContact O-N 3.49Å; T281-D283 PolarHBondContact OG1-OD2 2.81Å; T281-Q284 PolarHBondContact O-N 3.23Å
282	D	60.1	Low	56.9	Low	73 Å²	73	109.2 Å²	109.2	39%	0.39	58%	0.577	S	S	.	*	G	3₁₀ helix	trans	-59.1	-22.4	-173.4	-85	-16.8	0	0	0	113.4	Q284 K285 K288	D282-Q284 PolarHBondContact O-N 3.09Å; D282-K285 PolarHBondContact O-N 2.86Å; D282-K285 WeakPolarHBondContact OD1-CD 3.36Å; D282-K285 IonicContact OD1-NZ 2.79Å; D282-K285 PolarHBondContact OD1-NZ 2.62Å; D282-K288 HydrophobicContact CB-CD 3.89Å; D282-K288 IonicContact OD1-NZ 2.94Å; D282-K288 PolarHBondContact OD1-NZ 3.45Å; D282-K288 IonicContact OD2-NZ 2.69Å; D282-K288 PolarHBondContact OD2-NZ 2.83Å
283	D	58	Low	57	Low	101 Å²	101	117.9 Å²	117.9	54%	0.54	60%	0.599	S	S	.	*	G	3₁₀ helix	trans	-69.1	-21.8	178.3	-24.4	-64.8	0	0	0	112.8	T281 N289	T281-D283 WeakPolarHBondContact CB-OD2 3.47Å; T281-D283 PolarHBondContact O-N 3.49Å; T281-D283 PolarHBondContact OG1-OD2 2.81Å; D283-N289 PolarHBondContact O-ND2 2.89Å
284	Q	58.2	Low	56.7	Low	123 Å²	123	116.3 Å²	116.3	58%	0.575	60%	0.603	S	S	*	*	G	3₁₀ helix	trans	-98.4	-2.8	-179.7	-66.2	-176.7	-20.4	0	0	112.8	V280 T281 D282	V280-Q284 HydrophobicContact CG1-CB 3.58Å; T281-Q284 PolarHBondContact O-N 3.23Å; D282-Q284 PolarHBondContact O-N 3.09Å
285	K	66.4	Low	56.1	Low	51 Å²	51	121.2 Å²	121.2	22%	0.222	62%	0.619	C	S	.	*			trans	-88.7	112.8	177	-64.8	176.8	-168.2	161.6	0	109	V280 D282 Y287 K288 N289	V280-K285 HydrophobicContact CG1-CG 4.18Å; V280-K285 VanDerWaalsContact O-CE 3.25Å; V280-K285 WeakPolarHBondContact O-CE 3.49Å; D282-K285 PolarHBondContact O-N 2.86Å; D282-K285 WeakPolarHBondContact OD1-CD 3.36Å; D282-K285 IonicContact OD1-NZ 2.79Å; D282-K285 PolarHBondContact OD1-NZ 2.62Å; K285-Y287 HydrophobicContact CB-CD1 3.86Å; K285-Y287 HydrophobicContact CB-CE1 3.59Å; K285-Y287 HydrophobicContact CD-CE1 3.79Å; K285-Y287 HydrophobicContact CG-CE1 4.09Å; K285-Y287 PolarHBondContact O-N 3.13Å; K285-K288 HydrophobicContact CB-CB 4.5Å; K285-K288 PolarHBondContact O-N 2.8Å; K285-N289 PolarHBondContact O-N 3.05Å
286	T	55.3	Low	54.9	Low	113 Å²	113	115.9 Å²	115.9	69%	0.693	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.7	-16.2	-176.1	43.6	0	0	0	0	115.1
287	Y	62.3	Low	53.6	Low	169 Å²	169	116.1 Å²	116.1	66%	0.663	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.8	-12.1	173.8	76	-85.3	0	0	0	114.2	K285	K285-Y287 HydrophobicContact CB-CD1 3.86Å; K285-Y287 HydrophobicContact CB-CE1 3.59Å; K285-Y287 HydrophobicContact CD-CE1 3.79Å; K285-Y287 HydrophobicContact CG-CE1 4.09Å; K285-Y287 PolarHBondContact O-N 3.13Å
288	K	60	Low	52.7	Low	99 Å²	99	118.8 Å²	118.8	43%	0.43	63%	0.63	S	S	.	*	T	Hydrogen-bonded Turn	trans	-108.6	-17.1	178.8	-72.4	-170.1	172.9	179.7	0	113.9	D282 K285	D282-K288 HydrophobicContact CB-CD 3.89Å; D282-K288 IonicContact OD1-NZ 2.94Å; D282-K288 PolarHBondContact OD1-NZ 3.45Å; D282-K288 IonicContact OD2-NZ 2.69Å; D282-K288 PolarHBondContact OD2-NZ 2.83Å; K285-K288 HydrophobicContact CB-CB 4.5Å; K285-K288 PolarHBondContact O-N 2.8Å
289	N	52	Low	51.6	Low	53 Å²	53	113.7 Å²	113.7	28%	0.283	63%	0.625	S	S	.	*			trans	-124.3	89.8	-178.8	-147.9	-11.6	0	0	0	111.6	D283 K285 S291 L292	D283-N289 PolarHBondContact O-ND2 2.89Å; K285-N289 PolarHBondContact O-N 3.05Å; N289-S291 PolarHBondContact O-N 3.24Å; N289-S291 VanDerWaalsContact O-N 3.11Å; N289-S291 PolarHBondContact OD1-OG 3.05Å; N289-L292 HydrophobicContact CB-CD1 4.35Å; N289-L292 PolarHBondContact O-N 3.31Å
290	P	57.8	Low	50.4	Low	111 Å²	111	117.5 Å²	117.5	72%	0.721	63%	0.633	S	S	*	*	G	3₁₀ helix	trans	-63.6	-15.5	-173.2	-23.7	34.3	0	0	0	115.5	L292	P290-L292 VanDerWaalsContact C-N 3.32Å; P290-L292 PolarHBondContact O-N 3.4Å
291	S	56.4	Low	49.4	Very low	86 Å²	86	119.5 Å²	119.5	60%	0.601	65%	0.65	S	S	*	*	G	3₁₀ helix	trans	-72.5	-18.8	-179	52	0	0	0	0	114.1	N289 R293	N289-S291 PolarHBondContact O-N 3.24Å; N289-S291 VanDerWaalsContact O-N 3.11Å; N289-S291 PolarHBondContact OD1-OG 3.05Å; S291-R293 PolarHBondContact O-N 2.9Å
292	L	54	Low	48.6	Very low	111 Å²	111	121.4 Å²	121.4	58%	0.581	66%	0.663	S	S	*	*	G	3₁₀ helix	trans	-79.1	-0.3	178.5	-67.5	172.8	0	0	0	114	N289 P290	N289-L292 HydrophobicContact CB-CD1 4.35Å; N289-L292 PolarHBondContact O-N 3.31Å; P290-L292 VanDerWaalsContact C-N 3.32Å; P290-L292 PolarHBondContact O-N 3.4Å
293	R	54.1	Low	47.2	Very low	234 Å²	234	125.1 Å²	125.1	88%	0.883	69%	0.689	S	S	*	*	G	3₁₀ helix	trans	-100.8	0.3	-174	-150.9	175.6	-172.1	150.2	2	114.7	S291	S291-R293 PolarHBondContact O-N 2.9Å
294	A	46.9	Very low	46.4	Very low	82 Å²	82	129.7 Å²	129.7	68%	0.678	70%	0.704	S	S	*	*			trans	-128	90.6	-168.5	0	0	0	0	0	113.6
295	Q	37.9	Very low	45.1	Very low	205 Å²	205	129.5 Å²	129.5	96%	0.958	72%	0.716	S	S	*	*			trans	-142.3	113.5	142.9	-86.8	-163	-13.9	0	0	109.5
296	G	33.7	Very low	43.7	Very low	81 Å²	81	135.4 Å²	135.4	84%	0.835	74%	0.744	S	S	*	*	S	Bend	trans	146.9	79	171.4	0	0	0	0	0	114.8
297	G	31.1	Very low	42.8	Very low	80 Å²	80	136.4 Å²	136.4	83%	0.825	75%	0.75	S	S	*	*			trans	73.2	112.8	145	0	0	0	0	0	120.6
298	Q	33.7	Very low	41.8	Very low	187 Å²	187	133.9 Å²	133.9	87%	0.874	76%	0.755	S	S	*	*			trans	-55.9	147.3	163.8	-67.9	165.3	-20.2	0	0	111.3
299	T	30.5	Very low	40.7	Very low	126 Å²	126	134.2 Å²	134.2	77%	0.773	77%	0.769	S	S	*	*				-165.5	140.7	75.4	44.6	0	0	0	0	115.1
300	R	32.1	Very low	40.3	Very low	246 Å²	246	137.6 Å²	137.6	93%	0.928	79%	0.794	S	S	*	*			trans	57.6	119.1	143.9	-69.4	-176	161.7	-174.3	-5.2	122
301	S	31.5	Very low	39.4	Very low	110 Å²	110	138.6 Å²	138.6	77%	0.769	80%	0.799	S	S	*	*			trans	-90.7	-172.8	166.9	53.5	0	0	0	0	112
302	P	47.6	Very low	38.6	Very low	109 Å²	109	139.1 Å²	139.1	71%	0.708	80%	0.802	S	S	*	*			cis	-135.4	157.1	-37.5	30.1	-12	0	0	0	113.1
303	T	31.3	Very low	37.9	Very low	150 Å²	150	139.8 Å²	139.8	92%	0.92	81%	0.813	S	S	*	*			trans	-153.6	141	146.2	-24.8	0	0	0	0	112.8
304	K	41.8	Very low	37	Very low	197 Å²	197	138 Å²	138	86%	0.857	81%	0.811	S	S	*	*			trans	-74.6	145.6	-174	-59.9	170.9	175.6	177.6	0	113
305	S	31.2	Very low	36.5	Very low	119 Å²	119	139.4 Å²	139.4	83%	0.832	82%	0.816	S	S	*	*			trans	-170.8	159.4	137.6	51	0	0	0	0	111.4
306	H	36.3	Very low	36.4	Very low	175 Å²	175	138 Å²	138	81%	0.81	81%	0.81	S	S	*	*			trans	-90.1	167.5	-157.3	-70.2	-102.5	0	0	0	115.8
307	T	35.6	Very low	36.9	Very low	134 Å²	134	140 Å²	140	82%	0.822	81%	0.808	S	S	*	*			trans	84.8	165	155.1	75.4	0	0	0	0	119.5
308	P	41.8	Very low	37.8	Very low	117 Å²	117	140.5 Å²	140.5	76%	0.76	80%	0.799	S	S	*	*				-117	160.8	-82.3	31.3	-13.4	0	0	0	113.2
309	S	37.7	Very low	38.7	Very low	105 Å²	105	139.8 Å²	139.8	73%	0.734	80%	0.795	S	S	*	*			trans	-64.2	145.2	-179.8	45.9	0	0	0	0	115.4
310	P	43.2	Very low	40.3	Very low	124 Å²	124	142.4 Å²	142.4	81%	0.805	80%	0.796	S	S	*	*			trans	-104.5	118.6	144.9	17.1	1.1	0	0	0	110.2	S312	P310-S312 PolarHBondContact O-N 3.47Å; P310-S312 VanDerWaalsContact O-N 3.14Å
311	T	39.6	Very low	42.4	Very low	133 Å²	133	135.1 Å²	135.1	82%	0.816	77%	0.772	S	S	*	*			trans	-70.7	98.4	176.2	-34.7	0	0	0	0	109.6
312	S	38.2	Very low	45.1	Very low	96 Å²	96	133.5 Å²	133.5	67%	0.671	77%	0.766	S	S	*	*			trans	-74.4	125.2	162.7	55.7	0	0	0	0	108.7	P310 K314	P310-S312 PolarHBondContact O-N 3.47Å; P310-S312 VanDerWaalsContact O-N 3.14Å; S312-K314 PolarHBondContact O-N 3.16Å; S312-K314 VanDerWaalsContact O-N 3.15Å
313	P	39.6	Very low	47.3	Very low	125 Å²	125	132.2 Å²	132.2	81%	0.812	76%	0.757	S	S	*	*			trans	-63.7	119.3	175.7	26	-32	0	0	0	108.9	S315	P313-S315 PolarHBondContact O-N 2.92Å; P313-S315 VanDerWaalsContact O-N 3.13Å
314	K	36.3	Very low	50.4	Low	196 Å²	196	126.3 Å²	126.3	85%	0.852	72%	0.721	S	S	*	*			trans	-63.8	113.1	173	-71.9	178.6	178.8	177.2	0	107.9	S312 H316	S312-K314 PolarHBondContact O-N 3.16Å; S312-K314 VanDerWaalsContact O-N 3.15Å; K314-H316 PolarHBondContact O-N 3.36Å
315	S	35.7	Very low	53	Low	112 Å²	112	120.1 Å²	120.1	78%	0.783	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-54.1	129.1	168.6	51	0	0	0	0	109.6	P313	P313-S315 PolarHBondContact O-N 2.92Å; P313-S315 VanDerWaalsContact O-N 3.13Å
316	H	35.4	Very low	56.1	Low	176 Å²	176	119.5 Å²	119.5	82%	0.815	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-54.8	139.2	169.8	-73	-79.8	0	0	0	109.9	K314 S318	K314-H316 PolarHBondContact O-N 3.36Å; H316-S318 PolarHBondContact O-N 3.08Å
317	P	44.4	Very low	58.9	Low	124 Å²	124	114.4 Å²	114.4	81%	0.805	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-62.9	124.7	176	24.2	-30	0	0	0	109.5
318	S	51.5	Low	61.6	Low	89 Å²	89	113.2 Å²	113.2	62%	0.622	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-56.5	135.4	174.2	40.9	0	0	0	0	110.1	H316 K320	H316-S318 PolarHBondContact O-N 3.08Å; S318-K320 PolarHBondContact O-N 3.31Å; S318-K320 VanDerWaalsContact O-N 3.08Å
319	Q	51.3	Low	64.1	Low	172 Å²	172	111 Å²	111	80%	0.804	64%	0.642	S	S	*	*			trans	-57.7	114.1	168.1	-72.5	175.6	-27.1	0	0	108	H321	Q319-H321 PolarHBondContact O-CD2 3.24Å; Q319-H321 PolarHBondContact O-N 3.28Å; Q319-H321 VanDerWaalsContact O-N 3.12Å
320	K	63.8	Low	66.7	Low	182 Å²	182	110.8 Å²	110.8	79%	0.791	63%	0.628	S	S	*	*			trans	-74.8	101.7	-179.4	-70.2	-167.2	175.1	-159.2	0	109.5	S318	S318-K320 PolarHBondContact O-N 3.31Å; S318-K320 VanDerWaalsContact O-N 3.08Å
321	H	77.3	Confident	69.3	Low	93 Å²	93	108.9 Å²	108.9	43%	0.431	61%	0.607	S	S	.	*	P	Polyproline II helix	trans	-73.4	151.4	164.2	-68.1	-90.4	0	0	0	109.5	Q319 Y336	Q319-H321 PolarHBondContact O-CD2 3.24Å; Q319-H321 PolarHBondContact O-N 3.28Å; Q319-H321 VanDerWaalsContact O-N 3.12Å; H321-Y336 HydrophobicContact CB-CD1 3.5Å; H321-Y336 HydrophobicContact CB-CD2 3.73Å; H321-Y336 HydrophobicContact CB-CE1 3.74Å; H321-Y336 HydrophobicContact CB-CE2 4.02Å; H321-Y336 HydrophobicContact CB-CG 3.47Å; H321-Y336 VanDerWaalsContact CB-CG 3.47Å; H321-Y336 AromaticContact CD2-CD1 3.92Å; H321-Y336 AromaticContact CD2-CE1 3.5Å; H321-Y336 VanDerWaalsContact CD2-CE1 3.5Å; H321-Y336 WeakPolarHBondContact CD2-CE1 3.43Å; H321-Y336 AromaticContact CG-CD1 3.84Å; H321-Y336 AromaticContact CG-CE1 3.55Å; H321-Y336 AromaticContact CG-CZ 3.78Å
322	A	88.1	Confident	72	Confident	76 Å²	76	104.2 Å²	104.2	63%	0.628	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-71.3	137.5	175	0	0	0	0	0	109.9
323	P	94.1	Very high	74.9	Confident	81 Å²	81	102.3 Å²	102.3	53%	0.526	55%	0.553	S	S	.	*	P	Polyproline II helix	trans	-65.2	135.4	176.5	26.7	-33.5	0	0	0	110.3	E335	P323-E335 WeakPolarHBondContact CA-O 3.34Å
324	V	96.4	Very high	77.6	Confident	27 Å²	27	96.4 Å²	96.4	16%	0.164	51%	0.514	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	130.3	179.6	-177.8	0	0	0	0	108.8	E326 R333 V334 E335 Q337	V324-E326 HydrophobicContact CG1-CG 3.82Å; V324-R333 HydrophobicContact CG1-CB 4.1Å; V324-V334 CarbonylContact O-C 3.49Å; V324-V334 VanDerWaalsContact O-CA 3.31Å; V324-V334 WeakPolarHBondContact O-CA 3.22Å; V324-E335 HydrophobicContact CB-CB 4.06Å; V324-E335 HydrophobicContact CB-CG 4.42Å; V324-E335 HydrophobicContact CG2-CB 4.44Å; V324-E335 PolarHBondContact N-O 2.88Å; V324-E335 PolarHBondContact O-N 2.82Å; V324-Q337 PolarHBondContact O-NE2 3.31Å
325	L	96.3	Very high	80.6	Confident	67 Å²	67	87.8 Å²	87.8	35%	0.351	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	92.8	165.8	-170.3	153.5	0	0	0	107.3	W332 R333 V334 L343	L325-W332 HydrophobicContact CD2-CZ3 4.43Å; L325-R333 VanDerWaalsContact CA-O 3.25Å; L325-R333 WeakPolarHBondContact CA-O 3.32Å; L325-V334 HydrophobicContact CG-CG2 4.4Å; L325-L343 HydrophobicContact CD1-CB 4.09Å; L325-L343 HydrophobicContact CD1-CD2 3.85Å; L325-L343 HydrophobicContact CD1-CG 4.47Å
326	E	95.6	Very high	83.4	Confident	105 Å²	105	85.1 Å²	85.1	49%	0.491	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	159.3	-179.3	68.6	-173	177	0	0	112.1	V324 R333	V324-E326 HydrophobicContact CG1-CG 3.82Å; E326-R333 PolarHBondContact N-O 3.14Å; E326-R333 VanDerWaalsContact N-O 3.15Å; E326-R333 PolarHBondContact O-N 3.18Å
327	L	95.3	Very high	86.3	Confident	69 Å²	69	77.1 Å²	77.1	36%	0.361	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	108.9	173.7	178.5	61.5	0	0	0	109.4	W332 Q352	L327-W332 HydrophobicContact CB-CD2 4Å; L327-W332 HydrophobicContact CB-CE3 3.91Å; L327-W332 HydrophobicContact CB-CH2 3.86Å; L327-W332 HydrophobicContact CB-CZ2 3.93Å; L327-W332 HydrophobicContact CB-CZ3 3.85Å; L327-W332 HydrophobicContact CD1-CD2 4.02Å; L327-W332 HydrophobicContact CD1-CG 4.03Å; L327-W332 HydrophobicContact CD1-CZ2 4.49Å; L327-W332 HydrophobicContact CD2-CZ2 4.12Å; L327-W332 HydrophobicContact CG-CZ2 4.4Å; L327-Q352 HydrophobicContact CD1-CG 4.43Å
328	E	92.2	Very high	88.7	Confident	109 Å²	109	75.7 Å²	75.7	51%	0.509	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	98	173.6	-169.3	175.7	177	0	0	109.3	K330 K331 R333	E328-K330 PolarHBondContact O-N 3.15Å; E328-K331 PolarHBondContact N-O 3.1Å; E328-K331 PolarHBondContact O-N 2.87Å; E328-R333 WeakPolarHBondContact OE2-CD 3.37Å; E328-R333 IonicContact OE2-CZ 3.78Å; E328-R333 IonicContact OE2-NE 3.14Å; E328-R333 IonicContact OE2-NH1 3.4Å; E328-R333 PolarHBondContact OE2-NH1 3.26Å
329	G	93.4	Very high	90.8	Very high	69 Å²	69	76.1 Å²	76.1	71%	0.711	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.5	-97.1	-175	0	0	0	0	0	112.1
330	K	93.4	Very high	92.8	Very high	101 Å²	101	72.7 Å²	72.7	44%	0.439	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.5	0.9	175.4	-64.8	180	-176.1	175.6	0	112.9	E328 R351 Q352 V353	E328-K330 PolarHBondContact O-N 3.15Å; K330-R351 HydrophobicContact CD-CG 4.24Å; K330-Q352 CarbonylContact O-C 3.5Å; K330-Q352 WeakPolarHBondContact O-CA 3.37Å; K330-Q352 WeakPolarHBondContact O-CB 3.4Å; K330-V353 PolarHBondContact O-N 3.07Å
