A0A077QP03_HUMAN Loading...

Kell blood group antigen

AlphaFold DB (P23276), UniProt , Accession A0A077QP03, Species HUMAN (Homo sapiens, Human), Gene KEL, Length 732 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	37.3	Very low	39	Very low	246 Å²	246	150.1 Å²	150.1	100%	1.212	84%	0.835	S	S	*	*				0	126	0	-74.5	165.9	177.1	0	0	106.4
2	E	40.5	Very low	38.9	Very low	205 Å²	205	154.6 Å²	154.6	96%	0.958	83%	0.829	S	S	*	*			trans	22.1	110	167.7	-68.6	165.5	173.2	0	0	119.9
3	G	36	Very low	38.7	Very low	83 Å²	83	152.9 Å²	152.9	86%	0.856	81%	0.813	S	S	*	*			trans	-159.3	144.4	149.1	0	0	0	0	0	106.9
4	G	38.3	Very low	38.5	Very low	79 Å²	79	157.9 Å²	157.9	81%	0.814	82%	0.815	S	S	*	*			cis	-178.9	130.7	-3.1	0	0	0	0	0	106
5	D	41.1	Very low	38.2	Very low	142 Å²	142	154.5 Å²	154.5	76%	0.759	81%	0.81	S	S	*	*			trans	-91.2	161.9	-152	-147.6	1.7	0	0	0	115.9
6	Q	38.6	Very low	38.2	Very low	153 Å²	153	156.4 Å²	156.4	72%	0.715	81%	0.814	S	S	*	*			trans	-10	127.4	169.5	-76.1	156.7	78.9	0	0	121.1
7	S	34.9	Very low	38.1	Very low	101 Å²	101	153 Å²	153	71%	0.706	81%	0.814	S	S	*	*				8.7	131.5	127.6	56	0	0	0	0	121
8	E	36.6	Very low	37.8	Very low	188 Å²	188	149.1 Å²	149.1	88%	0.879	82%	0.816	S	S	*	*				-169.4	133.4	120.8	-111.1	-179.7	167	0	0	111.4
9	E	39.9	Very low	37.6	Very low	199 Å²	199	145.5 Å²	145.5	93%	0.93	82%	0.817	S	S	*	*			trans	-156	108.2	146.7	-136.4	174.3	-163.8	0	0	110.4
10	E	37.8	Very low	37.4	Very low	166 Å²	166	148.5 Å²	148.5	78%	0.776	83%	0.827	S	S	*	*			trans	-102.9	-158.6	171.2	-130.2	-154.3	158.2	0	0	107.3
11	P	48.3	Very low	37.3	Very low	89 Å²	89	145.1 Å²	145.1	58%	0.578	83%	0.826	S	S	*	*			cis	-135.6	174.7	-19.9	21.7	2.8	0	0	0	114.2
12	R	37.4	Very low	37.2	Very low	204 Å²	204	139.7 Å²	139.7	77%	0.77	81%	0.807	S	S	*	*				161	135.1	104.9	-87.3	-162.3	178.9	-178.7	2.1	115.9
13	E	35.9	Very low	36.9	Very low	133 Å²	133	136.1 Å²	136.1	62%	0.621	79%	0.794	S	S	*	*			trans	60.2	137.6	146.4	-69.4	-176	-130	0	0	118.5
14	R	37.1	Very low	36.7	Very low	223 Å²	223	143.2 Å²	143.2	84%	0.842	80%	0.795	S	S	*	*			cis	-152.2	152.3	19.5	-130.8	170.8	-146.3	-163.3	-0.2	111
15	S	33.2	Very low	36.6	Very low	106 Å²	106	143.9 Å²	143.9	74%	0.741	79%	0.787	S	S	*	*			trans	-97.9	152.4	174.1	59	0	0	0	0	112
16	Q	38.1	Very low	36.3	Very low	185 Å²	185	144.8 Å²	144.8	86%	0.864	79%	0.786	S	S	*	*				-176.8	136.3	123.5	-102.8	177.8	4.8	0	0	114.5
17	A	36.8	Very low	36.2	Very low	99 Å²	99	145.1 Å²	145.1	82%	0.818	79%	0.788	S	S	*	*			trans	47	126.5	143.5	0	0	0	0	0	121.5
18	G	33.2	Very low	36.3	Very low	83 Å²	83	144.3 Å²	144.3	86%	0.856	78%	0.782	S	S	*	*			trans	-91.9	-163.5	170.9	0	0	0	0	0	115.1
19	G	33.2	Very low	36.4	Very low	81 Å²	81	141.4 Å²	141.4	84%	0.835	78%	0.778	S	S	*	*			trans	159.7	117.5	179.3	0	0	0	0	0	112.7
20	M	33.5	Very low	36.3	Very low	204 Å²	204	138.1 Å²	138.1	100%	1.005	77%	0.774	S	S	*	*			trans	-79	140.9	170.7	-70.5	161.3	90.8	0	0	110.2
21	G	36	Very low	36.5	Very low	79 Å²	79	138.4 Å²	138.4	81%	0.814	78%	0.775	S	S	*	*			trans	-165	140	175.5	0	0	0	0	0	111.7
22	T	34.3	Very low	35.8	Very low	131 Å²	131	143.3 Å²	143.3	80%	0.804	79%	0.79	S	S	*	*			trans	-112	150.3	-161.3	37.4	0	0	0	0	115.8
23	L	33.8	Very low	36	Very low	131 Å²	131	144.4 Å²	144.4	69%	0.686	79%	0.794	S	S	*	*			trans	72.6	120.4	147.9	-92	83.2	0	0	0	121.9
24	W	32.9	Very low	36.4	Very low	232 Å²	232	145.4 Å²	145.4	88%	0.879	80%	0.803	S	S	*	*			trans	77.3	146.4	136.6	-68.1	24.5	0	0	0	117.7
25	S	35.8	Very low	36.5	Very low	92 Å²	92	140.3 Å²	140.3	64%	0.643	80%	0.799	S	S	*	*			cis	-155.4	155.8	13.6	42.3	0	0	0	0	113
26	Q	34.9	Very low	37	Very low	161 Å²	161	141.2 Å²	141.2	75%	0.752	80%	0.8	S	S	*	*			trans	39.8	145.6	147.8	-70.6	170	-69.1	0	0	120.9
27	E	37	Very low	37	Very low	160 Å²	160	141.9 Å²	141.9	75%	0.748	80%	0.803	S	S	*	*			cis	-158.7	-178	9.5	-128.6	173.2	-122.1	0	0	108.6
28	S	36.9	Very low	37.3	Very low	84 Å²	84	139.7 Å²	139.7	59%	0.587	79%	0.79	S	S	*	*			cis	-149.7	161.3	2.5	54.6	0	0	0	0	109.5
29	T	38.9	Very low	38.1	Very low	128 Å²	128	139.5 Å²	139.5	79%	0.785	78%	0.776	S	S	*	*				-178.7	145.8	88	30.3	0	0	0	0	108.7
30	P	38.2	Very low	39.1	Very low	130 Å²	130	146.2 Å²	146.2	84%	0.844	78%	0.776	S	S	*	*			trans	-102	127.1	171.3	34.6	-26.3	0	0	0	111.6
31	E	40.8	Very low	40.2	Very low	171 Å²	171	140.8 Å²	140.8	80%	0.799	76%	0.756	S	S	*	*			trans	-116.9	122.1	163.9	-134.6	-171.4	-169.1	0	0	109.2	R33	E31-R33 PolarHBondContact O-N 2.98Å
32	E	34.3	Very low	41.2	Very low	193 Å²	193	147.1 Å²	147.1	90%	0.902	76%	0.756	S	S	*	*			trans	-65	129	-178.4	-63.8	173.8	113.5	0	0	110.9
33	R	41	Very low	42.6	Very low	226 Å²	226	143.5 Å²	143.5	85%	0.853	74%	0.739	S	S	*	*			trans	-134.1	120.3	158.4	-116.4	-179.3	-81	-157.2	-5	111.6	E31	E31-R33 PolarHBondContact O-N 2.98Å
34	L	44.2	Very low	44.5	Very low	154 Å²	154	141.6 Å²	141.6	81%	0.806	73%	0.732	S	S	*	*			trans	-52.9	151.7	-171.5	-65.9	150.5	0	0	0	114	V36	L34-V36 PolarHBondContact O-N 3.46Å; L34-V36 VanDerWaalsContact O-N 3.14Å
35	P	38.9	Very low	46.6	Very low	117 Å²	117	132.9 Å²	132.9	76%	0.76	71%	0.71	S	S	*	*			trans	-69.4	109.6	171.1	29.8	-32.9	0	0	0	110	E37	P35-E37 PolarHBondContact O-N 3.46Å
36	V	43.5	Very low	48.5	Very low	124 Å²	124	137.6 Å²	137.6	75%	0.752	71%	0.713	S	S	*	*			trans	-77.3	82.7	171.9	-177.6	0	0	0	0	109.4	L34 G38	L34-V36 PolarHBondContact O-N 3.46Å; L34-V36 VanDerWaalsContact O-N 3.14Å; V36-G38 PolarHBondContact O-N 3.33Å
37	E	39.3	Very low	50.7	Low	199 Å²	199	139.1 Å²	139.1	93%	0.93	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	69	170.8	-150.3	164.7	-157.5	0	0	109.7	P35	P35-E37 PolarHBondContact O-N 3.46Å
38	G	42.8	Very low	53	Low	54 Å²	54	135.1 Å²	135.1	56%	0.557	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-159.6	3	-168.6	0	0	0	0	0	117.9	V36	V36-G38 PolarHBondContact O-N 3.33Å
39	S	49.4	Very low	55.3	Low	79 Å²	79	136.3 Å²	136.3	55%	0.552	70%	0.698	S	S	*	*			trans	-121.3	-3.8	-170.8	60.3	0	0	0	0	116.2	W42 A43	S39-W42 PolarHBondContact O-N 3.33Å; S39-A43 PolarHBondContact O-N 3.29Å
40	R	54.2	Low	57.5	Low	221 Å²	221	133.5 Å²	133.5	83%	0.834	68%	0.681	S	S	*	*	H	α-helix	trans	-61.4	-42.5	175.2	-108.5	177.7	172.4	172.5	-2.7	114.2	W42 V44	R40-W42 PolarHBondContact O-N 3.39Å; R40-V44 PolarHBondContact O-N 3.02Å
41	P	56.5	Low	59.9	Low	91 Å²	91	129.8 Å²	129.8	59%	0.591	66%	0.661	S	S	*	*	H	α-helix	trans	-64.1	-40.7	178.7	-22.1	33.4	0	0	0	112.6	V44 A45	P41-V44 PolarHBondContact O-N 3.47Å; P41-A45 VanDerWaalsContact O-CB 3.23Å; P41-A45 WeakPolarHBondContact O-CB 3.47Å; P41-A45 PolarHBondContact O-N 2.91Å
42	W	57.2	Low	62.4	Low	212 Å²	212	126.9 Å²	126.9	80%	0.803	65%	0.65	S	S	*	*	H	α-helix	trans	-68.3	-37.4	-178.6	-94	64.3	0	0	0	113.2	S39 R40 R46	S39-W42 PolarHBondContact O-N 3.33Å; R40-W42 PolarHBondContact O-N 3.39Å; W42-R46 VanDerWaalsContact O-CB 3.22Å; W42-R46 WeakPolarHBondContact O-CB 3.47Å; W42-R46 PolarHBondContact O-N 3.14Å
43	A	64.8	Low	65.1	Low	55 Å²	55	122.8 Å²	122.8	46%	0.455	63%	0.633	S	S	.	*	H	α-helix	trans	-65.7	-39.7	175.1	0	0	0	0	0	112.3	S39 R47	S39-A43 PolarHBondContact O-N 3.29Å; A43-R47 WeakPolarHBondContact O-CG 3.23Å; A43-R47 PolarHBondContact O-N 2.89Å
44	V	73.6	Confident	67.6	Low	90 Å²	90	116.9 Å²	116.9	55%	0.545	62%	0.618	S	S	.	*	H	α-helix	trans	-69.8	-48.6	175.1	176.4	0	0	0	0	110.6	R40 P41 R46 R47 V48	R40-V44 PolarHBondContact O-N 3.02Å; P41-V44 PolarHBondContact O-N 3.47Å; V44-R46 VanDerWaalsContact C-N 3.31Å; V44-R46 PolarHBondContact O-N 2.56Å; V44-R47 PolarHBondContact O-N 2.83Å; V44-R47 VanDerWaalsContact O-N 3.13Å; V44-V48 HydrophobicContact CG1-CG2 4.31Å; V44-V48 WeakPolarHBondContact O-CG2 3.2Å; V44-V48 PolarHBondContact O-N 3.39Å
45	A	76.2	Confident	70	Confident	49 Å²	49	115.2 Å²	115.2	41%	0.405	61%	0.609	S	S	.	*	H	α-helix	trans	-57.5	-42.5	177.7	0	0	0	0	0	112	P41 V48 L49	P41-A45 VanDerWaalsContact O-CB 3.23Å; P41-A45 WeakPolarHBondContact O-CB 3.47Å; P41-A45 PolarHBondContact O-N 2.91Å; A45-V48 PolarHBondContact O-N 2.91Å; A45-L49 WeakPolarHBondContact O-CB 3.3Å; A45-L49 PolarHBondContact O-N 3.12Å
46	R	77.2	Confident	72.6	Confident	191 Å²	191	111.3 Å²	111.3	72%	0.721	59%	0.59	S	S	*	*	H	α-helix	trans	-64.2	-41.4	175.9	-173.2	173	176.3	178.4	-1.4	112.2	W42 V44 L49 T50	W42-R46 VanDerWaalsContact O-CB 3.22Å; W42-R46 WeakPolarHBondContact O-CB 3.47Å; W42-R46 PolarHBondContact O-N 3.14Å; V44-R46 VanDerWaalsContact C-N 3.31Å; V44-R46 PolarHBondContact O-N 2.56Å; R46-L49 PolarHBondContact O-N 2.97Å; R46-T50 PolarHBondContact O-N 3.01Å; R46-T50 PolarHBondContact O-OG1 2.83Å
47	R	81	Confident	75	Confident	193 Å²	193	111.1 Å²	111.1	73%	0.728	58%	0.584	S	S	*	*	H	α-helix	trans	-63.5	-43	174.5	-74.4	179.1	-173	-161.3	2.7	111.8	A43 V44 T50 A51	A43-R47 WeakPolarHBondContact O-CG 3.23Å; A43-R47 PolarHBondContact O-N 2.89Å; V44-R47 PolarHBondContact O-N 2.83Å; V44-R47 VanDerWaalsContact O-N 3.13Å; R47-T50 WeakPolarHBondContact CA-OG1 3.41Å; R47-T50 PolarHBondContact O-N 3.44Å; R47-T50 PolarHBondContact O-OG1 2.87Å; R47-A51 WeakPolarHBondContact O-CB 3.5Å; R47-A51 PolarHBondContact O-N 3.26Å
48	V	84.9	Confident	77.7	Confident	76 Å²	76	106.6 Å²	106.6	46%	0.461	57%	0.566	S	S	.	*	H	α-helix	trans	-63.4	-44.3	175.5	171.6	0	0	0	0	111	V44 A45 T50 A51 I52	V44-V48 HydrophobicContact CG1-CG2 4.31Å; V44-V48 WeakPolarHBondContact O-CG2 3.2Å; V44-V48 PolarHBondContact O-N 3.39Å; A45-V48 PolarHBondContact O-N 2.91Å; V48-T50 PolarHBondContact O-N 3.14Å; V48-A51 PolarHBondContact O-N 2.94Å; V48-I52 HydrophobicContact CG1-CD1 3.73Å; V48-I52 HydrophobicContact CG1-CG1 4.41Å; V48-I52 WeakPolarHBondContact O-CB 3.34Å; V48-I52 VanDerWaalsContact O-CG1 3.29Å; V48-I52 WeakPolarHBondContact O-CG1 3.45Å; V48-I52 PolarHBondContact O-N 2.92Å
49	L	85.1	Confident	80.1	Confident	109 Å²	109	109.2 Å²	109.2	57%	0.571	57%	0.566	S	S	*	*	H	α-helix	trans	-62.2	-43.3	175.6	-111.2	125	0	0	0	112.4	A45 R46 A51 I52 L53	A45-L49 WeakPolarHBondContact O-CB 3.3Å; A45-L49 PolarHBondContact O-N 3.12Å; R46-L49 PolarHBondContact O-N 2.97Å; L49-A51 VanDerWaalsContact C-N 3.34Å; L49-I52 PolarHBondContact O-N 3.35Å; L49-L53 WeakPolarHBondContact O-CB 3.44Å; L49-L53 PolarHBondContact O-N 3.13Å
50	T	85.2	Confident	82.2	Confident	69 Å²	69	109.3 Å²	109.3	42%	0.423	57%	0.566	S	S	.	*	H	α-helix	trans	-65.3	-37	174.1	44.6	0	0	0	0	112.4	R46 R47 V48 L53 I54	R46-T50 PolarHBondContact O-N 3.01Å; R46-T50 PolarHBondContact O-OG1 2.83Å; R47-T50 WeakPolarHBondContact CA-OG1 3.41Å; R47-T50 PolarHBondContact O-N 3.44Å; R47-T50 PolarHBondContact O-OG1 2.87Å; V48-T50 PolarHBondContact O-N 3.14Å; T50-L53 PolarHBondContact O-N 3.45Å; T50-I54 WeakPolarHBondContact O-CB 3.44Å; T50-I54 WeakPolarHBondContact O-CD1 3.34Å; T50-I54 VanDerWaalsContact O-CG1 3.25Å; T50-I54 WeakPolarHBondContact O-CG1 3.35Å; T50-I54 PolarHBondContact O-N 3.31Å
51	A	88.9	Confident	84.1	Confident	53 Å²	53	105.1 Å²	105.1	44%	0.438	55%	0.554	S	S	.	*	H	α-helix	trans	-65.3	-43.4	175.3	0	0	0	0	0	111.4	R47 V48 L49 I54 L55	R47-A51 WeakPolarHBondContact O-CB 3.5Å; R47-A51 PolarHBondContact O-N 3.26Å; V48-A51 PolarHBondContact O-N 2.94Å; L49-A51 VanDerWaalsContact C-N 3.34Å; A51-I54 PolarHBondContact O-N 3.2Å; A51-L55 WeakPolarHBondContact O-CB 3.26Å; A51-L55 PolarHBondContact O-N 3.11Å
52	I	92.4	Very high	85.7	Confident	110 Å²	110	103.7 Å²	103.7	56%	0.564	55%	0.547	S	S	*	.	H	α-helix	trans	-62.9	-42.6	175.1	-69.3	166.9	0	0	0	111.1	V48 L49 L55 G56	V48-I52 HydrophobicContact CG1-CD1 3.73Å; V48-I52 HydrophobicContact CG1-CG1 4.41Å; V48-I52 WeakPolarHBondContact O-CB 3.34Å; V48-I52 VanDerWaalsContact O-CG1 3.29Å; V48-I52 WeakPolarHBondContact O-CG1 3.45Å; V48-I52 PolarHBondContact O-N 2.92Å; L49-I52 PolarHBondContact O-N 3.35Å; I52-L55 PolarHBondContact O-N 3.5Å; I52-G56 PolarHBondContact O-N 2.6Å
53	L	91.9	Very high	87.3	Confident	106 Å²	106	97.7 Å²	97.7	56%	0.555	53%	0.533	S	S	*	.	H	α-helix	trans	-62.8	-43.3	175.4	-85.9	161.9	0	0	0	112.4	L49 T50 G56 L57	L49-L53 WeakPolarHBondContact O-CB 3.44Å; L49-L53 PolarHBondContact O-N 3.13Å; T50-L53 PolarHBondContact O-N 3.45Å; L53-G56 PolarHBondContact O-N 2.79Å; L53-L57 WeakPolarHBondContact O-CB 3.31Å; L53-L57 WeakPolarHBondContact O-CG 3.42Å; L53-L57 PolarHBondContact O-N 3.1Å
54	I	93	Very high	88.4	Confident	102 Å²	102	100 Å²	100	52%	0.523	54%	0.537	S	S	.	.	H	α-helix	trans	-65	-44	175.7	-69.3	164.8	0	0	0	110.5	T50 A51 G56 L57 L58	T50-I54 WeakPolarHBondContact O-CB 3.44Å; T50-I54 WeakPolarHBondContact O-CD1 3.34Å; T50-I54 VanDerWaalsContact O-CG1 3.25Å; T50-I54 WeakPolarHBondContact O-CG1 3.35Å; T50-I54 PolarHBondContact O-N 3.31Å; A51-I54 PolarHBondContact O-N 3.2Å; I54-G56 VanDerWaalsContact C-N 3.35Å; I54-G56 PolarHBondContact O-N 3.39Å; I54-L57 PolarHBondContact O-N 2.92Å; I54-L58 HydrophobicContact CG2-CD1 3.99Å; I54-L58 HydrophobicContact CG2-CG 4.48Å; I54-L58 WeakPolarHBondContact O-CB 3.36Å; I54-L58 VanDerWaalsContact O-CG 3.32Å; I54-L58 WeakPolarHBondContact O-CG 3.39Å; I54-L58 PolarHBondContact O-N 3.18Å
55	L	93.6	Very high	88.9	Confident	120 Å²	120	100 Å²	100	63%	0.628	53%	0.534	S	S	*	.	H	α-helix	trans	-62.6	-42.7	177	-139.1	83.4	0	0	0	111.4	A51 I52 L58 L59	A51-L55 WeakPolarHBondContact O-CB 3.26Å; A51-L55 PolarHBondContact O-N 3.11Å; I52-L55 PolarHBondContact O-N 3.5Å; L55-L58 PolarHBondContact O-N 3.18Å; L55-L59 VanDerWaalsContact O-CB 3.3Å; L55-L59 WeakPolarHBondContact O-CB 3.38Å; L55-L59 PolarHBondContact O-N 2.88Å
56	G	94	Very high	89.1	Confident	35 Å²	35	103.9 Å²	103.9	36%	0.361	54%	0.542	S	S	.	.	H	α-helix	trans	-63.8	-40.3	175.9	0	0	0	0	0	112.7	I52 L53 I54 L59 C60	I52-G56 PolarHBondContact O-N 2.6Å; L53-G56 PolarHBondContact O-N 2.79Å; I54-G56 VanDerWaalsContact C-N 3.35Å; I54-G56 PolarHBondContact O-N 3.39Å; G56-L59 PolarHBondContact O-N 3.49Å; G56-C60 WeakPolarHBondContact O-CB 3.23Å; G56-C60 PolarHBondContact O-N 3.43Å; G56-C60 PolarHBondContact O-SG 3.08Å
57	L	94.4	Very high	89.3	Confident	120 Å²	120	101.7 Å²	101.7	63%	0.628	54%	0.535	S	S	*	.	H	α-helix	trans	-65.5	-42.4	173.4	-78.1	166.8	0	0	0	112.1	L53 I54 L59 F61	L53-L57 WeakPolarHBondContact O-CB 3.31Å; L53-L57 WeakPolarHBondContact O-CG 3.42Å; L53-L57 PolarHBondContact O-N 3.1Å; I54-L57 PolarHBondContact O-N 2.92Å; L57-L59 VanDerWaalsContact C-N 3.32Å; L57-L59 PolarHBondContact O-N 3.22Å; L57-F61 WeakPolarHBondContact O-CB 3.47Å; L57-F61 PolarHBondContact O-N 3.26Å
58	L	94.7	Very high	89	Confident	103 Å²	103	96.2 Å²	96.2	54%	0.539	52%	0.52	S	S	.	.	H	α-helix	trans	-64.5	-36.7	174.4	-71.9	169.7	0	0	0	112	I54 L55 S62	I54-L58 HydrophobicContact CG2-CD1 3.99Å; I54-L58 HydrophobicContact CG2-CG 4.48Å; I54-L58 WeakPolarHBondContact O-CB 3.36Å; I54-L58 VanDerWaalsContact O-CG 3.32Å; I54-L58 WeakPolarHBondContact O-CG 3.39Å; I54-L58 PolarHBondContact O-N 3.18Å; L55-L58 PolarHBondContact O-N 3.18Å; L58-S62 WeakPolarHBondContact O-CB 3.36Å; L58-S62 PolarHBondContact O-N 3.17Å; L58-S62 PolarHBondContact O-OG 2.92Å
59	L	94.4	Very high	88.3	Confident	109 Å²	109	100.9 Å²	100.9	57%	0.571	53%	0.534	S	S	*	.	H	α-helix	trans	-72.7	-43.4	177.9	-156.9	144.7	0	0	0	111.2	L55 G56 L57 F61 S62 V63	L55-L59 VanDerWaalsContact O-CB 3.3Å; L55-L59 WeakPolarHBondContact O-CB 3.38Å; L55-L59 PolarHBondContact O-N 2.88Å; G56-L59 PolarHBondContact O-N 3.49Å; L57-L59 VanDerWaalsContact C-N 3.32Å; L57-L59 PolarHBondContact O-N 3.22Å; L59-F61 PolarHBondContact O-N 2.85Å; L59-S62 WeakPolarHBondContact CA-OG 3.43Å; L59-S62 PolarHBondContact O-N 3.18Å; L59-S62 PolarHBondContact O-OG 2.86Å; L59-S62 VanDerWaalsContact O-OG 3.05Å; L59-V63 HydrophobicContact CD2-CG2 4.19Å; L59-V63 WeakPolarHBondContact O-CB 3.46Å; L59-V63 VanDerWaalsContact O-CG2 3.26Å; L59-V63 WeakPolarHBondContact O-CG2 3.41Å; L59-V63 PolarHBondContact O-N 3.34Å
60	C	93.3	Very high	87.4	Confident	81 Å²	81	102 Å²	102	55%	0.547	54%	0.537	S	S	.	.	H	α-helix	trans	-59.9	-43.5	169.9	-79	0	0	0	0	112.2	G56 V63 L64	G56-C60 WeakPolarHBondContact O-CB 3.23Å; G56-C60 PolarHBondContact O-N 3.43Å; G56-C60 PolarHBondContact O-SG 3.08Å; C60-V63 PolarHBondContact O-N 3.36Å; C60-L64 WeakPolarHBondContact O-CB 3.32Å; C60-L64 PolarHBondContact O-N 2.93Å
61	F	93.2	Very high	86.6	Confident	133 Å²	133	102.6 Å²	102.6	58%	0.583	54%	0.537	S	S	*	.	H	α-helix	trans	-66.5	-40	179	-177.2	-106	0	0	0	112.4	L57 L59 L64 L65	L57-F61 WeakPolarHBondContact O-CB 3.47Å; L57-F61 PolarHBondContact O-N 3.26Å; L59-F61 PolarHBondContact O-N 2.85Å; F61-L64 PolarHBondContact O-N 3.47Å; F61-L65 HydrophobicContact CD1-CD1 3.84Å; F61-L65 HydrophobicContact CE1-CD1 3.37Å; F61-L65 HydrophobicContact CE1-CG 4.19Å; F61-L65 HydrophobicContact CZ-CD1 3.86Å; F61-L65 HydrophobicContact CZ-CG 4.27Å; F61-L65 WeakPolarHBondContact O-CB 3.15Å; F61-L65 PolarHBondContact O-N 2.86Å
62	S	90.1	Very high	85.7	Confident	62 Å²	62	104.9 Å²	104.9	43%	0.434	55%	0.549	S	S	.	.	H	α-helix	trans	-70.6	-36.7	175.5	50.5	0	0	0	0	112.7	L58 L59 L65 F66	L58-S62 WeakPolarHBondContact O-CB 3.36Å; L58-S62 PolarHBondContact O-N 3.17Å; L58-S62 PolarHBondContact O-OG 2.92Å; L59-S62 WeakPolarHBondContact CA-OG 3.43Å; L59-S62 PolarHBondContact O-N 3.18Å; L59-S62 PolarHBondContact O-OG 2.86Å; L59-S62 VanDerWaalsContact O-OG 3.05Å; S62-L65 PolarHBondContact O-N 3.01Å; S62-F66 WeakPolarHBondContact O-CB 3.48Å; S62-F66 PolarHBondContact O-N 2.91Å
63	V	90.9	Very high	84.8	Confident	86 Å²	86	101.2 Å²	101.2	52%	0.521	54%	0.538	S	S	.	.	H	α-helix	trans	-64.7	-42.7	170.2	171	0	0	0	0	111.2	L59 C60 F66 Y67	L59-V63 HydrophobicContact CD2-CG2 4.19Å; L59-V63 WeakPolarHBondContact O-CB 3.46Å; L59-V63 VanDerWaalsContact O-CG2 3.26Å; L59-V63 WeakPolarHBondContact O-CG2 3.41Å; L59-V63 PolarHBondContact O-N 3.34Å; C60-V63 PolarHBondContact O-N 3.36Å; V63-F66 PolarHBondContact O-N 3.42Å; V63-Y67 VanDerWaalsContact O-CB 3.3Å; V63-Y67 WeakPolarHBondContact O-CB 3.23Å; V63-Y67 PolarHBondContact O-N 3Å
64	L	87.9	Confident	84.5	Confident	103 Å²	103	99.1 Å²	99.1	54%	0.539	53%	0.53	S	S	.	.	H	α-helix	trans	-62.7	-42.4	174.2	-105.6	155.7	0	0	0	112	C60 F61 N68	C60-L64 WeakPolarHBondContact O-CB 3.32Å; C60-L64 PolarHBondContact O-N 2.93Å; F61-L64 PolarHBondContact O-N 3.47Å; L64-N68 WeakPolarHBondContact O-CB 3.38Å; L64-N68 PolarHBondContact O-N 3.03Å; L64-N68 PolarHBondContact O-ND2 3.02Å
65	L	83.9	Confident	84.3	Confident	90 Å²	90	102.6 Å²	102.6	47%	0.471	54%	0.537	S	S	.	.	H	α-helix	trans	-61	-48.1	173.5	-91.1	170.8	0	0	0	111.1	F61 S62 N68 F69	F61-L65 HydrophobicContact CD1-CD1 3.84Å; F61-L65 HydrophobicContact CE1-CD1 3.37Å; F61-L65 HydrophobicContact CE1-CG 4.19Å; F61-L65 HydrophobicContact CZ-CD1 3.86Å; F61-L65 HydrophobicContact CZ-CG 4.27Å; F61-L65 WeakPolarHBondContact O-CB 3.15Å; F61-L65 PolarHBondContact O-N 2.86Å; S62-L65 PolarHBondContact O-N 3.01Å; L65-N68 PolarHBondContact O-N 3.44Å; L65-F69 WeakPolarHBondContact O-CB 3.16Å; L65-F69 PolarHBondContact O-N 2.74Å
66	F	81.9	Confident	84.3	Confident	131 Å²	131	100 Å²	100	58%	0.575	53%	0.527	S	S	*	.	H	α-helix	trans	-62.6	-44.9	179.4	-174.1	-96.9	0	0	0	112.1	S62 V63 N68 F69 Q70	S62-F66 WeakPolarHBondContact O-CB 3.48Å; S62-F66 PolarHBondContact O-N 2.91Å; V63-F66 PolarHBondContact O-N 3.42Å; F66-N68 PolarHBondContact O-N 3.35Å; F66-F69 PolarHBondContact O-N 3.44Å; F66-Q70 HydrophobicContact CD1-CG 4.41Å; F66-Q70 HydrophobicContact CE1-CG 3.99Å; F66-Q70 HydrophobicContact CZ-CG 4.12Å; F66-Q70 PolarHBondContact O-N 2.72Å
67	Y	81	Confident	84.3	Confident	145 Å²	145	98.8 Å²	98.8	57%	0.569	51%	0.513	S	S	*	.	H	α-helix	trans	-61.8	-42.2	175.8	-178.2	-91.6	0	0	0	112.1	V63 N71	V63-Y67 VanDerWaalsContact O-CB 3.3Å; V63-Y67 WeakPolarHBondContact O-CB 3.23Å; V63-Y67 PolarHBondContact O-N 3Å; Y67-N71 WeakPolarHBondContact CD2-ND2 3.42Å; Y67-N71 VanDerWaalsContact CE2-ND2 3.25Å; Y67-N71 WeakPolarHBondContact CE2-ND2 3.35Å; Y67-N71 VanDerWaalsContact CZ-ND2 3.34Å; Y67-N71 WeakPolarHBondContact O-CB 3.4Å; Y67-N71 PolarHBondContact O-N 2.95Å; Y67-N71 PolarHBondContact O-ND2 2.91Å
68	N	75.2	Confident	84.3	Confident	78 Å²	78	99.7 Å²	99.7	42%	0.417	51%	0.514	S	S	.	.	H	α-helix	trans	-66.3	-40.4	173	-83.2	-80.2	0	0	0	111.6	L64 L65 F66 N71 C72	L64-N68 WeakPolarHBondContact O-CB 3.38Å; L64-N68 PolarHBondContact O-N 3.03Å; L64-N68 PolarHBondContact O-ND2 3.02Å; L65-N68 PolarHBondContact O-N 3.44Å; F66-N68 PolarHBondContact O-N 3.35Å; N68-N71 PolarHBondContact O-N 3.32Å; N68-C72 WeakPolarHBondContact O-CA 3.16Å; N68-C72 WeakPolarHBondContact O-CB 3.44Å; N68-C72 PolarHBondContact O-N 3.25Å; N68-C72 PolarHBondContact O-SG 2.97Å
69	F	69.3	Low	84.4	Confident	174 Å²	174	98.1 Å²	98.1	76%	0.763	51%	0.509	S	S	*	.	H	α-helix	trans	-65.2	-41.4	179.6	-130.8	-88.4	0	0	0	112.1	L65 F66 G73	L65-F69 WeakPolarHBondContact O-CB 3.16Å; L65-F69 PolarHBondContact O-N 2.74Å; F66-F69 PolarHBondContact O-N 3.44Å; F69-G73 PolarHBondContact O-N 2.69Å
70	Q	66.1	Low	84.4	Confident	133 Å²	133	96.9 Å²	96.9	62%	0.621	51%	0.51	S	S	*	.	H	α-helix	trans	-67.8	-42.8	175	-78.3	-167.3	-34.6	0	0	112.8	F66	F66-Q70 HydrophobicContact CD1-CG 4.41Å; F66-Q70 HydrophobicContact CE1-CG 3.99Å; F66-Q70 HydrophobicContact CZ-CG 4.12Å; F66-Q70 PolarHBondContact O-N 2.72Å
71	N	68.2	Low	84.5	Confident	81 Å²	81	94.4 Å²	94.4	43%	0.433	49%	0.492	S	S	.	.	H	α-helix	trans	-87.7	-23.4	-173.6	-71.6	-67.3	0	0	0	114.8	Y67 N68	Y67-N71 WeakPolarHBondContact CD2-ND2 3.42Å; Y67-N71 VanDerWaalsContact CE2-ND2 3.25Å; Y67-N71 WeakPolarHBondContact CE2-ND2 3.35Å; Y67-N71 VanDerWaalsContact CZ-ND2 3.34Å; Y67-N71 WeakPolarHBondContact O-CB 3.4Å; Y67-N71 PolarHBondContact O-N 2.95Å; Y67-N71 PolarHBondContact O-ND2 2.91Å; N68-N71 PolarHBondContact O-N 3.32Å
72	C	69.6	Low	84.7	Confident	101 Å²	101	88 Å²	88	68%	0.682	46%	0.464	S	S	*	.	H	α-helix	trans	-102.2	-3.5	-179.9	-58.3	0	0	0	0	113.6	N68	N68-C72 WeakPolarHBondContact O-CA 3.16Å; N68-C72 WeakPolarHBondContact O-CB 3.44Å; N68-C72 PolarHBondContact O-N 3.25Å; N68-C72 PolarHBondContact O-SG 2.97Å