331	K	96.7	Very high	94.1	Very high	85 Å²	85	69.3 Å²	69.3	37%	0.37	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	114.5	-174.4	-174.1	-179.3	177.9	-176.1	0	108.9	E328 R333 V353 Y355	E328-K331 PolarHBondContact N-O 3.1Å; E328-K331 PolarHBondContact O-N 2.87Å; K331-R333 HydrophobicContact CD-CG 4.4Å; K331-R333 HydrophobicContact CG-CG 4.34Å; K331-R333 PolarHBondContact O-N 3.5Å; K331-V353 CarbonylContact C-O 3.55Å; K331-V353 VanDerWaalsContact CA-O 3.29Å; K331-V353 WeakPolarHBondContact CA-O 3.47Å; K331-Y355 VanDerWaalsContact CE-CG 3.41Å
332	W	98.1	Very high	94.8	Very high	34 Å²	34	69.7 Å²	69.7	13%	0.129	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	120.5	165.9	-77	103.1	0	0	0	108.5	L325 L327 I345 E347 V353 A354 Y355	L325-W332 HydrophobicContact CD2-CZ3 4.43Å; L327-W332 HydrophobicContact CB-CD2 4Å; L327-W332 HydrophobicContact CB-CE3 3.91Å; L327-W332 HydrophobicContact CB-CH2 3.86Å; L327-W332 HydrophobicContact CB-CZ2 3.93Å; L327-W332 HydrophobicContact CB-CZ3 3.85Å; L327-W332 HydrophobicContact CD1-CD2 4.02Å; L327-W332 HydrophobicContact CD1-CG 4.03Å; L327-W332 HydrophobicContact CD1-CZ2 4.49Å; L327-W332 HydrophobicContact CD2-CZ2 4.12Å; L327-W332 HydrophobicContact CG-CZ2 4.4Å; W332-I345 HydrophobicContact CB-CD1 3.9Å; W332-I345 HydrophobicContact CD2-CD1 3.99Å; W332-I345 HydrophobicContact CD2-CG1 4.32Å; W332-I345 HydrophobicContact CD2-CG2 3.74Å; W332-I345 VanDerWaalsContact CE2-CG2 3.45Å; W332-I345 HydrophobicContact CE3-CD1 4.1Å; W332-I345 HydrophobicContact CE3-CG1 4.19Å; W332-I345 HydrophobicContact CE3-CG2 4.21Å; W332-I345 HydrophobicContact CG-CD1 3.91Å; W332-I345 HydrophobicContact CG-CG2 4.19Å; W332-I345 HydrophobicContact CH2-CG2 4.19Å; W332-I345 HydrophobicContact CZ2-CG2 3.71Å; W332-I345 HydrophobicContact CZ3-CG2 4.41Å; W332-E347 WeakPolarHBondContact CZ2-O 3.38Å; W332-V353 PolarHBondContact N-O 3.38Å; W332-A354 HydrophobicContact CB-CB 4.25Å; W332-Y355 PolarHBondContact O-N 3.22Å
333	R	97.8	Very high	95.2	Very high	56 Å²	56	66.5 Å²	66.5	21%	0.211	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	115.7	175.5	-70.5	179.6	63.3	-150.9	-9.9	108.6	V324 L325 E326 E328 K331 E335	V324-R333 HydrophobicContact CG1-CB 4.1Å; L325-R333 VanDerWaalsContact CA-O 3.25Å; L325-R333 WeakPolarHBondContact CA-O 3.32Å; E326-R333 PolarHBondContact N-O 3.14Å; E326-R333 VanDerWaalsContact N-O 3.15Å; E326-R333 PolarHBondContact O-N 3.18Å; E328-R333 WeakPolarHBondContact OE2-CD 3.37Å; E328-R333 IonicContact OE2-CZ 3.78Å; E328-R333 IonicContact OE2-NE 3.14Å; E328-R333 IonicContact OE2-NH1 3.4Å; E328-R333 PolarHBondContact OE2-NH1 3.26Å; K331-R333 HydrophobicContact CD-CG 4.4Å; K331-R333 HydrophobicContact CG-CG 4.34Å; K331-R333 PolarHBondContact O-N 3.5Å; R333-E335 HydrophobicContact CB-CG 4.26Å; R333-E335 IonicContact CZ-OE1 3.87Å; R333-E335 IonicContact CZ-OE2 2.84Å; R333-E335 IonicContact NE-OE1 3.62Å; R333-E335 PolarHBondContact NE-OE1 3.05Å; R333-E335 IonicContact NE-OE2 2.82Å; R333-E335 VanDerWaalsContact NH2-CD 3.27Å; R333-E335 IonicContact NH2-OE1 2.79Å; R333-E335 PolarHBondContact NH2-OE1 3.29Å; R333-E335 IonicContact NH2-OE2 2.75Å; R333-E335 PolarHBondContact NH2-OE2 3.13Å
334	V	97.7	Very high	95.3	Very high	1 Å²	1	65.3 Å²	65.3	1%	0.006	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	95.4	173.8	-173.1	0	0	0	0	107	V324 L325 Q337 L343 I345 Y355 I356 F357 C359 L364	V324-V334 CarbonylContact O-C 3.49Å; V324-V334 VanDerWaalsContact O-CA 3.31Å; V324-V334 WeakPolarHBondContact O-CA 3.22Å; L325-V334 HydrophobicContact CG-CG2 4.4Å; V334-Q337 HydrophobicContact CG1-CG 3.86Å; V334-L343 HydrophobicContact CG1-CD1 4.29Å; V334-I345 HydrophobicContact CG2-CD1 3.93Å; V334-Y355 PolarHBondContact N-O 3.12Å; V334-I356 HydrophobicContact CB-CG1 4.24Å; V334-I356 HydrophobicContact CB-CG2 4.36Å; V334-I356 HydrophobicContact CG1-CG2 4.43Å; V334-I356 CarbonylContact O-C 3.56Å; V334-I356 VanDerWaalsContact O-CA 3.24Å; V334-I356 WeakPolarHBondContact O-CA 3.49Å; V334-F357 PolarHBondContact O-N 2.76Å; V334-C359 PolarHBondContact O-SG 3.35Å; V334-C359 VanDerWaalsContact O-SG 3.39Å; V334-L364 HydrophobicContact CB-CD2 4.34Å; V334-L364 HydrophobicContact CG1-CD2 4.26Å; V334-L364 HydrophobicContact CG2-CD1 4.37Å; V334-L364 HydrophobicContact CG2-CD2 3.96Å
335	E	97.4	Very high	95.3	Very high	15 Å²	15	64.1 Å²	64.1	7%	0.07	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	145.2	-168.8	-46.2	-176.6	173.3	0	0	111.9	P323 V324 R333 Q337 F357	P323-E335 WeakPolarHBondContact CA-O 3.34Å; V324-E335 HydrophobicContact CB-CB 4.06Å; V324-E335 HydrophobicContact CB-CG 4.42Å; V324-E335 HydrophobicContact CG2-CB 4.44Å; V324-E335 PolarHBondContact N-O 2.88Å; V324-E335 PolarHBondContact O-N 2.82Å; R333-E335 HydrophobicContact CB-CG 4.26Å; R333-E335 IonicContact CZ-OE1 3.87Å; R333-E335 IonicContact CZ-OE2 2.84Å; R333-E335 IonicContact NE-OE1 3.62Å; R333-E335 PolarHBondContact NE-OE1 3.05Å; R333-E335 IonicContact NE-OE2 2.82Å; R333-E335 VanDerWaalsContact NH2-CD 3.27Å; R333-E335 IonicContact NH2-OE1 2.79Å; R333-E335 PolarHBondContact NH2-OE1 3.29Å; R333-E335 IonicContact NH2-OE2 2.75Å; R333-E335 PolarHBondContact NH2-OE2 3.13Å; E335-Q337 PolarHBondContact O-N 3.11Å; E335-Q337 VanDerWaalsContact O-N 3.11Å; E335-F357 CarbonylContact C-O 3.54Å; E335-F357 WeakPolarHBondContact CA-O 3.38Å; E335-F357 HydrophobicContact CB-CB 4.44Å; E335-F357 HydrophobicContact CG-CB 4.09Å
336	Y	96.3	Very high	95.1	Very high	57 Å²	57	64.5 Å²	64.5	22%	0.224	33%	0.331	C	S	.	.	S	Bend	trans	55.2	31.1	171.4	-49.3	-78.6	0	0	0	114.5	H321 F357 K358	H321-Y336 HydrophobicContact CB-CD1 3.5Å; H321-Y336 HydrophobicContact CB-CD2 3.73Å; H321-Y336 HydrophobicContact CB-CE1 3.74Å; H321-Y336 HydrophobicContact CB-CE2 4.02Å; H321-Y336 HydrophobicContact CB-CG 3.47Å; H321-Y336 VanDerWaalsContact CB-CG 3.47Å; H321-Y336 AromaticContact CD2-CD1 3.92Å; H321-Y336 AromaticContact CD2-CE1 3.5Å; H321-Y336 VanDerWaalsContact CD2-CE1 3.5Å; H321-Y336 WeakPolarHBondContact CD2-CE1 3.43Å; H321-Y336 AromaticContact CG-CD1 3.84Å; H321-Y336 AromaticContact CG-CE1 3.55Å; H321-Y336 AromaticContact CG-CZ 3.78Å; Y336-F357 HydrophobicContact CE1-CD1 4.45Å; Y336-F357 HydrophobicContact CE1-CE1 4.21Å; Y336-F357 HydrophobicContact CE2-CD1 4.4Å; Y336-F357 AromaticContact CZ-CE1 3.88Å; Y336-F357 PolarHBondContact N-O 3.17Å; Y336-F357 WeakPolarHBondContact OH-CE1 3.35Å; Y336-K358 WeakPolarHBondContact CA-O 3.24Å; Y336-K358 HydrophobicContact CD1-CB 3.78Å; Y336-K358 HydrophobicContact CD1-CD 4.02Å; Y336-K358 HydrophobicContact CE1-CB 3.97Å; Y336-K358 HydrophobicContact CE1-CD 3.46Å; Y336-K358 VanDerWaalsContact CE1-CD 3.46Å; Y336-K358 HydrophobicContact CE1-CG 4.33Å
337	Q	95.3	Very high	94.8	Very high	7 Å²	7	67.5 Å²	67.5	3%	0.033	35%	0.345	C	S	.	.			trans	-75.9	133.7	173.7	-57	-67.6	-19.8	0	0	109.3	V324 V334 E335 L343 C359 E360	V324-Q337 PolarHBondContact O-NE2 3.31Å; V334-Q337 HydrophobicContact CG1-CG 3.86Å; E335-Q337 PolarHBondContact O-N 3.11Å; E335-Q337 VanDerWaalsContact O-N 3.11Å; Q337-L343 HydrophobicContact CB-CD1 3.9Å; Q337-L343 HydrophobicContact CG-CD1 3.66Å; Q337-L343 HydrophobicContact CG-CD2 4.48Å; Q337-C359 HydrophobicContact CB-CB 4.18Å; Q337-C359 CarbonylContact O-C 3.15Å; Q337-C359 VanDerWaalsContact O-CA 3.28Å; Q337-C359 WeakPolarHBondContact O-CA 3.46Å; Q337-E360 PolarHBondContact O-N 3.38Å
338	E	95.4	Very high	94.7	Very high	95 Å²	95	65.6 Å²	65.6	44%	0.444	34%	0.336	S	S	.	.	B	Isolated β-bridge	trans	-133.4	127.7	179.6	-171.1	179	-169.5	0	0	108.9	R340 E360	E338-R340 VanDerWaalsContact C-N 3.3Å; E338-R340 PolarHBondContact O-N 3.41Å; E338-E360 WeakPolarHBondContact CA-O 3.43Å
339	D	95.4	Very high	94.7	Very high	98 Å²	98	64.3 Å²	64.3	52%	0.524	33%	0.33	S	S	.	.	S	Bend	trans	55.8	37.7	178.9	-63.8	-44.6	0	0	0	113.9	E360 K361	D339-E360 PolarHBondContact N-O 3.26Å; D339-E360 VanDerWaalsContact N-O 3.09Å; D339-K361 VanDerWaalsContact CA-O 3.28Å; D339-K361 WeakPolarHBondContact CA-O 3.3Å; D339-K361 WeakPolarHBondContact OD1-CB 3.39Å; D339-K361 WeakPolarHBondContact OD1-CD 3.3Å
340	R	93.1	Very high	94.5	Very high	100 Å²	100	66.1 Å²	66.1	38%	0.377	32%	0.323	S	S	.	.			trans	-114.7	111.1	-178.9	-68.4	-59.7	-61.4	-88.2	3.3	112.5	E338 D342 L343 S362 T363	E338-R340 VanDerWaalsContact C-N 3.3Å; E338-R340 PolarHBondContact O-N 3.41Å; R340-D342 IonicContact CZ-OD1 3.76Å; R340-D342 IonicContact CZ-OD2 3.58Å; R340-D342 IonicContact NE-OD1 3.5Å; R340-D342 PolarHBondContact NE-OD1 2.86Å; R340-D342 IonicContact NE-OD2 3.67Å; R340-D342 IonicContact NH2-OD1 3.88Å; R340-D342 PolarHBondContact NH2-OD1 3.23Å; R340-D342 VanDerWaalsContact NH2-OD1 3.14Å; R340-D342 IonicContact NH2-OD2 2.69Å; R340-D342 PolarHBondContact NH2-OD2 3.07Å; R340-L343 HydrophobicContact CB-CD1 4.07Å; R340-L343 HydrophobicContact CB-CD2 3.95Å; R340-L343 HydrophobicContact CB-CG 3.91Å; R340-L343 HydrophobicContact CG-CD2 4.46Å; R340-S362 PolarHBondContact N-OG 3.46Å; R340-S362 VanDerWaalsContact N-OG 3.17Å; R340-S362 CarbonylContact O-C 3.44Å; R340-S362 WeakPolarHBondContact O-CA 3.31Å; R340-S362 WeakPolarHBondContact O-CB 3.48Å; R340-S362 PolarHBondContact O-OG 3.13Å; R340-T363 PolarHBondContact O-N 3.42Å
341	N	91.4	Very high	94.5	Very high	110 Å²	110	68.4 Å²	68.4	59%	0.588	33%	0.329	S	S	*	.			trans	-107.3	7.9	-177.5	-61.8	-52.5	0	0	0	114.3	T363	N341-T363 PolarHBondContact OD1-N 2.89Å; N341-T363 PolarHBondContact OD1-OG1 2.93Å; N341-T363 VanDerWaalsContact OD1-OG1 3.1Å
342	D	91.4	Very high	94.5	Very high	101 Å²	101	64.7 Å²	64.7	54%	0.54	31%	0.313	S	S	.	.			trans	-116.4	15.2	-173.1	64	-45.6	0	0	0	112.8	R340 V344	R340-D342 IonicContact CZ-OD1 3.76Å; R340-D342 IonicContact CZ-OD2 3.58Å; R340-D342 IonicContact NE-OD1 3.5Å; R340-D342 PolarHBondContact NE-OD1 2.86Å; R340-D342 IonicContact NE-OD2 3.67Å; R340-D342 IonicContact NH2-OD1 3.88Å; R340-D342 PolarHBondContact NH2-OD1 3.23Å; R340-D342 VanDerWaalsContact NH2-OD1 3.14Å; R340-D342 IonicContact NH2-OD2 2.69Å; R340-D342 PolarHBondContact NH2-OD2 3.07Å; D342-V344 PolarHBondContact O-N 3.37Å
343	L	95.7	Very high	94.4	Very high	9 Å²	9	64.7 Å²	64.7	5%	0.047	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	125	-176.5	-53.1	171.5	0	0	0	110	L325 V334 Q337 R340 T363 L364 Q365	L325-L343 HydrophobicContact CD1-CB 4.09Å; L325-L343 HydrophobicContact CD1-CD2 3.85Å; L325-L343 HydrophobicContact CD1-CG 4.47Å; V334-L343 HydrophobicContact CG1-CD1 4.29Å; Q337-L343 HydrophobicContact CB-CD1 3.9Å; Q337-L343 HydrophobicContact CG-CD1 3.66Å; Q337-L343 HydrophobicContact CG-CD2 4.48Å; R340-L343 HydrophobicContact CB-CD1 4.07Å; R340-L343 HydrophobicContact CB-CD2 3.95Å; R340-L343 HydrophobicContact CB-CG 3.91Å; R340-L343 HydrophobicContact CG-CD2 4.46Å; L343-T363 WeakPolarHBondContact CB-O 3.36Å; L343-T363 PolarHBondContact N-O 3.35Å; L343-L364 HydrophobicContact CB-CB 4.42Å; L343-L364 HydrophobicContact CB-CD1 3.65Å; L343-L364 WeakPolarHBondContact O-CA 3.44Å; L343-Q365 PolarHBondContact O-N 3.12Å
344	V	97.3	Very high	94.4	Very high	57 Å²	57	62 Å²	62	35%	0.345	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	129.1	-179.4	-172.3	0	0	0	0	110.9	D342 S346 Q365 K367	D342-V344 PolarHBondContact O-N 3.37Å; V344-S346 WeakPolarHBondContact CG1-OG 3.36Å; V344-Q365 CarbonylContact C-O 3.54Å; V344-Q365 WeakPolarHBondContact CA-O 3.33Å; V344-Q365 HydrophobicContact CG1-CB 4.43Å; V344-Q365 HydrophobicContact CG2-CB 4.33Å; V344-K367 HydrophobicContact CG1-CD 4.35Å
345	I	96.5	Very high	94.5	Very high	2 Å²	2	63.9 Å²	63.9	1%	0.01	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	105.4	166.2	-60.3	172.2	0	0	0	107.1	W332 V334 T348 L364 Q365 I366 K367	W332-I345 HydrophobicContact CB-CD1 3.9Å; W332-I345 HydrophobicContact CD2-CD1 3.99Å; W332-I345 HydrophobicContact CD2-CG1 4.32Å; W332-I345 HydrophobicContact CD2-CG2 3.74Å; W332-I345 VanDerWaalsContact CE2-CG2 3.45Å; W332-I345 HydrophobicContact CE3-CD1 4.1Å; W332-I345 HydrophobicContact CE3-CG1 4.19Å; W332-I345 HydrophobicContact CE3-CG2 4.21Å; W332-I345 HydrophobicContact CG-CD1 3.91Å; W332-I345 HydrophobicContact CG-CG2 4.19Å; W332-I345 HydrophobicContact CH2-CG2 4.19Å; W332-I345 HydrophobicContact CZ2-CG2 3.71Å; W332-I345 HydrophobicContact CZ3-CG2 4.41Å; V334-I345 HydrophobicContact CG2-CD1 3.93Å; I345-T348 HydrophobicContact CG2-CG2 3.63Å; I345-L364 HydrophobicContact CD1-CD1 4.26Å; I345-L364 HydrophobicContact CG1-CD1 4.21Å; I345-Q365 PolarHBondContact N-O 3.03Å; I345-I366 HydrophobicContact CD1-CD1 4.32Å; I345-I366 HydrophobicContact CD1-CG1 4.22Å; I345-K367 PolarHBondContact O-N 3.31Å
346	S	92.8	Very high	94.5	Very high	75 Å²	75	63.2 Å²	63.2	52%	0.524	31%	0.311	S	S	.	.			trans	-94.8	-31.9	-175.2	-61.2	0	0	0	0	113.8	V344	V344-S346 WeakPolarHBondContact CG1-OG 3.36Å
347	E	87.6	Confident	94.6	Very high	167 Å²	167	62.3 Å²	62.3	78%	0.78	31%	0.308	S	S	*	.			trans	-103.9	85.5	-175	-65.8	179.4	-167	0	0	110.4	W332	W332-E347 WeakPolarHBondContact CZ2-O 3.38Å
348	T	92.9	Very high	94.7	Very high	29 Å²	29	66.2 Å²	66.2	18%	0.178	33%	0.325	C	S	.	.			trans	-105.3	148.3	179.7	60.8	0	0	0	0	113.1	I345 I366 K367 G368 K369 V370	I345-T348 HydrophobicContact CG2-CG2 3.63Å; T348-I366 HydrophobicContact CG2-CG2 3.82Å; T348-K367 WeakPolarHBondContact CB-O 3.4Å; T348-K367 WeakPolarHBondContact CG2-O 3.26Å; T348-K367 PolarHBondContact OG1-O 3.47Å; T348-G368 WeakPolarHBondContact OG1-CA 3.17Å; T348-K369 PolarHBondContact OG1-N 2.99Å; T348-V370 HydrophobicContact CG2-CG1 3.64Å