73	G	75.1	Confident	85	Confident	32 Å²	32	87.6 Å²	87.6	33%	0.33	46%	0.456	S	S	.	.	S	Bend	trans	-62.2	153.4	169.8	0	0	0	0	0	112.3	F69 R75	F69-G73 PolarHBondContact O-N 2.69Å; G73-R75 PolarHBondContact O-N 2.82Å
74	P	84.1	Confident	85.2	Confident	62 Å²	62	88.6 Å²	88.6	40%	0.403	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-66.5	134	177	29.4	-34.5	0	0	0	110.5	E659 V661 P669	P74-E659 VanDerWaalsContact CA-O 3.28Å; P74-E659 WeakPolarHBondContact CA-O 3.27Å; P74-E659 HydrophobicContact CB-CB 4.19Å; P74-V661 HydrophobicContact CB-CG1 3.81Å; P74-V661 HydrophobicContact CB-CG2 4.3Å; P74-V661 HydrophobicContact CG-CG1 3.84Å; P74-V661 HydrophobicContact CG-CG2 4.32Å; P74-P669 HydrophobicContact CB-CG 4.07Å; P74-P669 HydrophobicContact CG-CG 4.15Å
75	R	89.4	Confident	85.5	Confident	175 Å²	175	83.9 Å²	83.9	66%	0.66	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.4	146.1	-175.8	-63.6	-178.4	-178.2	178.9	-0.9	111.1	G73 E659 T660 V661	G73-R75 PolarHBondContact O-N 2.82Å; R75-E659 PolarHBondContact N-O 3.16Å; R75-T660 CarbonylContact O-C 3.44Å; R75-T660 WeakPolarHBondContact O-CA 3.22Å; R75-T660 WeakPolarHBondContact O-CB 3.04Å; R75-V661 PolarHBondContact O-N 3.5Å
76	P	92.8	Very high	86	Confident	66 Å²	66	82 Å²	82	43%	0.429	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	138.4	172.8	28.1	-34.3	0	0	0	110.6	E78 P663	P76-E78 HydrophobicContact CB-CG 4.05Å; P76-E78 HydrophobicContact CG-CG 4.25Å; P76-P663 HydrophobicContact CB-CB 4.09Å
77	C	95	Very high	86.6	Confident	9 Å²	9	79.2 Å²	79.2	6%	0.061	41%	0.412	C	S	.	.			trans	-88.3	102.3	167.8	-173.5	0	0	0	0	109.6	C82 P567 V661 P663	C77-C82 HydrophobicContact CB-CB 3.6Å; C77-C82 WeakPolarHBondContact CB-SG 3.5Å; C77-C82 WeakPolarHBondContact O-CB 3.38Å; C77-C82 WeakPolarHBondContact SG-CB 3.48Å; C77-C82 CovalentContact SG-SG 2.04Å; C77-C82 PolarHBondContact SG-SG 2.94Å; C77-P567 HydrophobicContact CB-CG 4.29Å; C77-V661 PolarHBondContact N-O 2.76Å; C77-P663 WeakPolarHBondContact O-CD 3.29Å
78	E	94.6	Very high	87	Confident	140 Å²	140	74.2 Å²	74.2	65%	0.654	39%	0.393	S	S	*	.			trans	-99.6	8.8	-175.2	-58.8	-177.8	155.5	0	0	113.4	P76	P76-E78 HydrophobicContact CB-CG 4.05Å; P76-E78 HydrophobicContact CG-CG 4.25Å
79	T	95.9	Very high	87.9	Confident	70 Å²	70	70.7 Å²	70.7	43%	0.429	37%	0.374	S	S	.	.	S	Bend	trans	-64.2	146.9	172.6	71.3	0	0	0	0	110.5	V81 C82 L83	T79-V81 VanDerWaalsContact C-N 3.25Å; T79-V81 PolarHBondContact O-N 3.33Å; T79-V81 VanDerWaalsContact O-N 3.16Å; T79-C82 WeakPolarHBondContact O-CA 3.43Å; T79-C82 WeakPolarHBondContact O-CB 3.47Å; T79-C82 PolarHBondContact O-N 2.91Å; T79-C82 PolarHBondContact OG1-N 3.13Å; T79-C82 PolarHBondContact OG1-SG 3.07Å; T79-L83 PolarHBondContact O-N 3.04Å
80	S	96.1	Very high	89	Confident	83 Å²	83	66.3 Å²	66.3	58%	0.58	36%	0.358	S	S	*	.	H	α-helix	trans	-48.3	-47	-179.6	50.7	0	0	0	0	112.8	C82 L83 D84	S80-C82 VanDerWaalsContact C-N 3.29Å; S80-C82 PolarHBondContact O-N 3.26Å; S80-L83 WeakPolarHBondContact O-CB 3.32Å; S80-L83 PolarHBondContact O-N 3.22Å; S80-D84 VanDerWaalsContact O-CG 3.25Å; S80-D84 PolarHBondContact O-N 3.01Å
81	V	94.9	Very high	90.1	Very high	28 Å²	28	63.1 Å²	63.1	17%	0.17	36%	0.355	C	S	.	.	H	α-helix	trans	-63.2	-34.2	-179.8	-160.7	0	0	0	0	112.2	T79 L85 P559 H563 Y566	T79-V81 VanDerWaalsContact C-N 3.25Å; T79-V81 PolarHBondContact O-N 3.33Å; T79-V81 VanDerWaalsContact O-N 3.16Å; V81-L85 WeakPolarHBondContact O-CB 3.35Å; V81-L85 PolarHBondContact O-N 3.42Å; V81-L85 VanDerWaalsContact O-N 3.08Å; V81-P559 HydrophobicContact CG1-CG 3.83Å; V81-H563 HydrophobicContact CG1-CB 4.21Å; V81-Y566 HydrophobicContact CB-CE1 4.38Å; V81-Y566 HydrophobicContact CG1-CD1 4.49Å; V81-Y566 HydrophobicContact CG1-CE1 3.67Å; V81-Y566 WeakPolarHBondContact O-CE1 3.39Å
82	C	97	Very high	91.1	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-70.6	-36.5	172.9	-76.6	0	0	0	0	112.7	C77 T79 S80 L85 R86 L662	C77-C82 HydrophobicContact CB-CB 3.6Å; C77-C82 WeakPolarHBondContact CB-SG 3.5Å; C77-C82 WeakPolarHBondContact O-CB 3.38Å; C77-C82 WeakPolarHBondContact SG-CB 3.48Å; C77-C82 CovalentContact SG-SG 2.04Å; C77-C82 PolarHBondContact SG-SG 2.94Å; T79-C82 WeakPolarHBondContact O-CA 3.43Å; T79-C82 WeakPolarHBondContact O-CB 3.47Å; T79-C82 PolarHBondContact O-N 2.91Å; T79-C82 PolarHBondContact OG1-N 3.13Å; T79-C82 PolarHBondContact OG1-SG 3.07Å; S80-C82 VanDerWaalsContact C-N 3.29Å; S80-C82 PolarHBondContact O-N 3.26Å; C82-L85 PolarHBondContact O-N 3.25Å; C82-R86 WeakPolarHBondContact O-CB 3.49Å; C82-R86 PolarHBondContact O-N 2.9Å; C82-L662 HydrophobicContact CB-CD2 4.12Å
83	L	96.8	Very high	92.1	Very high	53 Å²	53	54.8 Å²	54.8	28%	0.277	31%	0.305	S	S	.	.	H	α-helix	trans	-67.2	-45.1	174.9	-58.9	177.3	0	0	0	110.6	T79 S80 L85 R86 D87 P663	T79-L83 PolarHBondContact O-N 3.04Å; S80-L83 WeakPolarHBondContact O-CB 3.32Å; S80-L83 PolarHBondContact O-N 3.22Å; L83-L85 VanDerWaalsContact C-N 3.29Å; L83-L85 PolarHBondContact O-N 2.78Å; L83-R86 WeakPolarHBondContact O-CB 3.34Å; L83-R86 PolarHBondContact O-N 2.76Å; L83-D87 VanDerWaalsContact O-CG 3.29Å; L83-D87 PolarHBondContact O-N 3.42Å; L83-P663 HydrophobicContact CD2-CG 3.97Å
84	D	94.7	Very high	93	Very high	107 Å²	107	54.9 Å²	54.9	57%	0.572	30%	0.298	S	S	*	.	H	α-helix	trans	-56.2	-42.8	173.6	-64.5	-21.9	0	0	0	111.6	S80 D87 H88	S80-D84 VanDerWaalsContact O-CG 3.25Å; S80-D84 PolarHBondContact O-N 3.01Å; D84-D87 PolarHBondContact O-N 3.32Å; D84-H88 WeakPolarHBondContact O-CB 3.37Å; D84-H88 PolarHBondContact O-N 3.42Å
85	L	94.7	Very high	93.3	Very high	3 Å²	3	57 Å²	57	2%	0.016	31%	0.31	C	S	.	.	H	α-helix	trans	-69.7	-40.8	178.1	-176.4	67.1	0	0	0	112.5	V81 C82 L83 D87 H88 Y89 P560 Y566 V570 L662	V81-L85 WeakPolarHBondContact O-CB 3.35Å; V81-L85 PolarHBondContact O-N 3.42Å; V81-L85 VanDerWaalsContact O-N 3.08Å; C82-L85 PolarHBondContact O-N 3.25Å; L83-L85 VanDerWaalsContact C-N 3.29Å; L83-L85 PolarHBondContact O-N 2.78Å; L85-D87 VanDerWaalsContact C-N 3.28Å; L85-D87 PolarHBondContact O-N 3.19Å; L85-H88 PolarHBondContact O-N 2.94Å; L85-Y89 HydrophobicContact CD1-CD1 4.05Å; L85-Y89 HydrophobicContact CD1-CE1 3.45Å; L85-Y89 VanDerWaalsContact CD1-CE1 3.45Å; L85-Y89 HydrophobicContact CG-CD1 4.4Å; L85-Y89 HydrophobicContact CG-CE1 4Å; L85-Y89 HydrophobicContact CG-CE2 4.49Å; L85-Y89 PolarHBondContact O-N 2.92Å; L85-P560 HydrophobicContact CD1-CB 3.86Å; L85-Y566 HydrophobicContact CB-CE1 3.69Å; L85-Y566 HydrophobicContact CD2-CD1 3.83Å; L85-Y566 HydrophobicContact CD2-CD2 4.16Å; L85-Y566 HydrophobicContact CD2-CE1 3.56Å; L85-Y566 HydrophobicContact CD2-CE2 3.94Å; L85-Y566 HydrophobicContact CD2-CG 4.12Å; L85-Y566 HydrophobicContact CG-CE1 4.15Å; L85-V570 HydrophobicContact CD2-CB 4.35Å; L85-V570 HydrophobicContact CD2-CG1 3.51Å; L85-V570 HydrophobicContact CD2-CG2 3.97Å; L85-L662 HydrophobicContact CD2-CD1 3.92Å; L85-L662 HydrophobicContact CD2-CD2 4.16Å; L85-L662 HydrophobicContact CG-CD1 4.11Å
86	R	94.5	Very high	93.5	Very high	51 Å²	51	53.4 Å²	53.4	19%	0.192	31%	0.311	C	S	.	.	H	α-helix	trans	-55.8	-48.1	172.4	174.5	-155.8	66.4	-162.9	-7.1	109.8	C82 L83 H88 Y89 L90 P663 L665	C82-R86 WeakPolarHBondContact O-CB 3.49Å; C82-R86 PolarHBondContact O-N 2.9Å; L83-R86 WeakPolarHBondContact O-CB 3.34Å; L83-R86 PolarHBondContact O-N 2.76Å; R86-H88 VanDerWaalsContact C-N 3.34Å; R86-H88 PolarHBondContact O-N 3.22Å; R86-Y89 PolarHBondContact O-N 3.42Å; R86-Y89 VanDerWaalsContact O-N 3.11Å; R86-L90 HydrophobicContact CG-CD1 3.93Å; R86-L90 HydrophobicContact CG-CG 4.39Å; R86-L90 WeakPolarHBondContact O-CG 3.43Å; R86-L90 PolarHBondContact O-N 3.41Å; R86-P663 WeakPolarHBondContact CD-O 3.34Å; R86-P663 VanDerWaalsContact CG-O 3.27Å; R86-P663 WeakPolarHBondContact CG-O 3.48Å; R86-L665 HydrophobicContact CG-CD2 4.03Å; R86-L665 HydrophobicContact CG-CG 4.31Å
87	D	93	Very high	93.5	Very high	73 Å²	73	51.9 Å²	51.9	39%	0.39	30%	0.301	S	S	.	.	H	α-helix	trans	-67.9	-36	-176.4	-66.1	-15.4	0	0	0	111.5	L83 D84 L85 L90 A91	L83-D87 VanDerWaalsContact O-CG 3.29Å; L83-D87 PolarHBondContact O-N 3.42Å; D84-D87 PolarHBondContact O-N 3.32Å; L85-D87 VanDerWaalsContact C-N 3.28Å; L85-D87 PolarHBondContact O-N 3.19Å; D87-L90 PolarHBondContact O-N 2.91Å; D87-A91 VanDerWaalsContact O-CB 3.24Å; D87-A91 WeakPolarHBondContact O-CB 3.31Å; D87-A91 PolarHBondContact O-N 2.74Å
88	H	91.1	Very high	93.5	Very high	39 Å²	39	54 Å²	54	18%	0.181	32%	0.319	C	S	.	.	H	α-helix	trans	-59.9	-43.8	168.5	-177.4	79.1	0	0	0	112.5	D84 L85 R86 A91 S92 Q679	D84-H88 WeakPolarHBondContact O-CB 3.37Å; D84-H88 PolarHBondContact O-N 3.42Å; L85-H88 PolarHBondContact O-N 2.94Å; R86-H88 VanDerWaalsContact C-N 3.34Å; R86-H88 PolarHBondContact O-N 3.22Å; H88-A91 PolarHBondContact O-N 3.22Å; H88-S92 WeakPolarHBondContact O-CB 2.98Å; H88-S92 PolarHBondContact O-N 3.27Å; H88-S92 VanDerWaalsContact O-N 3.08Å; H88-S92 PolarHBondContact O-OG 2.74Å; H88-Q679 PolarHBondContact CD2-OE1 2.83Å
89	Y	92.9	Very high	93.6	Very high	4 Å²	4	48.8 Å²	48.8	2%	0.016	30%	0.297	C	S	.	.	H	α-helix	trans	-68.4	-38.7	178.5	-75.2	11	0	0	0	112.3	L85 R86 S92 G93 L662 L665 R675 S676 Q679	L85-Y89 HydrophobicContact CD1-CD1 4.05Å; L85-Y89 HydrophobicContact CD1-CE1 3.45Å; L85-Y89 VanDerWaalsContact CD1-CE1 3.45Å; L85-Y89 HydrophobicContact CG-CD1 4.4Å; L85-Y89 HydrophobicContact CG-CE1 4Å; L85-Y89 HydrophobicContact CG-CE2 4.49Å; L85-Y89 PolarHBondContact O-N 2.92Å; R86-Y89 PolarHBondContact O-N 3.42Å; R86-Y89 VanDerWaalsContact O-N 3.11Å; Y89-S92 PolarHBondContact O-OG 2.96Å; Y89-G93 PolarHBondContact O-N 3.39Å; Y89-L662 HydrophobicContact CD2-CD1 3.73Å; Y89-L662 HydrophobicContact CE2-CD1 3.7Å; Y89-L665 HydrophobicContact CD2-CD1 3.91Å; Y89-R675 HydrophobicContact CD2-CG 3.97Å; Y89-R675 HydrophobicContact CE2-CG 4.13Å; Y89-R675 PolarHBondContact O-NH2 3.13Å; Y89-S676 WeakPolarHBondContact OH-CA 3.16Å; Y89-S676 WeakPolarHBondContact OH-CB 3.14Å; Y89-S676 PolarHBondContact OH-OG 2.94Å; Y89-S676 VanDerWaalsContact OH-OG 3.12Å; Y89-Q679 HydrophobicContact CD1-CB 4.35Å; Y89-Q679 HydrophobicContact CD1-CG 3.68Å; Y89-Q679 HydrophobicContact CE1-CB 3.71Å; Y89-Q679 HydrophobicContact CE1-CG 3.5Å; Y89-Q679 VanDerWaalsContact CE1-CG 3.5Å; Y89-Q679 HydrophobicContact CE2-CG 4.4Å; Y89-Q679 HydrophobicContact CG-CG 4.23Å
90	L	92	Very high	93.6	Very high	82 Å²	82	46.7 Å²	46.7	43%	0.429	29%	0.285	S	S	.	.	H	α-helix	trans	-66.3	-40.4	175	-71.6	173.2	0	0	0	111.9	R86 D87 L665	R86-L90 HydrophobicContact CG-CD1 3.93Å; R86-L90 HydrophobicContact CG-CG 4.39Å; R86-L90 WeakPolarHBondContact O-CG 3.43Å; R86-L90 PolarHBondContact O-N 3.41Å; D87-L90 PolarHBondContact O-N 2.91Å; L90-L665 HydrophobicContact CD1-CD2 4.5Å; L90-L665 HydrophobicContact CD2-CD2 3.64Å; L90-L665 HydrophobicContact CG-CD2 3.76Å
91	A	89.9	Confident	93.4	Very high	67 Å²	67	47.9 Å²	47.9	55%	0.554	29%	0.289	S	S	*	.	H	α-helix	trans	-69.4	-37	179.8	0	0	0	0	0	113.3	D87 H88 R110	D87-A91 VanDerWaalsContact O-CB 3.24Å; D87-A91 WeakPolarHBondContact O-CB 3.31Å; D87-A91 PolarHBondContact O-N 2.74Å; H88-A91 PolarHBondContact O-N 3.22Å; A91-R110 WeakPolarHBondContact O-CB 3.48Å
92	S	90.1	Very high	93.4	Very high	3 Å²	3	48.5 Å²	48.5	2%	0.021	29%	0.291	C	S	.	.	H	α-helix	trans	-86.6	-23.1	-179.3	51.9	0	0	0	0	114.1	H88 Y89 C108 G109 R110 A111 Q679	H88-S92 WeakPolarHBondContact O-CB 2.98Å; H88-S92 PolarHBondContact O-N 3.27Å; H88-S92 VanDerWaalsContact O-N 3.08Å; H88-S92 PolarHBondContact O-OG 2.74Å; Y89-S92 PolarHBondContact O-OG 2.96Å; S92-C108 CarbonylContact O-C 3.48Å; S92-C108 VanDerWaalsContact O-CA 3.28Å; S92-C108 WeakPolarHBondContact O-CA 3.49Å; S92-G109 PolarHBondContact O-N 2.98Å; S92-R110 CarbonylContact O-C 3.55Å; S92-R110 PolarHBondContact O-N 2.7Å; S92-A111 PolarHBondContact O-N 3.43Å; S92-Q679 PolarHBondContact OG-NE2 2.7Å; S92-Q679 PolarHBondContact OG-OE1 2.91Å
93	G	90.4	Very high	93.3	Very high	4 Å²	4	48.5 Å²	48.5	4%	0.041	29%	0.291	C	S	.	.			trans	-80.4	150.2	-175	0	0	0	0	0	115.8	Y89 F106 R110	Y89-G93 PolarHBondContact O-N 3.39Å; G93-F106 WeakPolarHBondContact CA-O 3.28Å; G93-R110 WeakPolarHBondContact O-CB 3.46Å; G93-R110 WeakPolarHBondContact O-CD 3.31Å; G93-R110 VanDerWaalsContact O-CG 3.26Å; G93-R110 WeakPolarHBondContact O-CG 3.3Å; G93-R110 PolarHBondContact O-NE 3.09Å
94	N	92.6	Very high	93.2	Very high	34 Å²	34	47.8 Å²	47.8	18%	0.182	29%	0.286	C	S	.	.			trans	-117.6	89.4	165.5	-162.3	7.5	0	0	0	111.6	S96 V97 S105 F106 R110	N94-S96 PolarHBondContact O-N 3.43Å; N94-S96 VanDerWaalsContact O-N 3.13Å; N94-S96 WeakPolarHBondContact OD1-CB 3.4Å; N94-V97 HydrophobicContact CB-CG2 4.32Å; N94-V97 PolarHBondContact O-N 2.92Å; N94-S105 WeakPolarHBondContact CB-O 3.09Å; N94-F106 PolarHBondContact N-O 3.45Å; N94-R110 HydrophobicContact CB-CG 4.01Å; N94-R110 PolarHBondContact OD1-NE 3.27Å; N94-R110 VanDerWaalsContact OD1-NE 3.16Å; N94-R110 PolarHBondContact OD1-NH2 3.06Å
95	T	90.8	Very high	93.1	Very high	106 Å²	106	44.3 Å²	44.3	65%	0.65	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-11.9	178.4	50.2	0	0	0	0	114.2	V97 F106	T95-V97 PolarHBondContact O-N 3.41Å; T95-F106 HydrophobicContact CG2-CE2 4.38Å
96	S	93.3	Very high	93.1	Very high	99 Å²	99	45 Å²	45	69%	0.692	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-12.6	171.6	-50.9	0	0	0	0	113.4	N94 R110	N94-S96 PolarHBondContact O-N 3.43Å; N94-S96 VanDerWaalsContact O-N 3.13Å; N94-S96 WeakPolarHBondContact OD1-CB 3.4Å; S96-R110 PolarHBondContact OG-NH2 3.16Å
97	V	94.1	Very high	93	Very high	35 Å²	35	42.5 Å²	42.5	21%	0.212	26%	0.264	C	S	.	.	S	Bend	trans	-99.6	129.5	176.3	179.4	0	0	0	0	109.8	N94 T95 D102 F106	N94-V97 HydrophobicContact CB-CG2 4.32Å; N94-V97 PolarHBondContact O-N 2.92Å; T95-V97 PolarHBondContact O-N 3.41Å; V97-D102 HydrophobicContact CG1-CB 4.04Å; V97-F106 WeakPolarHBondContact O-CD2 3.34Å
98	A	94.5	Very high	92.9	Very high	52 Å²	52	39.4 Å²	39.4	43%	0.43	25%	0.248	S	C	.	.			trans	-67.3	129.2	178.5	0	0	0	0	0	111.1	C100 T101 D102	A98-C100 PolarHBondContact O-N 3.09Å; A98-C100 VanDerWaalsContact O-N 3.12Å; A98-T101 PolarHBondContact O-N 3.06Å; A98-D102 PolarHBondContact O-N 3.32Å
99	P	95.8	Very high	92.8	Very high	31 Å²	31	39.4 Å²	39.4	20%	0.201	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-24.2	-174	23	-33.6	0	0	0	113.7	F103 F106 F715 L723	P99-F103 HydrophobicContact CB-CD2 3.57Å; P99-F103 HydrophobicContact CB-CE2 3.82Å; P99-F103 WeakPolarHBondContact O-CB 3.21Å; P99-F103 WeakPolarHBondContact O-CD2 3.44Å; P99-F103 PolarHBondContact O-N 3.31Å; P99-F106 HydrophobicContact CB-CD1 4.1Å; P99-F106 HydrophobicContact CB-CD2 4.37Å; P99-F106 HydrophobicContact CB-CE1 4.39Å; P99-F106 HydrophobicContact CB-CG 4.08Å; P99-F715 HydrophobicContact CB-CD1 3.66Å; P99-F715 HydrophobicContact CB-CE1 4.09Å; P99-F715 HydrophobicContact CB-CG 4.3Å; P99-F715 HydrophobicContact CG-CD1 3.63Å; P99-F715 HydrophobicContact CG-CE1 4.29Å; P99-F715 HydrophobicContact CG-CG 4.44Å; P99-L723 WeakPolarHBondContact O-CD1 3.41Å
100	C	96	Very high	92.5	Very high	26 Å²	26	44.9 Å²	44.9	18%	0.176	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-10.5	176.8	-63.7	0	0	0	0	114.4	A98 F715 C717	A98-C100 PolarHBondContact O-N 3.09Å; A98-C100 VanDerWaalsContact O-N 3.12Å; C100-F715 PolarHBondContact SG-O 3.13Å; C100-C717 VanDerWaalsContact CA-SG 3.57Å; C100-C717 HydrophobicContact CB-CB 3.61Å; C100-C717 WeakPolarHBondContact CB-SG 3.39Å; C100-C717 WeakPolarHBondContact SG-CA 3.37Å; C100-C717 WeakPolarHBondContact SG-CB 3.44Å; C100-C717 PolarHBondContact SG-N 2.86Å; C100-C717 CovalentContact SG-SG 2.04Å; C100-C717 PolarHBondContact SG-SG 2.84Å
101	T	93.6	Very high	91.6	Very high	109 Å²	109	42.3 Å²	42.3	67%	0.669	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-53.1	176.2	-56.8	0	0	0	0	109.9	A98	A98-T101 PolarHBondContact O-N 3.06Å
102	D	93.6	Very high	90.3	Very high	40 Å²	40	46.4 Å²	46.4	21%	0.214	28%	0.275	C	S	.	.			trans	-146.8	98.7	174.4	179.6	-2.4	0	0	0	110.1	V97 A98 F104 S105 F106 H702	V97-D102 HydrophobicContact CG1-CB 4.04Å; A98-D102 PolarHBondContact O-N 3.32Å; D102-F104 VanDerWaalsContact C-N 3.31Å; D102-F104 PolarHBondContact O-N 3.13Å; D102-F104 WeakPolarHBondContact OD1-CA 3.41Å; D102-F104 WeakPolarHBondContact OD1-CB 3.43Å; D102-F104 PolarHBondContact OD1-N 3.31Å; D102-S105 PolarHBondContact OD1-N 2.72Å; D102-S105 WeakPolarHBondContact OD2-CB 3.35Å; D102-S105 PolarHBondContact OD2-N 2.71Å; D102-S105 PolarHBondContact OD2-OG 3.41Å; D102-F106 WeakPolarHBondContact O-CB 3.44Å; D102-F106 PolarHBondContact O-N 2.9Å; D102-H702 IonicContact OD1-CD2 2.75Å; D102-H702 IonicContact OD1-CE1 2.75Å; D102-H702 PolarHBondContact OD1-CE1 2.9Å; D102-H702 VanDerWaalsContact OD1-CE1 3.32Å; D102-H702 IonicContact OD1-NE2 2.68Å; D102-H702 PolarHBondContact OD1-NE2 2.67Å
103	F	95.9	Very high	88.5	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-70.9	-25.4	177.9	-158.4	-100.9	0	0	0	113.4	P99 F106 A107 F674 A678 V701 L705 F711 F715 L723	P99-F103 HydrophobicContact CB-CD2 3.57Å; P99-F103 HydrophobicContact CB-CE2 3.82Å; P99-F103 WeakPolarHBondContact O-CB 3.21Å; P99-F103 WeakPolarHBondContact O-CD2 3.44Å; P99-F103 PolarHBondContact O-N 3.31Å; F103-F106 AromaticContact CD2-CD1 3.8Å; F103-F106 HydrophobicContact CD2-CD1 3.8Å; F103-F106 HydrophobicContact CD2-CE1 4.46Å; F103-F106 AromaticContact CE2-CD1 3.48Å; F103-F106 HydrophobicContact CE2-CD1 3.48Å; F103-F106 VanDerWaalsContact CE2-CD1 3.48Å; F103-F106 AromaticContact CE2-CE1 3.72Å; F103-F106 HydrophobicContact CE2-CE1 3.72Å; F103-F106 AromaticContact CZ-CD1 3.97Å; F103-F106 HydrophobicContact CZ-CD1 3.97Å; F103-F106 HydrophobicContact CZ-CE1 4.09Å; F103-A107 WeakPolarHBondContact O-CB 3.37Å; F103-A107 PolarHBondContact O-N 3.16Å; F103-F674 HydrophobicContact CE1-CB 4.34Å; F103-F674 WeakPolarHBondContact CE1-O 3.3Å; F103-F674 HydrophobicContact CZ-CB 4.17Å; F103-A678 HydrophobicContact CD1-CB 3.75Å; F103-A678 HydrophobicContact CE1-CB 3.62Å; F103-V701 HydrophobicContact CB-CG1 4.41Å; F103-V701 HydrophobicContact CD1-CG1 4.04Å; F103-L705 HydrophobicContact CB-CD1 3.81Å; F103-L705 HydrophobicContact CD1-CD1 3.3Å; F103-L705 HydrophobicContact CE1-CD1 4.05Å; F103-L705 HydrophobicContact CG-CD1 3.7Å; F103-F711 HydrophobicContact CB-CZ 4.13Å; F103-F711 HydrophobicContact CD1-CE2 4.29Å; F103-F711 AromaticContact CD2-CE2 3.48Å; F103-F711 HydrophobicContact CD2-CE2 3.48Å; F103-F711 VanDerWaalsContact CD2-CE2 3.48Å; F103-F711 AromaticContact CD2-CZ 3.54Å; F103-F711 HydrophobicContact CD2-CZ 3.54Å; F103-F711 HydrophobicContact CE1-CE2 4.35Å; F103-F711 AromaticContact CE2-CE2 3.58Å; F103-F711 HydrophobicContact CE2-CE2 3.58Å; F103-F711 HydrophobicContact CE2-CZ 4.09Å; F103-F711 AromaticContact CG-CE2 3.85Å; F103-F711 HydrophobicContact CG-CE2 3.85Å; F103-F711 AromaticContact CG-CZ 3.86Å; F103-F711 HydrophobicContact CG-CZ 3.86Å; F103-F711 HydrophobicContact CZ-CE2 4.02Å; F103-F715 HydrophobicContact CE2-CD1 4.3Å; F103-F715 HydrophobicContact CE2-CD2 4.34Å; F103-F715 AromaticContact CE2-CE1 3.79Å; F103-F715 HydrophobicContact CE2-CE1 3.79Å; F103-F715 AromaticContact CE2-CE2 3.84Å; F103-F715 HydrophobicContact CE2-CE2 3.84Å; F103-F715 AromaticContact CE2-CZ 3.52Å; F103-F715 HydrophobicContact CE2-CZ 3.52Å; F103-F715 HydrophobicContact CZ-CE1 4.46Å; F103-F715 HydrophobicContact CZ-CE2 4.08Å; F103-F715 AromaticContact CZ-CZ 3.8Å; F103-F715 HydrophobicContact CZ-CZ 3.8Å; F103-L723 HydrophobicContact CB-CD1 3.95Å
104	F	93.4	Very high	86.6	Confident	38 Å²	38	58.7 Å²	58.7	17%	0.167	34%	0.338	C	S	.	.	H	α-helix	trans	-69.6	-46.8	175.2	-179.9	-91.9	0	0	0	110.2	D102 A107 C108 P697 H698 V701 H702	D102-F104 VanDerWaalsContact C-N 3.31Å; D102-F104 PolarHBondContact O-N 3.13Å; D102-F104 WeakPolarHBondContact OD1-CA 3.41Å; D102-F104 WeakPolarHBondContact OD1-CB 3.43Å; D102-F104 PolarHBondContact OD1-N 3.31Å; F104-A107 CarbonylContact O-C 3.47Å; F104-A107 PolarHBondContact O-N 3.23Å; F104-C108 HydrophobicContact CD2-CB 4.47Å; F104-C108 HydrophobicContact CE1-CB 4.18Å; F104-C108 HydrophobicContact CE2-CB 4.15Å; F104-C108 HydrophobicContact CZ-CB 4Å; F104-C108 WeakPolarHBondContact O-CA 3.08Å; F104-C108 WeakPolarHBondContact O-CB 3.42Å; F104-C108 PolarHBondContact O-N 3.13Å; F104-P697 HydrophobicContact CE2-CB 4.02Å; F104-P697 HydrophobicContact CZ-CB 4.37Å; F104-H698 HydrophobicContact CB-CB 4.18Å; F104-H698 HydrophobicContact CD1-CB 3.98Å; F104-H698 HydrophobicContact CD2-CB 4.06Å; F104-H698 HydrophobicContact CE1-CB 4.41Å; F104-H698 HydrophobicContact CE2-CB 4.47Å; F104-H698 HydrophobicContact CG-CB 3.8Å; F104-V701 HydrophobicContact CB-CB 4.35Å; F104-V701 HydrophobicContact CB-CG1 4.29Å; F104-V701 HydrophobicContact CD2-CB 4.23Å; F104-V701 HydrophobicContact CD2-CG2 3.86Å; F104-H702 PolarHBondContact N-NE2 2.9Å
105	S	92.2	Very high	85	Confident	34 Å²	34	59.1 Å²	59.1	24%	0.238	34%	0.341	C	S	.	.	H	α-helix	trans	-67.4	-35.8	174.1	-68.5	0	0	0	0	112.6	N94 D102 A107 G109	N94-S105 WeakPolarHBondContact CB-O 3.09Å; D102-S105 PolarHBondContact OD1-N 2.72Å; D102-S105 WeakPolarHBondContact OD2-CB 3.35Å; D102-S105 PolarHBondContact OD2-N 2.71Å; D102-S105 PolarHBondContact OD2-OG 3.41Å; S105-A107 VanDerWaalsContact C-N 3.31Å; S105-A107 PolarHBondContact O-N 3.37Å; S105-G109 WeakPolarHBondContact O-CA 3.11Å; S105-G109 PolarHBondContact O-N 3.31Å
106	F	94.6	Very high	84.2	Confident	17 Å²	17	55.5 Å²	55.5	8%	0.075	32%	0.318	C	S	.	.	H	α-helix	trans	-58.3	-44.6	169.5	172.8	-102.8	0	0	0	111.6	G93 N94 T95 V97 P99 D102 F103 L667 R675 F715	G93-F106 WeakPolarHBondContact CA-O 3.28Å; N94-F106 PolarHBondContact N-O 3.45Å; T95-F106 HydrophobicContact CG2-CE2 4.38Å; V97-F106 WeakPolarHBondContact O-CD2 3.34Å; P99-F106 HydrophobicContact CB-CD1 4.1Å; P99-F106 HydrophobicContact CB-CD2 4.37Å; P99-F106 HydrophobicContact CB-CE1 4.39Å; P99-F106 HydrophobicContact CB-CG 4.08Å; D102-F106 WeakPolarHBondContact O-CB 3.44Å; D102-F106 PolarHBondContact O-N 2.9Å; F103-F106 AromaticContact CD2-CD1 3.8Å; F103-F106 HydrophobicContact CD2-CD1 3.8Å; F103-F106 HydrophobicContact CD2-CE1 4.46Å; F103-F106 AromaticContact CE2-CD1 3.48Å; F103-F106 HydrophobicContact CE2-CD1 3.48Å; F103-F106 VanDerWaalsContact CE2-CD1 3.48Å; F103-F106 AromaticContact CE2-CE1 3.72Å; F103-F106 HydrophobicContact CE2-CE1 3.72Å; F103-F106 AromaticContact CZ-CD1 3.97Å; F103-F106 HydrophobicContact CZ-CD1 3.97Å; F103-F106 HydrophobicContact CZ-CE1 4.09Å; F106-L667 HydrophobicContact CZ-CD2 4.45Å; F106-R675 PolarHBondContact O-NH1 3.48Å; F106-F715 HydrophobicContact CE1-CE1 4.47Å