349	E	92.5	Very high	94.8	Very high	82 Å²	82	61.8 Å²	61.8	38%	0.383	30%	0.304	S	S	.	.			trans	-120.5	148.3	170.8	-59.1	179.7	165.5	0	0	111.1	R351 Q352 K369	E349-R351 HydrophobicContact CB-CG 4.37Å; E349-R351 PolarHBondContact O-N 3.46Å; E349-R351 IonicContact OE1-NH2 3.47Å; E349-R351 PolarHBondContact OE1-NH2 3.44Å; E349-R351 IonicContact OE2-CZ 3.57Å; E349-R351 IonicContact OE2-NE 3.5Å; E349-R351 PolarHBondContact OE2-NE 2.91Å; E349-R351 IonicContact OE2-NH2 3.43Å; E349-R351 PolarHBondContact OE2-NH2 3.15Å; E349-Q352 HydrophobicContact CB-CG 3.98Å; E349-Q352 WeakPolarHBondContact O-CB 3.47Å; E349-Q352 PolarHBondContact O-N 3.33Å; E349-K369 CarbonylContact C-O 3.6Å
350	L	90.6	Very high	94.9	Very high	108 Å²	108	60.7 Å²	60.7	57%	0.565	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	-28.1	-179.8	-83.6	155.3	0	0	0	115.5	K369 N371 V389	L350-K369 WeakPolarHBondContact CA-O 3.31Å; L350-K369 HydrophobicContact CD2-CB 4.45Å; L350-K369 HydrophobicContact CD2-CD 3.62Å; L350-K369 HydrophobicContact CD2-CG 3.72Å; L350-K369 HydrophobicContact CG-CG 4.48Å; L350-K369 PolarHBondContact N-O 3.05Å; L350-N371 WeakPolarHBondContact O-CA 3.25Å; L350-N371 WeakPolarHBondContact O-CB 3.27Å; L350-N371 PolarHBondContact O-N 2.94Å; L350-V389 HydrophobicContact CD2-CG2 3.64Å
351	R	92.4	Very high	95.1	Very high	148 Å²	148	60 Å²	60	56%	0.558	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-4.7	-176.7	65.5	-172.9	174.6	-168.7	-6.1	113.6	K330 E349	K330-R351 HydrophobicContact CD-CG 4.24Å; E349-R351 HydrophobicContact CB-CG 4.37Å; E349-R351 PolarHBondContact O-N 3.46Å; E349-R351 IonicContact OE1-NH2 3.47Å; E349-R351 PolarHBondContact OE1-NH2 3.44Å; E349-R351 IonicContact OE2-CZ 3.57Å; E349-R351 IonicContact OE2-NE 3.5Å; E349-R351 PolarHBondContact OE2-NE 2.91Å; E349-R351 IonicContact OE2-NH2 3.43Å; E349-R351 PolarHBondContact OE2-NH2 3.15Å
352	Q	96.2	Very high	95.3	Very high	8 Å²	8	54.8 Å²	54.8	4%	0.037	27%	0.268	C	S	.	.			trans	-83.4	152.7	-177.8	-70.2	170.7	-7.9	0	0	111	L327 K330 E349 N371	L327-Q352 HydrophobicContact CD1-CG 4.43Å; K330-Q352 CarbonylContact O-C 3.5Å; K330-Q352 WeakPolarHBondContact O-CA 3.37Å; K330-Q352 WeakPolarHBondContact O-CB 3.4Å; E349-Q352 HydrophobicContact CB-CG 3.98Å; E349-Q352 WeakPolarHBondContact O-CB 3.47Å; E349-Q352 PolarHBondContact O-N 3.33Å; Q352-N371 VanDerWaalsContact O-CB 3.28Å; Q352-N371 WeakPolarHBondContact O-CB 3.36Å; Q352-N371 PolarHBondContact O-N 2.98Å
353	V	97.3	Very high	95.6	Very high	34 Å²	34	52.3 Å²	52.3	21%	0.206	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	136.6	177.1	175.6	0	0	0	0	108.2	K330 K331 W332 N371 S372 I374	K330-V353 PolarHBondContact O-N 3.07Å; K331-V353 CarbonylContact C-O 3.55Å; K331-V353 VanDerWaalsContact CA-O 3.29Å; K331-V353 WeakPolarHBondContact CA-O 3.47Å; W332-V353 PolarHBondContact N-O 3.38Å; V353-N371 HydrophobicContact CG2-CB 4.23Å; V353-S372 WeakPolarHBondContact CA-O 3.49Å; V353-S372 WeakPolarHBondContact CG1-OG 3.22Å; V353-S372 WeakPolarHBondContact CG2-OG 3.47Å; V353-I374 HydrophobicContact CG1-CD1 4.48Å
354	A	98.3	Very high	95.8	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	129.2	172.5	0	0	0	0	0	110.6	W332 I366 S372 I373 I374	W332-A354 HydrophobicContact CB-CB 4.25Å; A354-I366 HydrophobicContact CB-CD1 3.64Å; A354-S372 PolarHBondContact N-O 3Å; A354-I373 HydrophobicContact CB-CG1 4.22Å; A354-I373 HydrophobicContact CB-CG2 4.23Å; A354-I373 CarbonylContact O-C 3.53Å; A354-I373 WeakPolarHBondContact O-CA 3.49Å; A354-I374 PolarHBondContact O-N 3.45Å
355	Y	98.5	Very high	95.8	Very high	40 Å²	40	52.4 Å²	52.4	16%	0.157	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	114.9	175.2	-175.4	-110.6	0	0	0	108.9	K331 W332 V334 F357 I374 D376	K331-Y355 VanDerWaalsContact CE-CG 3.41Å; W332-Y355 PolarHBondContact O-N 3.22Å; V334-Y355 PolarHBondContact N-O 3.12Å; Y355-F357 HydrophobicContact CD1-CB 4.17Å; Y355-F357 HydrophobicContact CE1-CB 3.64Å; Y355-F357 HydrophobicContact CE1-CD2 4.38Å; Y355-F357 HydrophobicContact CE1-CG 4.1Å; Y355-F357 WeakPolarHBondContact OH-CD2 3.3Å; Y355-I374 WeakPolarHBondContact CA-O 3.26Å; Y355-I374 HydrophobicContact CD2-CB 3.83Å; Y355-I374 HydrophobicContact CD2-CD1 4.41Å; Y355-I374 HydrophobicContact CD2-CG2 3.7Å; Y355-I374 HydrophobicContact CE2-CB 4.39Å; Y355-I374 HydrophobicContact CE2-CG2 3.74Å; Y355-D376 HydrophobicContact CE2-CB 4.01Å; Y355-D376 PolarHBondContact OH-OD2 3.01Å
356	I	98.6	Very high	95.9	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	111.4	-173.7	-52.7	155.3	0	0	0	106.8	V334 C359 L364 I373 I374 I375 D376 C378 L381 L383	V334-I356 HydrophobicContact CB-CG1 4.24Å; V334-I356 HydrophobicContact CB-CG2 4.36Å; V334-I356 HydrophobicContact CG1-CG2 4.43Å; V334-I356 CarbonylContact O-C 3.56Å; V334-I356 VanDerWaalsContact O-CA 3.24Å; V334-I356 WeakPolarHBondContact O-CA 3.49Å; I356-C359 HydrophobicContact CG2-CB 4.22Å; I356-L364 HydrophobicContact CD1-CD2 3.57Å; I356-L364 HydrophobicContact CG1-CD2 3.67Å; I356-I373 HydrophobicContact CD1-CG2 3.7Å; I356-I374 PolarHBondContact N-O 2.8Å; I356-I375 HydrophobicContact CB-CG1 4.36Å; I356-I375 HydrophobicContact CD1-CG1 3.77Å; I356-I375 CarbonylContact O-C 3.57Å; I356-I375 WeakPolarHBondContact O-CA 3.46Å; I356-D376 PolarHBondContact O-N 2.75Å; I356-C378 PolarHBondContact O-SG 3.39Å; I356-L381 HydrophobicContact CG2-CD1 4.38Å; I356-L381 HydrophobicContact CG2-CD2 3.73Å; I356-L383 HydrophobicContact CD1-CD1 4.05Å; I356-L383 HydrophobicContact CD1-CD2 4.42Å
357	F	98.2	Very high	96.1	Very high	38 Å²	38	52.9 Å²	52.9	17%	0.167	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	132.6	-169.7	-179.1	-113.8	0	0	0	112.2	V334 E335 Y336 Y355 C359 D376 N377	V334-F357 PolarHBondContact O-N 2.76Å; E335-F357 CarbonylContact C-O 3.54Å; E335-F357 WeakPolarHBondContact CA-O 3.38Å; E335-F357 HydrophobicContact CB-CB 4.44Å; E335-F357 HydrophobicContact CG-CB 4.09Å; Y336-F357 HydrophobicContact CE1-CD1 4.45Å; Y336-F357 HydrophobicContact CE1-CE1 4.21Å; Y336-F357 HydrophobicContact CE2-CD1 4.4Å; Y336-F357 AromaticContact CZ-CE1 3.88Å; Y336-F357 PolarHBondContact N-O 3.17Å; Y336-F357 WeakPolarHBondContact OH-CE1 3.35Å; Y355-F357 HydrophobicContact CD1-CB 4.17Å; Y355-F357 HydrophobicContact CE1-CB 3.64Å; Y355-F357 HydrophobicContact CE1-CD2 4.38Å; Y355-F357 HydrophobicContact CE1-CG 4.1Å; Y355-F357 WeakPolarHBondContact OH-CD2 3.3Å; F357-C359 PolarHBondContact O-N 3.09Å; F357-D376 VanDerWaalsContact CA-O 3.32Å; F357-D376 WeakPolarHBondContact CA-O 3.43Å; F357-D376 HydrophobicContact CD2-CB 4.02Å; F357-D376 WeakPolarHBondContact CD2-O 3.49Å; F357-N377 HydrophobicContact CD2-CB 4.3Å; F357-N377 HydrophobicContact CE2-CB 3.93Å
358	K	96.9	Very high	96.5	Very high	90 Å²	90	46.5 Å²	46.5	39%	0.391	23%	0.225	S	C	.	.	S	Bend	trans	51.2	35.5	174.8	-80.1	-172.4	173.1	-177.2	0	114.3	Y336 D376 N377	Y336-K358 WeakPolarHBondContact CA-O 3.24Å; Y336-K358 HydrophobicContact CD1-CB 3.78Å; Y336-K358 HydrophobicContact CD1-CD 4.02Å; Y336-K358 HydrophobicContact CE1-CB 3.97Å; Y336-K358 HydrophobicContact CE1-CD 3.46Å; Y336-K358 VanDerWaalsContact CE1-CD 3.46Å; Y336-K358 HydrophobicContact CE1-CG 4.33Å; K358-D376 PolarHBondContact N-O 2.9Å; K358-N377 VanDerWaalsContact CA-O 3.32Å; K358-N377 WeakPolarHBondContact CA-O 3.41Å; K358-N377 HydrophobicContact CG-CB 4.2Å; K358-N377 WeakPolarHBondContact CG-ND2 3.45Å
359	C	96.8	Very high	96.7	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.007	24%	0.236	C	C	.	.			trans	-86.6	136.6	172.5	-64.4	0	0	0	0	109.8	V334 Q337 I356 F357 C378 K379 L381	V334-C359 PolarHBondContact O-SG 3.35Å; V334-C359 VanDerWaalsContact O-SG 3.39Å; Q337-C359 HydrophobicContact CB-CB 4.18Å; Q337-C359 CarbonylContact O-C 3.15Å; Q337-C359 VanDerWaalsContact O-CA 3.28Å; Q337-C359 WeakPolarHBondContact O-CA 3.46Å; I356-C359 HydrophobicContact CG2-CB 4.22Å; F357-C359 PolarHBondContact O-N 3.09Å; C359-C378 PolarHBondContact N-SG 3.13Å; C359-C378 VanDerWaalsContact N-SG 3.36Å; C359-C378 CarbonylContact O-C 3.52Å; C359-C378 VanDerWaalsContact O-CA 3.27Å; C359-C378 WeakPolarHBondContact O-CA 3.45Å; C359-C378 WeakPolarHBondContact O-CB 3.42Å; C359-K379 PolarHBondContact O-N 3.44Å; C359-L381 HydrophobicContact CB-CD1 3.91Å
360	E	97.4	Very high	96.9	Very high	75 Å²	75	45.8 Å²	45.8	35%	0.35	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	134.2	-179	-174.1	165.1	172.1	0	0	111.2	Q337 E338 D339 S362 K379	Q337-E360 PolarHBondContact O-N 3.38Å; E338-E360 WeakPolarHBondContact CA-O 3.43Å; D339-E360 PolarHBondContact N-O 3.26Å; D339-E360 VanDerWaalsContact N-O 3.09Å; E360-S362 VanDerWaalsContact C-N 3.25Å; E360-S362 PolarHBondContact O-N 2.92Å; E360-S362 PolarHBondContact O-OG 3.14Å; E360-K379 CarbonylContact C-O 3.59Å; E360-K379 WeakPolarHBondContact CA-O 3.5Å; E360-K379 HydrophobicContact CG-CB 4.22Å
361	K	97.1	Very high	97.3	Very high	86 Å²	86	43.8 Å²	43.8	37%	0.374	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	48.7	46.6	176	-62.9	167.2	-169.5	163.3	0	113	D339 K379 K380	D339-K361 VanDerWaalsContact CA-O 3.28Å; D339-K361 WeakPolarHBondContact CA-O 3.3Å; D339-K361 WeakPolarHBondContact OD1-CB 3.39Å; D339-K361 WeakPolarHBondContact OD1-CD 3.3Å; K361-K379 PolarHBondContact N-O 2.8Å; K361-K380 CarbonylContact C-O 3.39Å; K361-K380 WeakPolarHBondContact CA-O 3.44Å; K361-K380 HydrophobicContact CG-CB 4.02Å; K361-K380 HydrophobicContact CG-CD 4.04Å; K361-K380 HydrophobicContact CG-CG 4.42Å; K361-K380 PolarHBondContact N-O 2.94Å
362	S	97.4	Very high	97.5	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.007	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	157.2	-170.9	-65.9	0	0	0	0	110.9	R340 E360 K380 L381 G382	R340-S362 PolarHBondContact N-OG 3.46Å; R340-S362 VanDerWaalsContact N-OG 3.17Å; R340-S362 CarbonylContact O-C 3.44Å; R340-S362 WeakPolarHBondContact O-CA 3.31Å; R340-S362 WeakPolarHBondContact O-CB 3.48Å; R340-S362 PolarHBondContact O-OG 3.13Å; E360-S362 VanDerWaalsContact C-N 3.25Å; E360-S362 PolarHBondContact O-N 2.92Å; E360-S362 PolarHBondContact O-OG 3.14Å; S362-K380 PolarHBondContact N-O 3.29Å; S362-L381 WeakPolarHBondContact O-CA 3.06Å; S362-G382 PolarHBondContact O-N 3.45Å
363	T	97.6	Very high	97.6	Very high	49 Å²	49	37.1 Å²	37.1	30%	0.301	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	128.2	175.7	-53.5	0	0	0	0	109.3	R340 N341 L343 G382	R340-T363 PolarHBondContact O-N 3.42Å; N341-T363 PolarHBondContact OD1-N 2.89Å; N341-T363 PolarHBondContact OD1-OG1 2.93Å; N341-T363 VanDerWaalsContact OD1-OG1 3.1Å; L343-T363 WeakPolarHBondContact CB-O 3.36Å; L343-T363 PolarHBondContact N-O 3.35Å; T363-G382 CarbonylContact C-O 3.49Å; T363-G382 VanDerWaalsContact CA-O 3.29Å; T363-G382 WeakPolarHBondContact CA-O 3.27Å
364	L	98.1	Very high	97.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	128.5	178.1	177.4	66.9	0	0	0	110.6	V334 L343 I345 I356 I366 G382 L383 V384	V334-L364 HydrophobicContact CB-CD2 4.34Å; V334-L364 HydrophobicContact CG1-CD2 4.26Å; V334-L364 HydrophobicContact CG2-CD1 4.37Å; V334-L364 HydrophobicContact CG2-CD2 3.96Å; L343-L364 HydrophobicContact CB-CB 4.42Å; L343-L364 HydrophobicContact CB-CD1 3.65Å; L343-L364 WeakPolarHBondContact O-CA 3.44Å; I345-L364 HydrophobicContact CD1-CD1 4.26Å; I345-L364 HydrophobicContact CG1-CD1 4.21Å; I356-L364 HydrophobicContact CD1-CD2 3.57Å; I356-L364 HydrophobicContact CG1-CD2 3.67Å; L364-I366 HydrophobicContact CD2-CD1 3.99Å; L364-I366 HydrophobicContact CD2-CG1 4.05Å; L364-I366 HydrophobicContact CG-CG1 4.03Å; L364-G382 PolarHBondContact N-O 3.05Å; L364-L383 HydrophobicContact CB-CD1 4.38Å; L364-L383 HydrophobicContact CD2-CD1 4.16Å; L364-L383 HydrophobicContact CG-CD1 4.3Å; L364-L383 WeakPolarHBondContact O-CA 3.49Å; L364-V384 PolarHBondContact O-N 3.02Å
365	Q	98.4	Very high	97.7	Very high	67 Å²	67	37.2 Å²	37.2	31%	0.313	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	124.8	171	-170.3	177.2	16.9	0	0	110.9	L343 V344 I345 K367 V384	L343-Q365 PolarHBondContact O-N 3.12Å; V344-Q365 CarbonylContact C-O 3.54Å; V344-Q365 WeakPolarHBondContact CA-O 3.33Å; V344-Q365 HydrophobicContact CG1-CB 4.43Å; V344-Q365 HydrophobicContact CG2-CB 4.33Å; I345-Q365 PolarHBondContact N-O 3.03Å; Q365-K367 VanDerWaalsContact CD-CE 3.5Å; Q365-K367 HydrophobicContact CG-CG 4.21Å; Q365-V384 CarbonylContact C-O 3.53Å; Q365-V384 VanDerWaalsContact CA-O 3.3Å; Q365-V384 WeakPolarHBondContact CA-O 3.27Å; Q365-V384 HydrophobicContact CG-CB 4.34Å
366	I	98	Very high	97.7	Very high	4 Å²	4	36.9 Å²	36.9	2%	0.021	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	106.2	175.8	-53.5	-173.5	0	0	0	108.9	I345 T348 A354 L364 V370 I373 L383 V384 F385 D386	I345-I366 HydrophobicContact CD1-CD1 4.32Å; I345-I366 HydrophobicContact CD1-CG1 4.22Å; T348-I366 HydrophobicContact CG2-CG2 3.82Å; A354-I366 HydrophobicContact CB-CD1 3.64Å; L364-I366 HydrophobicContact CD2-CD1 3.99Å; L364-I366 HydrophobicContact CD2-CG1 4.05Å; L364-I366 HydrophobicContact CG-CG1 4.03Å; I366-V370 HydrophobicContact CG2-CG1 4.11Å; I366-I373 HydrophobicContact CD1-CD1 3.98Å; I366-I373 HydrophobicContact CD1-CG1 4.27Å; I366-L383 HydrophobicContact CD1-CD1 3.95Å; I366-L383 HydrophobicContact CG1-CD1 4.06Å; I366-V384 PolarHBondContact N-O 3.47Å; I366-F385 HydrophobicContact CB-CB 4.06Å; I366-F385 VanDerWaalsContact O-CA 3.29Å; I366-F385 WeakPolarHBondContact O-CA 3.47Å; I366-D386 PolarHBondContact O-N 3.47Å; I366-D386 VanDerWaalsContact O-N 3.16Å