107	A	93.8	Very high	83.7	Confident	0 Å²	0	51 Å²	51	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-75.2	-42.6	-177.8	0	0	0	0	0	114.6	F103 F104 S105 R675 A678 Q679	F103-A107 WeakPolarHBondContact O-CB 3.37Å; F103-A107 PolarHBondContact O-N 3.16Å; F104-A107 CarbonylContact O-C 3.47Å; F104-A107 PolarHBondContact O-N 3.23Å; S105-A107 VanDerWaalsContact C-N 3.31Å; S105-A107 PolarHBondContact O-N 3.37Å; A107-R675 PolarHBondContact O-NH2 3.48Å; A107-A678 HydrophobicContact CB-CB 3.46Å; A107-A678 VanDerWaalsContact CB-CB 3.46Å; A107-Q679 PolarHBondContact O-NE2 3.4Å
108	C	91.5	Very high	83.3	Confident	8 Å²	8	50.6 Å²	50.6	5%	0.054	28%	0.282	C	S	.	.	H	α-helix	trans	-129.2	-3.1	-163.1	-50.3	0	0	0	0	113.5	S92 F104 R110 A111 C682	S92-C108 CarbonylContact O-C 3.48Å; S92-C108 VanDerWaalsContact O-CA 3.28Å; S92-C108 WeakPolarHBondContact O-CA 3.49Å; F104-C108 HydrophobicContact CD2-CB 4.47Å; F104-C108 HydrophobicContact CE1-CB 4.18Å; F104-C108 HydrophobicContact CE2-CB 4.15Å; F104-C108 HydrophobicContact CZ-CB 4Å; F104-C108 WeakPolarHBondContact O-CA 3.08Å; F104-C108 WeakPolarHBondContact O-CB 3.42Å; F104-C108 PolarHBondContact O-N 3.13Å; C108-R110 PolarHBondContact O-N 3.19Å; C108-A111 WeakPolarHBondContact O-CB 3.45Å; C108-A111 PolarHBondContact O-N 3.49Å; C108-C682 VanDerWaalsContact CA-SG 3.6Å; C108-C682 HydrophobicContact CB-CB 3.85Å; C108-C682 WeakPolarHBondContact CB-SG 3.44Å; C108-C682 WeakPolarHBondContact SG-CA 3.18Å; C108-C682 WeakPolarHBondContact SG-CB 3.36Å; C108-C682 CovalentContact SG-SG 2.03Å; C108-C682 PolarHBondContact SG-SG 2.91Å
109	G	87.8	Confident	82.9	Confident	39 Å²	39	53.5 Å²	53.5	40%	0.402	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-2.9	-168.2	0	0	0	0	0	116.6	S92 S105	S92-G109 PolarHBondContact O-N 2.98Å; S105-G109 WeakPolarHBondContact O-CA 3.11Å; S105-G109 PolarHBondContact O-N 3.31Å
110	R	86	Confident	82.5	Confident	118 Å²	118	55.1 Å²	55.1	45%	0.445	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.8	4	167.6	-63.2	-171.8	-163.8	154.7	3.5	113.4	A91 S92 G93 N94 S96 C108 K112	A91-R110 WeakPolarHBondContact O-CB 3.48Å; S92-R110 CarbonylContact O-C 3.55Å; S92-R110 PolarHBondContact O-N 2.7Å; G93-R110 WeakPolarHBondContact O-CB 3.46Å; G93-R110 WeakPolarHBondContact O-CD 3.31Å; G93-R110 VanDerWaalsContact O-CG 3.26Å; G93-R110 WeakPolarHBondContact O-CG 3.3Å; G93-R110 PolarHBondContact O-NE 3.09Å; N94-R110 HydrophobicContact CB-CG 4.01Å; N94-R110 PolarHBondContact OD1-NE 3.27Å; N94-R110 VanDerWaalsContact OD1-NE 3.16Å; N94-R110 PolarHBondContact OD1-NH2 3.06Å; S96-R110 PolarHBondContact OG-NH2 3.16Å; C108-R110 PolarHBondContact O-N 3.19Å; R110-K112 PolarHBondContact O-N 2.95Å; R110-K112 VanDerWaalsContact O-N 3.08Å
111	A	74	Confident	82.3	Confident	29 Å²	29	54 Å²	54	24%	0.24	28%	0.283	C	S	.	.	S	Bend	trans	-53.6	121.4	168.5	0	0	0	0	0	107.7	S92 C108 N115	S92-A111 PolarHBondContact O-N 3.43Å; C108-A111 WeakPolarHBondContact O-CB 3.45Å; C108-A111 PolarHBondContact O-N 3.49Å; A111-N115 HydrophobicContact CB-CB 3.97Å
112	K	63.4	Low	82.2	Confident	152 Å²	152	50.3 Å²	50.3	66%	0.661	26%	0.264	S	S	*	.			trans	-56.5	162.2	-178.2	-66.1	-177.1	174.8	-179.9	0	109.9	R110 T114 N115	R110-K112 PolarHBondContact O-N 2.95Å; R110-K112 VanDerWaalsContact O-N 3.08Å; K112-T114 PolarHBondContact O-N 3.43Å; K112-N115 WeakPolarHBondContact CB-OD1 3.44Å; K112-N115 PolarHBondContact O-N 2.92Å
113	E	52	Low	82.2	Confident	154 Å²	154	50.8 Å²	50.8	72%	0.72	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-19.6	179.6	-70.5	-125.1	103.4	0	0	115.1	K684	E113-K684 VanDerWaalsContact O-CD 3.32Å; E113-K684 WeakPolarHBondContact O-CD 3.45Å; E113-K684 VanDerWaalsContact O-CE 3.25Å; E113-K684 WeakPolarHBondContact O-CE 3.23Å; E113-K684 PolarHBondContact O-NZ 3.37Å; E113-K684 IonicContact OE1-NZ 3.27Å; E113-K684 PolarHBondContact OE1-NZ 2.91Å; E113-K684 IonicContact OE2-NZ 3.37Å
114	T	50.4	Low	82.1	Confident	111 Å²	111	56.2 Å²	56.2	68%	0.681	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	-7.8	178.6	52.7	0	0	0	0	114.7	K112 N116	K112-T114 PolarHBondContact O-N 3.43Å; T114-N116 PolarHBondContact O-N 2.98Å
115	N	58.5	Low	82.3	Confident	43 Å²	43	54.5 Å²	54.5	23%	0.23	28%	0.284	C	S	.	.			trans	-85.7	98.9	-170.4	-82.6	48.1	0	0	0	111.7	A111 K112 E120	A111-N115 HydrophobicContact CB-CB 3.97Å; K112-N115 WeakPolarHBondContact CB-OD1 3.44Å; K112-N115 PolarHBondContact O-N 2.92Å; N115-E120 WeakPolarHBondContact CA-OE1 3.35Å; N115-E120 WeakPolarHBondContact CB-OE1 3.45Å; N115-E120 PolarHBondContact ND2-OE1 3.47Å
116	N	74.5	Confident	82.5	Confident	31 Å²	31	55.3 Å²	55.3	17%	0.166	28%	0.284	C	S	.	.			trans	-122.9	110.6	166.7	164.3	-4.6	0	0	0	106.2	T114 F118 Q119 E120	T114-N116 PolarHBondContact O-N 2.98Å; N116-F118 PolarHBondContact O-N 3.36Å; N116-F118 WeakPolarHBondContact OD1-CB 3.38Å; N116-F118 PolarHBondContact OD1-N 2.96Å; N116-F118 VanDerWaalsContact OD1-N 3.11Å; N116-Q119 HydrophobicContact CB-CB 3.9Å; N116-Q119 CarbonylContact O-C 3.58Å; N116-Q119 WeakPolarHBondContact O-CA 3.39Å; N116-Q119 PolarHBondContact O-N 3.45Å; N116-Q119 PolarHBondContact OD1-N 3.12Å; N116-E120 PolarHBondContact O-N 2.8Å
117	S	81.9	Confident	82.6	Confident	5 Å²	5	57.5 Å²	57.5	4%	0.035	30%	0.296	C	S	.	.	H	α-helix	trans	-56.8	-30.4	-171.8	-51	0	0	0	0	113.5	L121	S117-L121 WeakPolarHBondContact O-CB 3.44Å; S117-L121 PolarHBondContact O-N 3.03Å; S117-L121 VanDerWaalsContact O-N 3.13Å
118	F	86.2	Confident	82.7	Confident	26 Å²	26	59.3 Å²	59.3	11%	0.114	30%	0.303	C	S	.	.	H	α-helix	trans	-72.2	-44	174.8	-78.2	-103.6	0	0	0	111.8	N116 L121 A122 V539 L556 F561 V680 R683	N116-F118 PolarHBondContact O-N 3.36Å; N116-F118 WeakPolarHBondContact OD1-CB 3.38Å; N116-F118 PolarHBondContact OD1-N 2.96Å; N116-F118 VanDerWaalsContact OD1-N 3.11Å; F118-L121 PolarHBondContact O-N 3.01Å; F118-A122 VanDerWaalsContact O-CB 3.3Å; F118-A122 WeakPolarHBondContact O-CB 3.5Å; F118-A122 PolarHBondContact O-N 3.05Å; F118-V539 HydrophobicContact CB-CG1 4.37Å; F118-V539 HydrophobicContact CD1-CB 4.43Å; F118-V539 HydrophobicContact CD1-CG1 3.65Å; F118-V539 WeakPolarHBondContact CD1-O 3.42Å; F118-V539 HydrophobicContact CE1-CG1 4.31Å; F118-V539 HydrophobicContact CG-CG1 4.27Å; F118-L556 HydrophobicContact CE1-CD1 4.02Å; F118-F561 HydrophobicContact CB-CZ 4.49Å; F118-F561 HydrophobicContact CD1-CZ 4.24Å; F118-F561 AromaticContact CD2-CE1 3.7Å; F118-F561 HydrophobicContact CD2-CE1 3.7Å; F118-F561 AromaticContact CD2-CZ 3.51Å; F118-F561 HydrophobicContact CD2-CZ 3.51Å; F118-F561 HydrophobicContact CE1-CE1 4.34Å; F118-F561 HydrophobicContact CE1-CZ 4.39Å; F118-F561 HydrophobicContact CE2-CD1 4.45Å; F118-F561 AromaticContact CE2-CE1 3.38Å; F118-F561 HydrophobicContact CE2-CE1 3.38Å; F118-F561 AromaticContact CE2-CZ 3.72Å; F118-F561 HydrophobicContact CE2-CZ 3.72Å; F118-F561 HydrophobicContact CG-CE1 4.33Å; F118-F561 AromaticContact CG-CZ 3.81Å; F118-F561 HydrophobicContact CG-CZ 3.81Å; F118-F561 HydrophobicContact CZ-CD1 4.45Å; F118-F561 AromaticContact CZ-CE1 3.72Å; F118-F561 HydrophobicContact CZ-CE1 3.72Å; F118-F561 HydrophobicContact CZ-CZ 4.14Å; F118-V680 HydrophobicContact CE2-CG1 3.88Å; F118-V680 WeakPolarHBondContact CE2-O 3.41Å; F118-V680 HydrophobicContact CZ-CG1 4.06Å; F118-R683 VanDerWaalsContact CD2-NE 3.25Å
119	Q	85.5	Confident	83	Confident	112 Å²	112	59 Å²	59	52%	0.523	30%	0.301	S	S	.	.	H	α-helix	trans	-69.8	-39.2	178.5	-172.8	175.1	-5.1	0	0	111.7	N116 A122 T123	N116-Q119 HydrophobicContact CB-CB 3.9Å; N116-Q119 CarbonylContact O-C 3.58Å; N116-Q119 WeakPolarHBondContact O-CA 3.39Å; N116-Q119 PolarHBondContact O-N 3.45Å; N116-Q119 PolarHBondContact OD1-N 3.12Å; Q119-A122 PolarHBondContact O-N 3.27Å; Q119-T123 WeakPolarHBondContact O-CB 3.04Å; Q119-T123 PolarHBondContact O-N 3.01Å; Q119-T123 PolarHBondContact O-OG1 3.22Å; Q119-T123 VanDerWaalsContact O-OG1 3.05Å
120	E	87.3	Confident	83.4	Confident	65 Å²	65	60.7 Å²	60.7	30%	0.304	30%	0.295	S	S	.	.	H	α-helix	trans	-58	-50.1	171.9	-74.4	177.4	-151.7	0	0	111.3	N115 N116 T123 K124	N115-E120 WeakPolarHBondContact CA-OE1 3.35Å; N115-E120 WeakPolarHBondContact CB-OE1 3.45Å; N115-E120 PolarHBondContact ND2-OE1 3.47Å; N116-E120 PolarHBondContact O-N 2.8Å; E120-T123 PolarHBondContact O-N 3.02Å; E120-K124 WeakPolarHBondContact O-CB 3.02Å; E120-K124 PolarHBondContact O-N 2.85Å
121	L	91.9	Very high	83.9	Confident	3 Å²	3	61 Å²	61	2%	0.016	30%	0.296	C	S	.	.	H	α-helix	trans	-66.8	-37	178.2	-176	55.4	0	0	0	111.8	S117 F118 T123 K124 N125 V539 G555 Q558 F561	S117-L121 WeakPolarHBondContact O-CB 3.44Å; S117-L121 PolarHBondContact O-N 3.03Å; S117-L121 VanDerWaalsContact O-N 3.13Å; F118-L121 PolarHBondContact O-N 3.01Å; L121-T123 VanDerWaalsContact C-N 3.35Å; L121-T123 PolarHBondContact O-N 2.99Å; L121-K124 HydrophobicContact CD1-CB 4.37Å; L121-K124 HydrophobicContact CD1-CD 4.17Å; L121-K124 CarbonylContact O-C 3.6Å; L121-K124 WeakPolarHBondContact O-CB 3.35Å; L121-K124 PolarHBondContact O-N 2.96Å; L121-N125 WeakPolarHBondContact O-CB 3.39Å; L121-N125 VanDerWaalsContact O-CG 3.22Å; L121-N125 PolarHBondContact O-N 3.35Å; L121-N125 PolarHBondContact O-ND2 3.27Å; L121-V539 HydrophobicContact CB-CG1 4.27Å; L121-V539 HydrophobicContact CB-CG2 4.01Å; L121-V539 HydrophobicContact CD2-CG1 3.95Å; L121-V539 HydrophobicContact CD2-CG2 4.22Å; L121-V539 HydrophobicContact CG-CG1 4.27Å; L121-V539 HydrophobicContact CG-CG2 3.77Å; L121-G555 VanDerWaalsContact CD2-O 3.31Å; L121-G555 WeakPolarHBondContact CD2-O 3.48Å; L121-Q558 HydrophobicContact CD1-CB 4.13Å; L121-Q558 HydrophobicContact CD2-CB 4.18Å; L121-F561 HydrophobicContact CB-CE2 4.17Å; L121-F561 HydrophobicContact CD2-CD2 3.45Å; L121-F561 VanDerWaalsContact CD2-CD2 3.45Å; L121-F561 HydrophobicContact CD2-CE2 3.56Å
122	A	92.5	Very high	84.9	Confident	31 Å²	31	60.6 Å²	60.6	26%	0.256	29%	0.29	S	S	.	.	H	α-helix	trans	-63.7	-41.1	174.4	0	0	0	0	0	111.3	F118 Q119 N125 K126 V539	F118-A122 VanDerWaalsContact O-CB 3.3Å; F118-A122 WeakPolarHBondContact O-CB 3.5Å; F118-A122 PolarHBondContact O-N 3.05Å; Q119-A122 PolarHBondContact O-N 3.27Å; A122-N125 PolarHBondContact O-N 3.48Å; A122-K126 WeakPolarHBondContact O-CG 3.46Å; A122-K126 PolarHBondContact O-N 3.22Å; A122-V539 HydrophobicContact CB-CB 4.47Å; A122-V539 HydrophobicContact CB-CG2 3.91Å
123	T	92.4	Very high	86.4	Confident	51 Å²	51	53.7 Å²	53.7	31%	0.313	26%	0.26	S	S	.	.	H	α-helix	trans	-65.9	-36.9	172.5	-62.5	0	0	0	0	111.9	Q119 E120 L121 K126 N127 M408	Q119-T123 WeakPolarHBondContact O-CB 3.04Å; Q119-T123 PolarHBondContact O-N 3.01Å; Q119-T123 PolarHBondContact O-OG1 3.22Å; Q119-T123 VanDerWaalsContact O-OG1 3.05Å; E120-T123 PolarHBondContact O-N 3.02Å; L121-T123 VanDerWaalsContact C-N 3.35Å; L121-T123 PolarHBondContact O-N 2.99Å; T123-K126 PolarHBondContact O-N 2.99Å; T123-N127 WeakPolarHBondContact O-CB 3.39Å; T123-N127 PolarHBondContact O-N 3.04Å; T123-N127 PolarHBondContact O-ND2 2.78Å; T123-M408 HydrophobicContact CG2-CE 4.23Å
124	K	94.8	Very high	88.4	Confident	114 Å²	114	50 Å²	50	50%	0.496	24%	0.243	S	C	.	.	H	α-helix	trans	-65.1	-41	173.9	-172.7	176.7	-179.1	177.5	0	111.8	E120 L121 N127 R128	E120-K124 WeakPolarHBondContact O-CB 3.02Å; E120-K124 PolarHBondContact O-N 2.85Å; L121-K124 HydrophobicContact CD1-CB 4.37Å; L121-K124 HydrophobicContact CD1-CD 4.17Å; L121-K124 CarbonylContact O-C 3.6Å; L121-K124 WeakPolarHBondContact O-CB 3.35Å; L121-K124 PolarHBondContact O-N 2.96Å; K124-N127 PolarHBondContact O-N 2.98Å; K124-R128 PolarHBondContact O-N 2.69Å
125	N	97	Very high	90.2	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-65.5	-43.6	175.4	-68.2	-16.6	0	0	0	111.3	L121 A122 N127 R128 L129 F426 W537 V539 G555 Q558	L121-N125 WeakPolarHBondContact O-CB 3.39Å; L121-N125 VanDerWaalsContact O-CG 3.22Å; L121-N125 PolarHBondContact O-N 3.35Å; L121-N125 PolarHBondContact O-ND2 3.27Å; A122-N125 PolarHBondContact O-N 3.48Å; N125-N127 PolarHBondContact O-N 3.05Å; N125-R128 WeakPolarHBondContact O-CB 2.77Å; N125-R128 PolarHBondContact O-N 2.85Å; N125-R128 VanDerWaalsContact O-N 3.11Å; N125-L129 PolarHBondContact O-N 3.43Å; N125-F426 HydrophobicContact CB-CE2 3.83Å; N125-F426 HydrophobicContact CB-CZ 4.05Å; N125-W537 HydrophobicContact CB-CB 4.45Å; N125-W537 PolarHBondContact ND2-O 3.49Å; N125-V539 WeakPolarHBondContact ND2-CG2 3.39Å; N125-G555 WeakPolarHBondContact ND2-CA 3.28Å; N125-G555 PolarHBondContact ND2-O 3.44Å; N125-Q558 PolarHBondContact OD1-NE2 2.74Å
126	K	96.4	Very high	90.9	Very high	51 Å²	51	54.3 Å²	54.3	22%	0.222	26%	0.258	C	S	.	.	H	α-helix	trans	-61.7	-39.5	172.5	-70.2	177.4	-175	-176.7	0	112.5	A122 T123 R128 L129 R130 W407 M408 V411 E412	A122-K126 WeakPolarHBondContact O-CG 3.46Å; A122-K126 PolarHBondContact O-N 3.22Å; T123-K126 PolarHBondContact O-N 2.99Å; K126-R128 VanDerWaalsContact C-N 3.34Å; K126-R128 PolarHBondContact O-N 3.38Å; K126-L129 PolarHBondContact O-N 3.19Å; K126-R130 WeakPolarHBondContact O-CB 3.44Å; K126-R130 PolarHBondContact O-N 2.94Å; K126-W407 HydrophobicContact CB-CH2 4.23Å; K126-W407 HydrophobicContact CB-CZ3 3.98Å; K126-M408 HydrophobicContact CD-CG 3.96Å; K126-M408 HydrophobicContact CD-SD 4.23Å; K126-V411 HydrophobicContact CB-CG1 4.48Å; K126-E412 IonicContact NZ-OE1 3.37Å; K126-E412 PolarHBondContact NZ-OE1 3.31Å
127	N	96.5	Very high	91.1	Very high	63 Å²	63	56.5 Å²	56.5	34%	0.337	27%	0.27	S	S	.	.	H	α-helix	trans	-67	-30.6	173	-81.4	-61.6	0	0	0	113.1	T123 K124 N125 R131 W407	T123-N127 WeakPolarHBondContact O-CB 3.39Å; T123-N127 PolarHBondContact O-N 3.04Å; T123-N127 PolarHBondContact O-ND2 2.78Å; K124-N127 PolarHBondContact O-N 2.98Å; N125-N127 PolarHBondContact O-N 3.05Å; N127-R131 PolarHBondContact O-N 2.75Å; N127-W407 VanDerWaalsContact OD1-CH2 3.29Å; N127-W407 WeakPolarHBondContact OD1-CH2 3.1Å; N127-W407 WeakPolarHBondContact OD1-CZ2 3.41Å
128	R	96.5	Very high	91.1	Very high	38 Å²	38	62.5 Å²	62.5	14%	0.143	31%	0.312	C	S	.	.	H	α-helix	trans	-66.7	-49.3	170.9	174	176.8	-78.2	142	-7.6	111.1	K124 N125 K126 R130 R131 I132 F426 E429 A430	K124-R128 PolarHBondContact O-N 2.69Å; N125-R128 WeakPolarHBondContact O-CB 2.77Å; N125-R128 PolarHBondContact O-N 2.85Å; N125-R128 VanDerWaalsContact O-N 3.11Å; K126-R128 VanDerWaalsContact C-N 3.34Å; K126-R128 PolarHBondContact O-N 3.38Å; R128-R130 VanDerWaalsContact C-N 3.31Å; R128-R130 PolarHBondContact O-N 2.93Å; R128-R131 WeakPolarHBondContact O-CB 3.41Å; R128-R131 PolarHBondContact O-N 2.95Å; R128-R131 VanDerWaalsContact O-N 3.09Å; R128-I132 HydrophobicContact CG-CD1 4.03Å; R128-I132 WeakPolarHBondContact O-CG1 3.42Å; R128-I132 PolarHBondContact O-N 3.46Å; R128-F426 HydrophobicContact CB-CE2 4.47Å; R128-F426 HydrophobicContact CG-CD2 4.26Å; R128-F426 HydrophobicContact CG-CE2 4.36Å; R128-E429 WeakPolarHBondContact CD-OE1 3.25Å; R128-E429 WeakPolarHBondContact CG-OE2 3.14Å; R128-E429 IonicContact CZ-OE1 3.52Å; R128-E429 IonicContact NE-OE1 3.97Å; R128-E429 PolarHBondContact NE-OE1 2.68Å; R128-E429 IonicContact NE-OE2 2.69Å; R128-E429 IonicContact NH2-OE1 3.5Å; R128-A430 VanDerWaalsContact NH1-CB 3.31Å
129	L	97.1	Very high	91.1	Very high	2 Å²	2	63.5 Å²	63.5	1%	0.01	32%	0.315	C	S	.	.	H	α-helix	trans	-57.8	-43.5	174.5	-67.7	171.6	0	0	0	111.8	N125 K126 R131 I132 L133 V411 L422 F426 W537	N125-L129 PolarHBondContact O-N 3.43Å; K126-L129 PolarHBondContact O-N 3.19Å; L129-R131 VanDerWaalsContact C-N 3.33Å; L129-R131 PolarHBondContact O-N 3.14Å; L129-I132 WeakPolarHBondContact O-CB 3.3Å; L129-I132 PolarHBondContact O-N 3.23Å; L129-L133 WeakPolarHBondContact O-CG 3.28Å; L129-L133 PolarHBondContact O-N 3.5Å; L129-V411 HydrophobicContact CB-CG1 3.66Å; L129-V411 HydrophobicContact CD1-CG1 3.84Å; L129-V411 HydrophobicContact CG-CG1 4.43Å; L129-L422 HydrophobicContact CD2-CB 4.36Å; L129-L422 HydrophobicContact CD2-CD2 4.25Å; L129-F426 HydrophobicContact CD2-CB 3.95Å; L129-F426 HydrophobicContact CD2-CD2 3.93Å; L129-F426 HydrophobicContact CD2-CG 4.34Å; L129-F426 HydrophobicContact CG-CD2 4.15Å; L129-W537 HydrophobicContact CD1-CB 4.38Å; L129-W537 HydrophobicContact CD1-CD2 3.72Å; L129-W537 HydrophobicContact CD1-CE3 4.29Å; L129-W537 HydrophobicContact CD1-CG 3.76Å; L129-W537 HydrophobicContact CD2-CD2 4.39Å; L129-W537 HydrophobicContact CD2-CE3 4.16Å
130	R	97.2	Very high	91.2	Very high	74 Å²	74	63 Å²	63	28%	0.279	31%	0.313	S	S	.	.	H	α-helix	trans	-53.7	-49.3	172.1	-170.2	-161.9	174.4	-168.6	-20.4	111.5	K126 R128 I132 L133 E134 W407 V411	K126-R130 WeakPolarHBondContact O-CB 3.44Å; K126-R130 PolarHBondContact O-N 2.94Å; R128-R130 VanDerWaalsContact C-N 3.31Å; R128-R130 PolarHBondContact O-N 2.93Å; R130-I132 VanDerWaalsContact C-N 3.34Å; R130-I132 PolarHBondContact O-N 2.94Å; R130-L133 CarbonylContact O-C 2.97Å; R130-L133 PolarHBondContact O-N 3.32Å; R130-L133 VanDerWaalsContact O-N 3.16Å; R130-E134 HydrophobicContact CG-CG 4.33Å; R130-E134 IonicContact CZ-OE1 3.23Å; R130-E134 IonicContact CZ-OE2 2.68Å; R130-E134 IonicContact NE-OE1 3.59Å; R130-E134 PolarHBondContact NE-OE1 2.04Å; R130-E134 IonicContact NE-OE2 3.97Å; R130-E134 PolarHBondContact NE-OE2 3.27Å; R130-E134 IonicContact NH2-OE1 3.73Å; R130-E134 PolarHBondContact NH2-OE1 3.45Å; R130-E134 IonicContact NH2-OE2 2.73Å; R130-E134 PolarHBondContact NH2-OE2 2.88Å; R130-E134 WeakPolarHBondContact O-CB 3.33Å; R130-E134 WeakPolarHBondContact O-CG 3.5Å; R130-E134 PolarHBondContact O-N 3.18Å; R130-W407 HydrophobicContact CB-CE3 3.84Å; R130-W407 HydrophobicContact CB-CZ3 4.04Å; R130-W407 HydrophobicContact CG-CB 4.41Å; R130-W407 HydrophobicContact CG-CD2 4.16Å; R130-W407 HydrophobicContact CG-CE3 3.77Å; R130-W407 HydrophobicContact CG-CG 4.45Å; R130-W407 HydrophobicContact CG-CZ3 4.42Å; R130-V411 HydrophobicContact CB-CG2 3.9Å; R130-V411 HydrophobicContact CG-CG2 4.41Å
131	R	96.3	Very high	91.1	Very high	124 Å²	124	65.4 Å²	65.4	47%	0.468	33%	0.334	S	S	.	.	H	α-helix	trans	-61	-42.5	178.3	-152.6	-160.8	-34.5	127.4	16.9	111.8	N127 R128 L129 L133 E134 V135 E429	N127-R131 PolarHBondContact O-N 2.75Å; R128-R131 WeakPolarHBondContact O-CB 3.41Å; R128-R131 PolarHBondContact O-N 2.95Å; R128-R131 VanDerWaalsContact O-N 3.09Å; L129-R131 VanDerWaalsContact C-N 3.33Å; L129-R131 PolarHBondContact O-N 3.14Å; R131-L133 VanDerWaalsContact C-N 3.26Å; R131-L133 PolarHBondContact O-N 2.98Å; R131-E134 PolarHBondContact O-N 3.47Å; R131-V135 HydrophobicContact CG-CG2 4.4Å; R131-V135 WeakPolarHBondContact O-CG2 3.35Å; R131-V135 PolarHBondContact O-N 3.1Å; R131-E429 IonicContact CZ-OE1 2.73Å; R131-E429 VanDerWaalsContact CZ-OE1 3.26Å; R131-E429 IonicContact CZ-OE2 3.46Å; R131-E429 VanDerWaalsContact NH1-CD 3.32Å; R131-E429 IonicContact NH1-OE1 2.8Å; R131-E429 PolarHBondContact NH1-OE1 2.94Å; R131-E429 IonicContact NH1-OE2 2.98Å; R131-E429 PolarHBondContact NH1-OE2 3.37Å; R131-E429 IonicContact NH2-OE1 3.32Å; R131-E429 PolarHBondContact NH2-OE1 2.9Å; R131-E429 IonicContact NH2-OE2 3.49Å
132	I	94.1	Very high	90.9	Very high	22 Å²	22	66.2 Å²	66.2	11%	0.113	34%	0.343	C	S	.	.	H	α-helix	trans	-59.9	-38.8	176.2	-68.5	165.6	0	0	0	111	R128 L129 R130 L425	R128-I132 HydrophobicContact CG-CD1 4.03Å; R128-I132 WeakPolarHBondContact O-CG1 3.42Å; R128-I132 PolarHBondContact O-N 3.46Å; L129-I132 WeakPolarHBondContact O-CB 3.3Å; L129-I132 PolarHBondContact O-N 3.23Å; R130-I132 VanDerWaalsContact C-N 3.34Å; R130-I132 PolarHBondContact O-N 2.94Å; I132-L425 HydrophobicContact CD1-CB 4.45Å; I132-L425 HydrophobicContact CG2-CB 4.06Å; I132-L425 HydrophobicContact CG2-CD1 3.83Å; I132-L425 HydrophobicContact CG2-CG 4.46Å
133	L	95.7	Very high	90.9	Very high	6 Å²	6	64.9 Å²	64.9	3%	0.031	33%	0.332	C	S	.	.	H	α-helix	trans	-83.2	-17.5	179.3	-71.1	166.8	0	0	0	114.7	L129 R130 R131 A148 F149 Y152 V411 T414 L422	L129-L133 WeakPolarHBondContact O-CG 3.28Å; L129-L133 PolarHBondContact O-N 3.5Å; R130-L133 CarbonylContact O-C 2.97Å; R130-L133 PolarHBondContact O-N 3.32Å; R130-L133 VanDerWaalsContact O-N 3.16Å; R131-L133 VanDerWaalsContact C-N 3.26Å; R131-L133 PolarHBondContact O-N 2.98Å; L133-A148 HydrophobicContact CD2-CB 4.15Å; L133-F149 WeakPolarHBondContact O-CD2 3.43Å; L133-Y152 HydrophobicContact CB-CD1 3.87Å; L133-Y152 HydrophobicContact CB-CD2 4.24Å; L133-Y152 HydrophobicContact CB-CE1 4.25Å; L133-Y152 HydrophobicContact CB-CG 3.86Å; L133-Y152 HydrophobicContact CD1-CD2 3.83Å; L133-Y152 HydrophobicContact CD1-CE2 4.46Å; L133-Y152 HydrophobicContact CD1-CG 4.06Å; L133-Y152 HydrophobicContact CG-CG 4.38Å; L133-V411 HydrophobicContact CD1-CG2 4.31Å; L133-T414 HydrophobicContact CD1-CG2 4.11Å; L133-T414 HydrophobicContact CD2-CG2 4.08Å; L133-L422 HydrophobicContact CD1-CD2 4.26Å; L133-L422 HydrophobicContact CD2-CD2 4.13Å; L133-L422 HydrophobicContact CG-CD2 4.15Å
134	E	94.1	Very high	90.9	Very high	76 Å²	76	62.5 Å²	62.5	36%	0.355	32%	0.317	S	S	.	.	H	α-helix	trans	-100.7	-15	178.7	-74.2	179.6	176.5	0	0	113.6	R130 R131 Q136 Y152	R130-E134 HydrophobicContact CG-CG 4.33Å; R130-E134 IonicContact CZ-OE1 3.23Å; R130-E134 IonicContact CZ-OE2 2.68Å; R130-E134 IonicContact NE-OE1 3.59Å; R130-E134 PolarHBondContact NE-OE1 2.04Å; R130-E134 IonicContact NE-OE2 3.97Å; R130-E134 PolarHBondContact NE-OE2 3.27Å; R130-E134 IonicContact NH2-OE1 3.73Å; R130-E134 PolarHBondContact NH2-OE1 3.45Å; R130-E134 IonicContact NH2-OE2 2.73Å; R130-E134 PolarHBondContact NH2-OE2 2.88Å; R130-E134 WeakPolarHBondContact O-CB 3.33Å; R130-E134 WeakPolarHBondContact O-CG 3.5Å; R130-E134 PolarHBondContact O-N 3.18Å; R131-E134 PolarHBondContact O-N 3.47Å; E134-Q136 PolarHBondContact O-N 3.11Å; E134-Y152 HydrophobicContact CG-CE1 3.6Å; E134-Y152 PolarHBondContact OE1-OH 2.89Å
135	V	88.2	Confident	90.9	Very high	67 Å²	67	57.7 Å²	57.7	41%	0.406	30%	0.296	S	S	.	.	S	Bend	trans	-72.9	115.7	173.9	171.8	0	0	0	0	109.7	R131 N137	R131-V135 HydrophobicContact CG-CG2 4.4Å; R131-V135 WeakPolarHBondContact O-CG2 3.35Å; R131-V135 PolarHBondContact O-N 3.1Å; V135-N137 PolarHBondContact O-N 2.94Å; V135-N137 PolarHBondContact O-ND2 2.66Å
136	Q	73.7	Confident	90.7	Very high	178 Å²	178	59.9 Å²	59.9	83%	0.832	31%	0.307	S	S	*	.			trans	-70.4	95.3	177.3	-169.5	169.4	5.4	0	0	110.6	E134	E134-Q136 PolarHBondContact O-N 3.11Å
137	N	78.9	Confident	90.6	Very high	77 Å²	77	58.7 Å²	58.7	41%	0.412	30%	0.301	S	S	.	.			trans	-107.4	152.6	175.5	-67.5	-51.7	0	0	0	111	V135 W139	V135-N137 PolarHBondContact O-N 2.94Å; V135-N137 PolarHBondContact O-ND2 2.66Å; N137-W139 VanDerWaalsContact C-N 3.31Å; N137-W139 HydrophobicContact CB-CD2 3.93Å; N137-W139 HydrophobicContact CB-CE3 4.2Å; N137-W139 HydrophobicContact CB-CH2 4.14Å; N137-W139 HydrophobicContact CB-CZ2 3.84Å; N137-W139 HydrophobicContact CB-CZ3 4.3Å; N137-W139 VanDerWaalsContact ND2-CH2 3.29Å; N137-W139 WeakPolarHBondContact ND2-CH2 3.48Å; N137-W139 VanDerWaalsContact ND2-CZ2 3.27Å; N137-W139 WeakPolarHBondContact ND2-CZ2 3.34Å; N137-W139 PolarHBondContact O-N 2.98Å
138	S	81.5	Confident	90.6	Very high	132 Å²	132	55.8 Å²	55.8	92%	0.923	29%	0.286	S	S	*	.			trans	-76.7	83	164.3	-56.2	0	0	0	0	109.8
139	W	85.4	Confident	90.5	Very high	46 Å²	46	56.2 Å²	56.2	17%	0.174	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-65.7	156.9	172.1	-55.1	120	0	0	0	111.2	N137 E145 E146 F149	N137-W139 VanDerWaalsContact C-N 3.31Å; N137-W139 HydrophobicContact CB-CD2 3.93Å; N137-W139 HydrophobicContact CB-CE3 4.2Å; N137-W139 HydrophobicContact CB-CH2 4.14Å; N137-W139 HydrophobicContact CB-CZ2 3.84Å; N137-W139 HydrophobicContact CB-CZ3 4.3Å; N137-W139 VanDerWaalsContact ND2-CH2 3.29Å; N137-W139 WeakPolarHBondContact ND2-CH2 3.48Å; N137-W139 VanDerWaalsContact ND2-CZ2 3.27Å; N137-W139 WeakPolarHBondContact ND2-CZ2 3.34Å; N137-W139 PolarHBondContact O-N 2.98Å; W139-E145 HydrophobicContact CB-CB 4.37Å; W139-E145 HydrophobicContact CD2-CB 3.49Å; W139-E145 VanDerWaalsContact CD2-CB 3.49Å; W139-E145 HydrophobicContact CD2-CG 4.37Å; W139-E145 HydrophobicContact CE3-CB 3.29Å; W139-E145 HydrophobicContact CE3-CG 3.68Å; W139-E145 HydrophobicContact CG-CB 3.98Å; W139-E145 HydrophobicContact CH2-CB 4.25Å; W139-E145 HydrophobicContact CH2-CG 4.36Å; W139-E145 HydrophobicContact CZ2-CB 4.42Å; W139-E145 HydrophobicContact CZ3-CB 3.71Å; W139-E145 HydrophobicContact CZ3-CG 3.67Å; W139-E146 HydrophobicContact CB-CB 3.87Å; W139-E146 HydrophobicContact CB-CG 4.44Å; W139-F149 AromaticContact NE1-CG 3.86Å
140	H	87	Confident	90.4	Very high	103 Å²	103	59.9 Å²	59.9	48%	0.477	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-71.2	131.5	172.5	-67.5	-73.2	0	0	0	109.3	G142 S143 R492	H140-G142 PolarHBondContact O-N 2.93Å; H140-S143 VanDerWaalsContact O-CB 3.26Å; H140-S143 WeakPolarHBondContact O-CB 3.47Å; H140-S143 PolarHBondContact O-N 3.28Å; H140-S143 PolarHBondContact O-OG 3.38Å; H140-R492 PolarHBondContact CD2-NE 3.33Å; H140-R492 PolarHBondContact NE2-NE 3.23Å
141	P	87.2	Confident	90.4	Very high	114 Å²	114	56.3 Å²	56.3	74%	0.74	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	131.3	178.6	-27	35.3	0	0	0	112	S143 E146	P141-S143 VanDerWaalsContact C-N 3.29Å; P141-S143 PolarHBondContact O-N 3.12Å; P141-E146 WeakPolarHBondContact CA-OE2 3.17Å
142	G	86.4	Confident	90.5	Very high	20 Å²	20	50.5 Å²	50.5	21%	0.206	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.1	-10.1	-176.9	0	0	0	0	0	115.5	H140 E146	H140-G142 PolarHBondContact O-N 2.93Å; G142-E146 PolarHBondContact N-OE2 3.3Å
143	S	92.5	Very high	90.5	Very high	4 Å²	4	52.3 Å²	52.3	3%	0.028	28%	0.281	C	S	.	.			trans	-68.4	159.6	-176.3	94.8	0	0	0	0	112.9	H140 P141 E145 E146 K147	H140-S143 VanDerWaalsContact O-CB 3.26Å; H140-S143 WeakPolarHBondContact O-CB 3.47Å; H140-S143 PolarHBondContact O-N 3.28Å; H140-S143 PolarHBondContact O-OG 3.38Å; P141-S143 VanDerWaalsContact C-N 3.29Å; P141-S143 PolarHBondContact O-N 3.12Å; S143-E145 PolarHBondContact O-N 3.19Å; S143-E145 PolarHBondContact OG-N 3.04Å; S143-E145 PolarHBondContact OG-OE2 3.43Å; S143-E146 PolarHBondContact O-N 2.88Å; S143-E146 VanDerWaalsContact O-N 3.15Å; S143-E146 PolarHBondContact OG-N 3.43Å; S143-K147 PolarHBondContact O-N 2.72Å
144	G	92.9	Very high	90.6	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-57.6	-36.5	174.7	0	0	0	0	0	113	K147 A148 Q493	G144-K147 PolarHBondContact O-N 3.11Å; G144-A148 WeakPolarHBondContact O-CB 3.37Å; G144-A148 PolarHBondContact O-N 2.88Å; G144-Q493 WeakPolarHBondContact CA-O 3.42Å; G144-Q493 PolarHBondContact N-O 3.32Å
145	E	93.7	Very high	90.7	Very high	13 Å²	13	49.9 Å²	49.9	6%	0.061	27%	0.273	C	S	.	.	H	α-helix	trans	-61.2	-46.3	174.7	-59.5	130.5	138.2	0	0	111.7	W139 S143 F149 T421 L425 A491	W139-E145 HydrophobicContact CB-CB 4.37Å; W139-E145 HydrophobicContact CD2-CB 3.49Å; W139-E145 VanDerWaalsContact CD2-CB 3.49Å; W139-E145 HydrophobicContact CD2-CG 4.37Å; W139-E145 HydrophobicContact CE3-CB 3.29Å; W139-E145 HydrophobicContact CE3-CG 3.68Å; W139-E145 HydrophobicContact CG-CB 3.98Å; W139-E145 HydrophobicContact CH2-CB 4.25Å; W139-E145 HydrophobicContact CH2-CG 4.36Å; W139-E145 HydrophobicContact CZ2-CB 4.42Å; W139-E145 HydrophobicContact CZ3-CB 3.71Å; W139-E145 HydrophobicContact CZ3-CG 3.67Å; S143-E145 PolarHBondContact O-N 3.19Å; S143-E145 PolarHBondContact OG-N 3.04Å; S143-E145 PolarHBondContact OG-OE2 3.43Å; E145-F149 VanDerWaalsContact O-CB 3.3Å; E145-F149 WeakPolarHBondContact O-CB 3.46Å; E145-F149 PolarHBondContact O-N 3.08Å; E145-T421 HydrophobicContact CG-CG2 4.21Å; E145-L425 HydrophobicContact CG-CD1 4.04Å; E145-L425 HydrophobicContact CG-CD2 4.28Å; E145-A491 HydrophobicContact CG-CB 4.24Å; E145-A491 VanDerWaalsContact CG-O 3.3Å; E145-A491 WeakPolarHBondContact CG-O 3.42Å; E145-A491 PolarHBondContact N-O 3.33Å
146	E	93.4	Very high	91.2	Very high	48 Å²	48	49.5 Å²	49.5	22%	0.224	27%	0.267	C	S	.	.	H	α-helix	trans	-62.5	-48	178.7	-168.3	-166.4	-156	0	0	110.9	W139 P141 G142 S143 A148 F149 Q150	W139-E146 HydrophobicContact CB-CB 3.87Å; W139-E146 HydrophobicContact CB-CG 4.44Å; P141-E146 WeakPolarHBondContact CA-OE2 3.17Å; G142-E146 PolarHBondContact N-OE2 3.3Å; S143-E146 PolarHBondContact O-N 2.88Å; S143-E146 VanDerWaalsContact O-N 3.15Å; S143-E146 PolarHBondContact OG-N 3.43Å; E146-A148 PolarHBondContact O-N 3.43Å; E146-F149 WeakPolarHBondContact O-CB 3.34Å; E146-F149 PolarHBondContact O-N 2.86Å; E146-Q150 HydrophobicContact CG-CG 4.35Å; E146-Q150 WeakPolarHBondContact O-CB 3.38Å; E146-Q150 VanDerWaalsContact O-CG 3.31Å; E146-Q150 WeakPolarHBondContact O-CG 3.27Å; E146-Q150 PolarHBondContact O-N 3.22Å; E146-Q150 PolarHBondContact OE1-NE2 3.26Å
147	K	94.9	Very high	92.3	Very high	25 Å²	25	44.6 Å²	44.6	11%	0.109	25%	0.247	C	C	.	.	H	α-helix	trans	-68	-36.5	-177.8	-65.5	-170.7	-179.6	-159.9	0	112.4	S143 G144 F151 F418 Y495 I498	S143-K147 PolarHBondContact O-N 2.72Å; G144-K147 PolarHBondContact O-N 3.11Å; K147-F151 VanDerWaalsContact O-CB 3.28Å; K147-F151 WeakPolarHBondContact O-CB 3.22Å; K147-F151 PolarHBondContact O-N 2.99Å; K147-F418 HydrophobicContact CB-CD1 4.48Å; K147-F418 HydrophobicContact CB-CE1 3.64Å; K147-F418 HydrophobicContact CB-CZ 4.17Å; K147-Y495 PolarHBondContact NZ-O 3.39Å; K147-I498 HydrophobicContact CD-CB 4.48Å; K147-I498 PolarHBondContact NZ-O 3.44Å
148	A	95.8	Very high	93.1	Very high	2 Å²	2	43.7 Å²	43.7	2%	0.017	24%	0.244	C	C	.	.	H	α-helix	trans	-64.4	-43	172.8	0	0	0	0	0	111.7	L133 G144 E146 Y152 T414 F418	L133-A148 HydrophobicContact CD2-CB 4.15Å; G144-A148 WeakPolarHBondContact O-CB 3.37Å; G144-A148 PolarHBondContact O-N 2.88Å; E146-A148 PolarHBondContact O-N 3.43Å; A148-Y152 WeakPolarHBondContact O-CB 3.39Å; A148-Y152 PolarHBondContact O-N 3.47Å; A148-T414 HydrophobicContact CB-CG2 3.92Å; A148-T414 WeakPolarHBondContact O-CG2 3.19Å; A148-F418 HydrophobicContact CB-CB 3.83Å; A148-F418 HydrophobicContact CB-CD1 4.06Å; A148-F418 HydrophobicContact CB-CD2 4.18Å; A148-F418 HydrophobicContact CB-CG 3.75Å
149	F	95.2	Very high	93.9	Very high	47 Å²	47	44 Å²	44	21%	0.206	24%	0.235	C	C	.	.	H	α-helix	trans	-62.1	-49.4	174.9	172.7	-98.5	0	0	0	112.1	L133 W139 E145 E146 F151 Y152 N153	L133-F149 WeakPolarHBondContact O-CD2 3.43Å; W139-F149 AromaticContact NE1-CG 3.86Å; E145-F149 VanDerWaalsContact O-CB 3.3Å; E145-F149 WeakPolarHBondContact O-CB 3.46Å; E145-F149 PolarHBondContact O-N 3.08Å; E146-F149 WeakPolarHBondContact O-CB 3.34Å; E146-F149 PolarHBondContact O-N 2.86Å; F149-F151 PolarHBondContact O-N 2.88Å; F149-Y152 PolarHBondContact O-N 2.78Å; F149-N153 WeakPolarHBondContact CD1-ND2 3.44Å; F149-N153 WeakPolarHBondContact CE1-ND2 3.43Å; F149-N153 WeakPolarHBondContact CE2-ND2 3.44Å; F149-N153 WeakPolarHBondContact CZ-ND2 3.44Å; F149-N153 VanDerWaalsContact O-CG 3.31Å; F149-N153 PolarHBondContact O-N 3.37Å; F149-N153 PolarHBondContact O-ND2 2.94Å
150	Q	94.9	Very high	94.5	Very high	79 Å²	79	44.2 Å²	44.2	37%	0.369	25%	0.246	S	C	.	.	H	α-helix	trans	-61.8	-42.8	177.8	-71.7	174.7	1.2	0	0	111.7	E146 N153 S154 L500	E146-Q150 HydrophobicContact CG-CG 4.35Å; E146-Q150 WeakPolarHBondContact O-CB 3.38Å; E146-Q150 VanDerWaalsContact O-CG 3.31Å; E146-Q150 WeakPolarHBondContact O-CG 3.27Å; E146-Q150 PolarHBondContact O-N 3.22Å; E146-Q150 PolarHBondContact OE1-NE2 3.26Å; Q150-N153 PolarHBondContact O-N 3.23Å; Q150-S154 WeakPolarHBondContact O-CB 3.38Å; Q150-S154 PolarHBondContact O-N 3.28Å; Q150-L500 HydrophobicContact CB-CD1 3.34Å; Q150-L500 HydrophobicContact CG-CD1 4.48Å
151	F	97	Very high	95	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-62.1	-48.6	175.3	-179.3	-88.7	0	0	0	111.5	K147 F149 N153 S154 C155 E413 T414 F417 F418 L500 F504 V508 C511	K147-F151 VanDerWaalsContact O-CB 3.28Å; K147-F151 WeakPolarHBondContact O-CB 3.22Å; K147-F151 PolarHBondContact O-N 2.99Å; F149-F151 PolarHBondContact O-N 2.88Å; F151-N153 VanDerWaalsContact C-N 3.32Å; F151-N153 PolarHBondContact O-N 3.39Å; F151-S154 PolarHBondContact O-N 2.71Å; F151-S154 VanDerWaalsContact O-N 3.16Å; F151-S154 PolarHBondContact O-OG 2.96Å; F151-C155 PolarHBondContact O-N 3.35Å; F151-E413 HydrophobicContact CE1-CB 4.1Å; F151-E413 HydrophobicContact CZ-CB 4.44Å; F151-T414 HydrophobicContact CD1-CG2 4.17Å; F151-T414 WeakPolarHBondContact CD1-OG1 3.34Å; F151-F417 AromaticContact CE1-CD2 3.85Å; F151-F417 HydrophobicContact CE1-CD2 3.85Å; F151-F417 HydrophobicContact CE1-CE2 4.3Å; F151-F417 AromaticContact CE2-CD2 3.93Å; F151-F417 HydrophobicContact CE2-CD2 3.93Å; F151-F417 HydrophobicContact CE2-CE2 4.13Å; F151-F417 AromaticContact CZ-CD2 3.47Å; F151-F417 HydrophobicContact CZ-CD2 3.47Å; F151-F417 VanDerWaalsContact CZ-CD2 3.47Å; F151-F417 AromaticContact CZ-CE2 3.59Å; F151-F417 HydrophobicContact CZ-CE2 3.59Å; F151-F418 HydrophobicContact CB-CD2 4.47Å; F151-F418 HydrophobicContact CB-CE2 3.57Å; F151-F418 HydrophobicContact CB-CZ 4.06Å; F151-F418 HydrophobicContact CD1-CE2 4.13Å; F151-F418 HydrophobicContact CD2-CE2 4.23Å; F151-F418 AromaticContact CG-CE2 3.7Å; F151-F418 HydrophobicContact CG-CE2 3.7Å; F151-F418 HydrophobicContact CG-CZ 4.49Å; F151-L500 HydrophobicContact CB-CD1 4.39Å; F151-L500 HydrophobicContact CB-CD2 4.22Å; F151-L500 HydrophobicContact CD2-CD2 4.06Å; F151-F504 HydrophobicContact CE1-CE2 4.24Å; F151-F504 AromaticContact CE2-CE2 3.95Å; F151-F504 HydrophobicContact CE2-CE2 3.95Å; F151-F504 AromaticContact CZ-CE2 3.67Å; F151-F504 HydrophobicContact CZ-CE2 3.67Å; F151-F504 HydrophobicContact CZ-CZ 4.17Å; F151-V508 HydrophobicContact CE2-CG2 3.97Å; F151-V508 HydrophobicContact CZ-CG2 3.99Å; F151-C511 HydrophobicContact CE2-CB 4.49Å
152	Y	97.3	Very high	95.5	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.008	21%	0.207	C	C	.	.	H	α-helix	trans	-55.9	-46.1	176.9	175.7	-100	0	0	0	111.9	L133 E134 A148 F149 C155 M156 W407 C410 V411	L133-Y152 HydrophobicContact CB-CD1 3.87Å; L133-Y152 HydrophobicContact CB-CD2 4.24Å; L133-Y152 HydrophobicContact CB-CE1 4.25Å; L133-Y152 HydrophobicContact CB-CG 3.86Å; L133-Y152 HydrophobicContact CD1-CD2 3.83Å; L133-Y152 HydrophobicContact CD1-CE2 4.46Å; L133-Y152 HydrophobicContact CD1-CG 4.06Å; L133-Y152 HydrophobicContact CG-CG 4.38Å; E134-Y152 HydrophobicContact CG-CE1 3.6Å; E134-Y152 PolarHBondContact OE1-OH 2.89Å; A148-Y152 WeakPolarHBondContact O-CB 3.39Å; A148-Y152 PolarHBondContact O-N 3.47Å; F149-Y152 PolarHBondContact O-N 2.78Å; Y152-C155 WeakPolarHBondContact O-CB 3.42Å; Y152-C155 PolarHBondContact O-N 3.41Å; Y152-M156 HydrophobicContact CD1-CG 4.23Å; Y152-M156 HydrophobicContact CD2-CG 4.48Å; Y152-M156 HydrophobicContact CE1-CG 3.74Å; Y152-M156 HydrophobicContact CE2-CG 4.01Å; Y152-M156 HydrophobicContact CE2-SD 4.47Å; Y152-M156 WeakPolarHBondContact O-CG 3.39Å; Y152-M156 PolarHBondContact O-N 2.96Å; Y152-W407 WeakPolarHBondContact OH-CB 3.06Å; Y152-C410 HydrophobicContact CD2-CB 3.66Å; Y152-C410 HydrophobicContact CE2-CB 3.6Å; Y152-V411 HydrophobicContact CD2-CG2 4.49Å; Y152-V411 HydrophobicContact CE2-CG2 3.9Å
153	N	96	Very high	96	Very high	60 Å²	60	41.2 Å²	41.2	32%	0.321	23%	0.233	S	C	.	.	H	α-helix	trans	-64	-41.9	177.2	-69.8	-28.5	0	0	0	112.1	F149 Q150 F151 C155 M156 D157	F149-N153 WeakPolarHBondContact CD1-ND2 3.44Å; F149-N153 WeakPolarHBondContact CE1-ND2 3.43Å; F149-N153 WeakPolarHBondContact CE2-ND2 3.44Å; F149-N153 WeakPolarHBondContact CZ-ND2 3.44Å; F149-N153 VanDerWaalsContact O-CG 3.31Å; F149-N153 PolarHBondContact O-N 3.37Å; F149-N153 PolarHBondContact O-ND2 2.94Å; Q150-N153 PolarHBondContact O-N 3.23Å; F151-N153 VanDerWaalsContact C-N 3.32Å; F151-N153 PolarHBondContact O-N 3.39Å; N153-C155 PolarHBondContact O-N 3.32Å; N153-M156 PolarHBondContact O-N 2.73Å; N153-D157 PolarHBondContact O-N 3.46Å
154	S	96.6	Very high	96.2	Very high	31 Å²	31	42.8 Å²	42.8	22%	0.217	25%	0.246	C	C	.	.	H	α-helix	trans	-63.5	-29.8	175.1	76.3	0	0	0	0	113	Q150 F151	Q150-S154 WeakPolarHBondContact O-CB 3.38Å; Q150-S154 PolarHBondContact O-N 3.28Å; F151-S154 PolarHBondContact O-N 2.71Å; F151-S154 VanDerWaalsContact O-N 3.16Å; F151-S154 PolarHBondContact O-OG 2.96Å
155	C	97.5	Very high	96.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-71.7	-39.7	170.3	-179.4	0	0	0	0	111.7	F151 Y152 N153 R406 C410 F504	F151-C155 PolarHBondContact O-N 3.35Å; Y152-C155 WeakPolarHBondContact O-CB 3.42Å; Y152-C155 PolarHBondContact O-N 3.41Å; N153-C155 PolarHBondContact O-N 3.32Å; C155-R406 PolarHBondContact O-NE 2.85Å; C155-R406 PolarHBondContact O-NH2 2.98Å; C155-C410 HydrophobicContact CB-CB 3.65Å; C155-C410 WeakPolarHBondContact CB-SG 3.45Å; C155-C410 WeakPolarHBondContact SG-CA 3.47Å; C155-C410 WeakPolarHBondContact SG-CB 3.49Å; C155-C410 CovalentContact SG-SG 2.04Å; C155-C410 PolarHBondContact SG-SG 3.32Å; C155-F504 VanDerWaalsContact CA-CE2 3.47Å; C155-F504 HydrophobicContact CB-CD2 4.09Å; C155-F504 HydrophobicContact CB-CE1 4.5Å; C155-F504 HydrophobicContact CB-CE2 3.4Å; C155-F504 VanDerWaalsContact CB-CE2 3.4Å; C155-F504 HydrophobicContact CB-CZ 3.63Å
156	M	97.2	Very high	96.4	Very high	58 Å²	58	44.2 Å²	44.2	29%	0.286	26%	0.259	S	S	.	.	H	α-helix	trans	-73.8	-30.9	-177.3	-76.1	-64.9	-72.5	0	0	113.9	Y152 N153 T158 R406 W407 C410	Y152-M156 HydrophobicContact CD1-CG 4.23Å; Y152-M156 HydrophobicContact CD2-CG 4.48Å; Y152-M156 HydrophobicContact CE1-CG 3.74Å; Y152-M156 HydrophobicContact CE2-CG 4.01Å; Y152-M156 HydrophobicContact CE2-SD 4.47Å; Y152-M156 WeakPolarHBondContact O-CG 3.39Å; Y152-M156 PolarHBondContact O-N 2.96Å; N153-M156 PolarHBondContact O-N 2.73Å; M156-T158 PolarHBondContact O-N 3.46Å; M156-R406 HydrophobicContact SD-CG 4.26Å; M156-W407 HydrophobicContact CE-CB 4.01Å; M156-W407 WeakPolarHBondContact SD-CA 3.28Å; M156-W407 HydrophobicContact SD-CB 3.9Å; M156-C410 HydrophobicContact CG-CB 4.22Å; M156-C410 HydrophobicContact SD-CB 4.2Å
157	D	96.9	Very high	96.5	Very high	75 Å²	75	43.8 Å²	43.8	40%	0.401	27%	0.267	S	S	.	.			trans	-72.3	86.7	179.2	-170	-11.5	0	0	0	112.2	N153 L159 A160 I161	N153-D157 PolarHBondContact O-N 3.46Å; D157-L159 VanDerWaalsContact C-N 3.28Å; D157-L159 PolarHBondContact O-N 2.99Å; D157-L159 WeakPolarHBondContact OD1-CB 3.48Å; D157-L159 PolarHBondContact OD1-N 2.8Å; D157-A160 HydrophobicContact CB-CB 4.24Å; D157-A160 PolarHBondContact OD1-N 3.19Å; D157-A160 WeakPolarHBondContact OD2-CB 3.29Å; D157-I161 WeakPolarHBondContact O-CD1 3.43Å; D157-I161 VanDerWaalsContact O-CG1 3.31Å; D157-I161 WeakPolarHBondContact O-CG1 3.49Å; D157-I161 PolarHBondContact O-N 3.36Å
158	T	96.6	Very high	96.5	Very high	59 Å²	59	43.3 Å²	43.3	36%	0.362	27%	0.266	S	S	.	.	H	α-helix	trans	-64.8	-30.4	173.6	49.8	0	0	0	0	112.7	M156 I161 E162 R406	M156-T158 PolarHBondContact O-N 3.46Å; T158-I161 PolarHBondContact O-N 2.83Å; T158-E162 WeakPolarHBondContact O-CG 3.48Å; T158-E162 PolarHBondContact O-N 3.12Å; T158-R406 VanDerWaalsContact CG2-CD 3.48Å
159	L	97.7	Very high	96.5	Very high	138 Å²	138	43.2 Å²	43.2	72%	0.723	27%	0.266	S	S	*	.	H	α-helix	trans	-68.6	-43.3	-176.2	-65.7	175.7	0	0	0	110.8	D157 I161 A163	D157-L159 VanDerWaalsContact C-N 3.28Å; D157-L159 PolarHBondContact O-N 2.99Å; D157-L159 WeakPolarHBondContact OD1-CB 3.48Å; D157-L159 PolarHBondContact OD1-N 2.8Å; L159-I161 VanDerWaalsContact C-N 3.31Å; L159-I161 PolarHBondContact O-N 3.48Å; L159-A163 VanDerWaalsContact O-CB 3.23Å; L159-A163 WeakPolarHBondContact O-CB 3.21Å; L159-A163 PolarHBondContact O-N 3.19Å
160	A	97.4	Very high	96.5	Very high	51 Å²	51	45.9 Å²	45.9	42%	0.421	28%	0.275	S	S	.	.	H	α-helix	trans	-62.5	-37	172.7	0	0	0	0	0	112.5	D157 A164	D157-A160 HydrophobicContact CB-CB 4.24Å; D157-A160 PolarHBondContact OD1-N 3.19Å; D157-A160 WeakPolarHBondContact OD2-CB 3.29Å; A160-A164 WeakPolarHBondContact O-CB 3.26Å; A160-A164 PolarHBondContact O-N 3.46Å
161	I	97.7	Very high	96.4	Very high	9 Å²	9	46.2 Å²	46.2	5%	0.046	28%	0.276	C	S	.	.	H	α-helix	trans	-70	-46.8	179.1	-67	169	0	0	0	111.7	D157 T158 L159 A163 A164 G165 L377 F504	D157-I161 WeakPolarHBondContact O-CD1 3.43Å; D157-I161 VanDerWaalsContact O-CG1 3.31Å; D157-I161 WeakPolarHBondContact O-CG1 3.49Å; D157-I161 PolarHBondContact O-N 3.36Å; T158-I161 PolarHBondContact O-N 2.83Å; L159-I161 VanDerWaalsContact C-N 3.31Å; L159-I161 PolarHBondContact O-N 3.48Å; I161-A163 VanDerWaalsContact C-N 3.31Å; I161-A163 PolarHBondContact O-N 3.01Å; I161-A164 PolarHBondContact O-N 3.24Å; I161-G165 PolarHBondContact O-N 3.02Å; I161-G165 VanDerWaalsContact O-N 3.13Å; I161-L377 WeakPolarHBondContact CG2-O 3.49Å; I161-F504 HydrophobicContact CD1-CB 3.71Å; I161-F504 HydrophobicContact CD1-CD1 3.77Å; I161-F504 HydrophobicContact CD1-CG 3.86Å; I161-F504 HydrophobicContact CG1-CB 3.68Å; I161-F504 HydrophobicContact CG1-CD1 4.5Å; I161-F504 HydrophobicContact CG1-CG 4.38Å
162	E	97.8	Very high	96.3	Very high	74 Å²	74	46.6 Å²	46.6	35%	0.346	28%	0.278	S	S	.	.	H	α-helix	trans	-62.4	-39.3	174.7	-61.7	-49.4	119	0	0	111.2	T158 A164 G165 S379	T158-E162 WeakPolarHBondContact O-CG 3.48Å; T158-E162 PolarHBondContact O-N 3.12Å; E162-A164 VanDerWaalsContact C-N 3.35Å; E162-A164 PolarHBondContact O-N 3.35Å; E162-G165 PolarHBondContact O-N 3.12Å; E162-S379 WeakPolarHBondContact OE1-CB 3.27Å; E162-S379 PolarHBondContact OE1-N 3.08Å; E162-S379 VanDerWaalsContact OE2-CB 3.26Å; E162-S379 WeakPolarHBondContact OE2-CB 3.29Å; E162-S379 PolarHBondContact OE2-N 3.02Å; E162-S379 PolarHBondContact OE2-OG 2.88Å
163	A	97.4	Very high	96.2	Very high	90 Å²	90	46.9 Å²	46.9	74%	0.744	28%	0.28	S	S	*	.	H	α-helix	trans	-66.7	-32.7	178.4	0	0	0	0	0	113.3	L159 I161	L159-A163 VanDerWaalsContact O-CB 3.23Å; L159-A163 WeakPolarHBondContact O-CB 3.21Å; L159-A163 PolarHBondContact O-N 3.19Å; I161-A163 VanDerWaalsContact C-N 3.31Å; I161-A163 PolarHBondContact O-N 3.01Å
164	A	96.9	Very high	96	Very high	38 Å²	38	50.8 Å²	50.8	31%	0.314	30%	0.296	S	S	.	.	H	α-helix	trans	-74	-34	174.9	0	0	0	0	0	112.8	A160 I161 E162 T166 G167 P168	A160-A164 WeakPolarHBondContact O-CB 3.26Å; A160-A164 PolarHBondContact O-N 3.46Å; I161-A164 PolarHBondContact O-N 3.24Å; E162-A164 VanDerWaalsContact C-N 3.35Å; E162-A164 PolarHBondContact O-N 3.35Å; A164-T166 PolarHBondContact O-N 2.88Å; A164-G167 PolarHBondContact O-N 3.35Å; A164-G167 VanDerWaalsContact O-N 3.1Å; A164-P168 HydrophobicContact CB-CG 4.02Å; A164-P168 WeakPolarHBondContact O-CD 3.21Å
165	G	95.5	Very high	95.7	Very high	14 Å²	14	54 Å²	54	14%	0.144	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.1	-132.3	176.3	0	0	0	0	0	113.8	I161 E162 G167 D378	I161-G165 PolarHBondContact O-N 3.02Å; I161-G165 VanDerWaalsContact O-N 3.13Å; E162-G165 PolarHBondContact O-N 3.12Å; G165-G167 VanDerWaalsContact C-N 3.29Å; G165-G167 PolarHBondContact O-N 3.41Å; G165-D378 WeakPolarHBondContact CA-OD2 3.23Å
166	T	95	Very high	95.6	Very high	29 Å²	29	54 Å²	54	18%	0.178	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-12.3	178.7	60.4	0	0	0	0	115	A164 L169 R170 L260 L261 F381	A164-T166 PolarHBondContact O-N 2.88Å; T166-L169 PolarHBondContact O-N 2.95Å; T166-R170 PolarHBondContact O-N 3.01Å; T166-L260 WeakPolarHBondContact CG2-O 3.24Å; T166-L261 HydrophobicContact CG2-CD2 4.28Å; T166-F381 HydrophobicContact CG2-CE2 3.75Å; T166-F381 HydrophobicContact CG2-CZ 3.89Å