367	K	97.5	Very high	97.7	Very high	84 Å²	84	39.5 Å²	39.5	37%	0.365	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	149.2	179.8	-60.6	-175.9	178.1	178.2	0	110.9	V344 I345 T348 Q365 D386	V344-K367 HydrophobicContact CG1-CD 4.35Å; I345-K367 PolarHBondContact O-N 3.31Å; T348-K367 WeakPolarHBondContact CB-O 3.4Å; T348-K367 WeakPolarHBondContact CG2-O 3.26Å; T348-K367 PolarHBondContact OG1-O 3.47Å; Q365-K367 VanDerWaalsContact CD-CE 3.5Å; Q365-K367 HydrophobicContact CG-CG 4.21Å; K367-D386 WeakPolarHBondContact CA-OD2 3.33Å
368	G	96	Very high	97.7	Very high	33 Å²	33	37.7 Å²	37.7	34%	0.34	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	89	-133	177.2	0	0	0	0	0	113.8	T348 D386 N387	T348-G368 WeakPolarHBondContact OG1-CA 3.17Å; G368-D386 PolarHBondContact N-OD2 2.9Å; G368-D386 WeakPolarHBondContact O-CB 3.49Å; G368-N387 PolarHBondContact O-N 3.38Å; G368-N387 VanDerWaalsContact O-N 3.08Å
369	K	96.3	Very high	97.7	Very high	94 Å²	94	38 Å²	38	41%	0.409	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	119.6	-171.8	-171.1	164.4	175.8	170.9	0	111.9	T348 E349 L350 N387 V389	T348-K369 PolarHBondContact OG1-N 2.99Å; E349-K369 CarbonylContact C-O 3.6Å; L350-K369 WeakPolarHBondContact CA-O 3.31Å; L350-K369 HydrophobicContact CD2-CB 4.45Å; L350-K369 HydrophobicContact CD2-CD 3.62Å; L350-K369 HydrophobicContact CD2-CG 3.72Å; L350-K369 HydrophobicContact CG-CG 4.48Å; L350-K369 PolarHBondContact N-O 3.05Å; K369-N387 WeakPolarHBondContact CA-O 3.28Å; K369-N387 HydrophobicContact CB-CB 3.95Å; K369-N387 HydrophobicContact CD-CB 3.85Å; K369-N387 HydrophobicContact CG-CB 3.64Å; K369-V389 HydrophobicContact CD-CG2 4.35Å; K369-V389 HydrophobicContact CG-CG2 4.12Å
370	V	97.6	Very high	97.8	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.012	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	163.6	179.7	-64.3	0	0	0	0	111.4	T348 I366 I373 N387 V388 V389	T348-V370 HydrophobicContact CG2-CG1 3.64Å; I366-V370 HydrophobicContact CG2-CG1 4.11Å; V370-I373 HydrophobicContact CG2-CD1 4.12Å; V370-I373 HydrophobicContact CG2-CG1 3.78Å; V370-N387 PolarHBondContact N-O 3.07Å; V370-N387 VanDerWaalsContact N-O 3.1Å; V370-V388 HydrophobicContact CG2-CG2 3.95Å; V370-V388 WeakPolarHBondContact O-CA 3.28Å; V370-V389 PolarHBondContact O-N 3.3Å
371	N	97.8	Very high	97.8	Very high	66 Å²	66	40.1 Å²	40.1	35%	0.353	20%	0.2	S	C	.	.	S	Bend	trans	-70.8	-51.1	178.5	-172	42.1	0	0	0	111.6	L350 Q352 V353 G390	L350-N371 WeakPolarHBondContact O-CA 3.25Å; L350-N371 WeakPolarHBondContact O-CB 3.27Å; L350-N371 PolarHBondContact O-N 2.94Å; Q352-N371 VanDerWaalsContact O-CB 3.28Å; Q352-N371 WeakPolarHBondContact O-CB 3.36Å; Q352-N371 PolarHBondContact O-N 2.98Å; V353-N371 HydrophobicContact CG2-CB 4.23Å; N371-G390 WeakPolarHBondContact O-CA 3.43Å; N371-G390 PolarHBondContact O-N 3.32Å
372	S	97.9	Very high	97.9	Very high	16 Å²	16	36.7 Å²	36.7	11%	0.112	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	160.8	179.9	57.1	0	0	0	0	111.6	V353 A354 I391	V353-S372 WeakPolarHBondContact CA-O 3.49Å; V353-S372 WeakPolarHBondContact CG1-OG 3.22Å; V353-S372 WeakPolarHBondContact CG2-OG 3.47Å; A354-S372 PolarHBondContact N-O 3Å; S372-I391 VanDerWaalsContact CA-O 3.28Å; S372-I391 WeakPolarHBondContact CA-O 3.45Å; S372-I391 VanDerWaalsContact CB-O 3.23Å; S372-I391 WeakPolarHBondContact CB-O 3.39Å
373	I	98.7	Very high	97.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	134.7	175.8	-55.9	170.1	0	0	0	108	A354 I356 I366 V370 L383 F385 V388 I391 V392 E393	A354-I373 HydrophobicContact CB-CG1 4.22Å; A354-I373 HydrophobicContact CB-CG2 4.23Å; A354-I373 CarbonylContact O-C 3.53Å; A354-I373 WeakPolarHBondContact O-CA 3.49Å; I356-I373 HydrophobicContact CD1-CG2 3.7Å; I366-I373 HydrophobicContact CD1-CD1 3.98Å; I366-I373 HydrophobicContact CD1-CG1 4.27Å; V370-I373 HydrophobicContact CG2-CD1 4.12Å; V370-I373 HydrophobicContact CG2-CG1 3.78Å; I373-L383 HydrophobicContact CD1-CD2 4.2Å; I373-L383 HydrophobicContact CG2-CD2 3.81Å; I373-F385 HydrophobicContact CD1-CB 3.93Å; I373-F385 HydrophobicContact CD1-CD1 3.94Å; I373-F385 HydrophobicContact CD1-CD2 4.22Å; I373-F385 HydrophobicContact CD1-CG 3.76Å; I373-V388 HydrophobicContact CD1-CG2 3.49Å; I373-V388 VanDerWaalsContact CD1-CG2 3.49Å; I373-V388 HydrophobicContact CG1-CG2 3.87Å; I373-I391 PolarHBondContact N-O 3.41Å; I373-I391 VanDerWaalsContact N-O 3.11Å; I373-V392 HydrophobicContact CB-CG1 4.32Å; I373-V392 HydrophobicContact CB-CG2 4.23Å; I373-V392 HydrophobicContact CD1-CG2 4.33Å; I373-V392 CarbonylContact O-C 3.58Å; I373-V392 VanDerWaalsContact O-CA 3.31Å; I373-V392 WeakPolarHBondContact O-CA 3.26Å; I373-E393 PolarHBondContact O-N 2.95Å
374	I	98.8	Very high	98	Very high	36 Å²	36	35.8 Å²	35.8	19%	0.185	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	123.1	177.5	-58.7	167	0	0	0	107.7	V353 A354 Y355 I356 E393 I395	V353-I374 HydrophobicContact CG1-CD1 4.48Å; A354-I374 PolarHBondContact O-N 3.45Å; Y355-I374 WeakPolarHBondContact CA-O 3.26Å; Y355-I374 HydrophobicContact CD2-CB 3.83Å; Y355-I374 HydrophobicContact CD2-CD1 4.41Å; Y355-I374 HydrophobicContact CD2-CG2 3.7Å; Y355-I374 HydrophobicContact CE2-CB 4.39Å; Y355-I374 HydrophobicContact CE2-CG2 3.74Å; I356-I374 PolarHBondContact N-O 2.8Å; I374-E393 CarbonylContact C-O 3.53Å; I374-E393 WeakPolarHBondContact CA-O 3.45Å; I374-E393 HydrophobicContact CG1-CB 4.44Å; I374-I395 HydrophobicContact CG2-CD1 4.29Å
375	I	98.8	Very high	98	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	121.3	172.6	-62	162.7	0	0	0	107.1	I356 C378 L381 L383 E393 V394 I395 I400 I402	I356-I375 HydrophobicContact CB-CG1 4.36Å; I356-I375 HydrophobicContact CD1-CG1 3.77Å; I356-I375 CarbonylContact O-C 3.57Å; I356-I375 WeakPolarHBondContact O-CA 3.46Å; I375-C378 HydrophobicContact CG2-CB 3.77Å; I375-L381 HydrophobicContact CD1-CD2 4.27Å; I375-L381 HydrophobicContact CG1-CD2 4.14Å; I375-L381 HydrophobicContact CG2-CD2 3.69Å; I375-L383 HydrophobicContact CD1-CB 4.33Å; I375-L383 HydrophobicContact CD1-CD2 3.74Å; I375-L383 HydrophobicContact CG1-CD2 4.41Å; I375-E393 PolarHBondContact N-O 3.11Å; I375-V394 HydrophobicContact CB-CG1 4.37Å; I375-V394 HydrophobicContact CD1-CG2 4.18Å; I375-V394 HydrophobicContact CG2-CG1 4.32Å; I375-V394 CarbonylContact O-C 3.46Å; I375-I395 PolarHBondContact O-N 2.77Å; I375-I400 HydrophobicContact CD1-CG2 4.13Å; I375-I400 HydrophobicContact CG2-CD1 4.38Å; I375-I402 HydrophobicContact CD1-CD1 4.07Å; I375-I402 HydrophobicContact CD1-CG1 4.34Å
376	D	98.3	Very high	98	Very high	33 Å²	33	34.9 Å²	34.9	18%	0.176	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	129.2	-176.3	-175.9	8.8	0	0	0	111.5	Y355 I356 F357 K358 C378 I395	Y355-D376 HydrophobicContact CE2-CB 4.01Å; Y355-D376 PolarHBondContact OH-OD2 3.01Å; I356-D376 PolarHBondContact O-N 2.75Å; F357-D376 VanDerWaalsContact CA-O 3.32Å; F357-D376 WeakPolarHBondContact CA-O 3.43Å; F357-D376 HydrophobicContact CD2-CB 4.02Å; F357-D376 WeakPolarHBondContact CD2-O 3.49Å; K358-D376 PolarHBondContact N-O 2.9Å; D376-C378 PolarHBondContact O-N 3.2Å; D376-C378 VanDerWaalsContact O-N 3.13Å; D376-C378 PolarHBondContact O-SG 3.17Å; D376-I395 WeakPolarHBondContact CA-O 3.45Å
377	N	97.7	Very high	97.9	Very high	54 Å²	54	37.3 Å²	37.3	29%	0.289	19%	0.194	S	C	.	.	S	Bend	trans	53.9	35.1	175.9	-157.3	86.9	0	0	0	113.8	F357 K358 I395 N396 S397	F357-N377 HydrophobicContact CD2-CB 4.3Å; F357-N377 HydrophobicContact CE2-CB 3.93Å; K358-N377 VanDerWaalsContact CA-O 3.32Å; K358-N377 WeakPolarHBondContact CA-O 3.41Å; K358-N377 HydrophobicContact CG-CB 4.2Å; K358-N377 WeakPolarHBondContact CG-ND2 3.45Å; N377-I395 PolarHBondContact N-O 3.18Å; N377-N396 VanDerWaalsContact CA-O 3.3Å; N377-N396 WeakPolarHBondContact CA-O 3.4Å; N377-N396 PolarHBondContact OD1-ND2 3.37Å; N377-S397 PolarHBondContact N-OG 3.33Å
378	C	98	Very high	97.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.178	C	C	.	.			trans	-96.1	157.4	179.1	-66.4	0	0	0	0	111.6	I356 C359 I375 D376 L381 S397 Q398 I400	I356-C378 PolarHBondContact O-SG 3.39Å; C359-C378 PolarHBondContact N-SG 3.13Å; C359-C378 VanDerWaalsContact N-SG 3.36Å; C359-C378 CarbonylContact O-C 3.52Å; C359-C378 VanDerWaalsContact O-CA 3.27Å; C359-C378 WeakPolarHBondContact O-CA 3.45Å; C359-C378 WeakPolarHBondContact O-CB 3.42Å; I375-C378 HydrophobicContact CG2-CB 3.77Å; D376-C378 PolarHBondContact O-N 3.2Å; D376-C378 VanDerWaalsContact O-N 3.13Å; D376-C378 PolarHBondContact O-SG 3.17Å; C378-L381 HydrophobicContact CB-CB 4.15Å; C378-L381 HydrophobicContact CB-CD2 3.95Å; C378-S397 PolarHBondContact N-OG 2.93Å; C378-S397 CarbonylContact O-C 3.55Å; C378-S397 VanDerWaalsContact O-CA 3.25Å; C378-S397 WeakPolarHBondContact O-CA 3.06Å; C378-S397 VanDerWaalsContact O-CB 3.31Å; C378-S397 WeakPolarHBondContact O-CB 3.42Å; C378-Q398 PolarHBondContact O-N 3.29Å; C378-I400 HydrophobicContact CB-CD1 4.07Å
379	K	98.3	Very high	98	Very high	98 Å²	98	35 Å²	35	43%	0.426	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	131.1	179.1	-64.1	-169.6	178.1	-169.2	0	111.5	C359 E360 K361 L381 Q398	C359-K379 PolarHBondContact O-N 3.44Å; E360-K379 CarbonylContact C-O 3.59Å; E360-K379 WeakPolarHBondContact CA-O 3.5Å; E360-K379 HydrophobicContact CG-CB 4.22Å; K361-K379 PolarHBondContact N-O 2.8Å; K379-L381 VanDerWaalsContact C-N 3.32Å; K379-L381 PolarHBondContact O-N 2.86Å; K379-Q398 CarbonylContact C-O 3.5Å; K379-Q398 WeakPolarHBondContact CA-O 3.32Å; K379-Q398 HydrophobicContact CG-CB 4.33Å
380	K	97.8	Very high	98	Very high	117 Å²	117	31.8 Å²	31.8	51%	0.509	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	54.8	48.7	179.4	-50.7	-156.9	166.1	-163.6	0	111.8	K361 S362 Q398 D399	K361-K380 CarbonylContact C-O 3.39Å; K361-K380 WeakPolarHBondContact CA-O 3.44Å; K361-K380 HydrophobicContact CG-CB 4.02Å; K361-K380 HydrophobicContact CG-CD 4.04Å; K361-K380 HydrophobicContact CG-CG 4.42Å; K361-K380 PolarHBondContact N-O 2.94Å; S362-K380 PolarHBondContact N-O 3.29Å; K380-Q398 PolarHBondContact N-O 3.22Å; K380-D399 CarbonylContact C-O 3.53Å; K380-D399 WeakPolarHBondContact CA-O 3.42Å; K380-D399 WeakPolarHBondContact CE-OD2 3.35Å; K380-D399 HydrophobicContact CG-CB 4.11Å; K380-D399 WeakPolarHBondContact CG-OD2 3.37Å; K380-D399 PolarHBondContact N-O 2.91Å
381	L	98.5	Very high	98	Very high	3 Å²	3	34 Å²	34	2%	0.016	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	125	-176.2	179.2	78.1	0	0	0	110	I356 C359 S362 I375 C378 K379 D399 I400 Q401	I356-L381 HydrophobicContact CG2-CD1 4.38Å; I356-L381 HydrophobicContact CG2-CD2 3.73Å; C359-L381 HydrophobicContact CB-CD1 3.91Å; S362-L381 WeakPolarHBondContact O-CA 3.06Å; I375-L381 HydrophobicContact CD1-CD2 4.27Å; I375-L381 HydrophobicContact CG1-CD2 4.14Å; I375-L381 HydrophobicContact CG2-CD2 3.69Å; C378-L381 HydrophobicContact CB-CB 4.15Å; C378-L381 HydrophobicContact CB-CD2 3.95Å; K379-L381 VanDerWaalsContact C-N 3.32Å; K379-L381 PolarHBondContact O-N 2.86Å; L381-D399 PolarHBondContact N-O 2.77Å; L381-D399 VanDerWaalsContact N-O 3.14Å; L381-I400 HydrophobicContact CB-CD1 3.72Å; L381-Q401 PolarHBondContact O-N 3.44Å
382	G	98.4	Very high	98	Very high	14 Å²	14	30.9 Å²	30.9	14%	0.144	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	128.6	164.2	0	0	0	0	0	111	S362 T363 L364 Q401	S362-G382 PolarHBondContact O-N 3.45Å; T363-G382 CarbonylContact C-O 3.49Å; T363-G382 VanDerWaalsContact CA-O 3.29Å; T363-G382 WeakPolarHBondContact CA-O 3.27Å; L364-G382 PolarHBondContact N-O 3.05Å; G382-Q401 CarbonylContact C-O 3.55Å; G382-Q401 WeakPolarHBondContact CA-O 3.33Å
383	L	98.6	Very high	98.1	Very high	1 Å²	1	33 Å²	33	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	123.3	171	174.1	66.9	0	0	0	109.2	I356 L364 I366 I373 I375 F385 Q401 I402 Q403	I356-L383 HydrophobicContact CD1-CD1 4.05Å; I356-L383 HydrophobicContact CD1-CD2 4.42Å; L364-L383 HydrophobicContact CB-CD1 4.38Å; L364-L383 HydrophobicContact CD2-CD1 4.16Å; L364-L383 HydrophobicContact CG-CD1 4.3Å; L364-L383 WeakPolarHBondContact O-CA 3.49Å; I366-L383 HydrophobicContact CD1-CD1 3.95Å; I366-L383 HydrophobicContact CG1-CD1 4.06Å; I373-L383 HydrophobicContact CD1-CD2 4.2Å; I373-L383 HydrophobicContact CG2-CD2 3.81Å; I375-L383 HydrophobicContact CD1-CB 4.33Å; I375-L383 HydrophobicContact CD1-CD2 3.74Å; I375-L383 HydrophobicContact CG1-CD2 4.41Å; L383-F385 HydrophobicContact CD2-CD1 3.99Å; L383-F385 HydrophobicContact CD2-CE1 4.47Å; L383-F385 HydrophobicContact CG-CD1 4.11Å; L383-Q401 PolarHBondContact N-O 3.2Å; L383-I402 HydrophobicContact CB-CG1 4.48Å; L383-I402 CarbonylContact O-C 3.57Å; L383-I402 WeakPolarHBondContact O-CA 3.45Å; L383-Q403 PolarHBondContact O-N 3.35Å
384	V	98.4	Very high	98.1	Very high	29 Å²	29	33 Å²	33	18%	0.176	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	127.8	170.1	-174.3	0	0	0	0	108.2	L364 Q365 I366 Q403 M405	L364-V384 PolarHBondContact O-N 3.02Å; Q365-V384 CarbonylContact C-O 3.53Å; Q365-V384 VanDerWaalsContact CA-O 3.3Å; Q365-V384 WeakPolarHBondContact CA-O 3.27Å; Q365-V384 HydrophobicContact CG-CB 4.34Å; I366-V384 PolarHBondContact N-O 3.47Å; V384-Q403 WeakPolarHBondContact CA-O 3.4Å; V384-Q403 HydrophobicContact CG1-CB 4.39Å; V384-Q403 HydrophobicContact CG2-CB 4.19Å; V384-M405 HydrophobicContact CG1-CG 3.8Å; V384-M405 HydrophobicContact CG1-SD 4.18Å