167	G	94.8	Very high	95.3	Very high	39 Å²	39	51.5 Å²	51.5	40%	0.402	30%	0.296	S	S	.	.	H	α-helix	trans	-53.8	-54.9	-170.3	0	0	0	0	0	113.8	A164 G165 L169 R170 Q171	A164-G167 PolarHBondContact O-N 3.35Å; A164-G167 VanDerWaalsContact O-N 3.1Å; G165-G167 VanDerWaalsContact C-N 3.29Å; G165-G167 PolarHBondContact O-N 3.41Å; G167-L169 VanDerWaalsContact C-N 3.31Å; G167-L169 PolarHBondContact O-N 3.38Å; G167-R170 PolarHBondContact O-N 3.48Å; G167-Q171 PolarHBondContact O-N 3.22Å; G167-Q171 VanDerWaalsContact O-N 3.11Å
168	P	95.7	Very high	95.1	Very high	14 Å²	14	48.1 Å²	48.1	9%	0.091	28%	0.279	C	S	.	.	H	α-helix	trans	-58.6	-37.2	178.8	-27.2	36.3	0	0	0	114	A164 V172 S503 L505	A164-P168 HydrophobicContact CB-CG 4.02Å; A164-P168 WeakPolarHBondContact O-CD 3.21Å; P168-V172 WeakPolarHBondContact O-CG2 3.28Å; P168-V172 PolarHBondContact O-N 3.41Å; P168-S503 WeakPolarHBondContact CG-OG 3.45Å; P168-L505 HydrophobicContact CB-CB 4.02Å; P168-L505 HydrophobicContact CB-CD2 3.69Å; P168-L505 HydrophobicContact CB-CG 4.42Å
169	L	95.7	Very high	94.9	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-74.6	-36.3	178.1	179.2	59.6	0	0	0	112	T166 G167 Q171 V172 I173 L261 V370 L373 L377 F381 L505	T166-L169 PolarHBondContact O-N 2.95Å; G167-L169 VanDerWaalsContact C-N 3.31Å; G167-L169 PolarHBondContact O-N 3.38Å; L169-Q171 VanDerWaalsContact C-N 3.34Å; L169-Q171 PolarHBondContact O-N 2.67Å; L169-V172 HydrophobicContact CD1-CG1 4.49Å; L169-V172 WeakPolarHBondContact O-CB 3.45Å; L169-V172 PolarHBondContact O-N 3.43Å; L169-I173 HydrophobicContact CD1-CD1 4.31Å; L169-I173 HydrophobicContact CD1-CG1 4.33Å; L169-I173 HydrophobicContact CG-CD1 3.97Å; L169-I173 HydrophobicContact CG-CG1 4.44Å; L169-I173 WeakPolarHBondContact O-CG1 3.3Å; L169-I173 PolarHBondContact O-N 3.34Å; L169-L261 HydrophobicContact CD2-CD1 4.18Å; L169-L261 HydrophobicContact CD2-CD2 3.77Å; L169-L261 HydrophobicContact CD2-CG 4.47Å; L169-L261 HydrophobicContact CG-CD2 4.19Å; L169-V370 HydrophobicContact CD1-CG2 4.29Å; L169-V370 HydrophobicContact CD2-CB 4.38Å; L169-V370 HydrophobicContact CD2-CG1 3.9Å; L169-V370 HydrophobicContact CD2-CG2 3.97Å; L169-V370 HydrophobicContact CG-CG2 4.49Å; L169-L373 HydrophobicContact CD1-CB 4.47Å; L169-L373 HydrophobicContact CD1-CD1 3.94Å; L169-L377 HydrophobicContact CB-CD1 4.1Å; L169-L377 HydrophobicContact CB-CD2 4.11Å; L169-L377 HydrophobicContact CD2-CD1 3.45Å; L169-L377 VanDerWaalsContact CD2-CD1 3.45Å; L169-L377 HydrophobicContact CG-CD1 4.33Å; L169-F381 HydrophobicContact CD2-CE1 4.31Å; L169-L505 HydrophobicContact CB-CD2 4.23Å
170	R	94.9	Very high	94.5	Very high	104 Å²	104	45.1 Å²	45.1	39%	0.392	25%	0.252	S	S	.	.	H	α-helix	trans	-61.4	-43.1	175	-77	179	170.7	169.8	-1.2	111.5	T166 G167 V172 I173 E174 L261	T166-R170 PolarHBondContact O-N 3.01Å; G167-R170 PolarHBondContact O-N 3.48Å; R170-V172 VanDerWaalsContact C-N 3.34Å; R170-V172 PolarHBondContact O-N 3.1Å; R170-I173 PolarHBondContact O-N 3.19Å; R170-I173 VanDerWaalsContact O-N 3.17Å; R170-E174 WeakPolarHBondContact O-CG 3.41Å; R170-E174 PolarHBondContact O-N 2.85Å; R170-L261 HydrophobicContact CG-CD2 4.4Å; R170-L261 PolarHBondContact NE-O 3.03Å; R170-L261 PolarHBondContact NH2-O 3.45Å
171	Q	93.5	Very high	94.2	Very high	86 Å²	86	43 Å²	43	40%	0.402	23%	0.233	S	C	.	.	H	α-helix	trans	-56.2	-47.6	173.3	-173.9	-170.4	-22.1	0	0	111.6	G167 L169 I173 E174 E175	G167-Q171 PolarHBondContact O-N 3.22Å; G167-Q171 VanDerWaalsContact O-N 3.11Å; L169-Q171 VanDerWaalsContact C-N 3.34Å; L169-Q171 PolarHBondContact O-N 2.67Å; Q171-I173 VanDerWaalsContact C-N 3.33Å; Q171-I173 PolarHBondContact O-N 2.93Å; Q171-E174 PolarHBondContact O-N 3.49Å; Q171-E175 PolarHBondContact NE2-OE1 3Å; Q171-E175 WeakPolarHBondContact O-CG 3.47Å; Q171-E175 PolarHBondContact O-N 3.39Å
172	V	94.4	Very high	93.6	Very high	7 Å²	7	44.2 Å²	44.2	4%	0.042	24%	0.243	C	C	.	.	H	α-helix	trans	-60	-40.9	176.6	164.1	0	0	0	0	112.4	P168 L169 R170 L176 Y201 L369 L373 L509	P168-V172 WeakPolarHBondContact O-CG2 3.28Å; P168-V172 PolarHBondContact O-N 3.41Å; L169-V172 HydrophobicContact CD1-CG1 4.49Å; L169-V172 WeakPolarHBondContact O-CB 3.45Å; L169-V172 PolarHBondContact O-N 3.43Å; R170-V172 VanDerWaalsContact C-N 3.34Å; R170-V172 PolarHBondContact O-N 3.1Å; V172-L176 HydrophobicContact CG1-CD1 4.22Å; V172-L176 WeakPolarHBondContact O-CG 3.38Å; V172-L176 PolarHBondContact O-N 3.11Å; V172-Y201 HydrophobicContact CB-CE1 4.38Å; V172-Y201 HydrophobicContact CG1-CD1 4.26Å; V172-Y201 HydrophobicContact CG1-CE1 3.46Å; V172-Y201 VanDerWaalsContact CG1-CE1 3.46Å; V172-Y201 HydrophobicContact CG2-CE1 4.04Å; V172-L369 HydrophobicContact CG1-CD2 3.71Å; V172-L373 HydrophobicContact CG1-CD1 4.16Å; V172-L509 HydrophobicContact CG2-CD1 3.7Å
173	I	95	Very high	92.7	Very high	8 Å²	8	43 Å²	43	4%	0.041	25%	0.25	C	C	.	.	H	α-helix	trans	-65.1	-40.4	176.7	-69.8	169	0	0	0	110.8	L169 R170 Q171 L176 G177 G178 W179 L261 I366 V370	L169-I173 HydrophobicContact CD1-CD1 4.31Å; L169-I173 HydrophobicContact CD1-CG1 4.33Å; L169-I173 HydrophobicContact CG-CD1 3.97Å; L169-I173 HydrophobicContact CG-CG1 4.44Å; L169-I173 WeakPolarHBondContact O-CG1 3.3Å; L169-I173 PolarHBondContact O-N 3.34Å; R170-I173 PolarHBondContact O-N 3.19Å; R170-I173 VanDerWaalsContact O-N 3.17Å; Q171-I173 VanDerWaalsContact C-N 3.33Å; Q171-I173 PolarHBondContact O-N 2.93Å; I173-L176 CarbonylContact O-C 3.53Å; I173-L176 PolarHBondContact O-N 3.06Å; I173-G177 PolarHBondContact O-N 2.76Å; I173-G178 WeakPolarHBondContact O-CA 3.29Å; I173-G178 PolarHBondContact O-N 3.01Å; I173-W179 HydrophobicContact CD1-CZ2 4.38Å; I173-W179 HydrophobicContact CG2-CG 4.44Å; I173-L261 HydrophobicContact CD1-CD1 3.93Å; I173-L261 HydrophobicContact CD1-CD2 4.25Å; I173-I366 HydrophobicContact CD1-CG2 4.27Å; I173-I366 HydrophobicContact CG1-CG2 3.86Å; I173-I366 HydrophobicContact CG2-CG2 4.25Å; I173-V370 HydrophobicContact CD1-CG2 4Å
174	E	92.2	Very high	91.9	Very high	142 Å²	142	48.1 Å²	48.1	66%	0.664	26%	0.255	S	S	*	.	H	α-helix	trans	-67.5	-41.7	177.2	-72.1	172.3	-179.8	0	0	112.4	R170 Q171 L176 G177	R170-E174 WeakPolarHBondContact O-CG 3.41Å; R170-E174 PolarHBondContact O-N 2.85Å; Q171-E174 PolarHBondContact O-N 3.49Å; E174-L176 PolarHBondContact O-N 3.04Å; E174-G177 PolarHBondContact O-N 3.46Å
175	E	90.9	Very high	91.3	Very high	99 Å²	99	48.8 Å²	48.8	46%	0.463	25%	0.25	S	C	.	.	H	α-helix	trans	-58.4	-29.2	172.2	-74	175.3	-159.6	0	0	112.6	Q171 G177 Y201	Q171-E175 PolarHBondContact NE2-OE1 3Å; Q171-E175 WeakPolarHBondContact O-CG 3.47Å; Q171-E175 PolarHBondContact O-N 3.39Å; E175-G177 VanDerWaalsContact C-N 3.32Å; E175-Y201 PolarHBondContact OE2-OH 2.87Å
176	L	93.7	Very high	90.4	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	13.1	175	-67	168.9	0	0	0	113.8	V172 I173 E174 T193 L196 L197 Y201 Q362 I366 L369	V172-L176 HydrophobicContact CG1-CD1 4.22Å; V172-L176 WeakPolarHBondContact O-CG 3.38Å; V172-L176 PolarHBondContact O-N 3.11Å; I173-L176 CarbonylContact O-C 3.53Å; I173-L176 PolarHBondContact O-N 3.06Å; E174-L176 PolarHBondContact O-N 3.04Å; L176-T193 HydrophobicContact CD2-CG2 4.36Å; L176-L196 HydrophobicContact CD2-CB 3.62Å; L176-L196 HydrophobicContact CD2-CD1 4.14Å; L176-L197 HydrophobicContact CD1-CD2 3.85Å; L176-L197 HydrophobicContact CD2-CG 4.46Å; L176-Y201 HydrophobicContact CD1-CD2 4.38Å; L176-Y201 HydrophobicContact CD1-CE2 3.99Å; L176-Y201 HydrophobicContact CD2-CE2 4Å; L176-Y201 HydrophobicContact CG-CE2 4.18Å; L176-Q362 PolarHBondContact O-NE2 3.34Å; L176-I366 HydrophobicContact CB-CD1 3.71Å; L176-I366 HydrophobicContact CD1-CD1 3.85Å; L176-I366 HydrophobicContact CG-CD1 4.41Å; L176-L369 HydrophobicContact CD1-CD2 3.32Å
177	G	91.8	Very high	89.2	Confident	4 Å²	4	53.8 Å²	53.8	4%	0.041	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.7	7.5	174.7	0	0	0	0	0	115.2	I173 E174 E175 T186	I173-G177 PolarHBondContact O-N 2.76Å; E174-G177 PolarHBondContact O-N 3.46Å; E175-G177 VanDerWaalsContact C-N 3.32Å; G177-T186 WeakPolarHBondContact CA-OG1 3.35Å; G177-T186 PolarHBondContact O-N 3.15Å; G177-T186 VanDerWaalsContact O-O 3.05Å; G177-T186 PolarHBondContact O-OG1 3.27Å
178	G	92.5	Very high	87.9	Confident	4 Å²	4	53.7 Å²	53.7	4%	0.041	27%	0.27	C	S	.	.			trans	72.3	-168.4	-179	0	0	0	0	0	114.1	I173 Q362	I173-G178 WeakPolarHBondContact O-CA 3.29Å; I173-G178 PolarHBondContact O-N 3.01Å; G178-Q362 PolarHBondContact O-NE2 3.48Å
179	W	92.2	Very high	87.5	Confident	2 Å²	2	57.7 Å²	57.7	1%	0.008	29%	0.291	C	S	.	.			trans	-156.4	171.7	179.7	65.3	-6.8	0	0	0	109.9	I173 I181 S182 G183 L261 I366 L367 V370	I173-W179 HydrophobicContact CD1-CZ2 4.38Å; I173-W179 HydrophobicContact CG2-CG 4.44Å; W179-I181 HydrophobicContact CD2-CB 3.86Å; W179-I181 HydrophobicContact CD2-CD1 4.21Å; W179-I181 HydrophobicContact CD2-CG1 4.3Å; W179-I181 HydrophobicContact CE3-CB 4.33Å; W179-I181 HydrophobicContact CE3-CD1 3.78Å; W179-I181 HydrophobicContact CE3-CG1 4.34Å; W179-I181 HydrophobicContact CG-CB 4.23Å; W179-I181 HydrophobicContact CH2-CB 4.46Å; W179-I181 HydrophobicContact CH2-CD1 4.03Å; W179-I181 HydrophobicContact CH2-CG2 4.39Å; W179-I181 HydrophobicContact CZ2-CB 3.95Å; W179-I181 HydrophobicContact CZ2-CD1 4.39Å; W179-I181 HydrophobicContact CZ2-CG2 3.89Å; W179-I181 HydrophobicContact CZ3-CD1 3.74Å; W179-S182 PolarHBondContact NE1-OG 3.43Å; W179-G183 CarbonylContact O-C 3.56Å; W179-G183 VanDerWaalsContact O-O 3.1Å; W179-L261 HydrophobicContact CH2-CD1 3.73Å; W179-L261 HydrophobicContact CZ2-CB 4.32Å; W179-L261 HydrophobicContact CZ2-CD1 3.55Å; W179-I366 HydrophobicContact CD2-CB 4.36Å; W179-I366 HydrophobicContact CD2-CG2 3.84Å; W179-I366 HydrophobicContact CE3-CB 3.63Å; W179-I366 HydrophobicContact CE3-CG2 3.38Å; W179-I366 HydrophobicContact CG-CG2 4.44Å; W179-I366 HydrophobicContact CH2-CG2 4.42Å; W179-I366 HydrophobicContact CZ3-CB 4.1Å; W179-I366 HydrophobicContact CZ3-CG2 3.66Å; W179-L367 HydrophobicContact CH2-CD2 3.86Å; W179-L367 HydrophobicContact CH2-CG 4.46Å; W179-L367 HydrophobicContact CZ3-CB 4.46Å; W179-L367 HydrophobicContact CZ3-CD2 3.61Å; W179-L367 HydrophobicContact CZ3-CG 3.71Å; W179-V370 HydrophobicContact CH2-CG2 4.21Å
180	R	90.5	Very high	87.4	Confident	133 Å²	133	58.2 Å²	58.2	50%	0.502	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-9.7	-178	-78.2	-166.2	172.3	-170.7	-11.6	115.4	W185 H271 D359	R180-W185 HydrophobicContact CG-CB 4.08Å; R180-W185 HydrophobicContact CG-CE3 4.41Å; R180-H271 WeakPolarHBondContact CB-NE2 3.36Å; R180-D359 VanDerWaalsContact CD-OD2 3.23Å; R180-D359 WeakPolarHBondContact CD-OD2 3.29Å; R180-D359 HydrophobicContact CG-CB 4.23Å; R180-D359 IonicContact CZ-OD2 3.32Å; R180-D359 VanDerWaalsContact CZ-OD2 3.32Å; R180-D359 IonicContact NE-OD2 3.44Å; R180-D359 PolarHBondContact NE-OD2 3.35Å; R180-D359 IonicContact NH1-OD2 2.74Å; R180-D359 PolarHBondContact NH1-OD2 3.48Å
181	I	89.8	Confident	87.4	Confident	5 Å²	5	54.8 Å²	54.8	3%	0.026	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-58.4	-176.4	-69.4	177.6	0	0	0	111.5	W179 G263 V268 H271 L367	W179-I181 HydrophobicContact CD2-CB 3.86Å; W179-I181 HydrophobicContact CD2-CD1 4.21Å; W179-I181 HydrophobicContact CD2-CG1 4.3Å; W179-I181 HydrophobicContact CE3-CB 4.33Å; W179-I181 HydrophobicContact CE3-CD1 3.78Å; W179-I181 HydrophobicContact CE3-CG1 4.34Å; W179-I181 HydrophobicContact CG-CB 4.23Å; W179-I181 HydrophobicContact CH2-CB 4.46Å; W179-I181 HydrophobicContact CH2-CD1 4.03Å; W179-I181 HydrophobicContact CH2-CG2 4.39Å; W179-I181 HydrophobicContact CZ2-CB 3.95Å; W179-I181 HydrophobicContact CZ2-CD1 4.39Å; W179-I181 HydrophobicContact CZ2-CG2 3.89Å; W179-I181 HydrophobicContact CZ3-CD1 3.74Å; I181-G263 WeakPolarHBondContact O-CA 3.36Å; I181-V268 HydrophobicContact CG2-CG2 3.53Å; I181-H271 HydrophobicContact CD1-CB 3.64Å; I181-H271 HydrophobicContact CG1-CB 3.72Å; I181-L367 HydrophobicContact CD1-CD1 4.35Å; I181-L367 HydrophobicContact CD1-CD2 4.25Å; I181-L367 HydrophobicContact CD1-CG 4.31Å
182	S	84.8	Confident	87.5	Confident	36 Å²	36	57.3 Å²	57.3	25%	0.252	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.9	13.5	-171.5	70.8	0	0	0	0	115.4	W179 L261	W179-S182 PolarHBondContact NE1-OG 3.43Å; S182-L261 VanDerWaalsContact CB-O 3.3Å; S182-L261 WeakPolarHBondContact CB-O 3.27Å; S182-L261 PolarHBondContact OG-O 3.47Å
183	G	79	Confident	87.5	Confident	48 Å²	48	57 Å²	57	50%	0.495	29%	0.286	S	S	.	.	S	Bend	trans	-163	-166.6	-176.3	0	0	0	0	0	114.3	W179	W179-G183 CarbonylContact O-C 3.56Å; W179-G183 VanDerWaalsContact O-O 3.1Å
184	K	81.2	Confident	87.6	Confident	197 Å²	197	56.7 Å²	56.7	86%	0.857	29%	0.285	S	S	*	.			trans	-86.9	123.7	171.5	-68.6	-178.5	-179.6	176.8	0	108.9	T186	K184-T186 PolarHBondContact O-N 2.73Å
185	W	83.8	Confident	87.7	Confident	52 Å²	52	54.2 Å²	54.2	20%	0.197	27%	0.269	C	S	.	.			trans	-86.3	107	169.2	179.3	45.1	0	0	0	110.1	R180 S187 R358 D359 Q362	R180-W185 HydrophobicContact CG-CB 4.08Å; R180-W185 HydrophobicContact CG-CE3 4.41Å; W185-S187 WeakPolarHBondContact CH2-OG 3.46Å; W185-S187 WeakPolarHBondContact CZ2-OG 3.37Å; W185-R358 HydrophobicContact CH2-CB 4.13Å; W185-R358 HydrophobicContact CH2-CG 3.83Å; W185-R358 HydrophobicContact CZ2-CG 4.07Å; W185-D359 HydrophobicContact CE3-CB 3.91Å; W185-D359 HydrophobicContact CH2-CB 4.03Å; W185-D359 HydrophobicContact CZ3-CB 3.61Å; W185-Q362 HydrophobicContact CZ2-CB 4.21Å
186	T	77.6	Confident	87.9	Confident	88 Å²	88	51.7 Å²	51.7	54%	0.54	26%	0.259	S	S	.	.			trans	-79.5	118.5	161.2	52.6	0	0	0	0	107.8	G177 K184 L188	G177-T186 WeakPolarHBondContact CA-OG1 3.35Å; G177-T186 PolarHBondContact O-N 3.15Å; G177-T186 VanDerWaalsContact O-O 3.05Å; G177-T186 PolarHBondContact O-OG1 3.27Å; K184-T186 PolarHBondContact O-N 2.73Å; T186-L188 VanDerWaalsContact C-N 3.26Å; T186-L188 PolarHBondContact O-N 2.74Å
187	S	68.6	Low	88	Confident	60 Å²	60	51.6 Å²	51.6	42%	0.42	26%	0.258	S	S	.	.			trans	-73.5	72.9	-167.7	-159.7	0	0	0	0	113.3	W185 R358	W185-S187 WeakPolarHBondContact CH2-OG 3.46Å; W185-S187 WeakPolarHBondContact CZ2-OG 3.37Å; S187-R358 PolarHBondContact O-NH2 3.03Å; S187-R358 PolarHBondContact OG-NH1 3.32Å; S187-R358 PolarHBondContact OG-NH2 2.83Å; S187-R358 VanDerWaalsContact OG-NH2 3.13Å
188	L	67.9	Low	88.2	Confident	38 Å²	38	51.4 Å²	51.4	20%	0.199	26%	0.256	C	S	.	.			trans	-60	147.5	175.2	-69.8	-172.4	0	0	0	111.4	T186 F190 R358	T186-L188 VanDerWaalsContact C-N 3.26Å; T186-L188 PolarHBondContact O-N 2.74Å; L188-F190 PolarHBondContact O-N 2.99Å; L188-R358 VanDerWaalsContact C-NH2 3.33Å; L188-R358 PolarHBondContact O-NH2 3.32Å
189	N	87.4	Confident	88.2	Confident	98 Å²	98	52.1 Å²	52.1	52%	0.524	26%	0.26	S	S	.	.			trans	-55.5	128.2	171.1	179.6	-47.8	0	0	0	109.4	N191 R192 T193	N189-N191 VanDerWaalsContact C-N 3.32Å; N189-N191 PolarHBondContact O-N 3.3Å; N189-N191 PolarHBondContact OD1-N 3.16Å; N189-R192 HydrophobicContact CB-CB 4.18Å; N189-R192 WeakPolarHBondContact O-CA 3.34Å; N189-R192 VanDerWaalsContact O-CB 3.3Å; N189-R192 WeakPolarHBondContact O-CB 3.14Å; N189-R192 PolarHBondContact O-N 3.39Å; N189-T193 PolarHBondContact O-N 2.96Å; N189-T193 VanDerWaalsContact O-N 3.12Å
190	F	94.4	Very high	88.2	Confident	11 Å²	11	55.2 Å²	55.2	5%	0.048	28%	0.275	C	S	.	.	H	α-helix	trans	-51.3	-47.7	-178.3	163.9	-97.7	0	0	0	113	L188 R192 T193 L194 F206 I314 V350 L354 L361 M365	L188-F190 PolarHBondContact O-N 2.99Å; F190-R192 PolarHBondContact O-N 2.9Å; F190-T193 PolarHBondContact O-N 2.9Å; F190-T193 VanDerWaalsContact O-N 3.13Å; F190-L194 HydrophobicContact CE1-CD2 4.01Å; F190-L194 HydrophobicContact CZ-CD2 3.99Å; F190-L194 WeakPolarHBondContact O-CB 3.4Å; F190-L194 PolarHBondContact O-N 2.93Å; F190-F206 HydrophobicContact CE2-CD2 4.47Å; F190-F206 AromaticContact CE2-CE2 3.5Å; F190-F206 HydrophobicContact CE2-CE2 3.5Å; F190-F206 AromaticContact CE2-CZ 3.87Å; F190-F206 HydrophobicContact CE2-CZ 3.87Å; F190-F206 HydrophobicContact CZ-CD2 4.09Å; F190-F206 AromaticContact CZ-CE2 3.54Å; F190-F206 HydrophobicContact CZ-CE2 3.54Å; F190-F206 HydrophobicContact CZ-CZ 4.22Å; F190-I314 HydrophobicContact CE1-CD1 3.96Å; F190-I314 HydrophobicContact CZ-CD1 4.21Å; F190-V350 HydrophobicContact CD1-CG1 4.5Å; F190-V350 HydrophobicContact CE1-CG1 3.7Å; F190-V350 HydrophobicContact CE2-CG1 4.13Å; F190-V350 HydrophobicContact CZ-CG1 3.47Å; F190-V350 VanDerWaalsContact CZ-CG1 3.47Å; F190-L354 HydrophobicContact CB-CD2 3.54Å; F190-L354 HydrophobicContact CD1-CD1 4.16Å; F190-L354 HydrophobicContact CD1-CD2 4.31Å; F190-L354 HydrophobicContact CD2-CD2 4.07Å; F190-L354 HydrophobicContact CG-CD1 4.39Å; F190-L354 HydrophobicContact CG-CD2 3.72Å; F190-L361 HydrophobicContact CD2-CD2 3.69Å; F190-L361 HydrophobicContact CD2-CG 4.17Å; F190-L361 HydrophobicContact CE2-CD1 4.46Å; F190-L361 HydrophobicContact CE2-CD2 3.67Å; F190-L361 HydrophobicContact CE2-CG 4Å; F190-M365 HydrophobicContact CD2-CE 3.66Å; F190-M365 HydrophobicContact CD2-SD 3.92Å; F190-M365 HydrophobicContact CE2-CE 4.01Å; F190-M365 HydrophobicContact CE2-SD 3.67Å
191	N	94.6	Very high	88.3	Confident	31 Å²	31	49.5 Å²	49.5	17%	0.166	25%	0.254	C	S	.	.	H	α-helix	trans	-66	-26.5	179.2	-80	-61	0	0	0	112.1	N189 R195 A313 D315	N189-N191 VanDerWaalsContact C-N 3.32Å; N189-N191 PolarHBondContact O-N 3.3Å; N189-N191 PolarHBondContact OD1-N 3.16Å; N191-R195 WeakPolarHBondContact O-CB 3.5Å; N191-R195 PolarHBondContact O-N 3.16Å; N191-A313 PolarHBondContact ND2-O 3.43Å; N191-D315 HydrophobicContact CB-CB 3.92Å; N191-D315 PolarHBondContact OD1-N 3.32Å
192	R	94.5	Very high	88.4	Confident	140 Å²	140	50.2 Å²	50.2	53%	0.528	26%	0.262	S	S	.	.	H	α-helix	trans	-69.4	-45.4	171	-177.3	177	175.5	164.3	-1	111.5	N189 F190 L196	N189-R192 HydrophobicContact CB-CB 4.18Å; N189-R192 WeakPolarHBondContact O-CA 3.34Å; N189-R192 VanDerWaalsContact O-CB 3.3Å; N189-R192 WeakPolarHBondContact O-CB 3.14Å; N189-R192 PolarHBondContact O-N 3.39Å; F190-R192 PolarHBondContact O-N 2.9Å; R192-L196 HydrophobicContact CG-CD1 4.29Å; R192-L196 WeakPolarHBondContact O-CG 3.33Å; R192-L196 PolarHBondContact O-N 3.19Å; R192-L196 VanDerWaalsContact O-N 3.1Å
193	T	95.3	Very high	88.9	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-63	-49.2	176.5	-49.5	0	0	0	0	110.7	L176 N189 F190 R195 L196 L197 Q362 M365 I366	L176-T193 HydrophobicContact CD2-CG2 4.36Å; N189-T193 PolarHBondContact O-N 2.96Å; N189-T193 VanDerWaalsContact O-N 3.12Å; F190-T193 PolarHBondContact O-N 2.9Å; F190-T193 VanDerWaalsContact O-N 3.13Å; T193-R195 PolarHBondContact O-N 3.44Å; T193-L196 PolarHBondContact O-N 3.02Å; T193-L196 VanDerWaalsContact O-N 3.16Å; T193-L197 HydrophobicContact CG2-CD1 4.09Å; T193-L197 WeakPolarHBondContact O-CG 3.26Å; T193-L197 PolarHBondContact O-N 2.86Å; T193-Q362 PolarHBondContact OG1-OE1 3.48Å; T193-M365 HydrophobicContact CG2-CE 3.9Å; T193-M365 HydrophobicContact CG2-SD 4.47Å; T193-I366 HydrophobicContact CG2-CD1 4.49Å
194	L	96.4	Very high	89.7	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-58.3	-47.5	178.5	179.5	60	0	0	0	112	F190 L196 L197 M198 P205 F206 F207 I314 M365	F190-L194 HydrophobicContact CE1-CD2 4.01Å; F190-L194 HydrophobicContact CZ-CD2 3.99Å; F190-L194 WeakPolarHBondContact O-CB 3.4Å; F190-L194 PolarHBondContact O-N 2.93Å; L194-L196 VanDerWaalsContact C-N 3.3Å; L194-L196 PolarHBondContact O-N 3.09Å; L194-L197 WeakPolarHBondContact O-CB 3.32Å; L194-L197 PolarHBondContact O-N 2.61Å; L194-M198 HydrophobicContact CD1-CG 4.13Å; L194-M198 HydrophobicContact CD1-SD 3.86Å; L194-M198 HydrophobicContact CD2-SD 4.47Å; L194-M198 HydrophobicContact CG-SD 3.78Å; L194-M198 VanDerWaalsContact O-CG 3.32Å; L194-M198 WeakPolarHBondContact O-CG 3.31Å; L194-M198 PolarHBondContact O-N 3.26Å; L194-P205 HydrophobicContact CD1-CG 3.83Å; L194-F206 HydrophobicContact CD1-CD2 4Å; L194-F206 HydrophobicContact CD1-CE2 4.23Å; L194-F206 HydrophobicContact CD2-CD2 4.38Å; L194-F207 HydrophobicContact CD2-CE1 4.36Å; L194-I314 HydrophobicContact CD2-CD1 3.86Å; L194-I314 HydrophobicContact CD2-CG2 4.07Å; L194-M365 HydrophobicContact CB-SD 4.41Å
195	R	95.8	Very high	90.5	Very high	91 Å²	91	40 Å²	40	34%	0.343	20%	0.201	S	C	.	.	H	α-helix	trans	-59.6	-38.4	176.3	-175	176.9	73.7	-179.9	5.9	112.7	N191 T193 S199 S318 A322	N191-R195 WeakPolarHBondContact O-CB 3.5Å; N191-R195 PolarHBondContact O-N 3.16Å; T193-R195 PolarHBondContact O-N 3.44Å; R195-S199 VanDerWaalsContact O-CB 3.32Å; R195-S199 WeakPolarHBondContact O-CB 3.3Å; R195-S199 PolarHBondContact O-N 2.96Å; R195-S199 PolarHBondContact O-OG 3.3Å; R195-S318 VanDerWaalsContact CD-O 3.31Å; R195-S318 WeakPolarHBondContact CD-O 3.2Å; R195-S318 WeakPolarHBondContact CD-OG 3.43Å; R195-S318 PolarHBondContact NH1-OG 3.01Å; R195-A322 HydrophobicContact CG-CB 3.48Å; R195-A322 VanDerWaalsContact CG-CB 3.48Å
196	L	94.9	Very high	91.1	Very high	45 Å²	45	37.5 Å²	37.5	24%	0.236	19%	0.192	C	C	.	.	H	α-helix	trans	-68.5	-43.6	175.6	-72.8	170.1	0	0	0	111.4	L176 R192 T193 L194 M198 S199 Q200 Y201	L176-L196 HydrophobicContact CD2-CB 3.62Å; L176-L196 HydrophobicContact CD2-CD1 4.14Å; R192-L196 HydrophobicContact CG-CD1 4.29Å; R192-L196 WeakPolarHBondContact O-CG 3.33Å; R192-L196 PolarHBondContact O-N 3.19Å; R192-L196 VanDerWaalsContact O-N 3.1Å; T193-L196 PolarHBondContact O-N 3.02Å; T193-L196 VanDerWaalsContact O-N 3.16Å; L194-L196 VanDerWaalsContact C-N 3.3Å; L194-L196 PolarHBondContact O-N 3.09Å; L196-M198 PolarHBondContact O-N 3.42Å; L196-S199 PolarHBondContact O-N 3.41Å; L196-Q200 HydrophobicContact CD2-CG 3.98Å; L196-Q200 VanDerWaalsContact O-CB 3.3Å; L196-Q200 WeakPolarHBondContact O-CB 3.5Å; L196-Q200 PolarHBondContact O-N 3.12Å; L196-Y201 WeakPolarHBondContact O-CD2 3.45Å
197	L	95.6	Very high	92.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.166	C	C	.	.	I	π-helix	trans	-56.8	-49.4	174.9	-70.8	167.4	0	0	0	111.9	L176 T193 L194 Y201 G202 H203 M365 L369	L176-L197 HydrophobicContact CD1-CD2 3.85Å; L176-L197 HydrophobicContact CD2-CG 4.46Å; T193-L197 HydrophobicContact CG2-CD1 4.09Å; T193-L197 WeakPolarHBondContact O-CG 3.26Å; T193-L197 PolarHBondContact O-N 2.86Å; L194-L197 WeakPolarHBondContact O-CB 3.32Å; L194-L197 PolarHBondContact O-N 2.61Å; L197-Y201 HydrophobicContact CD2-CD2 4.47Å; L197-Y201 CarbonylContact O-C 3.5Å; L197-Y201 WeakPolarHBondContact O-CB 3.43Å; L197-Y201 PolarHBondContact O-N 3.01Å; L197-G202 PolarHBondContact O-N 3.48Å; L197-H203 CarbonylContact C-O 3.48Å; L197-H203 HydrophobicContact CB-CB 4.44Å; L197-H203 HydrophobicContact CD2-CB 4.4Å; L197-H203 PolarHBondContact O-N 2.96Å; L197-M365 HydrophobicContact CD1-CB 3.73Å; L197-M365 HydrophobicContact CD1-CG 4.25Å; L197-M365 HydrophobicContact CD1-SD 4.08Å; L197-L369 HydrophobicContact CD2-CB 3.92Å; L197-L369 HydrophobicContact CD2-CD1 4.13Å; L197-L369 HydrophobicContact CD2-CD2 3.73Å; L197-L369 HydrophobicContact CD2-CG 4.14Å
198	M	95.5	Very high	93.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.16	C	C	.	.	I	π-helix	trans	-67.7	-40.6	-179.4	-63.4	168.1	68.1	0	0	112.7	L194 L196 H203 F204 F207 A209 C319 T323 R516	L194-M198 HydrophobicContact CD1-CG 4.13Å; L194-M198 HydrophobicContact CD1-SD 3.86Å; L194-M198 HydrophobicContact CD2-SD 4.47Å; L194-M198 HydrophobicContact CG-SD 3.78Å; L194-M198 VanDerWaalsContact O-CG 3.32Å; L194-M198 WeakPolarHBondContact O-CG 3.31Å; L194-M198 PolarHBondContact O-N 3.26Å; L196-M198 PolarHBondContact O-N 3.42Å; M198-H203 PolarHBondContact N-O 2.9Å; M198-F204 HydrophobicContact CB-CD1 4.4Å; M198-F204 HydrophobicContact CB-CE1 4.08Å; M198-F204 HydrophobicContact CE-CD1 4.1Å; M198-F204 HydrophobicContact CE-CE1 3.76Å; M198-F204 HydrophobicContact CG-CD1 3.8Å; M198-F204 HydrophobicContact CG-CE1 3.92Å; M198-F207 HydrophobicContact CE-CE2 3.52Å; M198-F207 HydrophobicContact CE-CZ 3.73Å; M198-F207 HydrophobicContact SD-CE2 4.29Å; M198-F207 HydrophobicContact SD-CZ 3.93Å; M198-A209 HydrophobicContact CE-CB 4.42Å; M198-C319 HydrophobicContact CE-CB 3.99Å; M198-C319 HydrophobicContact SD-CB 3.86Å; M198-T323 WeakPolarHBondContact CB-OG1 3.39Å; M198-R516 PolarHBondContact O-NH2 3.34Å
199	S	93.6	Very high	94.8	Very high	18 Å²	18	32.7 Å²	32.7	13%	0.126	15%	0.153	C	C	.	.	I	π-helix	trans	-85.5	-46	-175.8	60.5	0	0	0	0	114.3	R195 L196 A322	R195-S199 VanDerWaalsContact O-CB 3.32Å; R195-S199 WeakPolarHBondContact O-CB 3.3Å; R195-S199 PolarHBondContact O-N 2.96Å; R195-S199 PolarHBondContact O-OG 3.3Å; L196-S199 PolarHBondContact O-N 3.41Å; S199-A322 VanDerWaalsContact CB-O 3.24Å; S199-A322 WeakPolarHBondContact CB-O 3.24Å
200	Q	91.7	Very high	95.1	Very high	68 Å²	68	31.3 Å²	31.3	32%	0.318	14%	0.141	S	C	.	.	I	π-helix	trans	-93.9	-21.5	-170.3	-58.5	-55.2	-50.9	0	0	114.3	L196 R513	L196-Q200 HydrophobicContact CD2-CG 3.98Å; L196-Q200 VanDerWaalsContact O-CB 3.3Å; L196-Q200 WeakPolarHBondContact O-CB 3.5Å; L196-Q200 PolarHBondContact O-N 3.12Å; Q200-R513 WeakPolarHBondContact O-CG 3.43Å; Q200-R513 PolarHBondContact O-NE 2.89Å
201	Y	93	Very high	94.9	Very high	13 Å²	13	31.7 Å²	31.7	5%	0.051	14%	0.143	C	C	.	.	I	π-helix	trans	-123.1	-16	-174.2	-59.2	-80.2	0	0	0	113.1	V172 E175 L176 L196 L197 H203 L369 L373 L509	V172-Y201 HydrophobicContact CB-CE1 4.38Å; V172-Y201 HydrophobicContact CG1-CD1 4.26Å; V172-Y201 HydrophobicContact CG1-CE1 3.46Å; V172-Y201 VanDerWaalsContact CG1-CE1 3.46Å; V172-Y201 HydrophobicContact CG2-CE1 4.04Å; E175-Y201 PolarHBondContact OE2-OH 2.87Å; L176-Y201 HydrophobicContact CD1-CD2 4.38Å; L176-Y201 HydrophobicContact CD1-CE2 3.99Å; L176-Y201 HydrophobicContact CD2-CE2 4Å; L176-Y201 HydrophobicContact CG-CE2 4.18Å; L196-Y201 WeakPolarHBondContact O-CD2 3.45Å; L197-Y201 HydrophobicContact CD2-CD2 4.47Å; L197-Y201 CarbonylContact O-C 3.5Å; L197-Y201 WeakPolarHBondContact O-CB 3.43Å; L197-Y201 PolarHBondContact O-N 3.01Å; Y201-H203 PolarHBondContact O-N 3.47Å; Y201-L369 HydrophobicContact CD1-CD1 3.97Å; Y201-L369 HydrophobicContact CD1-CD2 4.25Å; Y201-L369 HydrophobicContact CG-CD1 3.85Å; Y201-L369 HydrophobicContact CG-CD2 4.28Å; Y201-L373 HydrophobicContact CD1-CD1 4.44Å; Y201-L509 HydrophobicContact CD1-CD2 3.49Å; Y201-L509 VanDerWaalsContact CD1-CD2 3.49Å; Y201-L509 HydrophobicContact CE1-CD1 4.03Å; Y201-L509 HydrophobicContact CE1-CD2 3.79Å
202	G	91.7	Very high	94.6	Very high	19 Å²	19	30.4 Å²	30.4	20%	0.196	14%	0.137	C	C	.	.			trans	66.5	17.8	-174.8	0	0	0	0	0	114.6	L197 F204 R516	L197-G202 PolarHBondContact O-N 3.48Å; G202-F204 WeakPolarHBondContact O-CD2 3.49Å; G202-R516 VanDerWaalsContact CA-NH1 3.35Å
203	H	94.6	Very high	94	Very high	20 Å²	20	27.5 Å²	27.5	9%	0.093	14%	0.137	C	C	.	.			trans	-90.1	135.5	179.5	-176.4	68.5	0	0	0	110.9	L197 M198 Y201 G368 L369 T372	L197-H203 CarbonylContact C-O 3.48Å; L197-H203 HydrophobicContact CB-CB 4.44Å; L197-H203 HydrophobicContact CD2-CB 4.4Å; L197-H203 PolarHBondContact O-N 2.96Å; M198-H203 PolarHBondContact N-O 2.9Å; Y201-H203 PolarHBondContact O-N 3.47Å; H203-G368 PolarHBondContact CE1-O 3.22Å; H203-L369 HydrophobicContact CB-CD1 4.01Å; H203-T372 PolarHBondContact ND1-OG1 2.98Å
204	F	96.5	Very high	93.6	Very high	33 Å²	33	29.7 Å²	29.7	15%	0.145	15%	0.147	C	C	.	.			trans	-131.7	75.1	-165.8	-76.9	-71.7	0	0	0	110.7	M198 G202 F206 F207 A209 T323	M198-F204 HydrophobicContact CB-CD1 4.4Å; M198-F204 HydrophobicContact CB-CE1 4.08Å; M198-F204 HydrophobicContact CE-CD1 4.1Å; M198-F204 HydrophobicContact CE-CE1 3.76Å; M198-F204 HydrophobicContact CG-CD1 3.8Å; M198-F204 HydrophobicContact CG-CE1 3.92Å; G202-F204 WeakPolarHBondContact O-CD2 3.49Å; F204-F206 VanDerWaalsContact C-N 3.33Å; F204-F206 PolarHBondContact O-N 2.85Å; F204-F207 WeakPolarHBondContact CB-O 3.21Å; F204-F207 WeakPolarHBondContact CD1-O 3.37Å; F204-A209 HydrophobicContact CE1-CB 3.91Å; F204-A209 HydrophobicContact CZ-CB 4.42Å; F204-A209 WeakPolarHBondContact CZ-O 3.32Å; F204-T323 HydrophobicContact CE1-CG2 4.38Å; F204-T323 HydrophobicContact CZ-CG2 4.1Å
205	P	96.4	Very high	92.9	Very high	13 Å²	13	32.5 Å²	32.5	8%	0.084	17%	0.165	C	C	.	.	S	Bend	trans	-69.3	-23.8	-166.6	23.4	-32	0	0	0	115	L194 M365	L194-P205 HydrophobicContact CD1-CG 3.83Å; P205-M365 HydrophobicContact CB-CG 4.35Å; P205-M365 HydrophobicContact CG-CG 4.01Å
206	F	97.8	Very high	92.3	Very high	1 Å²	1	32.5 Å²	32.5	0%	0.004	18%	0.184	C	C	.	.	S	Bend	trans	-121.3	-23.5	-172.5	-51	-64.5	0	0	0	114.7	F190 L194 F204 P228 L282 Y342 M346 V350 L361 H364 M365	F190-F206 HydrophobicContact CE2-CD2 4.47Å; F190-F206 AromaticContact CE2-CE2 3.5Å; F190-F206 HydrophobicContact CE2-CE2 3.5Å; F190-F206 AromaticContact CE2-CZ 3.87Å; F190-F206 HydrophobicContact CE2-CZ 3.87Å; F190-F206 HydrophobicContact CZ-CD2 4.09Å; F190-F206 AromaticContact CZ-CE2 3.54Å; F190-F206 HydrophobicContact CZ-CE2 3.54Å; F190-F206 HydrophobicContact CZ-CZ 4.22Å; L194-F206 HydrophobicContact CD1-CD2 4Å; L194-F206 HydrophobicContact CD1-CE2 4.23Å; L194-F206 HydrophobicContact CD2-CD2 4.38Å; F204-F206 VanDerWaalsContact C-N 3.33Å; F204-F206 PolarHBondContact O-N 2.85Å; F206-P228 WeakPolarHBondContact O-CD 3.09Å; F206-L282 HydrophobicContact CD1-CD1 4.19Å; F206-Y342 PolarHBondContact O-OH 3.32Å; F206-M346 HydrophobicContact CB-CG 4.05Å; F206-M346 HydrophobicContact CB-SD 3.8Å; F206-V350 HydrophobicContact CD1-CG2 4.14Å; F206-V350 HydrophobicContact CE1-CG2 4.28Å; F206-V350 HydrophobicContact CG-CG2 4.35Å; F206-L361 HydrophobicContact CE1-CD1 3.85Å; F206-L361 HydrophobicContact CZ-CD1 3.63Å; F206-L361 HydrophobicContact CZ-CG 4.42Å; F206-H364 AromaticContact CE1-CD2 3.64Å; F206-H364 AromaticContact CE1-NE2 3.84Å; F206-M365 HydrophobicContact CE2-CG 3.82Å; F206-M365 HydrophobicContact CE2-SD 3.83Å; F206-M365 HydrophobicContact CZ-CG 3.67Å; F206-M365 HydrophobicContact CZ-SD 4.16Å
207	F	97.7	Very high	91.6	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.009	19%	0.187	C	C	.	.			trans	-165.4	147.9	-179.4	59.1	-89.5	0	0	0	108.7	L194 M198 F204 I225 D226 I314 W316 L343 M346	L194-F207 HydrophobicContact CD2-CE1 4.36Å; M198-F207 HydrophobicContact CE-CE2 3.52Å; M198-F207 HydrophobicContact CE-CZ 3.73Å; M198-F207 HydrophobicContact SD-CE2 4.29Å; M198-F207 HydrophobicContact SD-CZ 3.93Å; F204-F207 WeakPolarHBondContact CB-O 3.21Å; F204-F207 WeakPolarHBondContact CD1-O 3.37Å; F207-I225 HydrophobicContact CB-CG2 4.33Å; F207-I225 HydrophobicContact CD2-CG2 4.03Å; F207-I225 HydrophobicContact CG-CG2 4.45Å; F207-D226 CarbonylContact C-O 2.99Å; F207-D226 WeakPolarHBondContact CA-O 3.48Å; F207-D226 WeakPolarHBondContact CB-O 3.44Å; F207-I314 HydrophobicContact CE1-CD1 4.12Å; F207-I314 HydrophobicContact CE1-CG1 3.95Å; F207-I314 HydrophobicContact CE1-CG2 3.96Å; F207-I314 HydrophobicContact CZ-CG2 3.91Å; F207-W316 AromaticContact CD1-CH2 3.95Å; F207-W316 HydrophobicContact CD1-CH2 3.95Å; F207-W316 HydrophobicContact CD1-CZ3 4.28Å; F207-W316 HydrophobicContact CD2-CH2 4.11Å; F207-W316 AromaticContact CD2-CZ3 3.75Å; F207-W316 HydrophobicContact CD2-CZ3 3.75Å; F207-W316 AromaticContact CE1-CH2 3.96Å; F207-W316 HydrophobicContact CE1-CH2 3.96Å; F207-W316 HydrophobicContact CE1-CZ3 4.03Å; F207-W316 HydrophobicContact CE2-CE3 4.23Å; F207-W316 HydrophobicContact CE2-CH2 4.1Å; F207-W316 AromaticContact CE2-CZ3 3.45Å; F207-W316 HydrophobicContact CE2-CZ3 3.45Å; F207-W316 VanDerWaalsContact CE2-CZ3 3.45Å; F207-W316 HydrophobicContact CG-CH2 4.05Å; F207-W316 HydrophobicContact CG-CZ3 4.17Å; F207-W316 HydrophobicContact CZ-CE3 4.22Å; F207-W316 HydrophobicContact CZ-CH2 4.04Å; F207-W316 AromaticContact CZ-CZ3 3.61Å; F207-W316 HydrophobicContact CZ-CZ3 3.61Å; F207-L343 HydrophobicContact CB-CD2 3.95Å; F207-M346 HydrophobicContact CD1-CE 3.79Å; F207-M346 HydrophobicContact CE1-CE 4.48Å
208	R	96.5	Very high	90.5	Very high	77 Å²	77	35.2 Å²	35.2	29%	0.291	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	142.2	171	-67.2	166.7	88.3	-133.3	8.2	109.5	Y210 I225 D226 Q227 E229	R208-Y210 HydrophobicContact CB-CD1 4.36Å; R208-I225 WeakPolarHBondContact O-CA 3.38Å; R208-D226 PolarHBondContact N-O 2.92Å; R208-D226 PolarHBondContact O-N 2.88Å; R208-D226 VanDerWaalsContact O-N 3.08Å; R208-Q227 WeakPolarHBondContact CD-O 3.33Å; R208-Q227 VanDerWaalsContact CG-O 3.28Å; R208-Q227 WeakPolarHBondContact CG-O 3.48Å; R208-E229 IonicContact CZ-OE1 2.93Å; R208-E229 IonicContact NE-OE1 3.65Å; R208-E229 PolarHBondContact NE-OE1 2.93Å; R208-E229 IonicContact NH2-OE1 3.56Å; R208-E229 PolarHBondContact NH2-OE1 3.35Å
209	A	97	Very high	89.5	Confident	5 Å²	5	39.6 Å²	39.6	4%	0.041	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	122.8	164.7	0	0	0	0	0	108.8	M198 F204 Q224 I225 L320 F324	M198-A209 HydrophobicContact CE-CB 4.42Å; F204-A209 HydrophobicContact CE1-CB 3.91Å; F204-A209 HydrophobicContact CZ-CB 4.42Å; F204-A209 WeakPolarHBondContact CZ-O 3.32Å; A209-Q224 WeakPolarHBondContact CA-O 3.38Å; A209-I225 HydrophobicContact CB-CD1 3.68Å; A209-L320 HydrophobicContact CB-CD2 3.79Å; A209-F324 HydrophobicContact CB-CE2 4.12Å; A209-F324 HydrophobicContact CB-CZ 3.97Å
210	Y	94	Very high	89	Confident	70 Å²	70	42.1 Å²	42.1	28%	0.275	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	161.1	-179.6	61.8	-86	0	0	0	111.5	R208 Q224 D226 H338	R208-Y210 HydrophobicContact CB-CD1 4.36Å; Y210-Q224 HydrophobicContact CD1-CB 4.49Å; Y210-Q224 HydrophobicContact CD2-CB 4.26Å; Y210-Q224 HydrophobicContact CE1-CB 4.05Å; Y210-Q224 HydrophobicContact CE2-CB 3.78Å; Y210-Q224 HydrophobicContact CE2-CG 4.05Å; Y210-Q224 PolarHBondContact N-O 3.12Å; Y210-Q224 PolarHBondContact O-N 2.74Å; Y210-Q224 PolarHBondContact OH-OE1 3.02Å; Y210-D226 HydrophobicContact CE1-CB 4.13Å; Y210-H338 PolarHBondContact OH-NE2 3.4Å
211	L	90.9	Very high	88.7	Confident	19 Å²	19	41.1 Å²	41.1	10%	0.099	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	131.7	169.4	-73.8	167.1	0	0	0	109	I223 F324 M327 V520 F523	L211-I223 HydrophobicContact CD2-CG1 3.72Å; L211-F324 HydrophobicContact CD1-CD1 4.04Å; L211-F324 HydrophobicContact CD1-CE1 4.39Å; L211-F324 HydrophobicContact CG-CD1 3.92Å; L211-F324 HydrophobicContact CG-CE1 3.84Å; L211-M327 HydrophobicContact CD1-CE 4.21Å; L211-M327 HydrophobicContact CD2-CE 4.02Å; L211-V520 HydrophobicContact CD1-CB 4.41Å; L211-V520 HydrophobicContact CD1-CG1 4.47Å; L211-V520 HydrophobicContact CD1-CG2 4.11Å; L211-F523 HydrophobicContact CB-CD2 3.51Å; L211-F523 HydrophobicContact CB-CE2 3.45Å; L211-F523 VanDerWaalsContact CB-CE2 3.45Å; L211-F523 HydrophobicContact CB-CG 4.11Å; L211-F523 HydrophobicContact CB-CZ 3.97Å; L211-F523 HydrophobicContact CD1-CB 4.02Å; L211-F523 HydrophobicContact CD1-CD2 3.55Å; L211-F523 HydrophobicContact CD1-CE2 4.3Å; L211-F523 HydrophobicContact CD1-CG 4.04Å; L211-F523 HydrophobicContact CG-CD2 4.15Å
212	G	86.9	Confident	88.7	Confident	4 Å²	4	41 Å²	41	4%	0.041	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	172.9	178.4	0	0	0	0	0	112.2	P221 V222	G212-P221 WeakPolarHBondContact O-CA 3.47Å; G212-V222 PolarHBondContact N-O 3.02Å; G212-V222 PolarHBondContact O-N 3.02Å
213	P	82.8	Confident	88.9	Confident	79 Å²	79	40.1 Å²	40.1	51%	0.513	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	139.2	179.9	27.9	-35.5	0	0	0	111.4	P218 Q224	P213-P218 VanDerWaalsContact CB-O 3.25Å; P213-P218 WeakPolarHBondContact CB-O 3.39Å; P213-Q224 PolarHBondContact O-NE2 3.4Å
214	H	85.8	Confident	89	Confident	46 Å²	46	39.9 Å²	39.9	21%	0.213	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	132.5	175.1	-176.5	-93	0	0	0	110.2	A216 S217 T220 V222 M301	H214-A216 PolarHBondContact ND1-N 2.84Å; H214-A216 PolarHBondContact O-N 3.12Å; H214-A216 VanDerWaalsContact O-N 3.07Å; H214-S217 WeakPolarHBondContact CB-O 3.4Å; H214-S217 PolarHBondContact N-O 3.29Å; H214-S217 CarbonylContact O-C 3.6Å; H214-S217 PolarHBondContact O-N 3.43Å; H214-S217 VanDerWaalsContact O-O 3.1Å; H214-T220 HydrophobicContact CB-CG2 4.5Å; H214-T220 WeakPolarHBondContact CB-O 3.36Å; H214-T220 PolarHBondContact N-O 3.48Å; H214-V222 HydrophobicContact CB-CB 4.37Å; H214-V222 HydrophobicContact CB-CG1 4Å; H214-M301 WeakPolarHBondContact NE2-CE 3.19Å
215	P	82.5	Confident	89	Confident	60 Å²	60	38.3 Å²	38.3	39%	0.39	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-31.1	-173.1	-29.8	36.4	0	0	0	115.3	F299 V336	P215-F299 HydrophobicContact CB-CD1 4.27Å; P215-F299 HydrophobicContact CB-CE1 3.54Å; P215-F299 HydrophobicContact CB-CE2 3.9Å; P215-F299 HydrophobicContact CB-CZ 3.34Å; P215-F299 HydrophobicContact CG-CD1 4.1Å; P215-F299 HydrophobicContact CG-CD2 4.03Å; P215-F299 HydrophobicContact CG-CE1 3.86Å; P215-F299 HydrophobicContact CG-CE2 3.77Å; P215-F299 HydrophobicContact CG-CG 4.21Å; P215-F299 HydrophobicContact CG-CZ 3.69Å; P215-V336 HydrophobicContact CG-CG1 4.38Å; P215-V336 HydrophobicContact CG-CG2 4.13Å
216	A	82.2	Confident	89	Confident	90 Å²	90	39 Å²	39	74%	0.744	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-5.2	176.1	0	0	0	0	0	114.4	H214	H214-A216 PolarHBondContact ND1-N 2.84Å; H214-A216 PolarHBondContact O-N 3.12Å; H214-A216 VanDerWaalsContact O-N 3.07Å
217	S	81.8	Confident	88.8	Confident	42 Å²	42	41.3 Å²	41.3	29%	0.294	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	91.1	-179.2	179.1	0	0	0	0	109.7	H214 H219 T220	H214-S217 WeakPolarHBondContact CB-O 3.4Å; H214-S217 PolarHBondContact N-O 3.29Å; H214-S217 CarbonylContact O-C 3.6Å; H214-S217 PolarHBondContact O-N 3.43Å; H214-S217 VanDerWaalsContact O-O 3.1Å; S217-H219 PolarHBondContact O-N 2.82Å; S217-T220 WeakPolarHBondContact CB-OG1 3.31Å; S217-T220 PolarHBondContact O-N 3.43Å; S217-T220 PolarHBondContact OG-OG1 2.65Å
218	P	71.7	Confident	88.6	Confident	60 Å²	60	41.5 Å²	41.5	39%	0.39	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	-21	-172.4	-27.7	35.9	0	0	0	115.3	P213	P213-P218 VanDerWaalsContact CB-O 3.25Å; P213-P218 WeakPolarHBondContact CB-O 3.39Å
219	H	74.9	Confident	88.4	Confident	93 Å²	93	44.3 Å²	44.3	43%	0.431	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-7.4	178.7	-52.6	-44.8	0	0	0	114	S217 S546 D547	S217-H219 PolarHBondContact O-N 2.82Å; H219-S546 PolarHBondContact CE1-O 3.32Å; H219-S546 VanDerWaalsContact CE1-O 3.24Å; H219-D547 IonicContact CE1-OD1 2.68Å; H219-D547 PolarHBondContact CE1-OD1 3.49Å; H219-D547 IonicContact ND1-OD1 3.06Å; H219-D547 PolarHBondContact ND1-OD1 3.37Å
220	T	82.4	Confident	88.1	Confident	71 Å²	71	46.3 Å²	46.3	44%	0.436	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	116.9	174.8	-54.2	0	0	0	0	108.6	H214 S217	H214-T220 HydrophobicContact CB-CG2 4.5Å; H214-T220 WeakPolarHBondContact CB-O 3.36Å; H214-T220 PolarHBondContact N-O 3.48Å; S217-T220 WeakPolarHBondContact CB-OG1 3.31Å; S217-T220 PolarHBondContact O-N 3.43Å; S217-T220 PolarHBondContact OG-OG1 2.65Å
221	P	86	Confident	87.8	Confident	46 Å²	46	45.4 Å²	45.4	30%	0.299	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	144.1	174.3	28.5	-32.7	0	0	0	111.2	G212 F523	G212-P221 WeakPolarHBondContact O-CA 3.47Å; P221-F523 HydrophobicContact CB-CB 4.08Å; P221-F523 HydrophobicContact CB-CD1 3.57Å; P221-F523 HydrophobicContact CB-CE1 4.27Å; P221-F523 HydrophobicContact CB-CG 4.11Å; P221-F523 HydrophobicContact CG-CB 4.25Å; P221-F523 HydrophobicContact CG-CD1 4.3Å
222	V	91.9	Very high	87.8	Confident	10 Å²	10	44.8 Å²	44.8	6%	0.061	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	147.2	173.3	66.2	0	0	0	0	109.6	G212 H214 Q224 M301 V336	G212-V222 PolarHBondContact N-O 3.02Å; G212-V222 PolarHBondContact O-N 3.02Å; H214-V222 HydrophobicContact CB-CB 4.37Å; H214-V222 HydrophobicContact CB-CG1 4Å; V222-Q224 HydrophobicContact CG1-CG 4.19Å; V222-Q224 PolarHBondContact O-N 3.33Å; V222-M301 HydrophobicContact CG2-CE 4.48Å; V222-V336 HydrophobicContact CB-CG2 4.38Å; V222-V336 HydrophobicContact CG1-CG2 3.44Å; V222-V336 VanDerWaalsContact CG1-CG2 3.44Å; V222-V336 HydrophobicContact CG2-CG2 4.01Å
223	I	96.1	Very high	87.8	Confident	2 Å²	2	47.2 Å²	47.2	1%	0.01	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	126.7	171.5	-64.3	167.6	0	0	0	108.1	L211 I225 L320 F324 M327 L329 L335 V336	L211-I223 HydrophobicContact CD2-CG1 3.72Å; I223-I225 HydrophobicContact CG2-CD1 3.97Å; I223-L320 HydrophobicContact CG2-CD2 4.31Å; I223-F324 HydrophobicContact CB-CE2 4.32Å; I223-F324 HydrophobicContact CD1-CD2 3.55Å; I223-F324 HydrophobicContact CD1-CE2 3.82Å; I223-F324 HydrophobicContact CD1-CG 4.2Å; I223-F324 HydrophobicContact CG1-CD2 3.94Å; I223-F324 HydrophobicContact CG1-CE2 3.82Å; I223-F324 HydrophobicContact CG1-CG 4.41Å; I223-F324 HydrophobicContact CG1-CZ 4.18Å; I223-F324 HydrophobicContact CG2-CD2 4.41Å; I223-F324 HydrophobicContact CG2-CE2 3.55Å; I223-F324 HydrophobicContact CG2-CZ 3.89Å; I223-M327 HydrophobicContact CD1-SD 4.42Å; I223-L329 HydrophobicContact CD1-CD1 3.93Å; I223-L329 HydrophobicContact CD1-CD2 3.82Å; I223-L335 HydrophobicContact CB-CD2 3.72Å; I223-L335 HydrophobicContact CD1-CD2 4.25Å; I223-L335 HydrophobicContact CG2-CD2 3.8Å; I223-L335 WeakPolarHBondContact O-CA 3.49Å; I223-V336 PolarHBondContact O-N 3.32Å
224	Q	96.5	Very high	87.9	Confident	15 Å²	15	44.5 Å²	44.5	7%	0.07	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	133.3	177	-48.4	-162	3.4	0	0	109.8	A209 Y210 P213 V222 V336 H338	A209-Q224 WeakPolarHBondContact CA-O 3.38Å; Y210-Q224 HydrophobicContact CD1-CB 4.49Å; Y210-Q224 HydrophobicContact CD2-CB 4.26Å; Y210-Q224 HydrophobicContact CE1-CB 4.05Å; Y210-Q224 HydrophobicContact CE2-CB 3.78Å; Y210-Q224 HydrophobicContact CE2-CG 4.05Å; Y210-Q224 PolarHBondContact N-O 3.12Å; Y210-Q224 PolarHBondContact O-N 2.74Å; Y210-Q224 PolarHBondContact OH-OE1 3.02Å; P213-Q224 PolarHBondContact O-NE2 3.4Å; V222-Q224 HydrophobicContact CG1-CG 4.19Å; V222-Q224 PolarHBondContact O-N 3.33Å; Q224-V336 CarbonylContact C-O 3.6Å; Q224-V336 WeakPolarHBondContact CA-O 3.42Å; Q224-V336 HydrophobicContact CB-CB 4.31Å; Q224-V336 HydrophobicContact CG-CB 4.03Å; Q224-V336 HydrophobicContact CG-CG2 4.37Å; Q224-H338 PolarHBondContact OE1-NE2 3.02Å
225	I	98	Very high	87.7	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	126.9	174.8	-47.5	-60	0	0	0	108.6	F207 R208 A209 I223 L307 W316 L320 L335 V336 V337 H338 L343	F207-I225 HydrophobicContact CB-CG2 4.33Å; F207-I225 HydrophobicContact CD2-CG2 4.03Å; F207-I225 HydrophobicContact CG-CG2 4.45Å; R208-I225 WeakPolarHBondContact O-CA 3.38Å; A209-I225 HydrophobicContact CB-CD1 3.68Å; I223-I225 HydrophobicContact CG2-CD1 3.97Å; I225-L307 HydrophobicContact CG1-CD2 4.17Å; I225-W316 HydrophobicContact CD1-CZ3 4.49Å; I225-W316 HydrophobicContact CG2-CH2 4.25Å; I225-W316 HydrophobicContact CG2-CZ3 4.05Å; I225-L320 HydrophobicContact CD1-CD2 3.73Å; I225-L335 HydrophobicContact CG1-CD1 4.29Å; I225-V336 PolarHBondContact N-O 2.93Å; I225-V337 HydrophobicContact CB-CG2 4.25Å; I225-V337 HydrophobicContact CG1-CG2 4.45Å; I225-H338 PolarHBondContact O-CD2 3.2Å; I225-H338 PolarHBondContact O-N 2.94Å; I225-L343 HydrophobicContact CB-CD1 4.43Å; I225-L343 HydrophobicContact CG2-CD1 3.69Å; I225-L343 HydrophobicContact CG2-CD2 4.21Å
226	D	95.3	Very high	87.4	Confident	26 Å²	26	49.8 Å²	49.8	14%	0.139	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	173	-177.4	-157.6	4.7	0	0	0	111	F207 R208 Y210 H338	F207-D226 CarbonylContact C-O 2.99Å; F207-D226 WeakPolarHBondContact CA-O 3.48Å; F207-D226 WeakPolarHBondContact CB-O 3.44Å; R208-D226 PolarHBondContact N-O 2.92Å; R208-D226 PolarHBondContact O-N 2.88Å; R208-D226 VanDerWaalsContact O-N 3.08Å; Y210-D226 HydrophobicContact CE1-CB 4.13Å; D226-H338 HydrophobicContact CB-CB 4.2Å; D226-H338 VanDerWaalsContact OD1-CB 3.27Å; D226-H338 WeakPolarHBondContact OD1-CB 3.14Å; D226-H338 IonicContact OD1-CG 3.23Å
227	Q	93.5	Very high	87.2	Confident	50 Å²	50	52 Å²	52	23%	0.234	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-53.1	153.5	172	59.5	-179	76.2	0	0	113.1	R208 L286 Y342	R208-Q227 WeakPolarHBondContact CD-O 3.33Å; R208-Q227 VanDerWaalsContact CG-O 3.28Å; R208-Q227 WeakPolarHBondContact CG-O 3.48Å; Q227-L286 HydrophobicContact CB-CD2 3.46Å; Q227-L286 VanDerWaalsContact CB-CD2 3.46Å; Q227-L286 HydrophobicContact CG-CD2 4.24Å; Q227-Y342 HydrophobicContact CB-CE1 4.43Å