385	F	98.4	Very high	98	Very high	1 Å²	1	33.6 Å²	33.6	0%	0.004	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	153.2	177.4	72	-91.9	0	0	0	113.4	I366 I373 L383 V388 V392 I402 Q403 V404 M405 V408	I366-F385 HydrophobicContact CB-CB 4.06Å; I366-F385 VanDerWaalsContact O-CA 3.29Å; I366-F385 WeakPolarHBondContact O-CA 3.47Å; I373-F385 HydrophobicContact CD1-CB 3.93Å; I373-F385 HydrophobicContact CD1-CD1 3.94Å; I373-F385 HydrophobicContact CD1-CD2 4.22Å; I373-F385 HydrophobicContact CD1-CG 3.76Å; L383-F385 HydrophobicContact CD2-CD1 3.99Å; L383-F385 HydrophobicContact CD2-CE1 4.47Å; L383-F385 HydrophobicContact CG-CD1 4.11Å; F385-V388 HydrophobicContact CD2-CB 4.48Å; F385-V388 HydrophobicContact CD2-CG2 3.56Å; F385-V388 HydrophobicContact CE2-CB 3.99Å; F385-V388 HydrophobicContact CE2-CG2 3.43Å; F385-V388 VanDerWaalsContact CE2-CG2 3.43Å; F385-V388 HydrophobicContact CG-CG2 4.32Å; F385-V388 HydrophobicContact CZ-CG2 4.09Å; F385-V392 HydrophobicContact CE1-CG2 3.91Å; F385-V392 HydrophobicContact CE2-CG2 4.43Å; F385-V392 HydrophobicContact CZ-CG2 3.71Å; F385-I402 HydrophobicContact CD1-CG2 4.25Å; F385-I402 HydrophobicContact CE1-CG2 3.61Å; F385-Q403 PolarHBondContact N-O 3.32Å; F385-V404 HydrophobicContact CE1-CG2 3.96Å; F385-V404 HydrophobicContact CE2-CG1 3.87Å; F385-V404 HydrophobicContact CE2-CG2 4.48Å; F385-V404 HydrophobicContact CZ-CB 4.19Å; F385-V404 HydrophobicContact CZ-CG1 3.89Å; F385-V404 HydrophobicContact CZ-CG2 3.67Å; F385-M405 WeakPolarHBondContact O-CB 3.3Å; F385-M405 PolarHBondContact O-N 2.98Å; F385-V408 HydrophobicContact CE2-CB 4.09Å; F385-V408 HydrophobicContact CZ-CB 4Å; F385-V408 HydrophobicContact CZ-CG1 4.11Å; F385-V408 HydrophobicContact CZ-CG2 4.34Å
386	D	97.4	Very high	98	Very high	48 Å²	48	36.1 Å²	36.1	26%	0.257	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	-76.6	178.2	-70.3	-11.9	0	0	0	111.2	I366 K367 G368 G406	I366-D386 PolarHBondContact O-N 3.47Å; I366-D386 VanDerWaalsContact O-N 3.16Å; K367-D386 WeakPolarHBondContact CA-OD2 3.33Å; G368-D386 PolarHBondContact N-OD2 2.9Å; G368-D386 WeakPolarHBondContact O-CB 3.49Å; D386-G406 CarbonylContact O-C 3.53Å; D386-G406 WeakPolarHBondContact O-CA 3.5Å; D386-G406 PolarHBondContact O-N 3.5Å
387	N	97	Very high	97.9	Very high	54 Å²	54	34.9 Å²	34.9	29%	0.289	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	139.4	-175	-66	-92.9	0	0	0	112.8	G368 K369 V370 R407	G368-N387 PolarHBondContact O-N 3.38Å; G368-N387 VanDerWaalsContact O-N 3.08Å; K369-N387 WeakPolarHBondContact CA-O 3.28Å; K369-N387 HydrophobicContact CB-CB 3.95Å; K369-N387 HydrophobicContact CD-CB 3.85Å; K369-N387 HydrophobicContact CG-CB 3.64Å; V370-N387 PolarHBondContact N-O 3.07Å; V370-N387 VanDerWaalsContact N-O 3.1Å; N387-R407 PolarHBondContact OD1-N 3.49Å; N387-R407 VanDerWaalsContact OD1-N 3.09Å
388	V	98	Very high	98	Very high	5 Å²	5	35.9 Å²	35.9	3%	0.03	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	129.6	172.4	170.7	0	0	0	0	109.1	V370 I373 F385 V392 R407 V408 P409	V370-V388 HydrophobicContact CG2-CG2 3.95Å; V370-V388 WeakPolarHBondContact O-CA 3.28Å; I373-V388 HydrophobicContact CD1-CG2 3.49Å; I373-V388 VanDerWaalsContact CD1-CG2 3.49Å; I373-V388 HydrophobicContact CG1-CG2 3.87Å; F385-V388 HydrophobicContact CD2-CB 4.48Å; F385-V388 HydrophobicContact CD2-CG2 3.56Å; F385-V388 HydrophobicContact CE2-CB 3.99Å; F385-V388 HydrophobicContact CE2-CG2 3.43Å; F385-V388 VanDerWaalsContact CE2-CG2 3.43Å; F385-V388 HydrophobicContact CG-CG2 4.32Å; F385-V388 HydrophobicContact CZ-CG2 4.09Å; V388-V392 HydrophobicContact CB-CG2 4.27Å; V388-V392 HydrophobicContact CG1-CG2 4.14Å; V388-V392 HydrophobicContact CG2-CG2 3.87Å; V388-R407 PolarHBondContact N-O 3.44Å; V388-V408 HydrophobicContact CB-CB 4.34Å; V388-V408 HydrophobicContact CB-CG2 4.1Å; V388-V408 HydrophobicContact CG1-CG2 4.27Å; V388-P409 VanDerWaalsContact O-CD 3.32Å; V388-P409 WeakPolarHBondContact O-CD 3.37Å
389	V	96.6	Very high	98	Very high	63 Å²	63	38.7 Å²	38.7	38%	0.382	21%	0.205	S	C	.	.	S	Bend	trans	-76.3	-40.6	-178.5	178	0	0	0	0	112	L350 K369 V370 P409	L350-V389 HydrophobicContact CD2-CG2 3.64Å; K369-V389 HydrophobicContact CD-CG2 4.35Å; K369-V389 HydrophobicContact CG-CG2 4.12Å; V370-V389 PolarHBondContact O-N 3.3Å; V389-P409 WeakPolarHBondContact O-CG 3.43Å
390	G	96.6	Very high	98	Very high	28 Å²	28	34 Å²	34	29%	0.289	19%	0.185	S	C	.	.	S	Bend	trans	-105.7	-92.5	-173.6	0	0	0	0	0	111.8	N371 P409	N371-G390 WeakPolarHBondContact O-CA 3.43Å; N371-G390 PolarHBondContact O-N 3.32Å; G390-P409 WeakPolarHBondContact O-CD 3.47Å
391	I	97.9	Very high	98	Very high	49 Å²	49	32.7 Å²	32.7	25%	0.251	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	148.2	-167.7	-169.7	166.1	0	0	0	111.5	S372 I373 E393 T410	S372-I391 VanDerWaalsContact CA-O 3.28Å; S372-I391 WeakPolarHBondContact CA-O 3.45Å; S372-I391 VanDerWaalsContact CB-O 3.23Å; S372-I391 WeakPolarHBondContact CB-O 3.39Å; I373-I391 PolarHBondContact N-O 3.41Å; I373-I391 VanDerWaalsContact N-O 3.11Å; I391-E393 HydrophobicContact CD1-CG 3.95Å; I391-E393 HydrophobicContact CG1-CG 3.91Å; I391-E393 HydrophobicContact CG2-CG 4.06Å; I391-T410 WeakPolarHBondContact CA-O 3.38Å; I391-T410 HydrophobicContact CD1-CG2 3.91Å; I391-T410 HydrophobicContact CG1-CG2 4.13Å; I391-T410 WeakPolarHBondContact CG1-O 3.48Å
392	V	98.7	Very high	98	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	124.6	162.2	-179.9	0	0	0	0	108.4	I373 F385 V388 I402 V408 T410 I411 S412	I373-V392 HydrophobicContact CB-CG1 4.32Å; I373-V392 HydrophobicContact CB-CG2 4.23Å; I373-V392 HydrophobicContact CD1-CG2 4.33Å; I373-V392 CarbonylContact O-C 3.58Å; I373-V392 VanDerWaalsContact O-CA 3.31Å; I373-V392 WeakPolarHBondContact O-CA 3.26Å; F385-V392 HydrophobicContact CE1-CG2 3.91Å; F385-V392 HydrophobicContact CE2-CG2 4.43Å; F385-V392 HydrophobicContact CZ-CG2 3.71Å; V388-V392 HydrophobicContact CB-CG2 4.27Å; V388-V392 HydrophobicContact CG1-CG2 4.14Å; V388-V392 HydrophobicContact CG2-CG2 3.87Å; V392-I402 HydrophobicContact CG1-CD1 4.13Å; V392-V408 HydrophobicContact CG2-CG2 3.93Å; V392-T410 PolarHBondContact N-O 2.89Å; V392-I411 HydrophobicContact CB-CG1 4.2Å; V392-I411 HydrophobicContact CB-CG2 4.43Å; V392-I411 CarbonylContact O-C 3.39Å; V392-I411 VanDerWaalsContact O-CA 3.32Å; V392-I411 WeakPolarHBondContact O-CA 3.38Å; V392-S412 PolarHBondContact O-N 2.91Å
393	E	98.4	Very high	98	Very high	60 Å²	60	35.3 Å²	35.3	28%	0.28	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	131.1	-179.6	-60.1	-172.7	102.8	0	0	110.5	I373 I374 I375 I391 I395 S412	I373-E393 PolarHBondContact O-N 2.95Å; I374-E393 CarbonylContact C-O 3.53Å; I374-E393 WeakPolarHBondContact CA-O 3.45Å; I374-E393 HydrophobicContact CG1-CB 4.44Å; I375-E393 PolarHBondContact N-O 3.11Å; I391-E393 HydrophobicContact CD1-CG 3.95Å; I391-E393 HydrophobicContact CG1-CG 3.91Å; I391-E393 HydrophobicContact CG2-CG 4.06Å; E393-I395 HydrophobicContact CB-CD1 4.35Å; E393-I395 HydrophobicContact CB-CG1 4.37Å; E393-S412 CarbonylContact C-O 3.57Å; E393-S412 WeakPolarHBondContact CA-O 3.27Å
394	V	98.6	Very high	98	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	116.6	173.9	-167.2	0	0	0	0	108.1	I375 I400 I402 S412 N414 T416	I375-V394 HydrophobicContact CB-CG1 4.37Å; I375-V394 HydrophobicContact CD1-CG2 4.18Å; I375-V394 HydrophobicContact CG2-CG1 4.32Å; I375-V394 CarbonylContact O-C 3.46Å; V394-I400 HydrophobicContact CG1-CB 4.36Å; V394-I400 HydrophobicContact CG1-CG1 4.02Å; V394-I400 HydrophobicContact CG1-CG2 4.2Å; V394-I402 HydrophobicContact CG2-CD1 3.51Å; V394-S412 PolarHBondContact N-O 3.36Å; V394-N414 PolarHBondContact O-N 3.5Å; V394-T416 HydrophobicContact CG1-CG2 3.78Å; V394-T416 PolarHBondContact O-OG1 2.93Å
395	I	98.1	Very high	97.9	Very high	49 Å²	49	38.6 Å²	38.6	25%	0.251	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	131.3	-170.2	-53.3	175.8	0	0	0	109	I374 I375 D376 N377 E393 S397 N414	I374-I395 HydrophobicContact CG2-CD1 4.29Å; I375-I395 PolarHBondContact O-N 2.77Å; D376-I395 WeakPolarHBondContact CA-O 3.45Å; N377-I395 PolarHBondContact N-O 3.18Å; E393-I395 HydrophobicContact CB-CD1 4.35Å; E393-I395 HydrophobicContact CB-CG1 4.37Å; I395-S397 PolarHBondContact O-N 3.11Å; I395-S397 PolarHBondContact O-OG 3.15Å; I395-N414 CarbonylContact C-O 3.6Å; I395-N414 VanDerWaalsContact CA-O 3.29Å; I395-N414 WeakPolarHBondContact CA-O 3.27Å
396	N	97.3	Very high	97.8	Very high	53 Å²	53	38.9 Å²	38.9	28%	0.283	21%	0.206	S	C	.	.	S	Bend	trans	53.9	34	167.7	-171.1	50.8	0	0	0	113.9	N377 N414 K415	N377-N396 VanDerWaalsContact CA-O 3.3Å; N377-N396 WeakPolarHBondContact CA-O 3.4Å; N377-N396 PolarHBondContact OD1-ND2 3.37Å; N396-N414 PolarHBondContact N-O 3.13Å; N396-K415 WeakPolarHBondContact CA-O 3.49Å; N396-K415 HydrophobicContact CB-CD 4.22Å; N396-K415 PolarHBondContact N-O 3.44Å; N396-K415 WeakPolarHBondContact OD1-CD 3.35Å; N396-K415 WeakPolarHBondContact OD1-CE 3.39Å; N396-K415 PolarHBondContact OD1-NZ 3Å
397	S	98.2	Very high	97.8	Very high	7 Å²	7	42.8 Å²	42.8	5%	0.049	22%	0.218	C	C	.	.			trans	-116.7	169.6	-169.3	-66.5	0	0	0	0	112	N377 C378 I395 T416 E417	N377-S397 PolarHBondContact N-OG 3.33Å; C378-S397 PolarHBondContact N-OG 2.93Å; C378-S397 CarbonylContact O-C 3.55Å; C378-S397 VanDerWaalsContact O-CA 3.25Å; C378-S397 WeakPolarHBondContact O-CA 3.06Å; C378-S397 VanDerWaalsContact O-CB 3.31Å; C378-S397 WeakPolarHBondContact O-CB 3.42Å; I395-S397 PolarHBondContact O-N 3.11Å; I395-S397 PolarHBondContact O-OG 3.15Å; S397-T416 PolarHBondContact N-OG1 3.48Å; S397-T416 VanDerWaalsContact O-CA 3.23Å; S397-T416 WeakPolarHBondContact O-CA 3.47Å; S397-T416 WeakPolarHBondContact O-CG2 3.35Å; S397-E417 PolarHBondContact O-N 2.97Å; S397-E417 VanDerWaalsContact O-N 3.1Å
398	Q	98.4	Very high	97.8	Very high	74 Å²	74	40.2 Å²	40.2	35%	0.346	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	138.8	179.6	-170.5	177.6	27.1	0	0	111.5	C378 K379 K380 E417	C378-Q398 PolarHBondContact O-N 3.29Å; K379-Q398 CarbonylContact C-O 3.5Å; K379-Q398 WeakPolarHBondContact CA-O 3.32Å; K379-Q398 HydrophobicContact CG-CB 4.33Å; K380-Q398 PolarHBondContact N-O 3.22Å; Q398-E417 CarbonylContact C-O 3.56Å; Q398-E417 WeakPolarHBondContact CA-O 3.42Å; Q398-E417 HydrophobicContact CG-CB 4.38Å; Q398-E417 PolarHBondContact NE2-OE1 2.97Å
399	D	98	Very high	97.8	Very high	59 Å²	59	42.3 Å²	42.3	32%	0.316	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	54.7	66.1	176.4	-168.6	7.9	0	0	0	111.2	K380 L381 E417 G418	K380-D399 CarbonylContact C-O 3.53Å; K380-D399 WeakPolarHBondContact CA-O 3.42Å; K380-D399 WeakPolarHBondContact CE-OD2 3.35Å; K380-D399 HydrophobicContact CG-CB 4.11Å; K380-D399 WeakPolarHBondContact CG-OD2 3.37Å; K380-D399 PolarHBondContact N-O 2.91Å; L381-D399 PolarHBondContact N-O 2.77Å; L381-D399 VanDerWaalsContact N-O 3.14Å; D399-E417 PolarHBondContact N-O 3.4Å; D399-G418 CarbonylContact C-O 3.55Å; D399-G418 VanDerWaalsContact CA-O 3.24Å; D399-G418 WeakPolarHBondContact CA-O 3.41Å; D399-G418 PolarHBondContact N-O 3.38Å; D399-G418 VanDerWaalsContact N-O 3.14Å
400	I	98.6	Very high	97.8	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	133.2	-176.3	-53.8	-60.8	0	0	0	109.4	I375 C378 L381 V394 I402 T416 G418 C419 H420	I375-I400 HydrophobicContact CD1-CG2 4.13Å; I375-I400 HydrophobicContact CG2-CD1 4.38Å; C378-I400 HydrophobicContact CB-CD1 4.07Å; L381-I400 HydrophobicContact CB-CD1 3.72Å; V394-I400 HydrophobicContact CG1-CB 4.36Å; V394-I400 HydrophobicContact CG1-CG1 4.02Å; V394-I400 HydrophobicContact CG1-CG2 4.2Å; I400-I402 HydrophobicContact CG2-CD1 4.33Å; I400-I402 HydrophobicContact CG2-CG1 4.01Å; I400-T416 HydrophobicContact CG1-CG2 4.34Å; I400-G418 PolarHBondContact N-O 2.87Å; I400-C419 CarbonylContact O-C 3.49Å; I400-C419 WeakPolarHBondContact O-CA 3.44Å; I400-H420 PolarHBondContact O-N 3.43Å
401	Q	98.4	Very high	97.9	Very high	89 Å²	89	39.4 Å²	39.4	42%	0.416	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	124.9	175.1	-62.8	-175	-9.2	0	0	109.1	L381 G382 L383 H420	L381-Q401 PolarHBondContact O-N 3.44Å; G382-Q401 CarbonylContact C-O 3.55Å; G382-Q401 WeakPolarHBondContact CA-O 3.33Å; L383-Q401 PolarHBondContact N-O 3.2Å; Q401-H420 CarbonylContact C-O 3.56Å; Q401-H420 WeakPolarHBondContact CA-O 3.5Å; Q401-H420 HydrophobicContact CG-CB 4.44Å
402	I	98.6	Very high	97.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	123.9	-179.4	-60.5	178.1	0	0	0	108.6	I375 L383 F385 V392 V394 I400 V404 H420 I421 Y422	I375-I402 HydrophobicContact CD1-CD1 4.07Å; I375-I402 HydrophobicContact CD1-CG1 4.34Å; L383-I402 HydrophobicContact CB-CG1 4.48Å; L383-I402 CarbonylContact O-C 3.57Å; L383-I402 WeakPolarHBondContact O-CA 3.45Å; F385-I402 HydrophobicContact CD1-CG2 4.25Å; F385-I402 HydrophobicContact CE1-CG2 3.61Å; V392-I402 HydrophobicContact CG1-CD1 4.13Å; V394-I402 HydrophobicContact CG2-CD1 3.51Å; I400-I402 HydrophobicContact CG2-CD1 4.33Å; I400-I402 HydrophobicContact CG2-CG1 4.01Å; I402-V404 HydrophobicContact CG2-CG2 4.44Å; I402-H420 PolarHBondContact N-O 2.99Å; I402-I421 HydrophobicContact CB-CG1 4.38Å; I402-I421 CarbonylContact O-C 3.48Å; I402-I421 WeakPolarHBondContact O-CA 3.4Å; I402-Y422 WeakPolarHBondContact O-CD2 3.36Å; I402-Y422 PolarHBondContact O-N 3.33Å
403	Q	98.2	Very high	97.9	Very high	72 Å²	72	38.1 Å²	38.1	34%	0.336	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	117.9	172.9	-173.7	174.8	5.6	0	0	110.5	L383 V384 F385 M405	L383-Q403 PolarHBondContact O-N 3.35Å; V384-Q403 WeakPolarHBondContact CA-O 3.4Å; V384-Q403 HydrophobicContact CG1-CB 4.39Å; V384-Q403 HydrophobicContact CG2-CB 4.19Å; F385-Q403 PolarHBondContact N-O 3.32Å; Q403-M405 HydrophobicContact CG-SD 4.07Å
404	V	97.9	Very high	97.9	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.006	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	123	176.2	-168.4	0	0	0	0	108.1	F385 I402 G406 V408 I411 Y422 L423 S424 A427	F385-V404 HydrophobicContact CE1-CG2 3.96Å; F385-V404 HydrophobicContact CE2-CG1 3.87Å; F385-V404 HydrophobicContact CE2-CG2 4.48Å; F385-V404 HydrophobicContact CZ-CB 4.19Å; F385-V404 HydrophobicContact CZ-CG1 3.89Å; F385-V404 HydrophobicContact CZ-CG2 3.67Å; I402-V404 HydrophobicContact CG2-CG2 4.44Å; V404-G406 VanDerWaalsContact CG1-O 3.26Å; V404-G406 WeakPolarHBondContact CG1-O 3.37Å; V404-V408 HydrophobicContact CG1-CB 4.47Å; V404-V408 HydrophobicContact CG1-CG1 3.8Å; V404-V408 HydrophobicContact CG2-CG1 3.9Å; V404-I411 HydrophobicContact CG2-CD1 4.42Å; V404-Y422 PolarHBondContact N-O 3.45Å; V404-L423 HydrophobicContact CG2-CD2 4Å; V404-S424 WeakPolarHBondContact O-CB 3.49Å; V404-A427 HydrophobicContact CG1-CB 4.01Å
405	M	97.5	Very high	97.8	Very high	98 Å²	98	44.1 Å²	44.1	48%	0.483	22%	0.218	S	C	.	.	S	Bend	trans	-96.4	-30.3	176.7	-58.6	-62.8	-61.7	0	0	112.5	V384 F385 Q403	V384-M405 HydrophobicContact CG1-CG 3.8Å; V384-M405 HydrophobicContact CG1-SD 4.18Å; F385-M405 WeakPolarHBondContact O-CB 3.3Å; F385-M405 PolarHBondContact O-N 2.98Å; Q403-M405 HydrophobicContact CG-SD 4.07Å
406	G	95.9	Very high	97.8	Very high	7 Å²	7	41.9 Å²	41.9	7%	0.072	21%	0.207	C	C	.	.	S	Bend	trans	-121.1	-129.3	177.9	0	0	0	0	0	110.9	D386 V404 S424	D386-G406 CarbonylContact O-C 3.53Å; D386-G406 WeakPolarHBondContact O-CA 3.5Å; D386-G406 PolarHBondContact O-N 3.5Å; V404-G406 VanDerWaalsContact CG1-O 3.26Å; V404-G406 WeakPolarHBondContact CG1-O 3.37Å; G406-S424 PolarHBondContact O-OG 3.28Å
407	R	96.1	Very high	97.8	Very high	131 Å²	131	43.6 Å²	43.6	49%	0.494	21%	0.213	S	C	.	.			trans	-108.4	144	-174.9	-167.4	167.2	-176.1	-163.5	1	113.9	N387 V388 D426 D429	N387-R407 PolarHBondContact OD1-N 3.49Å; N387-R407 VanDerWaalsContact OD1-N 3.09Å; V388-R407 PolarHBondContact N-O 3.44Å; R407-D426 WeakPolarHBondContact CG-O 3.3Å; R407-D429 IonicContact CZ-OD2 2.8Å; R407-D429 IonicContact NE-OD1 3.43Å; R407-D429 IonicContact NE-OD2 3.45Å; R407-D429 IonicContact NH2-OD2 2.62Å; R407-D429 PolarHBondContact NH2-OD2 3.48Å
408	V	97.6	Very high	97.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.214	C	C	.	.			trans	-143.1	128.4	168.8	57.4	0	0	0	0	109.3	F385 V388 V392 V404 T410 I411 A427 C430	F385-V408 HydrophobicContact CE2-CB 4.09Å; F385-V408 HydrophobicContact CZ-CB 4Å; F385-V408 HydrophobicContact CZ-CG1 4.11Å; F385-V408 HydrophobicContact CZ-CG2 4.34Å; V388-V408 HydrophobicContact CB-CB 4.34Å; V388-V408 HydrophobicContact CB-CG2 4.1Å; V388-V408 HydrophobicContact CG1-CG2 4.27Å; V392-V408 HydrophobicContact CG2-CG2 3.93Å; V404-V408 HydrophobicContact CG1-CB 4.47Å; V404-V408 HydrophobicContact CG1-CG1 3.8Å; V404-V408 HydrophobicContact CG2-CG1 3.9Å; V408-T410 WeakPolarHBondContact CG2-O 3.39Å; V408-I411 HydrophobicContact CG1-CD1 4.03Å; V408-I411 HydrophobicContact CG1-CG1 4.2Å; V408-I411 HydrophobicContact CG2-CG1 4.05Å; V408-A427 HydrophobicContact CG1-CB 4.19Å; V408-C430 HydrophobicContact CG1-CB 4.37Å; V408-C430 WeakPolarHBondContact O-CB 3.35Å
409	P	97.4	Very high	97.6	Very high	49 Å²	49	40 Å²	40	32%	0.318	20%	0.197	S	C	.	.	S	Bend	trans	-74.4	-38.2	179.2	-22.3	33.5	0	0	0	114.6	V388 V389 G390 C430 E431	V388-P409 VanDerWaalsContact O-CD 3.32Å; V388-P409 WeakPolarHBondContact O-CD 3.37Å; V389-P409 WeakPolarHBondContact O-CG 3.43Å; G390-P409 WeakPolarHBondContact O-CD 3.47Å; P409-C430 WeakPolarHBondContact O-CA 3.44Å; P409-E431 PolarHBondContact O-N 3.36Å
410	T	98.1	Very high	97.6	Very high	30 Å²	30	39.3 Å²	39.3	18%	0.184	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	138.2	-173.2	-50.5	0	0	0	0	111	I391 V392 V408 E431 V433	I391-T410 WeakPolarHBondContact CA-O 3.38Å; I391-T410 HydrophobicContact CD1-CG2 3.91Å; I391-T410 HydrophobicContact CG1-CG2 4.13Å; I391-T410 WeakPolarHBondContact CG1-O 3.48Å; V392-T410 PolarHBondContact N-O 2.89Å; V408-T410 WeakPolarHBondContact CG2-O 3.39Å; T410-E431 CarbonylContact C-O 3.5Å; T410-E431 WeakPolarHBondContact CA-O 3.09Å; T410-E431 HydrophobicContact CG2-CB 4.39Å; T410-V433 HydrophobicContact CG2-CG2 4.23Å
411	I	98.6	Very high	97.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	124.8	168.4	-57.5	169.3	0	0	0	108.8	V392 V404 V408 I413 I421 L423 E431 I432 V433	V392-I411 HydrophobicContact CB-CG1 4.2Å; V392-I411 HydrophobicContact CB-CG2 4.43Å; V392-I411 CarbonylContact O-C 3.39Å; V392-I411 VanDerWaalsContact O-CA 3.32Å; V392-I411 WeakPolarHBondContact O-CA 3.38Å; V404-I411 HydrophobicContact CG2-CD1 4.42Å; V408-I411 HydrophobicContact CG1-CD1 4.03Å; V408-I411 HydrophobicContact CG1-CG1 4.2Å; V408-I411 HydrophobicContact CG2-CG1 4.05Å; I411-I413 HydrophobicContact CG2-CG1 4.36Å; I411-I421 HydrophobicContact CB-CD1 4.33Å; I411-I421 HydrophobicContact CD1-CD1 4.2Å; I411-I421 HydrophobicContact CD1-CG2 3.57Å; I411-I421 HydrophobicContact CG2-CD1 3.65Å; I411-L423 HydrophobicContact CD1-CD2 4.21Å; I411-E431 PolarHBondContact N-O 2.97Å; I411-I432 HydrophobicContact CB-CD1 3.91Å; I411-I432 HydrophobicContact CD1-CD1 4.23Å; I411-I432 HydrophobicContact CG1-CD1 4.44Å; I411-I432 WeakPolarHBondContact O-CA 3.47Å; I411-V433 PolarHBondContact O-N 3.41Å
412	S	98.3	Very high	97.6	Very high	22 Å²	22	38 Å²	38	15%	0.154	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	129.8	178.8	177	0	0	0	0	110.8	V392 E393 V394 V433	V392-S412 PolarHBondContact O-N 2.91Å; E393-S412 CarbonylContact C-O 3.57Å; E393-S412 WeakPolarHBondContact CA-O 3.27Å; V394-S412 PolarHBondContact N-O 3.36Å; S412-V433 CarbonylContact C-O 3.59Å; S412-V433 WeakPolarHBondContact CA-O 3.37Å
413	I	98.3	Very high	97.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	104.5	-177.5	-47	170.9	0	0	0	109.2	I411 T416 C419 I421 I432 V433 S434 A435 S437 M440	I411-I413 HydrophobicContact CG2-CG1 4.36Å; I413-T416 HydrophobicContact CG2-CG2 4.15Å; I413-C419 HydrophobicContact CD1-CB 4.4Å; I413-C419 HydrophobicContact CG2-CB 4.2Å; I413-I421 HydrophobicContact CD1-CD1 3.63Å; I413-I421 HydrophobicContact CG1-CD1 4.27Å; I413-I432 HydrophobicContact CD1-CG2 4.24Å; I413-V433 PolarHBondContact N-O 2.97Å; I413-S434 CarbonylContact O-C 3.6Å; I413-S434 VanDerWaalsContact O-CA 3.28Å; I413-S434 WeakPolarHBondContact O-CA 3.46Å; I413-A435 PolarHBondContact O-N 3.02Å; I413-S437 PolarHBondContact O-OG 3.31Å; I413-M440 HydrophobicContact CB-SD 3.97Å; I413-M440 HydrophobicContact CD1-CG 4.13Å; I413-M440 HydrophobicContact CD1-SD 3.81Å; I413-M440 HydrophobicContact CG2-CG 4.28Å; I413-M440 HydrophobicContact CG2-SD 3.81Å
414	N	97.4	Very high	97.5	Very high	65 Å²	65	35.3 Å²	35.3	35%	0.348	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	129.6	-175.9	-170	3.6	0	0	0	111.8	V394 I395 N396 T416 A435	V394-N414 PolarHBondContact O-N 3.5Å; I395-N414 CarbonylContact C-O 3.6Å; I395-N414 VanDerWaalsContact CA-O 3.29Å; I395-N414 WeakPolarHBondContact CA-O 3.27Å; N396-N414 PolarHBondContact N-O 3.13Å; N414-T416 PolarHBondContact O-N 3.37Å; N414-T416 PolarHBondContact O-OG1 2.62Å; N414-A435 CarbonylContact C-O 3.55Å; N414-A435 VanDerWaalsContact CA-O 3.28Å; N414-A435 WeakPolarHBondContact CA-O 3.49Å; N414-A435 PolarHBondContact OD1-O 3.26Å
415	K	96.8	Very high	97.3	Very high	121 Å²	121	42.7 Å²	42.7	53%	0.526	21%	0.207	S	C	.	.	S	Bend	trans	52.9	39.5	175.4	-159.3	-165.8	174.3	-157.1	0	112.4	N396 A435 K436 S437	N396-K415 WeakPolarHBondContact CA-O 3.49Å; N396-K415 HydrophobicContact CB-CD 4.22Å; N396-K415 PolarHBondContact N-O 3.44Å; N396-K415 WeakPolarHBondContact OD1-CD 3.35Å; N396-K415 WeakPolarHBondContact OD1-CE 3.39Å; N396-K415 PolarHBondContact OD1-NZ 3Å; K415-A435 PolarHBondContact N-O 2.66Å; K415-K436 VanDerWaalsContact CA-O 3.25Å; K415-K436 WeakPolarHBondContact CA-O 3.33Å; K415-S437 PolarHBondContact N-OG 2.97Å; K415-S437 VanDerWaalsContact N-OG 3.1Å
416	T	97.4	Very high	97.2	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.012	21%	0.213	C	C	.	.			trans	-122.3	139.9	-173.7	-64.9	0	0	0	0	110.6	V394 S397 I400 I413 N414 C419 S437 S438	V394-T416 HydrophobicContact CG1-CG2 3.78Å; V394-T416 PolarHBondContact O-OG1 2.93Å; S397-T416 PolarHBondContact N-OG1 3.48Å; S397-T416 VanDerWaalsContact O-CA 3.23Å; S397-T416 WeakPolarHBondContact O-CA 3.47Å; S397-T416 WeakPolarHBondContact O-CG2 3.35Å; I400-T416 HydrophobicContact CG1-CG2 4.34Å; I413-T416 HydrophobicContact CG2-CG2 4.15Å; N414-T416 PolarHBondContact O-N 3.37Å; N414-T416 PolarHBondContact O-OG1 2.62Å; T416-C419 HydrophobicContact CG2-CB 4.19Å; T416-S437 PolarHBondContact N-OG 2.99Å; T416-S437 VanDerWaalsContact N-OG 3.13Å; T416-S437 CarbonylContact O-C 3.59Å; T416-S437 WeakPolarHBondContact O-CA 3.39Å; T416-S437 WeakPolarHBondContact O-CB 3.27Å; T416-S438 PolarHBondContact O-N 3.11Å
417	E	97.4	Very high	97.2	Very high	88 Å²	88	43.1 Å²	43.1	41%	0.411	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	121.3	-179.4	-179.5	-169	126.8	0	0	109.6	S397 Q398 D399 S438	S397-E417 PolarHBondContact O-N 2.97Å; S397-E417 VanDerWaalsContact O-N 3.1Å; Q398-E417 CarbonylContact C-O 3.56Å; Q398-E417 WeakPolarHBondContact CA-O 3.42Å; Q398-E417 HydrophobicContact CG-CB 4.38Å; Q398-E417 PolarHBondContact NE2-OE1 2.97Å; D399-E417 PolarHBondContact N-O 3.4Å; E417-S438 CarbonylContact C-O 3.54Å; E417-S438 WeakPolarHBondContact CA-O 3.03Å
418	G	95.7	Very high	97.1	Very high	6 Å²	6	41.6 Å²	41.6	6%	0.062	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	75.5	90.5	-176.7	0	0	0	0	0	111.2	D399 I400 S438 E439	D399-G418 CarbonylContact C-O 3.55Å; D399-G418 VanDerWaalsContact CA-O 3.24Å; D399-G418 WeakPolarHBondContact CA-O 3.41Å; D399-G418 PolarHBondContact N-O 3.38Å; D399-G418 VanDerWaalsContact N-O 3.14Å; I400-G418 PolarHBondContact N-O 2.87Å; G418-S438 PolarHBondContact N-O 3.21Å; G418-E439 WeakPolarHBondContact CA-O 3.44Å
419	C	97.5	Very high	97	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	113.3	179.1	-167.8	0	0	0	0	110.3	I400 I413 T416 E439 M440 N441	I400-C419 CarbonylContact O-C 3.49Å; I400-C419 WeakPolarHBondContact O-CA 3.44Å; I413-C419 HydrophobicContact CD1-CB 4.4Å; I413-C419 HydrophobicContact CG2-CB 4.2Å; T416-C419 HydrophobicContact CG2-CB 4.19Å; C419-E439 PolarHBondContact N-O 2.87Å; C419-M440 HydrophobicContact CB-CG 4.34Å; C419-M440 WeakPolarHBondContact O-CA 3.34Å; C419-N441 PolarHBondContact O-N 3.03Å
420	H	98	Very high	96.9	Very high	44 Å²	44	44.3 Å²	44.3	20%	0.204	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	122.5	177.7	-65.9	-96.8	0	0	0	110	I400 Q401 I402 Y422 N441 L443 E452	I400-H420 PolarHBondContact O-N 3.43Å; Q401-H420 CarbonylContact C-O 3.56Å; Q401-H420 WeakPolarHBondContact CA-O 3.5Å; Q401-H420 HydrophobicContact CG-CB 4.44Å; I402-H420 PolarHBondContact N-O 2.99Å; H420-Y422 HydrophobicContact CB-CE2 3.96Å; H420-N441 WeakPolarHBondContact CA-O 3.44Å; H420-N441 PolarHBondContact CE1-ND2 3.41Å; H420-L443 HydrophobicContact CB-CD1 3.88Å; H420-E452 IonicContact CE1-OE1 2.72Å; H420-E452 PolarHBondContact CE1-OE1 3.21Å; H420-E452 IonicContact ND1-OE1 3.72Å; H420-E452 PolarHBondContact ND1-OE1 2.87Å
421	I	98.3	Very high	96.9	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	112.7	-177.9	-61.2	170.5	0	0	0	109.3	I402 I411 I413 L423 I432 N441 I442 L443	I402-I421 HydrophobicContact CB-CG1 4.38Å; I402-I421 CarbonylContact O-C 3.48Å; I402-I421 WeakPolarHBondContact O-CA 3.4Å; I411-I421 HydrophobicContact CB-CD1 4.33Å; I411-I421 HydrophobicContact CD1-CD1 4.2Å; I411-I421 HydrophobicContact CD1-CG2 3.57Å; I411-I421 HydrophobicContact CG2-CD1 3.65Å; I413-I421 HydrophobicContact CD1-CD1 3.63Å; I413-I421 HydrophobicContact CG1-CD1 4.27Å; I421-L423 HydrophobicContact CG2-CD2 3.68Å; I421-L423 HydrophobicContact CG2-CG 4.26Å; I421-I432 HydrophobicContact CD1-CD1 4.31Å; I421-N441 PolarHBondContact N-O 3.46Å; I421-I442 HydrophobicContact CB-CD1 3.93Å; I421-I442 HydrophobicContact CD1-CD1 3.73Å; I421-I442 HydrophobicContact CG1-CD1 4.25Å; I421-L443 PolarHBondContact O-N 2.89Å
422	Y	98.3	Very high	96.8	Very high	61 Å²	61	51.4 Å²	51.4	24%	0.239	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	107.3	174.8	-56.7	-103.4	0	0	0	108.7	I402 V404 H420 L443 Y450	I402-Y422 WeakPolarHBondContact O-CD2 3.36Å; I402-Y422 PolarHBondContact O-N 3.33Å; V404-Y422 PolarHBondContact N-O 3.45Å; H420-Y422 HydrophobicContact CB-CE2 3.96Å; Y422-L443 HydrophobicContact CD1-CB 3.85Å; Y422-L443 HydrophobicContact CD1-CD1 4.11Å; Y422-L443 HydrophobicContact CD1-CD2 3.94Å; Y422-L443 HydrophobicContact CD1-CG 4.18Å; Y422-L443 HydrophobicContact CD2-CD1 4.2Å; Y422-L443 HydrophobicContact CE1-CB 4.31Å; Y422-L443 HydrophobicContact CE1-CD1 3.99Å; Y422-L443 HydrophobicContact CE1-CD2 3.52Å; Y422-L443 HydrophobicContact CE1-CG 4.14Å; Y422-L443 HydrophobicContact CE2-CD1 4.04Å; Y422-L443 HydrophobicContact CG-CB 4.24Å; Y422-L443 HydrophobicContact CG-CD1 4.21Å; Y422-Y450 HydrophobicContact CD1-CD1 4.26Å; Y422-Y450 HydrophobicContact CD1-CD2 4.15Å; Y422-Y450 HydrophobicContact CD1-CE1 4.36Å; Y422-Y450 HydrophobicContact CD1-CE2 4.26Å; Y422-Y450 HydrophobicContact CD1-CG 4.14Å