228	P	94.5	Very high	87.2	Confident	7 Å²	7	51.6 Å²	51.6	5%	0.045	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-65.3	158.2	176.5	27.8	-34.1	0	0	0	111.7	F206 F230 Y342	F206-P228 WeakPolarHBondContact O-CD 3.09Å; P228-F230 HydrophobicContact CG-CE2 4Å; P228-F230 HydrophobicContact CG-CZ 3.93Å; P228-F230 WeakPolarHBondContact O-CD2 3.45Å; P228-F230 WeakPolarHBondContact O-CE2 3.36Å; P228-Y342 WeakPolarHBondContact CD-OH 3.45Å; P228-Y342 WeakPolarHBondContact CG-OH 3.46Å
229	E	91.1	Very high	87.8	Confident	136 Å²	136	54.8 Å²	54.8	64%	0.636	28%	0.276	S	S	*	.	P	Polyproline II helix	trans	-76.5	133.2	162.4	-89.2	164.5	-134	0	0	109	R208	R208-E229 IonicContact CZ-OE1 2.93Å; R208-E229 IonicContact NE-OE1 3.65Å; R208-E229 PolarHBondContact NE-OE1 2.93Å; R208-E229 IonicContact NH2-OE1 3.56Å; R208-E229 PolarHBondContact NH2-OE1 3.35Å
230	F	92	Very high	88.3	Confident	46 Å²	46	58.5 Å²	58.5	20%	0.202	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-98.8	131.1	177.8	-66.5	-96.1	0	0	0	109.6	P228 V232 L234 T279 L282 F283 L286	P228-F230 HydrophobicContact CG-CE2 4Å; P228-F230 HydrophobicContact CG-CZ 3.93Å; P228-F230 WeakPolarHBondContact O-CD2 3.45Å; P228-F230 WeakPolarHBondContact O-CE2 3.36Å; F230-V232 PolarHBondContact O-N 3.16Å; F230-L234 HydrophobicContact CD1-CD1 4.13Å; F230-T279 HydrophobicContact CD1-CG2 3.7Å; F230-T279 HydrophobicContact CE1-CG2 4Å; F230-L282 HydrophobicContact CE1-CB 4.46Å; F230-L282 HydrophobicContact CZ-CB 4.48Å; F230-F283 HydrophobicContact CD1-CD2 4.4Å; F230-F283 HydrophobicContact CE1-CB 3.8Å; F230-F283 HydrophobicContact CE1-CD2 4.13Å; F230-F283 HydrophobicContact CE1-CG 4.48Å; F230-F283 HydrophobicContact CE2-CD2 4.28Å; F230-F283 HydrophobicContact CZ-CB 4.09Å; F230-F283 HydrophobicContact CZ-CD2 4.07Å; F230-L286 HydrophobicContact CE2-CD1 3.73Å; F230-L286 HydrophobicContact CE2-CD2 4.49Å; F230-L286 HydrophobicContact CZ-CD1 3.92Å
231	D	88	Confident	88.7	Confident	52 Å²	52	62 Å²	62	28%	0.278	30%	0.303	S	S	.	.	S	Bend	trans	-63.8	-9.3	179	-71.3	-66.9	0	0	0	115	Y250 V371	D231-Y250 HydrophobicContact CB-CE1 4.19Å; D231-Y250 HydrophobicContact CB-CE2 3.97Å; D231-Y250 VanDerWaalsContact CB-OH 3.27Å; D231-Y250 WeakPolarHBondContact CB-OH 3.32Å; D231-Y250 VanDerWaalsContact CG-OH 3.27Å; D231-Y250 PolarHBondContact OD2-OH 3.18Å; D231-V371 HydrophobicContact CB-CG1 4.34Å; D231-V371 WeakPolarHBondContact OD1-CG1 3.49Å
232	V	90.8	Very high	88.9	Confident	6 Å²	6	61.9 Å²	61.9	4%	0.036	30%	0.3	C	S	.	.	S	Bend	trans	-129.6	142.8	-176.2	-79.3	0	0	0	0	110.6	F230 L234 I246 Y250 L392	F230-V232 PolarHBondContact O-N 3.16Å; V232-L234 HydrophobicContact CB-CG 4.48Å; V232-L234 HydrophobicContact CG2-CD1 3.89Å; V232-L234 HydrophobicContact CG2-CD2 4.1Å; V232-L234 HydrophobicContact CG2-CG 3.81Å; V232-L234 PolarHBondContact O-N 3.1Å; V232-I246 HydrophobicContact CB-CG2 3.75Å; V232-I246 HydrophobicContact CG1-CG2 3.92Å; V232-I246 HydrophobicContact CG2-CG2 4.32Å; V232-Y250 HydrophobicContact CG1-CD1 3.83Å; V232-Y250 HydrophobicContact CG1-CD2 4Å; V232-Y250 HydrophobicContact CG1-CE1 4.48Å; V232-Y250 HydrophobicContact CG1-CG 3.59Å; V232-Y250 HydrophobicContact CG2-CD1 4.22Å; V232-L392 HydrophobicContact CG1-CD1 3.99Å; V232-L392 HydrophobicContact CG1-CD2 4.08Å
233	P	86.1	Confident	88.8	Confident	54 Å²	54	63.6 Å²	63.6	35%	0.351	31%	0.305	S	S	.	.			trans	-74.2	97.6	178	30.5	-33.1	0	0	0	109.9	Q238 I246 L392 T396	P233-Q238 PolarHBondContact O-OE1 2.87Å; P233-I246 HydrophobicContact CG-CD1 4.35Å; P233-I246 WeakPolarHBondContact O-CD1 3.3Å; P233-L392 HydrophobicContact CG-CB 4.41Å; P233-T396 HydrophobicContact CG-CG2 4Å
234	L	84.6	Confident	88.6	Confident	23 Å²	23	66.3 Å²	66.3	12%	0.12	33%	0.328	C	S	.	.			trans	-107.3	133	177.1	-59.4	173.5	0	0	0	109.8	F230 V232 Y243 I246 F247 F283	F230-L234 HydrophobicContact CD1-CD1 4.13Å; V232-L234 HydrophobicContact CB-CG 4.48Å; V232-L234 HydrophobicContact CG2-CD1 3.89Å; V232-L234 HydrophobicContact CG2-CD2 4.1Å; V232-L234 HydrophobicContact CG2-CG 3.81Å; V232-L234 PolarHBondContact O-N 3.1Å; L234-Y243 HydrophobicContact CD2-CD2 4.18Å; L234-Y243 HydrophobicContact CD2-CE2 4.16Å; L234-I246 HydrophobicContact CD2-CG2 3.97Å; L234-F247 HydrophobicContact CD1-CE2 3.86Å; L234-F247 HydrophobicContact CD1-CZ 3.52Å; L234-F247 HydrophobicContact CD2-CD2 4.17Å; L234-F247 HydrophobicContact CD2-CE2 3.47Å; L234-F247 VanDerWaalsContact CD2-CE2 3.47Å; L234-F247 HydrophobicContact CD2-CZ 3.94Å; L234-F247 HydrophobicContact CG-CE2 4.33Å; L234-F247 HydrophobicContact CG-CZ 4.38Å; L234-F283 HydrophobicContact CB-CD1 4.45Å; L234-F283 HydrophobicContact CB-CD2 3.77Å; L234-F283 HydrophobicContact CB-CE1 4.08Å; L234-F283 HydrophobicContact CB-CE2 3.35Å; L234-F283 HydrophobicContact CB-CG 4.31Å; L234-F283 HydrophobicContact CB-CZ 3.53Å; L234-F283 HydrophobicContact CD1-CB 4.3Å; L234-F283 HydrophobicContact CD1-CD1 4.46Å; L234-F283 HydrophobicContact CD1-CD2 3.83Å; L234-F283 HydrophobicContact CD1-CE2 4.31Å; L234-F283 HydrophobicContact CD1-CG 3.92Å; L234-F283 HydrophobicContact CG-CD2 4.47Å; L234-F283 HydrophobicContact CG-CE2 4.48Å
235	K	82.3	Confident	88.6	Confident	112 Å²	112	68.2 Å²	68.2	49%	0.487	34%	0.337	S	S	.	.			trans	-122.7	152.9	169.1	-46.1	-178.8	174.2	-174.7	0	110.4	D237 Q238	K235-D237 WeakPolarHBondContact CB-OD1 3.44Å; K235-Q238 HydrophobicContact CB-CB 4.16Å; K235-Q238 VanDerWaalsContact O-CB 3.29Å; K235-Q238 WeakPolarHBondContact O-CB 3.45Å
236	Q	75.8	Confident	88.4	Confident	104 Å²	104	68.2 Å²	68.2	49%	0.486	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-28.1	-179.3	-72.9	-164.5	-3.5	0	0	113.2	Q238 F283 L286	Q236-Q238 VanDerWaalsContact C-N 3.28Å; Q236-F283 HydrophobicContact CG-CE1 4.01Å; Q236-F283 HydrophobicContact CG-CZ 4Å; Q236-L286 PolarHBondContact NE2-O 3.45Å
237	D	77.6	Confident	88.4	Confident	137 Å²	137	67.8 Å²	67.8	73%	0.733	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-0.5	174.8	64.7	-38.2	0	0	0	113.3	K235	K235-D237 WeakPolarHBondContact CB-OD1 3.44Å
238	Q	81.8	Confident	88.5	Confident	33 Å²	33	72.1 Å²	72.1	15%	0.154	35%	0.348	C	S	.	.	S	Bend	trans	-68.2	138.3	-174.8	-161	171.8	-78	0	0	111.9	P233 K235 Q236 Q240 I242	P233-Q238 PolarHBondContact O-OE1 2.87Å; K235-Q238 HydrophobicContact CB-CB 4.16Å; K235-Q238 VanDerWaalsContact O-CB 3.29Å; K235-Q238 WeakPolarHBondContact O-CB 3.45Å; Q236-Q238 VanDerWaalsContact C-N 3.28Å; Q238-Q240 PolarHBondContact O-N 2.97Å; Q238-I242 HydrophobicContact CG-CB 4.22Å; Q238-I242 HydrophobicContact CG-CG2 4.12Å
239	E	84.3	Confident	88.6	Confident	127 Å²	127	73.7 Å²	73.7	59%	0.593	36%	0.355	S	S	*	.			trans	-53.3	131.4	174.7	-66.5	-167.6	172.8	0	0	111.5	K241 I242 Y243	E239-K241 PolarHBondContact O-N 3.13Å; E239-I242 HydrophobicContact CB-CB 4.39Å; E239-I242 HydrophobicContact CB-CD1 4.1Å; E239-I242 HydrophobicContact CB-CG1 4.1Å; E239-I242 HydrophobicContact CG-CD1 4.35Å; E239-I242 PolarHBondContact O-N 3.3Å; E239-Y243 PolarHBondContact O-N 2.92Å
240	Q	85.6	Confident	88.9	Confident	172 Å²	172	67.6 Å²	67.6	80%	0.804	33%	0.326	S	S	*	.	H	α-helix	trans	-56.6	-30.1	-177.6	-166.9	175.6	13.2	0	0	112.7	Q238 A244	Q238-Q240 PolarHBondContact O-N 2.97Å; Q240-A244 WeakPolarHBondContact O-CB 3.46Å; Q240-A244 PolarHBondContact O-N 3.01Å
241	K	90.5	Very high	89.1	Confident	144 Å²	144	67 Å²	67	63%	0.626	33%	0.325	S	S	*	.	H	α-helix	trans	-66.4	-45.6	173.9	-174.9	-177.4	176.6	-171.5	0	112.3	E239 A244 Q245	E239-K241 PolarHBondContact O-N 3.13Å; K241-A244 PolarHBondContact O-N 3.32Å; K241-Q245 VanDerWaalsContact O-CG 3.29Å; K241-Q245 WeakPolarHBondContact O-CG 3.36Å; K241-Q245 PolarHBondContact O-N 3.5Å
242	I	90.9	Very high	89.6	Confident	44 Å²	44	68.2 Å²	68.2	23%	0.226	33%	0.334	C	S	.	.	H	α-helix	trans	-67.9	-43.1	177.7	-60.7	175.6	0	0	0	109.7	Q238 E239 A244 Q245 I246 L395	Q238-I242 HydrophobicContact CG-CB 4.22Å; Q238-I242 HydrophobicContact CG-CG2 4.12Å; E239-I242 HydrophobicContact CB-CB 4.39Å; E239-I242 HydrophobicContact CB-CD1 4.1Å; E239-I242 HydrophobicContact CB-CG1 4.1Å; E239-I242 HydrophobicContact CG-CD1 4.35Å; E239-I242 PolarHBondContact O-N 3.3Å; I242-A244 PolarHBondContact O-N 3.48Å; I242-Q245 PolarHBondContact O-N 2.94Å; I242-I246 HydrophobicContact CG2-CD1 4.23Å; I242-I246 HydrophobicContact CG2-CG1 4.45Å; I242-I246 WeakPolarHBondContact O-CG1 3.43Å; I242-I246 PolarHBondContact O-N 3.37Å; I242-L395 WeakPolarHBondContact CG2-O 3.41Å
243	Y	90.3	Very high	89.9	Confident	45 Å²	45	68.2 Å²	68.2	18%	0.176	33%	0.333	C	S	.	.	H	α-helix	trans	-53.3	-51.5	172.6	-175.6	-84.5	0	0	0	112.1	L234 E239 Q245 I246 F247 S280 F283	L234-Y243 HydrophobicContact CD2-CD2 4.18Å; L234-Y243 HydrophobicContact CD2-CE2 4.16Å; E239-Y243 PolarHBondContact O-N 2.92Å; Y243-Q245 VanDerWaalsContact C-N 3.33Å; Y243-Q245 PolarHBondContact O-N 3.3Å; Y243-I246 PolarHBondContact O-N 3.15Å; Y243-F247 AromaticContact CD1-CD2 3.85Å; Y243-F247 HydrophobicContact CD1-CD2 3.85Å; Y243-F247 HydrophobicContact CD1-CE2 4.15Å; Y243-F247 HydrophobicContact CD2-CE2 4.25Å; Y243-F247 AromaticContact CE1-CD2 3.58Å; Y243-F247 HydrophobicContact CE1-CD2 3.58Å; Y243-F247 AromaticContact CE1-CE2 3.56Å; Y243-F247 HydrophobicContact CE1-CE2 3.56Å; Y243-F247 HydrophobicContact CE2-CD2 4.34Å; Y243-F247 AromaticContact CE2-CE2 3.69Å; Y243-F247 HydrophobicContact CE2-CE2 3.69Å; Y243-F247 HydrophobicContact CG-CD2 4.34Å; Y243-F247 HydrophobicContact CG-CE2 4.47Å; Y243-F247 AromaticContact CZ-CD2 3.85Å; Y243-F247 AromaticContact CZ-CE2 3.3Å; Y243-F247 WeakPolarHBondContact O-CD2 3.47Å; Y243-F247 PolarHBondContact O-N 3.49Å; Y243-F247 VanDerWaalsContact O-N 3.14Å; Y243-F247 WeakPolarHBondContact OH-CE2 3.16Å; Y243-S280 PolarHBondContact OH-OG 3.45Å; Y243-F283 HydrophobicContact CE2-CD1 4.09Å; Y243-F283 HydrophobicContact CE2-CE1 4.19Å
244	A	92.1	Very high	90.4	Very high	59 Å²	59	65.6 Å²	65.6	49%	0.488	32%	0.317	S	S	.	.	H	α-helix	trans	-63.2	-36.9	177.8	0	0	0	0	0	112.9	Q240 K241 I242 R248	Q240-A244 WeakPolarHBondContact O-CB 3.46Å; Q240-A244 PolarHBondContact O-N 3.01Å; K241-A244 PolarHBondContact O-N 3.32Å; I242-A244 PolarHBondContact O-N 3.48Å; A244-R248 PolarHBondContact O-N 3.36Å; A244-R248 VanDerWaalsContact O-N 3.11Å
245	Q	95.1	Very high	91	Very high	55 Å²	55	65.9 Å²	65.9	26%	0.257	32%	0.318	S	S	.	.	H	α-helix	trans	-65.7	-47.7	175.4	-74.7	174.1	-15.4	0	0	111.7	K241 I242 Y243 F247 R248 E249 L395	K241-Q245 VanDerWaalsContact O-CG 3.29Å; K241-Q245 WeakPolarHBondContact O-CG 3.36Å; K241-Q245 PolarHBondContact O-N 3.5Å; I242-Q245 PolarHBondContact O-N 2.94Å; Y243-Q245 VanDerWaalsContact C-N 3.33Å; Y243-Q245 PolarHBondContact O-N 3.3Å; Q245-F247 VanDerWaalsContact C-N 3.31Å; Q245-F247 PolarHBondContact O-N 2.83Å; Q245-R248 PolarHBondContact O-N 3.36Å; Q245-R248 VanDerWaalsContact O-N 3.1Å; Q245-E249 WeakPolarHBondContact O-CG 3.47Å; Q245-E249 PolarHBondContact O-N 3.15Å; Q245-L395 HydrophobicContact CB-CD1 3.99Å; Q245-L395 HydrophobicContact CB-CD2 3.86Å; Q245-L395 VanDerWaalsContact OE1-CD2 3.29Å
246	I	95	Very high	91.7	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-54.4	-47.5	176.6	-75	-177.2	0	0	0	111.2	V232 P233 L234 I242 Y243 R248 E249 Y250 L392 L395 T396	V232-I246 HydrophobicContact CB-CG2 3.75Å; V232-I246 HydrophobicContact CG1-CG2 3.92Å; V232-I246 HydrophobicContact CG2-CG2 4.32Å; P233-I246 HydrophobicContact CG-CD1 4.35Å; P233-I246 WeakPolarHBondContact O-CD1 3.3Å; L234-I246 HydrophobicContact CD2-CG2 3.97Å; I242-I246 HydrophobicContact CG2-CD1 4.23Å; I242-I246 HydrophobicContact CG2-CG1 4.45Å; I242-I246 WeakPolarHBondContact O-CG1 3.43Å; I242-I246 PolarHBondContact O-N 3.37Å; Y243-I246 PolarHBondContact O-N 3.15Å; I246-R248 VanDerWaalsContact C-N 3.34Å; I246-R248 PolarHBondContact O-N 3.42Å; I246-E249 PolarHBondContact O-N 3.05Å; I246-Y250 WeakPolarHBondContact O-CB 3.41Å; I246-Y250 PolarHBondContact O-N 3.45Å; I246-L392 HydrophobicContact CB-CD2 4.25Å; I246-L392 HydrophobicContact CG1-CD2 4.01Å; I246-L392 HydrophobicContact CG2-CD2 3.8Å; I246-L395 HydrophobicContact CG1-CB 4.31Å; I246-L395 HydrophobicContact CG1-CD1 3.87Å; I246-T396 HydrophobicContact CD1-CG2 4.11Å
247	F	94.1	Very high	92.7	Very high	18 Å²	18	58.5 Å²	58.5	8%	0.079	29%	0.286	C	S	.	.	H	α-helix	trans	-67	-31.8	179.5	-86.5	-67.6	0	0	0	113.8	L234 Y243 Q245 Y250 L251 I276 T279	L234-F247 HydrophobicContact CD1-CE2 3.86Å; L234-F247 HydrophobicContact CD1-CZ 3.52Å; L234-F247 HydrophobicContact CD2-CD2 4.17Å; L234-F247 HydrophobicContact CD2-CE2 3.47Å; L234-F247 VanDerWaalsContact CD2-CE2 3.47Å; L234-F247 HydrophobicContact CD2-CZ 3.94Å; L234-F247 HydrophobicContact CG-CE2 4.33Å; L234-F247 HydrophobicContact CG-CZ 4.38Å; Y243-F247 AromaticContact CD1-CD2 3.85Å; Y243-F247 HydrophobicContact CD1-CD2 3.85Å; Y243-F247 HydrophobicContact CD1-CE2 4.15Å; Y243-F247 HydrophobicContact CD2-CE2 4.25Å; Y243-F247 AromaticContact CE1-CD2 3.58Å; Y243-F247 HydrophobicContact CE1-CD2 3.58Å; Y243-F247 AromaticContact CE1-CE2 3.56Å; Y243-F247 HydrophobicContact CE1-CE2 3.56Å; Y243-F247 HydrophobicContact CE2-CD2 4.34Å; Y243-F247 AromaticContact CE2-CE2 3.69Å; Y243-F247 HydrophobicContact CE2-CE2 3.69Å; Y243-F247 HydrophobicContact CG-CD2 4.34Å; Y243-F247 HydrophobicContact CG-CE2 4.47Å; Y243-F247 AromaticContact CZ-CD2 3.85Å; Y243-F247 AromaticContact CZ-CE2 3.3Å; Y243-F247 WeakPolarHBondContact O-CD2 3.47Å; Y243-F247 PolarHBondContact O-N 3.49Å; Y243-F247 VanDerWaalsContact O-N 3.14Å; Y243-F247 WeakPolarHBondContact OH-CE2 3.16Å; Q245-F247 VanDerWaalsContact C-N 3.31Å; Q245-F247 PolarHBondContact O-N 2.83Å; F247-Y250 PolarHBondContact O-N 3.32Å; F247-L251 VanDerWaalsContact O-CB 3.28Å; F247-L251 WeakPolarHBondContact O-CB 3.47Å; F247-L251 PolarHBondContact O-N 3.3Å; F247-I276 HydrophobicContact CB-CG2 4.33Å; F247-I276 HydrophobicContact CD1-CB 4.42Å; F247-I276 HydrophobicContact CD1-CD1 4.02Å; F247-I276 HydrophobicContact CD1-CG1 4.48Å; F247-I276 HydrophobicContact CD1-CG2 3.39Å; F247-I276 HydrophobicContact CE1-CD1 4.35Å; F247-I276 HydrophobicContact CE1-CG2 3.91Å; F247-I276 HydrophobicContact CG-CG2 4.11Å; F247-T279 HydrophobicContact CE1-CG2 4.23Å; F247-T279 HydrophobicContact CZ-CG2 4.43Å
248	R	96	Very high	93.6	Very high	140 Å²	140	52 Å²	52	53%	0.528	25%	0.251	S	S	.	.	H	α-helix	trans	-69.6	-42.9	174.6	-171.6	-171.1	66.9	-165.1	-1.5	112.4	A244 Q245 I246 Y250 L251 T252	A244-R248 PolarHBondContact O-N 3.36Å; A244-R248 VanDerWaalsContact O-N 3.11Å; Q245-R248 PolarHBondContact O-N 3.36Å; Q245-R248 VanDerWaalsContact O-N 3.1Å; I246-R248 VanDerWaalsContact C-N 3.34Å; I246-R248 PolarHBondContact O-N 3.42Å; R248-Y250 VanDerWaalsContact C-N 3.31Å; R248-L251 PolarHBondContact O-N 3.36Å; R248-T252 PolarHBondContact O-N 3.43Å; R248-T252 PolarHBondContact O-OG1 3.41Å
249	E	97	Very high	94.2	Very high	41 Å²	41	53.8 Å²	53.8	19%	0.192	26%	0.264	C	S	.	.	H	α-helix	trans	-66.1	-37.1	174.8	-55.1	-50.4	126.5	0	0	110.6	Q245 I246 T252 Y253 L388 K391 L395	Q245-E249 WeakPolarHBondContact O-CG 3.47Å; Q245-E249 PolarHBondContact O-N 3.15Å; I246-E249 PolarHBondContact O-N 3.05Å; E249-T252 WeakPolarHBondContact O-CB 3.45Å; E249-T252 PolarHBondContact O-N 3.33Å; E249-Y253 PolarHBondContact O-N 3.44Å; E249-L388 HydrophobicContact CB-CD1 4.31Å; E249-K391 HydrophobicContact CB-CB 4.49Å; E249-K391 HydrophobicContact CG-CB 4.29Å; E249-L395 HydrophobicContact CG-CD1 3.93Å
250	Y	96.9	Very high	94.8	Very high	7 Å²	7	49.5 Å²	49.5	3%	0.027	25%	0.245	C	C	.	.	H	α-helix	trans	-68.7	-40.8	176	-168.5	-142.1	0	0	0	113	D231 V232 I246 F247 R248 T252 Y253 L254 I276 V371 L388	D231-Y250 HydrophobicContact CB-CE1 4.19Å; D231-Y250 HydrophobicContact CB-CE2 3.97Å; D231-Y250 VanDerWaalsContact CB-OH 3.27Å; D231-Y250 WeakPolarHBondContact CB-OH 3.32Å; D231-Y250 VanDerWaalsContact CG-OH 3.27Å; D231-Y250 PolarHBondContact OD2-OH 3.18Å; V232-Y250 HydrophobicContact CG1-CD1 3.83Å; V232-Y250 HydrophobicContact CG1-CD2 4Å; V232-Y250 HydrophobicContact CG1-CE1 4.48Å; V232-Y250 HydrophobicContact CG1-CG 3.59Å; V232-Y250 HydrophobicContact CG2-CD1 4.22Å; I246-Y250 WeakPolarHBondContact O-CB 3.41Å; I246-Y250 PolarHBondContact O-N 3.45Å; F247-Y250 PolarHBondContact O-N 3.32Å; R248-Y250 VanDerWaalsContact C-N 3.31Å; Y250-T252 VanDerWaalsContact C-N 3.3Å; Y250-T252 PolarHBondContact O-N 2.94Å; Y250-Y253 AromaticContact CD2-CD1 3.81Å; Y250-Y253 HydrophobicContact CD2-CD1 3.81Å; Y250-Y253 AromaticContact CE2-CD1 3.69Å; Y250-Y253 HydrophobicContact CE2-CD1 3.69Å; Y250-Y253 HydrophobicContact CE2-CE1 4.07Å; Y250-Y253 WeakPolarHBondContact O-CB 3.48Å; Y250-Y253 PolarHBondContact O-N 2.95Å; Y250-Y253 VanDerWaalsContact O-N 3.16Å; Y250-L254 HydrophobicContact CD2-CG 4.42Å; Y250-L254 HydrophobicContact CE1-CD1 4.24Å; Y250-L254 HydrophobicContact CE2-CD2 4Å; Y250-L254 HydrophobicContact CE2-CG 4.13Å; Y250-L254 WeakPolarHBondContact O-CG 3.41Å; Y250-L254 PolarHBondContact O-N 3.12Å; Y250-I276 HydrophobicContact CD1-CD1 3.34Å; Y250-I276 HydrophobicContact CE1-CD1 3.81Å; Y250-I276 HydrophobicContact CG-CD1 4.15Å; Y250-V371 HydrophobicContact CE2-CG2 4.45Å; Y250-L388 HydrophobicContact CD2-CD1 4.42Å; Y250-L388 HydrophobicContact CD2-CD2 3.77Å; Y250-L388 HydrophobicContact CE2-CD2 4.22Å
251	L	96.9	Very high	95.3	Very high	35 Å²	35	41.3 Å²	41.3	18%	0.183	21%	0.207	C	C	.	.	H	α-helix	trans	-58.9	-41.7	171.7	-178.4	56.7	0	0	0	111.8	F247 R248 Y253 L254 N255 I276	F247-L251 VanDerWaalsContact O-CB 3.28Å; F247-L251 WeakPolarHBondContact O-CB 3.47Å; F247-L251 PolarHBondContact O-N 3.3Å; R248-L251 PolarHBondContact O-N 3.36Å; L251-Y253 VanDerWaalsContact C-N 3.31Å; L251-Y253 PolarHBondContact O-N 3.36Å; L251-L254 PolarHBondContact O-N 3.17Å; L251-N255 WeakPolarHBondContact O-CB 3.06Å; L251-N255 PolarHBondContact O-N 2.67Å; L251-I276 HydrophobicContact CB-CG1 4.28Å; L251-I276 HydrophobicContact CD1-CG1 4.18Å
252	T	97.4	Very high	95.5	Very high	77 Å²	77	36.8 Å²	36.8	47%	0.472	20%	0.201	S	C	.	.	H	α-helix	trans	-61.1	-40.6	176	-56.3	0	0	0	0	111.4	R248 E249 Y250 N255 Q256	R248-T252 PolarHBondContact O-N 3.43Å; R248-T252 PolarHBondContact O-OG1 3.41Å; E249-T252 WeakPolarHBondContact O-CB 3.45Å; E249-T252 PolarHBondContact O-N 3.33Å; Y250-T252 VanDerWaalsContact C-N 3.3Å; Y250-T252 PolarHBondContact O-N 2.94Å; T252-N255 PolarHBondContact O-N 2.95Å; T252-Q256 PolarHBondContact O-N 3.14Å
253	Y	97.6	Very high	95.7	Very high	5 Å²	5	35 Å²	35	2%	0.02	19%	0.194	C	C	.	.	H	α-helix	trans	-67.2	-46.6	175.5	169.8	-108.9	0	0	0	113.1	E249 Y250 L251 N255 Q256 L257 V371 S374 A384 R385 L388	E249-Y253 PolarHBondContact O-N 3.44Å; Y250-Y253 AromaticContact CD2-CD1 3.81Å; Y250-Y253 HydrophobicContact CD2-CD1 3.81Å; Y250-Y253 AromaticContact CE2-CD1 3.69Å; Y250-Y253 HydrophobicContact CE2-CD1 3.69Å; Y250-Y253 HydrophobicContact CE2-CE1 4.07Å; Y250-Y253 WeakPolarHBondContact O-CB 3.48Å; Y250-Y253 PolarHBondContact O-N 2.95Å; Y250-Y253 VanDerWaalsContact O-N 3.16Å; L251-Y253 VanDerWaalsContact C-N 3.31Å; L251-Y253 PolarHBondContact O-N 3.36Å; Y253-N255 VanDerWaalsContact C-N 3.26Å; Y253-N255 PolarHBondContact O-N 2.94Å; Y253-Q256 PolarHBondContact O-N 3.31Å; Y253-Q256 VanDerWaalsContact O-N 3.13Å; Y253-L257 HydrophobicContact CD1-CD1 4.01Å; Y253-L257 HydrophobicContact CD2-CG 4.41Å; Y253-L257 HydrophobicContact CE1-CD1 3.5Å; Y253-L257 VanDerWaalsContact CE1-CD1 3.5Å; Y253-L257 HydrophobicContact CE1-CG 4.38Å; Y253-L257 HydrophobicContact CE2-CD1 3.99Å; Y253-L257 HydrophobicContact CE2-CD2 4.13Å; Y253-L257 HydrophobicContact CE2-CG 4.02Å; Y253-L257 VanDerWaalsContact CZ-CD1 3.48Å; Y253-L257 WeakPolarHBondContact O-CG 3.41Å; Y253-L257 PolarHBondContact O-N 2.94Å; Y253-V371 HydrophobicContact CD1-CG2 4.5Å; Y253-V371 HydrophobicContact CE1-CB 4.36Å; Y253-V371 HydrophobicContact CE1-CG1 3.9Å; Y253-V371 HydrophobicContact CE1-CG2 3.69Å; Y253-S374 PolarHBondContact OH-OG 3.03Å; Y253-S374 VanDerWaalsContact OH-OG 3.04Å; Y253-A384 HydrophobicContact CD2-CB 3.92Å; Y253-A384 WeakPolarHBondContact CD2-O 3.33Å; Y253-A384 VanDerWaalsContact CE2-C 3.46Å; Y253-A384 HydrophobicContact CE2-CB 3.78Å; Y253-R385 HydrophobicContact CE2-CB 4.15Å; Y253-R385 WeakPolarHBondContact OH-CD 3.48Å; Y253-L388 HydrophobicContact CD1-CD2 3.53Å; Y253-L388 HydrophobicContact CD2-CB 4.14Å; Y253-L388 HydrophobicContact CD2-CD2 4.35Å; Y253-L388 HydrophobicContact CE1-CD2 3.89Å; Y253-L388 HydrophobicContact CG-CB 4.12Å; Y253-L388 HydrophobicContact CG-CD2 3.74Å; Y253-L388 HydrophobicContact CG-CG 4.39Å
254	L	97.2	Very high	95.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-59.3	-39.7	175	-66.3	179.3	0	0	0	111.4	Y250 L251 L257 G258 I276 L367 V371	Y250-L254 HydrophobicContact CD2-CG 4.42Å; Y250-L254 HydrophobicContact CE1-CD1 4.24Å; Y250-L254 HydrophobicContact CE2-CD2 4Å; Y250-L254 HydrophobicContact CE2-CG 4.13Å; Y250-L254 WeakPolarHBondContact O-CG 3.41Å; Y250-L254 PolarHBondContact O-N 3.12Å; L251-L254 PolarHBondContact O-N 3.17Å; L254-L257 HydrophobicContact CD2-CD1 4.45Å; L254-L257 PolarHBondContact O-N 2.92Å; L254-G258 PolarHBondContact O-N 2.89Å; L254-I276 HydrophobicContact CD1-CD1 3.63Å; L254-I276 HydrophobicContact CD1-CG1 4.17Å; L254-L367 HydrophobicContact CD1-CD1 4.49Å; L254-L367 HydrophobicContact CD2-CB 4.42Å; L254-L367 HydrophobicContact CD2-CD2 4.33Å; L254-V371 HydrophobicContact CD2-CG2 3.66Å
255	N	97	Very high	95.9	Very high	28 Å²	28	37.7 Å²	37.7	15%	0.15	21%	0.207	C	C	.	.	H	α-helix	trans	-62	-43.3	174.3	-74	-12	0	0	0	112.6	L251 T252 Y253 G258 T259 V268 Q269 S272	L251-N255 WeakPolarHBondContact O-CB 3.06Å; L251-N255 PolarHBondContact O-N 2.67Å; T252-N255 PolarHBondContact O-N 2.95Å; Y253-N255 VanDerWaalsContact C-N 3.26Å; Y253-N255 PolarHBondContact O-N 2.94Å; N255-G258 PolarHBondContact O-N 3.35Å; N255-T259 WeakPolarHBondContact O-CB 3.43Å; N255-T259 PolarHBondContact O-N 3Å; N255-T259 PolarHBondContact O-OG1 2.82Å; N255-V268 VanDerWaalsContact CA-CG1 3.48Å; N255-V268 HydrophobicContact CB-CG1 4.11Å; N255-V268 WeakPolarHBondContact O-CG1 3.15Å; N255-Q269 PolarHBondContact ND2-OE1 3.28Å; N255-Q269 WeakPolarHBondContact OD1-CA 3.18Å; N255-S272 WeakPolarHBondContact OD1-CB 3.3Å; N255-S272 PolarHBondContact OD1-OG 3.12Å