423	L	97.6	Very high	96.7	Very high	5 Å²	5	54 Å²	54	3%	0.026	27%	0.27	C	S	.	.			trans	-81.6	155.8	178.3	-63.3	-175.7	0	0	0	111.4	V404 I411 I421 A427 C430 I442 L443 I444 P445 Y450	V404-L423 HydrophobicContact CG2-CD2 4Å; I411-L423 HydrophobicContact CD1-CD2 4.21Å; I421-L423 HydrophobicContact CG2-CD2 3.68Å; I421-L423 HydrophobicContact CG2-CG 4.26Å; L423-A427 HydrophobicContact CD2-CB 4.4Å; L423-C430 HydrophobicContact CD1-CB 4.48Å; L423-C430 HydrophobicContact CD2-CB 4.33Å; L423-I442 HydrophobicContact CD1-CG2 3.81Å; L423-I442 HydrophobicContact CG-CG2 4.1Å; L423-L443 PolarHBondContact N-O 2.85Å; L423-I444 HydrophobicContact CD1-CD1 3.69Å; L423-I444 HydrophobicContact CG-CD1 4.42Å; L423-P445 WeakPolarHBondContact O-CD 3.41Å; L423-Y450 WeakPolarHBondContact O-CE1 3.36Å; L423-Y450 PolarHBondContact O-OH 2.82Å
424	S	96.8	Very high	96.6	Very high	11 Å²	11	56.1 Å²	56.1	8%	0.077	29%	0.285	C	S	.	.			trans	-88.8	168.1	166.3	67.7	0	0	0	0	110.1	V404 G406 D426 A427	V404-S424 WeakPolarHBondContact O-CB 3.49Å; G406-S424 PolarHBondContact O-OG 3.28Å; S424-D426 PolarHBondContact O-N 3.18Å; S424-D426 PolarHBondContact OG-N 3.03Å; S424-A427 PolarHBondContact O-N 3.38Å; S424-A427 WeakPolarHBondContact OG-CB 3.48Å; S424-A427 PolarHBondContact OG-N 2.93Å; S424-A427 VanDerWaalsContact OG-N 3.13Å
425	E	95	Very high	96.4	Very high	157 Å²	157	55.3 Å²	55.3	73%	0.734	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-59.6	-27.5	169.3	-63.2	-175.6	171.5	0	0	112.3	L428 P445	E425-L428 WeakPolarHBondContact O-CG 3.48Å; E425-P445 HydrophobicContact CG-CG 4.12Å
426	D	95.1	Very high	96.2	Very high	113 Å²	113	58.5 Å²	58.5	60%	0.604	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-85.3	-5.3	-179.5	-71.6	-25.9	0	0	0	114	R407 S424	R407-D426 WeakPolarHBondContact CG-O 3.3Å; S424-D426 PolarHBondContact O-N 3.18Å; S424-D426 PolarHBondContact OG-N 3.03Å
427	A	95.2	Very high	96.1	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-119.5	17.6	-176.6	0	0	0	0	0	113.2	V404 V408 L423 S424 D429 C430	V404-A427 HydrophobicContact CG1-CB 4.01Å; V408-A427 HydrophobicContact CG1-CB 4.19Å; L423-A427 HydrophobicContact CD2-CB 4.4Å; S424-A427 PolarHBondContact O-N 3.38Å; S424-A427 WeakPolarHBondContact OG-CB 3.48Å; S424-A427 PolarHBondContact OG-N 2.93Å; S424-A427 VanDerWaalsContact OG-N 3.13Å; A427-D429 PolarHBondContact O-N 2.96Å; A427-C430 WeakPolarHBondContact O-CB 3.35Å; A427-C430 PolarHBondContact O-N 2.98Å
428	L	95.3	Very high	96	Very high	100 Å²	100	56.9 Å²	56.9	52%	0.524	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-19.7	178.8	-63.7	179.2	0	0	0	113.5	E425 C430 I444 P445	E425-L428 WeakPolarHBondContact O-CG 3.48Å; L428-C430 VanDerWaalsContact C-N 3.27Å; L428-I444 HydrophobicContact CD2-CD1 4.39Å; L428-I444 HydrophobicContact CD2-CG2 3.75Å; L428-P445 HydrophobicContact CD2-CG 4.41Å
429	D	94.2	Very high	95.9	Very high	91 Å²	91	62.1 Å²	62.1	49%	0.487	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	6.7	173.7	68.1	-31.9	0	0	0	113.4	R407 A427 E431	R407-D429 IonicContact CZ-OD2 2.8Å; R407-D429 IonicContact NE-OD1 3.43Å; R407-D429 IonicContact NE-OD2 3.45Å; R407-D429 IonicContact NH2-OD2 2.62Å; R407-D429 PolarHBondContact NH2-OD2 3.48Å; A427-D429 PolarHBondContact O-N 2.96Å; D429-E431 PolarHBondContact O-N 3.25Å
430	C	96.5	Very high	95.8	Very high	15 Å²	15	62.2 Å²	62.2	10%	0.101	32%	0.323	C	S	.	.			trans	-65	126.7	179.3	179.8	0	0	0	0	111.8	V408 P409 L423 A427 L428	V408-C430 HydrophobicContact CG1-CB 4.37Å; V408-C430 WeakPolarHBondContact O-CB 3.35Å; P409-C430 WeakPolarHBondContact O-CA 3.44Å; L423-C430 HydrophobicContact CD1-CB 4.48Å; L423-C430 HydrophobicContact CD2-CB 4.33Å; A427-C430 WeakPolarHBondContact O-CB 3.35Å; A427-C430 PolarHBondContact O-N 2.98Å; L428-C430 VanDerWaalsContact C-N 3.27Å
431	E	97.5	Very high	95.7	Very high	129 Å²	129	61.5 Å²	61.5	60%	0.603	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.6	130.5	172.3	-66	-176.8	168.8	0	0	110.7	P409 T410 I411 D429	P409-E431 PolarHBondContact O-N 3.36Å; T410-E431 CarbonylContact C-O 3.5Å; T410-E431 WeakPolarHBondContact CA-O 3.09Å; T410-E431 HydrophobicContact CG2-CB 4.39Å; I411-E431 PolarHBondContact N-O 2.97Å; D429-E431 PolarHBondContact O-N 3.25Å
432	I	96.6	Very high	95.7	Very high	50 Å²	50	62.3 Å²	62.3	26%	0.256	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	121.4	174.9	-51.8	-58.8	0	0	0	109	I411 I413 I421 I442 V455	I411-I432 HydrophobicContact CB-CD1 3.91Å; I411-I432 HydrophobicContact CD1-CD1 4.23Å; I411-I432 HydrophobicContact CG1-CD1 4.44Å; I411-I432 WeakPolarHBondContact O-CA 3.47Å; I413-I432 HydrophobicContact CD1-CG2 4.24Å; I421-I432 HydrophobicContact CD1-CD1 4.31Å; I432-I442 HydrophobicContact CD1-CD1 4Å; I432-I442 HydrophobicContact CG1-CD1 3.88Å; I432-I442 HydrophobicContact CG1-CG1 4.22Å; I432-I442 HydrophobicContact CG2-CD1 4.14Å; I432-V455 HydrophobicContact CG2-CG2 4.45Å
433	V	96.6	Very high	95.6	Very high	76 Å²	76	60 Å²	60	46%	0.461	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	123.9	177.3	-177.5	0	0	0	0	108.5	T410 I411 S412 I413	T410-V433 HydrophobicContact CG2-CG2 4.23Å; I411-V433 PolarHBondContact O-N 3.41Å; S412-V433 CarbonylContact C-O 3.59Å; S412-V433 WeakPolarHBondContact CA-O 3.37Å; I413-V433 PolarHBondContact N-O 2.97Å
434	S	95.4	Very high	95.6	Very high	45 Å²	45	62 Å²	62	32%	0.315	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	143.9	-178.1	59.3	0	0	0	0	112.7	I413 M440	I413-S434 CarbonylContact O-C 3.6Å; I413-S434 VanDerWaalsContact O-CA 3.28Å; I413-S434 WeakPolarHBondContact O-CA 3.46Å; S434-M440 VanDerWaalsContact CB-SD 3.51Å
435	A	92.4	Very high	95.5	Very high	47 Å²	47	62.9 Å²	62.9	39%	0.388	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	128.9	174.7	0	0	0	0	0	111.4	I413 N414 K415 S437	I413-A435 PolarHBondContact O-N 3.02Å; N414-A435 CarbonylContact C-O 3.55Å; N414-A435 VanDerWaalsContact CA-O 3.28Å; N414-A435 WeakPolarHBondContact CA-O 3.49Å; N414-A435 PolarHBondContact OD1-O 3.26Å; K415-A435 PolarHBondContact N-O 2.66Å; A435-S437 PolarHBondContact O-N 3Å; A435-S437 VanDerWaalsContact O-N 3.17Å; A435-S437 PolarHBondContact O-OG 2.99Å; A435-S437 VanDerWaalsContact O-OG 3.09Å
436	K	92.6	Very high	95.3	Very high	189 Å²	189	60.1 Å²	60.1	82%	0.822	32%	0.319	S	S	*	.	S	Bend	trans	53.2	34.5	177.7	-56.2	-177.5	175.8	-178.1	0	113.7	K415	K415-K436 VanDerWaalsContact CA-O 3.25Å; K415-K436 WeakPolarHBondContact CA-O 3.33Å
437	S	95.4	Very high	94.9	Very high	15 Å²	15	62.3 Å²	62.3	11%	0.105	33%	0.331	C	S	.	.			trans	-120.5	153.8	-176.2	-60.4	0	0	0	0	109.7	I413 K415 T416 A435 M440	I413-S437 PolarHBondContact O-OG 3.31Å; K415-S437 PolarHBondContact N-OG 2.97Å; K415-S437 VanDerWaalsContact N-OG 3.1Å; T416-S437 PolarHBondContact N-OG 2.99Å; T416-S437 VanDerWaalsContact N-OG 3.13Å; T416-S437 CarbonylContact O-C 3.59Å; T416-S437 WeakPolarHBondContact O-CA 3.39Å; T416-S437 WeakPolarHBondContact O-CB 3.27Å; A435-S437 PolarHBondContact O-N 3Å; A435-S437 VanDerWaalsContact O-N 3.17Å; A435-S437 PolarHBondContact O-OG 2.99Å; A435-S437 VanDerWaalsContact O-OG 3.09Å; S437-M440 WeakPolarHBondContact CB-SD 3.33Å
438	S	95.1	Very high	94.3	Very high	41 Å²	41	66.6 Å²	66.6	29%	0.287	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	162	-179	58	0	0	0	0	112.2	T416 E417 G418 E457	T416-S438 PolarHBondContact O-N 3.11Å; E417-S438 CarbonylContact C-O 3.54Å; E417-S438 WeakPolarHBondContact CA-O 3.03Å; G418-S438 PolarHBondContact N-O 3.21Å; S438-E457 VanDerWaalsContact CA-CD 3.46Å; S438-E457 VanDerWaalsContact CA-OE2 3.23Å; S438-E457 WeakPolarHBondContact CA-OE2 3.48Å; S438-E457 WeakPolarHBondContact CB-OE2 3.45Å
439	E	94.4	Very high	94.1	Very high	115 Å²	115	67.5 Å²	67.5	54%	0.537	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	56	48.8	-177.4	-58.8	174.2	-146.3	0	0	112.1	G418 C419 E457	G418-E439 WeakPolarHBondContact CA-O 3.44Å; C419-E439 PolarHBondContact N-O 2.87Å; E439-E457 WeakPolarHBondContact CA-OE1 3.03Å; E439-E457 VanDerWaalsContact N-CD 3.31Å; E439-E457 PolarHBondContact N-OE1 3.1Å; E439-E457 PolarHBondContact N-OE2 3.39Å
440	M	96.1	Very high	94.1	Very high	3 Å²	3	67 Å²	67	2%	0.015	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	124	-178.7	-65.9	176.8	-65.2	0	0	111.4	I413 C419 S434 S437 V455 E457	I413-M440 HydrophobicContact CB-SD 3.97Å; I413-M440 HydrophobicContact CD1-CG 4.13Å; I413-M440 HydrophobicContact CD1-SD 3.81Å; I413-M440 HydrophobicContact CG2-CG 4.28Å; I413-M440 HydrophobicContact CG2-SD 3.81Å; C419-M440 HydrophobicContact CB-CG 4.34Å; C419-M440 WeakPolarHBondContact O-CA 3.34Å; S434-M440 VanDerWaalsContact CB-SD 3.51Å; S437-M440 WeakPolarHBondContact CB-SD 3.33Å; M440-V455 HydrophobicContact CB-CB 3.9Å; M440-V455 HydrophobicContact CB-CG2 3.99Å; M440-V455 HydrophobicContact CE-CB 4.2Å; M440-V455 HydrophobicContact CE-CG1 4.05Å; M440-V455 PolarHBondContact O-N 3.25Å; M440-E457 HydrophobicContact CE-CG 3.78Å; M440-E457 PolarHBondContact N-OE1 3.34Å; M440-E457 VanDerWaalsContact N-OE1 3.08Å
441	N	96.1	Very high	94.1	Very high	29 Å²	29	73 Å²	73	16%	0.155	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	132.2	-179.5	-69.9	-66.3	0	0	0	111.5	C419 H420 I421 E452 P454	C419-N441 PolarHBondContact O-N 3.03Å; H420-N441 WeakPolarHBondContact CA-O 3.44Å; H420-N441 PolarHBondContact CE1-ND2 3.41Å; I421-N441 PolarHBondContact N-O 3.46Å; N441-E452 HydrophobicContact CB-CG 3.82Å; N441-E452 WeakPolarHBondContact CB-OE1 3.21Å; N441-E452 PolarHBondContact ND2-OE1 2.85Å; N441-E452 PolarHBondContact OD1-OE1 3.09Å; N441-P454 WeakPolarHBondContact OD1-CA 3.45Å
442	I	97.3	Very high	94	Very high	16 Å²	16	71.5 Å²	71.5	8%	0.082	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	121.7	174.5	-46.9	-56.4	0	0	0	108.3	I421 L423 I432 I444 F453 V455	I421-I442 HydrophobicContact CB-CD1 3.93Å; I421-I442 HydrophobicContact CD1-CD1 3.73Å; I421-I442 HydrophobicContact CG1-CD1 4.25Å; L423-I442 HydrophobicContact CD1-CG2 3.81Å; L423-I442 HydrophobicContact CG-CG2 4.1Å; I432-I442 HydrophobicContact CD1-CD1 4Å; I432-I442 HydrophobicContact CG1-CD1 3.88Å; I432-I442 HydrophobicContact CG1-CG1 4.22Å; I432-I442 HydrophobicContact CG2-CD1 4.14Å; I442-I444 HydrophobicContact CG2-CD1 3.73Å; I442-I444 HydrophobicContact CG2-CG1 4.49Å; I442-F453 PolarHBondContact N-O 3.33Å; I442-F453 PolarHBondContact O-N 3.49Å; I442-V455 HydrophobicContact CD1-CG2 3.96Å; I442-V455 HydrophobicContact CG1-CG2 3.68Å
443	L	97.4	Very high	93.9	Very high	13 Å²	13	73 Å²	73	7%	0.068	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	113.2	-179.9	-65.1	103.8	0	0	0	108.9	H420 I421 Y422 L423 Y450 R451 E452	H420-L443 HydrophobicContact CB-CD1 3.88Å; I421-L443 PolarHBondContact O-N 2.89Å; Y422-L443 HydrophobicContact CD1-CB 3.85Å; Y422-L443 HydrophobicContact CD1-CD1 4.11Å; Y422-L443 HydrophobicContact CD1-CD2 3.94Å; Y422-L443 HydrophobicContact CD1-CG 4.18Å; Y422-L443 HydrophobicContact CD2-CD1 4.2Å; Y422-L443 HydrophobicContact CE1-CB 4.31Å; Y422-L443 HydrophobicContact CE1-CD1 3.99Å; Y422-L443 HydrophobicContact CE1-CD2 3.52Å; Y422-L443 HydrophobicContact CE1-CG 4.14Å; Y422-L443 HydrophobicContact CE2-CD1 4.04Å; Y422-L443 HydrophobicContact CG-CB 4.24Å; Y422-L443 HydrophobicContact CG-CD1 4.21Å; L423-L443 PolarHBondContact N-O 2.85Å; L443-Y450 HydrophobicContact CB-CD1 3.79Å; L443-Y450 HydrophobicContact CB-CG 4.19Å; L443-R451 WeakPolarHBondContact CA-O 3.22Å; L443-E452 HydrophobicContact CD2-CB 4.42Å; L443-E452 HydrophobicContact CG-CB 4.47Å; L443-E452 HydrophobicContact CG-CG 4.39Å
444	I	96.4	Very high	93.8	Very high	47 Å²	47	72.4 Å²	72.4	24%	0.241	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	128.3	-177.4	-55.5	-60.2	0	0	0	108.9	L423 L428 I442 Q446 Y450 R451 F453	L423-I444 HydrophobicContact CD1-CD1 3.69Å; L423-I444 HydrophobicContact CG-CD1 4.42Å; L428-I444 HydrophobicContact CD2-CD1 4.39Å; L428-I444 HydrophobicContact CD2-CG2 3.75Å; I442-I444 HydrophobicContact CG2-CD1 3.73Å; I442-I444 HydrophobicContact CG2-CG1 4.49Å; I444-Q446 PolarHBondContact O-N 3.4Å; I444-Y450 WeakPolarHBondContact O-CA 3.38Å; I444-R451 PolarHBondContact N-O 3.33Å; I444-R451 PolarHBondContact O-N 3.24Å; I444-F453 HydrophobicContact CB-CD2 4.17Å; I444-F453 HydrophobicContact CB-CE2 3.88Å; I444-F453 HydrophobicContact CG1-CD2 3.59Å; I444-F453 HydrophobicContact CG1-CE2 3.7Å
445	P	94.8	Very high	93.7	Very high	30 Å²	30	71.3 Å²	71.3	20%	0.195	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	130.9	178	26.7	-33	0	0	0	110.9	L423 E425 L428 D449 Y450	L423-P445 WeakPolarHBondContact O-CD 3.41Å; E425-P445 HydrophobicContact CG-CG 4.12Å; L428-P445 HydrophobicContact CD2-CG 4.41Å; P445-D449 CarbonylContact C-O 3.52Å; P445-D449 WeakPolarHBondContact CA-O 3.24Å; P445-Y450 HydrophobicContact CB-CD1 4.39Å; P445-Y450 HydrophobicContact CB-CE1 3.99Å; P445-Y450 HydrophobicContact CG-CE1 4.45Å
446	Q	91.6	Very high	93.6	Very high	98 Å²	98	71 Å²	71	46%	0.458	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	123.4	177.3	-174.1	174.5	0.5	0	0	110.1	I444 G448 D449	I444-Q446 PolarHBondContact O-N 3.4Å; Q446-G448 PolarHBondContact O-N 3.05Å; Q446-G448 VanDerWaalsContact O-N 3.1Å; Q446-D449 PolarHBondContact N-O 3Å; Q446-D449 CarbonylContact O-C 3.49Å; Q446-D449 PolarHBondContact O-N 3.02Å; Q446-D449 VanDerWaalsContact O-O 3.06Å
447	D	87	Confident	93.4	Very high	159 Å²	159	65.8 Å²	65.8	85%	0.85	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	32.5	173.8	-59.3	-49.4	0	0	0	115.2	D449	D447-D449 VanDerWaalsContact C-N 3.35Å
448	G	82.6	Confident	92.9	Very high	91 Å²	91	72.3 Å²	72.3	94%	0.938	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.9	4.8	-179.6	0	0	0	0	0	115.1	Q446	Q446-G448 PolarHBondContact O-N 3.05Å; Q446-G448 VanDerWaalsContact O-N 3.1Å
449	D	91.2	Very high	92.8	Very high	119 Å²	119	75.8 Å²	75.8	64%	0.636	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.9	-178.1	170.6	-157.2	-3.9	0	0	0	110.4	P445 Q446 D447	P445-D449 CarbonylContact C-O 3.52Å; P445-D449 WeakPolarHBondContact CA-O 3.24Å; Q446-D449 PolarHBondContact N-O 3Å; Q446-D449 CarbonylContact O-C 3.49Å; Q446-D449 PolarHBondContact O-N 3.02Å; Q446-D449 VanDerWaalsContact O-O 3.06Å; D447-D449 VanDerWaalsContact C-N 3.35Å
450	Y	93.8	Very high	92.7	Very high	81 Å²	81	75.9 Å²	75.9	32%	0.318	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	131.7	175.9	-78.2	-81.4	0	0	0	111.5	Y422 L423 L443 I444 P445	Y422-Y450 HydrophobicContact CD1-CD1 4.26Å; Y422-Y450 HydrophobicContact CD1-CD2 4.15Å; Y422-Y450 HydrophobicContact CD1-CE1 4.36Å; Y422-Y450 HydrophobicContact CD1-CE2 4.26Å; Y422-Y450 HydrophobicContact CD1-CG 4.14Å; L423-Y450 WeakPolarHBondContact O-CE1 3.36Å; L423-Y450 PolarHBondContact O-OH 2.82Å; L443-Y450 HydrophobicContact CB-CD1 3.79Å; L443-Y450 HydrophobicContact CB-CG 4.19Å; I444-Y450 WeakPolarHBondContact O-CA 3.38Å; P445-Y450 HydrophobicContact CB-CD1 4.39Å; P445-Y450 HydrophobicContact CB-CE1 3.99Å; P445-Y450 HydrophobicContact CG-CE1 4.45Å
451	R	95.8	Very high	92.6	Very high	140 Å²	140	79.3 Å²	79.3	53%	0.528	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	126.8	168.5	-173.9	173.6	176.1	-171.6	0.8	110	L443 I444 F453	L443-R451 WeakPolarHBondContact CA-O 3.22Å; I444-R451 PolarHBondContact N-O 3.33Å; I444-R451 PolarHBondContact O-N 3.24Å; R451-F453 HydrophobicContact CB-CE2 3.82Å; R451-F453 HydrophobicContact CB-CZ 4.41Å; R451-F453 HydrophobicContact CG-CD2 4.34Å; R451-F453 HydrophobicContact CG-CE2 3.59Å; R451-F453 HydrophobicContact CG-CZ 3.81Å; R451-F453 VanDerWaalsContact O-CD2 3.29Å; R451-F453 WeakPolarHBondContact O-CD2 3.49Å
452	E	94.6	Very high	92.6	Very high	97 Å²	97	80.2 Å²	80.2	45%	0.453	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	134.2	-178.5	-169.8	168.4	-154.5	0	0	111.7	H420 N441 L443	H420-E452 IonicContact CE1-OE1 2.72Å; H420-E452 PolarHBondContact CE1-OE1 3.21Å; H420-E452 IonicContact ND1-OE1 3.72Å; H420-E452 PolarHBondContact ND1-OE1 2.87Å; N441-E452 HydrophobicContact CB-CG 3.82Å; N441-E452 WeakPolarHBondContact CB-OE1 3.21Å; N441-E452 PolarHBondContact ND2-OE1 2.85Å; N441-E452 PolarHBondContact OD1-OE1 3.09Å; L443-E452 HydrophobicContact CD2-CB 4.42Å; L443-E452 HydrophobicContact CG-CB 4.47Å; L443-E452 HydrophobicContact CG-CG 4.39Å
453	F	94.9	Very high	92.5	Very high	82 Å²	82	87.3 Å²	87.3	36%	0.36	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	114	177.3	-65.8	-91.6	0	0	0	109.7	I442 I444 R451	I442-F453 PolarHBondContact N-O 3.33Å; I442-F453 PolarHBondContact O-N 3.49Å; I444-F453 HydrophobicContact CB-CD2 4.17Å; I444-F453 HydrophobicContact CB-CE2 3.88Å; I444-F453 HydrophobicContact CG1-CD2 3.59Å; I444-F453 HydrophobicContact CG1-CE2 3.7Å; R451-F453 HydrophobicContact CB-CE2 3.82Å; R451-F453 HydrophobicContact CB-CZ 4.41Å; R451-F453 HydrophobicContact CG-CD2 4.34Å; R451-F453 HydrophobicContact CG-CE2 3.59Å; R451-F453 HydrophobicContact CG-CZ 3.81Å; R451-F453 VanDerWaalsContact O-CD2 3.29Å; R451-F453 WeakPolarHBondContact O-CD2 3.49Å
454	P	94.2	Very high	92.3	Very high	63 Å²	63	90.2 Å²	90.2	41%	0.409	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	138.9	177.5	28.6	-33.8	0	0	0	110.9	N441 I475	N441-P454 WeakPolarHBondContact OD1-CA 3.45Å; P454-I475 HydrophobicContact CG-CG2 4.27Å
455	V	93.4	Very high	92.2	Very high	22 Å²	22	90.6 Å²	90.6	13%	0.133	48%	0.48	C	S	.	.	P	Polyproline II helix	trans	-79.3	135.6	171.8	-178.5	0	0	0	0	108.8	I432 M440 I442 E457	I432-V455 HydrophobicContact CG2-CG2 4.45Å; M440-V455 HydrophobicContact CB-CB 3.9Å; M440-V455 HydrophobicContact CB-CG2 3.99Å; M440-V455 HydrophobicContact CE-CB 4.2Å; M440-V455 HydrophobicContact CE-CG1 4.05Å; M440-V455 PolarHBondContact O-N 3.25Å; I442-V455 HydrophobicContact CD1-CG2 3.96Å; I442-V455 HydrophobicContact CG1-CG2 3.68Å; V455-E457 PolarHBondContact O-N 3.09Å
456	P	91	Very high	92.3	Very high	41 Å²	41	93.4 Å²	93.4	27%	0.266	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-62.1	126.9	176.2	-22.6	31.6	0	0	0	114.6	F459 P472 I475	P456-F459 HydrophobicContact CB-CZ 4.43Å; P456-F459 VanDerWaalsContact O-CZ 3.27Å; P456-F459 WeakPolarHBondContact O-CZ 3.29Å; P456-P472 HydrophobicContact CB-CB 3.75Å; P456-P472 HydrophobicContact CB-CG 4.28Å; P456-P472 HydrophobicContact CG-CB 3.97Å; P456-P472 HydrophobicContact CG-CG 4.28Å; P456-I475 VanDerWaalsContact CA-CD1 3.46Å; P456-I475 HydrophobicContact CB-CD1 3.78Å; P456-I475 HydrophobicContact CG-CD1 3.87Å
457	E	87.4	Confident	92.4	Very high	80 Å²	80	94.7 Å²	94.7	37%	0.374	50%	0.504	S	S	.	.			trans	-112.8	-23	179.8	-67.2	168.7	-155	0	0	112.5	S438 E439 M440 V455	S438-E457 VanDerWaalsContact CA-CD 3.46Å; S438-E457 VanDerWaalsContact CA-OE2 3.23Å; S438-E457 WeakPolarHBondContact CA-OE2 3.48Å; S438-E457 WeakPolarHBondContact CB-OE2 3.45Å; E439-E457 WeakPolarHBondContact CA-OE1 3.03Å; E439-E457 VanDerWaalsContact N-CD 3.31Å; E439-E457 PolarHBondContact N-OE1 3.1Å; E439-E457 PolarHBondContact N-OE2 3.39Å; M440-E457 HydrophobicContact CE-CG 3.78Å; M440-E457 PolarHBondContact N-OE1 3.34Å; M440-E457 VanDerWaalsContact N-OE1 3.08Å; V455-E457 PolarHBondContact O-N 3.09Å
458	Q	86.4	Confident	92.8	Very high	151 Å²	151	92.8 Å²	92.8	71%	0.706	49%	0.494	S	S	*	.			trans	-102.2	128.9	176	-64.3	-173.6	19.2	0	0	109.8	A473	Q458-A473 HydrophobicContact CB-CB 4.05Å; Q458-A473 PolarHBondContact O-N 3.07Å
459	F	91.5	Very high	93.4	Very high	114 Å²	114	92.2 Å²	92.2	50%	0.5	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	134.7	-179.4	-61.6	-89.2	0	0	0	109.9	P456 T470 E471 P472	P456-F459 HydrophobicContact CB-CZ 4.43Å; P456-F459 VanDerWaalsContact O-CZ 3.27Å; P456-F459 WeakPolarHBondContact O-CZ 3.29Å; F459-T470 HydrophobicContact CB-CG2 3.64Å; F459-T470 HydrophobicContact CD1-CG2 4.12Å; F459-T470 HydrophobicContact CG-CG2 4.19Å; F459-E471 CarbonylContact C-O 3.6Å; F459-E471 WeakPolarHBondContact CA-O 3.39Å; F459-P472 HydrophobicContact CD1-CG 4.44Å; F459-P472 HydrophobicContact CE1-CG 4.23Å
460	K	92.8	Very high	93.5	Very high	117 Å²	117	90.3 Å²	90.3	51%	0.509	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	120.1	171	175.6	172.9	156.2	-127.5	0	108.2	T470 E471	K460-T470 WeakPolarHBondContact O-CA 3.38Å; K460-E471 HydrophobicContact CB-CG 4.14Å; K460-E471 PolarHBondContact N-O 3Å; K460-E471 IonicContact NZ-OE1 2.76Å; K460-E471 PolarHBondContact NZ-OE1 3.31Å; K460-E471 PolarHBondContact O-N 3.28Å
461	T	94.8	Very high	93.4	Very high	76 Å²	76	91 Å²	91	47%	0.466	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	123.8	173.3	-57.5	0	0	0	0	109.7	L468 I469 T470	T461-L468 HydrophobicContact CG2-CB 3.93Å; T461-L468 HydrophobicContact CG2-CD2 4.05Å; T461-L468 HydrophobicContact CG2-CG 4.38Å; T461-I469 CarbonylContact C-O 3.56Å; T461-I469 VanDerWaalsContact CA-O 3.3Å; T461-I469 WeakPolarHBondContact CA-O 3.43Å; T461-T470 WeakPolarHBondContact CG2-OG1 3.27Å; T461-T470 WeakPolarHBondContact OG1-CG2 3.45Å; T461-T470 PolarHBondContact OG1-OG1 3.01Å
462	A	95.2	Very high	93.2	Very high	47 Å²	47	87.8 Å²	87.8	39%	0.388	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	149.7	177.6	0	0	0	0	0	111.1	L468 I469	A462-L468 WeakPolarHBondContact O-CA 3.3Å; A462-I469 PolarHBondContact N-O 3.34Å; A462-I469 PolarHBondContact O-N 3.41Å
463	W	95.9	Very high	92.7	Very high	165 Å²	165	84.6 Å²	84.6	63%	0.625	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.7	122.9	170.9	177.8	-105.1	0	0	0	109.8	G465 S466 K467 L468	W463-G465 VanDerWaalsContact CZ2-C 3.5Å; W463-G465 WeakPolarHBondContact CZ2-O 3.32Å; W463-S466 WeakPolarHBondContact CH2-O 3.48Å; W463-K467 VanDerWaalsContact CE3-C 3.46Å; W463-K467 VanDerWaalsContact CZ3-CA 3.48Å; W463-L468 HydrophobicContact CB-CD2 4.38Å; W463-L468 HydrophobicContact CE3-CD2 4Å; W463-L468 HydrophobicContact CE3-CG 4.25Å
464	D	93.1	Very high	91.5	Very high	74 Å²	74	89.9 Å²	89.9	40%	0.396	48%	0.481	S	S	.	.			trans	-90.2	2.6	-177.7	75.3	-0.6	0	0	0	114.2	S466 K467 I469	D464-S466 WeakPolarHBondContact OD1-CA 3.47Å; D464-S466 PolarHBondContact OD1-N 3.05Å; D464-S466 PolarHBondContact OD1-OG 3.03Å; D464-K467 PolarHBondContact N-O 2.85Å; D464-K467 PolarHBondContact OD1-N 3.28Å; D464-K467 WeakPolarHBondContact OD2-CE 3.4Å; D464-K467 WeakPolarHBondContact OD2-CG 3.5Å; D464-I469 HydrophobicContact CB-CD1 3.68Å; D464-I469 HydrophobicContact CB-CG1 4.12Å; D464-I469 VanDerWaalsContact OD2-CD1 3.27Å; D464-I469 WeakPolarHBondContact OD2-CD1 3.49Å
465	G	94.4	Very high	89.9	Confident	56 Å²	56	90.6 Å²	90.6	58%	0.577	48%	0.48	S	S	*	.	S	Bend	trans	102.9	-16.1	-170	0	0	0	0	0	113.9	W463	W463-G465 VanDerWaalsContact CZ2-C 3.5Å; W463-G465 WeakPolarHBondContact CZ2-O 3.32Å
466	S	96.3	Very high	87.7	Confident	88 Å²	88	98.5 Å²	98.5	62%	0.615	52%	0.518	S	S	*	.	S	Bend	trans	-137.3	-34.9	-176.5	71.5	0	0	0	0	114.7	W463 D464	W463-S466 WeakPolarHBondContact CH2-O 3.48Å; D464-S466 WeakPolarHBondContact OD1-CA 3.47Å; D464-S466 PolarHBondContact OD1-N 3.05Å; D464-S466 PolarHBondContact OD1-OG 3.03Å
467	K	93.4	Very high	85.5	Confident	125 Å²	125	104.1 Å²	104.1	54%	0.543	57%	0.568	S	S	.	*	S	Bend	trans	-148.5	166.3	-178.2	63.1	-178.7	178.1	-178.6	0	110.7	W463 D464 I469	W463-K467 VanDerWaalsContact CE3-C 3.46Å; W463-K467 VanDerWaalsContact CZ3-CA 3.48Å; D464-K467 PolarHBondContact N-O 2.85Å; D464-K467 PolarHBondContact OD1-N 3.28Å; D464-K467 WeakPolarHBondContact OD2-CE 3.4Å; D464-K467 WeakPolarHBondContact OD2-CG 3.5Å; K467-I469 HydrophobicContact CG-CG1 4.34Å
468	L	96.7	Very high	85.4	Confident	120 Å²	120	105.4 Å²	105.4	63%	0.628	58%	0.578	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-80.2	125.6	167.7	-64.3	172.3	0	0	0	108.7	T461 A462 W463	T461-L468 HydrophobicContact CG2-CB 3.93Å; T461-L468 HydrophobicContact CG2-CD2 4.05Å; T461-L468 HydrophobicContact CG2-CG 4.38Å; A462-L468 WeakPolarHBondContact O-CA 3.3Å; W463-L468 HydrophobicContact CB-CD2 4.38Å; W463-L468 HydrophobicContact CE3-CD2 4Å; W463-L468 HydrophobicContact CE3-CG 4.25Å
469	I	95	Very high	85.3	Confident	79 Å²	79	102.9 Å²	102.9	41%	0.405	57%	0.571	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106	128.6	169.5	-60.4	-177.2	0	0	0	107.2	T461 A462 D464 K467	T461-I469 CarbonylContact C-O 3.56Å; T461-I469 VanDerWaalsContact CA-O 3.3Å; T461-I469 WeakPolarHBondContact CA-O 3.43Å; A462-I469 PolarHBondContact N-O 3.34Å; A462-I469 PolarHBondContact O-N 3.41Å; D464-I469 HydrophobicContact CB-CD1 3.68Å; D464-I469 HydrophobicContact CB-CG1 4.12Å; D464-I469 VanDerWaalsContact OD2-CD1 3.27Å; D464-I469 WeakPolarHBondContact OD2-CD1 3.49Å; K467-I469 HydrophobicContact CG-CG1 4.34Å
470	T	93.4	Very high	85	Confident	79 Å²	79	102.3 Å²	102.3	49%	0.485	58%	0.575	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-116.7	126.6	176.9	-59.2	0	0	0	0	109.2	F459 K460 T461	F459-T470 HydrophobicContact CB-CG2 3.64Å; F459-T470 HydrophobicContact CD1-CG2 4.12Å; F459-T470 HydrophobicContact CG-CG2 4.19Å; K460-T470 WeakPolarHBondContact O-CA 3.38Å; T461-T470 WeakPolarHBondContact CG2-OG1 3.27Å; T461-T470 WeakPolarHBondContact OG1-CG2 3.45Å; T461-T470 PolarHBondContact OG1-OG1 3.01Å
471	E	92.1	Very high	84.5	Confident	94 Å²	94	101.5 Å²	101.5	44%	0.439	58%	0.579	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-125.3	149.7	175.1	63.7	-170	171.4	0	0	109.5	F459 K460 A473	F459-E471 CarbonylContact C-O 3.6Å; F459-E471 WeakPolarHBondContact CA-O 3.39Å; K460-E471 HydrophobicContact CB-CG 4.14Å; K460-E471 PolarHBondContact N-O 3Å; K460-E471 IonicContact NZ-OE1 2.76Å; K460-E471 PolarHBondContact NZ-OE1 3.31Å; K460-E471 PolarHBondContact O-N 3.28Å; E471-A473 PolarHBondContact O-N 3.15Å
472	P	90.4	Very high	83.9	Confident	73 Å²	73	103.1 Å²	103.1	47%	0.474	59%	0.586	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-52.8	130.6	164.5	-25.5	36.2	0	0	0	110.1	P456 F459	P456-P472 HydrophobicContact CB-CB 3.75Å; P456-P472 HydrophobicContact CB-CG 4.28Å; P456-P472 HydrophobicContact CG-CB 3.97Å; P456-P472 HydrophobicContact CG-CG 4.28Å; F459-P472 HydrophobicContact CD1-CG 4.44Å; F459-P472 HydrophobicContact CE1-CG 4.23Å
473	A	84.3	Confident	83.1	Confident	31 Å²	31	106.8 Å²	106.8	26%	0.256	60%	0.599	S	S	.	*			trans	-64	139.2	168	0	0	0	0	0	108.1	Q458 E471 I475	Q458-A473 HydrophobicContact CB-CB 4.05Å; Q458-A473 PolarHBondContact O-N 3.07Å; E471-A473 PolarHBondContact O-N 3.15Å; A473-I475 PolarHBondContact O-N 3.45Å
474	E	70.6	Confident	82.2	Confident	193 Å²	193	102.6 Å²	102.6	90%	0.902	60%	0.597	S	S	*	*			trans	-52.6	108.6	180	-78.7	-178.3	170.6	0	0	110.2	M476	E474-M476 PolarHBondContact O-N 3.41Å
475	I	60	Low	81.4	Confident	78 Å²	78	104.8 Å²	104.8	40%	0.4	61%	0.613	S	S	.	*			trans	-82.9	111.8	165.5	-57.2	167.9	0	0	0	104.1	P454 P456 A473 A477	P454-I475 HydrophobicContact CG-CG2 4.27Å; P456-I475 VanDerWaalsContact CA-CD1 3.46Å; P456-I475 HydrophobicContact CB-CD1 3.78Å; P456-I475 HydrophobicContact CG-CD1 3.87Å; A473-I475 PolarHBondContact O-N 3.45Å; I475-A477 VanDerWaalsContact C-N 3.32Å; I475-A477 PolarHBondContact O-N 3.23Å
476	M	47.8	Very low	80.3	Confident	188 Å²	188	108.9 Å²	108.9	93%	0.926	62%	0.616	S	S	*	*			trans	-60	102.6	164.7	-74.9	-177.6	165.4	0	0	106.7	E474	E474-M476 PolarHBondContact O-N 3.41Å
477	A	43.6	Very low	78.8	Confident	159 Å²	159	110.8 Å²	110.8	100%	1.314	62%	0.616	S	S	*	*			trans	-72	0	174.8	0	0	0	0	0	111.4	I475	I475-A477 VanDerWaalsContact C-N 3.32Å; I475-A477 PolarHBondContact O-N 3.23Å

Retrieved 477 of 477 residues in 248 ms (Link to these results)

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