256	Q	97	Very high	95.9	Very high	62 Å²	62	39 Å²	39	29%	0.29	22%	0.223	S	C	.	.	H	α-helix	trans	-61.7	-44.5	176.1	-168.7	-179.6	-12.3	0	0	111.1	T252 Y253 T259 L260 A384	T252-Q256 PolarHBondContact O-N 3.14Å; Y253-Q256 PolarHBondContact O-N 3.31Å; Y253-Q256 VanDerWaalsContact O-N 3.13Å; Q256-T259 PolarHBondContact O-N 3.36Å; Q256-L260 HydrophobicContact CG-CD1 4.35Å; Q256-L260 WeakPolarHBondContact O-CG 3.23Å; Q256-L260 PolarHBondContact O-N 2.88Å; Q256-A384 HydrophobicContact CG-CB 4.29Å
257	L	96.6	Very high	95.9	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-61.5	-46.6	176.8	-68.3	174.4	0	0	0	112.9	Y253 L254 T259 L260 L261 V370 V371 F381	Y253-L257 HydrophobicContact CD1-CD1 4.01Å; Y253-L257 HydrophobicContact CD2-CG 4.41Å; Y253-L257 HydrophobicContact CE1-CD1 3.5Å; Y253-L257 VanDerWaalsContact CE1-CD1 3.5Å; Y253-L257 HydrophobicContact CE1-CG 4.38Å; Y253-L257 HydrophobicContact CE2-CD1 3.99Å; Y253-L257 HydrophobicContact CE2-CD2 4.13Å; Y253-L257 HydrophobicContact CE2-CG 4.02Å; Y253-L257 VanDerWaalsContact CZ-CD1 3.48Å; Y253-L257 WeakPolarHBondContact O-CG 3.41Å; Y253-L257 PolarHBondContact O-N 2.94Å; L254-L257 HydrophobicContact CD2-CD1 4.45Å; L254-L257 PolarHBondContact O-N 2.92Å; L257-T259 VanDerWaalsContact C-N 3.29Å; L257-T259 PolarHBondContact O-N 2.76Å; L257-L260 PolarHBondContact O-N 2.68Å; L257-L261 WeakPolarHBondContact O-CG 3.42Å; L257-L261 PolarHBondContact O-N 3.42Å; L257-L261 VanDerWaalsContact O-N 3.08Å; L257-V370 HydrophobicContact CB-CG1 4.16Å; L257-V370 HydrophobicContact CD1-CG1 4.08Å; L257-V370 HydrophobicContact CD2-CG1 4.24Å; L257-V370 HydrophobicContact CG-CG1 4.41Å; L257-V371 HydrophobicContact CD1-CG2 3.73Å; L257-F381 HydrophobicContact CD2-CD1 3.46Å; L257-F381 VanDerWaalsContact CD2-CD1 3.46Å; L257-F381 HydrophobicContact CD2-CE1 3.83Å
258	G	96	Very high	96	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-61.9	-38.1	177.4	0	0	0	0	0	112.5	L254 N255 L261 G263	L254-G258 PolarHBondContact O-N 2.89Å; N255-G258 PolarHBondContact O-N 3.35Å; G258-L261 PolarHBondContact O-N 3.19Å; G258-G263 WeakPolarHBondContact O-CA 3.29Å; G258-G263 PolarHBondContact O-N 2.92Å
259	T	95.3	Very high	96	Very high	70 Å²	70	40 Å²	40	43%	0.429	23%	0.232	S	C	.	.	H	α-helix	trans	-68.1	-45.8	176	-52.5	0	0	0	0	111.5	N255 Q256 L257 L261 G262	N255-T259 WeakPolarHBondContact O-CB 3.43Å; N255-T259 PolarHBondContact O-N 3Å; N255-T259 PolarHBondContact O-OG1 2.82Å; Q256-T259 PolarHBondContact O-N 3.36Å; L257-T259 VanDerWaalsContact C-N 3.29Å; L257-T259 PolarHBondContact O-N 2.76Å; T259-L261 PolarHBondContact O-N 3.01Å; T259-G262 WeakPolarHBondContact O-CA 3.44Å; T259-G262 PolarHBondContact O-N 2.98Å
260	L	96.1	Very high	96	Very high	37 Å²	37	43.3 Å²	43.3	19%	0.194	25%	0.248	C	C	.	.	H	α-helix	trans	-58.4	-34.2	175.6	-74.3	172.5	0	0	0	112.1	T166 Q256 L257 G262 Q380 F381	T166-L260 WeakPolarHBondContact CG2-O 3.24Å; Q256-L260 HydrophobicContact CG-CD1 4.35Å; Q256-L260 WeakPolarHBondContact O-CG 3.23Å; Q256-L260 PolarHBondContact O-N 2.88Å; L257-L260 PolarHBondContact O-N 2.68Å; L260-G262 PolarHBondContact O-N 2.92Å; L260-Q380 HydrophobicContact CD1-CB 4.03Å; L260-Q380 HydrophobicContact CD2-CB 3.77Å; L260-Q380 HydrophobicContact CD2-CG 4.41Å; L260-F381 HydrophobicContact CB-CE1 4.19Å; L260-F381 HydrophobicContact CB-CE2 3.99Å; L260-F381 HydrophobicContact CB-CZ 3.63Å; L260-F381 HydrophobicContact CD1-CD1 4.32Å; L260-F381 HydrophobicContact CD1-CD2 4.19Å; L260-F381 HydrophobicContact CD1-CE1 4.31Å; L260-F381 HydrophobicContact CD1-CE2 4.17Å; L260-F381 HydrophobicContact CD1-CG 4.26Å; L260-F381 HydrophobicContact CD1-CZ 4.22Å
261	L	96	Very high	96	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-2	175	-72.2	168.9	0	0	0	114.2	T166 L169 R170 I173 W179 S182 L257 G258 T259 V370 F381	T166-L261 HydrophobicContact CG2-CD2 4.28Å; L169-L261 HydrophobicContact CD2-CD1 4.18Å; L169-L261 HydrophobicContact CD2-CD2 3.77Å; L169-L261 HydrophobicContact CD2-CG 4.47Å; L169-L261 HydrophobicContact CG-CD2 4.19Å; R170-L261 HydrophobicContact CG-CD2 4.4Å; R170-L261 PolarHBondContact NE-O 3.03Å; R170-L261 PolarHBondContact NH2-O 3.45Å; I173-L261 HydrophobicContact CD1-CD1 3.93Å; I173-L261 HydrophobicContact CD1-CD2 4.25Å; W179-L261 HydrophobicContact CH2-CD1 3.73Å; W179-L261 HydrophobicContact CZ2-CB 4.32Å; W179-L261 HydrophobicContact CZ2-CD1 3.55Å; S182-L261 VanDerWaalsContact CB-O 3.3Å; S182-L261 WeakPolarHBondContact CB-O 3.27Å; S182-L261 PolarHBondContact OG-O 3.47Å; L257-L261 WeakPolarHBondContact O-CG 3.42Å; L257-L261 PolarHBondContact O-N 3.42Å; L257-L261 VanDerWaalsContact O-N 3.08Å; G258-L261 PolarHBondContact O-N 3.19Å; T259-L261 PolarHBondContact O-N 3.01Å; L261-V370 HydrophobicContact CD1-CG1 3.91Å; L261-V370 HydrophobicContact CD1-CG2 3.83Å; L261-F381 HydrophobicContact CD2-CZ 4.15Å; L261-F381 HydrophobicContact CG-CE1 4.36Å; L261-F381 HydrophobicContact CG-CZ 4.17Å
262	G	94.4	Very high	95.9	Very high	50 Å²	50	41.6 Å²	41.6	52%	0.515	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.5	24	-179.9	0	0	0	0	0	114.1	T259 L260	T259-G262 WeakPolarHBondContact O-CA 3.44Å; T259-G262 PolarHBondContact O-N 2.98Å; L260-G262 PolarHBondContact O-N 2.92Å
263	G	95	Very high	95.9	Very high	7 Å²	7	40.3 Å²	40.3	7%	0.072	23%	0.233	C	C	.	.			trans	-77.5	148.1	175.7	0	0	0	0	0	112.9	I181 G258	I181-G263 WeakPolarHBondContact O-CA 3.36Å; G258-G263 WeakPolarHBondContact O-CA 3.29Å; G258-G263 PolarHBondContact O-N 2.92Å
264	D	93.9	Very high	95.8	Very high	74 Å²	74	41.5 Å²	41.5	40%	0.396	24%	0.239	S	C	.	.			trans	-64.4	129.1	172	171.5	-92.9	0	0	0	110.4	S266 K267 V268	D264-S266 VanDerWaalsContact C-N 3.25Å; D264-S266 PolarHBondContact O-N 3.11Å; D264-S266 VanDerWaalsContact O-N 3.12Å; D264-S266 WeakPolarHBondContact OD1-CA 3.39Å; D264-S266 WeakPolarHBondContact OD1-CB 3.39Å; D264-S266 PolarHBondContact OD1-N 3.29Å; D264-S266 PolarHBondContact OD1-OG 2.75Å; D264-K267 HydrophobicContact CB-CB 4.33Å; D264-K267 HydrophobicContact CB-CD 4.25Å; D264-K267 HydrophobicContact CB-CG 4.3Å; D264-K267 PolarHBondContact O-N 3.33Å; D264-K267 VanDerWaalsContact O-N 3.14Å; D264-K267 PolarHBondContact OD1-N 3.36Å; D264-K267 VanDerWaalsContact OD1-N 3.14Å; D264-V268 WeakPolarHBondContact O-CB 3.24Å; D264-V268 WeakPolarHBondContact O-CG2 3.41Å; D264-V268 PolarHBondContact O-N 3.35Å
265	P	94.1	Very high	95.8	Very high	85 Å²	85	41.8 Å²	41.8	55%	0.552	24%	0.241	S	C	*	.	H	α-helix	trans	-55.4	-33.6	-174.8	-29.4	36.2	0	0	0	115.1	Q269	P265-Q269 VanDerWaalsContact O-CB 3.27Å; P265-Q269 WeakPolarHBondContact O-CB 3.32Å; P265-Q269 PolarHBondContact O-N 2.85Å
266	S	94.6	Very high	95.7	Very high	83 Å²	83	41.4 Å²	41.4	58%	0.58	24%	0.239	S	C	*	.	H	α-helix	trans	-72.2	-44.2	179.6	74.9	0	0	0	0	111.7	D264 Q269 E270	D264-S266 VanDerWaalsContact C-N 3.25Å; D264-S266 PolarHBondContact O-N 3.11Å; D264-S266 VanDerWaalsContact O-N 3.12Å; D264-S266 WeakPolarHBondContact OD1-CA 3.39Å; D264-S266 WeakPolarHBondContact OD1-CB 3.39Å; D264-S266 PolarHBondContact OD1-N 3.29Å; D264-S266 PolarHBondContact OD1-OG 2.75Å; S266-Q269 PolarHBondContact O-N 2.73Å; S266-E270 PolarHBondContact O-N 3.5Å
267	K	94.4	Very high	95.6	Very high	104 Å²	104	41.1 Å²	41.1	45%	0.452	24%	0.244	S	C	.	.	H	α-helix	trans	-67.4	-41.5	175	-65.4	-178.4	-178	173.1	0	112.2	D264 Q269 E270 H271	D264-K267 HydrophobicContact CB-CB 4.33Å; D264-K267 HydrophobicContact CB-CD 4.25Å; D264-K267 HydrophobicContact CB-CG 4.3Å; D264-K267 PolarHBondContact O-N 3.33Å; D264-K267 VanDerWaalsContact O-N 3.14Å; D264-K267 PolarHBondContact OD1-N 3.36Å; D264-K267 VanDerWaalsContact OD1-N 3.14Å; K267-Q269 VanDerWaalsContact C-N 3.29Å; K267-Q269 PolarHBondContact O-N 3.35Å; K267-E270 PolarHBondContact O-N 3.19Å; K267-H271 WeakPolarHBondContact O-CB 3.31Å; K267-H271 PolarHBondContact O-CD2 3.13Å; K267-H271 VanDerWaalsContact O-CD2 3.25Å; K267-H271 PolarHBondContact O-N 2.87Å
268	V	96.4	Very high	95.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-54.4	-48.9	173.6	166.9	0	0	0	0	109.7	I181 N255 D264 S272	I181-V268 HydrophobicContact CG2-CG2 3.53Å; N255-V268 VanDerWaalsContact CA-CG1 3.48Å; N255-V268 HydrophobicContact CB-CG1 4.11Å; N255-V268 WeakPolarHBondContact O-CG1 3.15Å; D264-V268 WeakPolarHBondContact O-CB 3.24Å; D264-V268 WeakPolarHBondContact O-CG2 3.41Å; D264-V268 PolarHBondContact O-N 3.35Å; V268-S272 WeakPolarHBondContact O-CB 2.91Å; V268-S272 PolarHBondContact O-N 3.13Å; V268-S272 PolarHBondContact O-OG 2.75Å
269	Q	96.6	Very high	95.6	Very high	75 Å²	75	42 Å²	42	35%	0.35	25%	0.25	S	C	.	.	H	α-helix	trans	-63.3	-45.2	178.3	179.2	61	83.7	0	0	112.5	N255 P265 S266 K267 S273	N255-Q269 PolarHBondContact ND2-OE1 3.28Å; N255-Q269 WeakPolarHBondContact OD1-CA 3.18Å; P265-Q269 VanDerWaalsContact O-CB 3.27Å; P265-Q269 WeakPolarHBondContact O-CB 3.32Å; P265-Q269 PolarHBondContact O-N 2.85Å; S266-Q269 PolarHBondContact O-N 2.73Å; K267-Q269 VanDerWaalsContact C-N 3.29Å; K267-Q269 PolarHBondContact O-N 3.35Å; Q269-S273 PolarHBondContact NE2-OG 3.5Å; Q269-S273 WeakPolarHBondContact O-CB 3.41Å; Q269-S273 PolarHBondContact O-N 3.29Å; Q269-S273 PolarHBondContact O-OG 2.97Å
270	E	96.4	Very high	95.5	Very high	111 Å²	111	39.8 Å²	39.8	52%	0.519	24%	0.237	S	C	.	.	H	α-helix	trans	-62.3	-53.5	179.5	-168	-171.5	-171.6	0	0	111.7	S266 K267 S272 S273 L274 F360	S266-E270 PolarHBondContact O-N 3.5Å; K267-E270 PolarHBondContact O-N 3.19Å; E270-S272 PolarHBondContact O-N 2.82Å; E270-S273 PolarHBondContact O-N 3.4Å; E270-L274 PolarHBondContact O-N 2.97Å; E270-L274 VanDerWaalsContact O-N 3.12Å; E270-F360 HydrophobicContact CG-CE1 3.91Å; E270-F360 HydrophobicContact CG-CZ 4.1Å
271	H	96.4	Very high	95.5	Very high	6 Å²	6	42 Å²	42	3%	0.028	24%	0.242	C	C	.	.	H	α-helix	trans	-66.1	-36.1	-179.7	-76.9	-77.6	0	0	0	112.7	R180 I181 K267 S275 F360 S363	R180-H271 WeakPolarHBondContact CB-NE2 3.36Å; I181-H271 HydrophobicContact CD1-CB 3.64Å; I181-H271 HydrophobicContact CG1-CB 3.72Å; K267-H271 WeakPolarHBondContact O-CB 3.31Å; K267-H271 PolarHBondContact O-CD2 3.13Å; K267-H271 VanDerWaalsContact O-CD2 3.25Å; K267-H271 PolarHBondContact O-N 2.87Å; H271-S275 WeakPolarHBondContact O-CB 3.16Å; H271-S275 PolarHBondContact O-N 3.25Å; H271-F360 HydrophobicContact CB-CD1 4.33Å; H271-F360 HydrophobicContact CB-CE1 4.45Å; H271-F360 AromaticContact CE1-CD1 3.63Å; H271-F360 AromaticContact CE1-CE1 3.6Å; H271-F360 AromaticContact CG-CD1 3.82Å; H271-F360 AromaticContact CG-CE1 3.79Å; H271-F360 AromaticContact ND1-CD1 3.09Å; H271-F360 WeakPolarHBondContact ND1-CD1 3.42Å; H271-F360 AromaticContact ND1-CE1 3.35Å; H271-F360 WeakPolarHBondContact ND1-CE1 3.46Å; H271-F360 AromaticContact ND1-CG 3.85Å; H271-S363 PolarHBondContact ND1-OG 3.16Å
272	S	96.6	Very high	95.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-68.4	-42.6	176.2	-58	0	0	0	0	111.5	N255 V268 E270 L274 S275 I276	N255-S272 WeakPolarHBondContact OD1-CB 3.3Å; N255-S272 PolarHBondContact OD1-OG 3.12Å; V268-S272 WeakPolarHBondContact O-CB 2.91Å; V268-S272 PolarHBondContact O-N 3.13Å; V268-S272 PolarHBondContact O-OG 2.75Å; E270-S272 PolarHBondContact O-N 2.82Å; S272-L274 VanDerWaalsContact C-N 3.34Å; S272-L274 PolarHBondContact O-N 2.55Å; S272-S275 WeakPolarHBondContact O-CB 3.34Å; S272-S275 PolarHBondContact O-N 3.13Å; S272-I276 WeakPolarHBondContact O-CG1 3.37Å; S272-I276 PolarHBondContact O-N 3.29Å
273	S	96.7	Very high	95.5	Very high	50 Å²	50	40.5 Å²	40.5	35%	0.35	22%	0.222	S	C	.	.	H	α-helix	trans	-59.5	-41.5	175.6	-71.3	0	0	0	0	112.5	Q269 E270 I276 S277	Q269-S273 PolarHBondContact NE2-OG 3.5Å; Q269-S273 WeakPolarHBondContact O-CB 3.41Å; Q269-S273 PolarHBondContact O-N 3.29Å; Q269-S273 PolarHBondContact O-OG 2.97Å; E270-S273 PolarHBondContact O-N 3.4Å; S273-I276 WeakPolarHBondContact O-CB 3.32Å; S273-I276 PolarHBondContact O-N 3.09Å; S273-S277 PolarHBondContact O-N 2.87Å
274	L	95.7	Very high	95.3	Very high	29 Å²	29	46.4 Å²	46.4	15%	0.152	25%	0.248	C	C	.	.	H	α-helix	trans	-74.9	-31.4	177.8	-172.3	41.7	0	0	0	112.1	E270 S272 I276 S277 I278 M353 Q357 F360	E270-L274 PolarHBondContact O-N 2.97Å; E270-L274 VanDerWaalsContact O-N 3.12Å; S272-L274 VanDerWaalsContact C-N 3.34Å; S272-L274 PolarHBondContact O-N 2.55Å; L274-I276 VanDerWaalsContact C-N 3.34Å; L274-I276 PolarHBondContact O-N 3.39Å; L274-S277 WeakPolarHBondContact O-CB 3.4Å; L274-S277 PolarHBondContact O-N 3.11Å; L274-I278 WeakPolarHBondContact O-CG1 3.47Å; L274-I278 PolarHBondContact O-N 2.91Å; L274-M353 HydrophobicContact CD1-CE 4.35Å; L274-M353 HydrophobicContact CD2-CE 4.45Å; L274-M353 HydrophobicContact CG-CE 4.35Å; L274-Q357 HydrophobicContact CD2-CG 4.42Å; L274-Q357 VanDerWaalsContact CD2-OE1 3.31Å; L274-F360 HydrophobicContact CB-CD1 3.84Å; L274-F360 HydrophobicContact CB-CE1 4.4Å; L274-F360 HydrophobicContact CB-CG 4.36Å; L274-F360 HydrophobicContact CD2-CB 3.58Å; L274-F360 HydrophobicContact CD2-CD1 3.46Å; L274-F360 VanDerWaalsContact CD2-CD1 3.46Å; L274-F360 HydrophobicContact CD2-CD2 3.64Å; L274-F360 HydrophobicContact CD2-CE1 3.99Å; L274-F360 HydrophobicContact CD2-CE2 4.13Å; L274-F360 HydrophobicContact CD2-CG 3.26Å; L274-F360 HydrophobicContact CD2-CZ 4.29Å; L274-F360 HydrophobicContact CG-CB 3.9Å; L274-F360 HydrophobicContact CG-CD1 3.99Å; L274-F360 HydrophobicContact CG-CG 4Å
275	S	95.8	Very high	95.4	Very high	6 Å²	6	45.1 Å²	45.1	4%	0.042	24%	0.239	C	C	.	.	H	α-helix	trans	-58.5	-44.5	167.7	-171.6	0	0	0	0	111.9	H271 S272 S277 I278 T279 H364	H271-S275 WeakPolarHBondContact O-CB 3.16Å; H271-S275 PolarHBondContact O-N 3.25Å; S272-S275 WeakPolarHBondContact O-CB 3.34Å; S272-S275 PolarHBondContact O-N 3.13Å; S275-S277 VanDerWaalsContact C-N 3.34Å; S275-S277 PolarHBondContact O-N 2.86Å; S275-I278 PolarHBondContact O-N 2.73Å; S275-T279 PolarHBondContact O-N 3.4Å; S275-T279 PolarHBondContact O-OG1 3.47Å; S275-H364 PolarHBondContact O-ND1 2.89Å; S275-H364 PolarHBondContact OG-ND1 3.04Å
276	I	95.5	Very high	95.3	Very high	21 Å²	21	41.8 Å²	41.8	11%	0.108	22%	0.216	C	C	.	.	H	α-helix	trans	-60	-41.7	173.5	-68.5	-46	0	0	0	112	F247 Y250 L251 L254 S272 S273 L274 T279 S280	F247-I276 HydrophobicContact CB-CG2 4.33Å; F247-I276 HydrophobicContact CD1-CB 4.42Å; F247-I276 HydrophobicContact CD1-CD1 4.02Å; F247-I276 HydrophobicContact CD1-CG1 4.48Å; F247-I276 HydrophobicContact CD1-CG2 3.39Å; F247-I276 HydrophobicContact CE1-CD1 4.35Å; F247-I276 HydrophobicContact CE1-CG2 3.91Å; F247-I276 HydrophobicContact CG-CG2 4.11Å; Y250-I276 HydrophobicContact CD1-CD1 3.34Å; Y250-I276 HydrophobicContact CE1-CD1 3.81Å; Y250-I276 HydrophobicContact CG-CD1 4.15Å; L251-I276 HydrophobicContact CB-CG1 4.28Å; L251-I276 HydrophobicContact CD1-CG1 4.18Å; L254-I276 HydrophobicContact CD1-CD1 3.63Å; L254-I276 HydrophobicContact CD1-CG1 4.17Å; S272-I276 WeakPolarHBondContact O-CG1 3.37Å; S272-I276 PolarHBondContact O-N 3.29Å; S273-I276 WeakPolarHBondContact O-CB 3.32Å; S273-I276 PolarHBondContact O-N 3.09Å; L274-I276 VanDerWaalsContact C-N 3.34Å; L274-I276 PolarHBondContact O-N 3.39Å; I276-T279 PolarHBondContact O-N 3.07Å; I276-S280 WeakPolarHBondContact O-CB 3.47Å; I276-S280 PolarHBondContact O-N 2.92Å
277	S	95.5	Very high	95	Very high	56 Å²	56	40.8 Å²	40.8	39%	0.392	20%	0.2	S	C	.	.	H	α-helix	trans	-61.9	-42.6	177.3	-175.5	0	0	0	0	112.5	S273 L274 S275 S280 R281	S273-S277 PolarHBondContact O-N 2.87Å; L274-S277 WeakPolarHBondContact O-CB 3.4Å; L274-S277 PolarHBondContact O-N 3.11Å; S275-S277 VanDerWaalsContact C-N 3.34Å; S275-S277 PolarHBondContact O-N 2.86Å; S277-S280 PolarHBondContact O-N 3.04Å; S277-R281 PolarHBondContact O-N 3.47Å
278	I	96.2	Very high	94.5	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.015	19%	0.189	C	C	.	.	H	α-helix	trans	-59.7	-52.1	173.6	-63.5	159	0	0	0	109.9	L274 S275 S280 R281 L282 L349 M353 H364	L274-I278 WeakPolarHBondContact O-CG1 3.47Å; L274-I278 PolarHBondContact O-N 2.91Å; S275-I278 PolarHBondContact O-N 2.73Å; I278-S280 VanDerWaalsContact C-N 3.29Å; I278-S280 PolarHBondContact O-N 3.19Å; I278-R281 PolarHBondContact O-N 3.08Å; I278-L282 HydrophobicContact CG2-CD1 4.01Å; I278-L282 HydrophobicContact CG2-CG 4.36Å; I278-L282 WeakPolarHBondContact O-CG 3.25Å; I278-L282 PolarHBondContact O-N 3.34Å; I278-L349 HydrophobicContact CG2-CD2 4.4Å; I278-M353 HydrophobicContact CD1-CE 3.9Å; I278-M353 HydrophobicContact CG1-CE 4.17Å; I278-H364 HydrophobicContact CD1-CB 3.65Å
279	T	95.3	Very high	93.7	Very high	16 Å²	16	41.4 Å²	41.4	10%	0.098	21%	0.21	C	C	.	.	H	α-helix	trans	-56.5	-40.6	178	-57.7	0	0	0	0	112.5	F230 F247 S275 I276 F283 H364	F230-T279 HydrophobicContact CD1-CG2 3.7Å; F230-T279 HydrophobicContact CE1-CG2 4Å; F247-T279 HydrophobicContact CE1-CG2 4.23Å; F247-T279 HydrophobicContact CZ-CG2 4.43Å; S275-T279 PolarHBondContact O-N 3.4Å; S275-T279 PolarHBondContact O-OG1 3.47Å; I276-T279 PolarHBondContact O-N 3.07Å; T279-F283 WeakPolarHBondContact O-CB 3.43Å; T279-F283 PolarHBondContact O-N 2.95Å; T279-H364 PolarHBondContact OG1-CE1 3.14Å
280	S	94	Very high	92.8	Very high	23 Å²	23	44.5 Å²	44.5	16%	0.161	22%	0.224	C	C	.	.	H	α-helix	trans	-66.1	-43.7	177.4	-174.5	0	0	0	0	112.1	Y243 I276 S277 I278 F283 Q284	Y243-S280 PolarHBondContact OH-OG 3.45Å; I276-S280 WeakPolarHBondContact O-CB 3.47Å; I276-S280 PolarHBondContact O-N 2.92Å; S277-S280 PolarHBondContact O-N 3.04Å; I278-S280 VanDerWaalsContact C-N 3.29Å; I278-S280 PolarHBondContact O-N 3.19Å; S280-F283 PolarHBondContact O-N 2.81Å; S280-Q284 WeakPolarHBondContact O-CG 3.31Å; S280-Q284 PolarHBondContact O-N 2.82Å
281	R	95.6	Very high	92.1	Very high	82 Å²	82	43.5 Å²	43.5	31%	0.309	22%	0.219	S	C	.	.	H	α-helix	trans	-63	-44.5	175.4	-72.5	179.1	73.4	-178.3	-1.5	111.6	S277 I278 F283 Q284 F285 L349 E352	S277-R281 PolarHBondContact O-N 3.47Å; I278-R281 PolarHBondContact O-N 3.08Å; R281-F283 VanDerWaalsContact C-N 3.33Å; R281-F283 PolarHBondContact O-N 3.39Å; R281-Q284 PolarHBondContact O-N 3.45Å; R281-F285 HydrophobicContact CB-CZ 4.32Å; R281-F285 WeakPolarHBondContact O-CD1 3.24Å; R281-F285 WeakPolarHBondContact O-CD2 3.34Å; R281-F285 VanDerWaalsContact O-CG 3.24Å; R281-F285 WeakPolarHBondContact O-CG 3.37Å; R281-F285 PolarHBondContact O-N 3.31Å; R281-L349 HydrophobicContact CB-CD2 3.93Å; R281-L349 VanDerWaalsContact CZ-CD1 3.49Å; R281-E352 IonicContact CZ-OE2 3.61Å; R281-E352 VanDerWaalsContact CZ-OE2 3.28Å; R281-E352 IonicContact NH1-OE2 3.59Å; R281-E352 PolarHBondContact NH1-OE2 3.48Å; R281-E352 IonicContact NH2-OE2 3.93Å; R281-E352 PolarHBondContact NH2-OE2 2.82Å
282	L	96.3	Very high	91.4	Very high	3 Å²	3	43.9 Å²	43.9	2%	0.016	22%	0.221	C	C	.	.	H	α-helix	trans	-59.4	-43.2	174.9	-65.8	174.5	0	0	0	111.6	F206 F230 I278 Q284 F285 Y342 M346 L349	F206-L282 HydrophobicContact CD1-CD1 4.19Å; F230-L282 HydrophobicContact CE1-CB 4.46Å; F230-L282 HydrophobicContact CZ-CB 4.48Å; I278-L282 HydrophobicContact CG2-CD1 4.01Å; I278-L282 HydrophobicContact CG2-CG 4.36Å; I278-L282 WeakPolarHBondContact O-CG 3.25Å; I278-L282 PolarHBondContact O-N 3.34Å; L282-Q284 VanDerWaalsContact C-N 3.33Å; L282-Q284 PolarHBondContact O-N 2.91Å; L282-F285 HydrophobicContact CD2-CD2 4.49Å; L282-F285 PolarHBondContact O-N 3.46Å; L282-Y342 HydrophobicContact CB-CE2 4.49Å; L282-Y342 HydrophobicContact CD2-CE2 4.42Å; L282-Y342 WeakPolarHBondContact O-CE2 3.43Å; L282-M346 HydrophobicContact CD2-CB 4.11Å; L282-M346 HydrophobicContact CD2-CG 3.74Å; L282-L349 HydrophobicContact CD2-CD2 3.67Å; L282-L349 HydrophobicContact CG-CD2 3.97Å
283	F	93.8	Very high	90.6	Very high	17 Å²	17	51.7 Å²	51.7	8%	0.075	25%	0.25	C	C	.	.	H	α-helix	trans	-63.7	-36.3	177	-173.2	-99.5	0	0	0	113.1	F230 L234 Q236 Y243 T279 S280 R281 F285 L286	F230-F283 HydrophobicContact CD1-CD2 4.4Å; F230-F283 HydrophobicContact CE1-CB 3.8Å; F230-F283 HydrophobicContact CE1-CD2 4.13Å; F230-F283 HydrophobicContact CE1-CG 4.48Å; F230-F283 HydrophobicContact CE2-CD2 4.28Å; F230-F283 HydrophobicContact CZ-CB 4.09Å; F230-F283 HydrophobicContact CZ-CD2 4.07Å; L234-F283 HydrophobicContact CB-CD1 4.45Å; L234-F283 HydrophobicContact CB-CD2 3.77Å; L234-F283 HydrophobicContact CB-CE1 4.08Å; L234-F283 HydrophobicContact CB-CE2 3.35Å; L234-F283 HydrophobicContact CB-CG 4.31Å; L234-F283 HydrophobicContact CB-CZ 3.53Å; L234-F283 HydrophobicContact CD1-CB 4.3Å; L234-F283 HydrophobicContact CD1-CD1 4.46Å; L234-F283 HydrophobicContact CD1-CD2 3.83Å; L234-F283 HydrophobicContact CD1-CE2 4.31Å; L234-F283 HydrophobicContact CD1-CG 3.92Å; L234-F283 HydrophobicContact CG-CD2 4.47Å; L234-F283 HydrophobicContact CG-CE2 4.48Å; Q236-F283 HydrophobicContact CG-CE1 4.01Å; Q236-F283 HydrophobicContact CG-CZ 4Å; Y243-F283 HydrophobicContact CE2-CD1 4.09Å; Y243-F283 HydrophobicContact CE2-CE1 4.19Å; T279-F283 WeakPolarHBondContact O-CB 3.43Å; T279-F283 PolarHBondContact O-N 2.95Å; S280-F283 PolarHBondContact O-N 2.81Å; R281-F283 VanDerWaalsContact C-N 3.33Å; R281-F283 PolarHBondContact O-N 3.39Å; F283-F285 VanDerWaalsContact C-N 3.28Å; F283-F285 PolarHBondContact O-N 3.17Å; F283-L286 HydrophobicContact CD2-CD1 3.58Å; F283-L286 HydrophobicContact CE2-CD1 3.91Å; F283-L286 HydrophobicContact CG-CD1 4.3Å; F283-L286 WeakPolarHBondContact O-CG 3.24Å; F283-L286 PolarHBondContact O-N 2.84Å
284	Q	92.6	Very high	89.7	Confident	130 Å²	130	53.7 Å²	53.7	61%	0.607	27%	0.269	S	S	*	.	H	α-helix	trans	-69.1	-22.2	176.6	-73.3	170	-3.5	0	0	113.6	S280 R281 L282 L286	S280-Q284 WeakPolarHBondContact O-CG 3.31Å; S280-Q284 PolarHBondContact O-N 2.82Å; R281-Q284 PolarHBondContact O-N 3.45Å; L282-Q284 VanDerWaalsContact C-N 3.33Å; L282-Q284 PolarHBondContact O-N 2.91Å; Q284-L286 VanDerWaalsContact C-N 3.34Å
285	F	95	Very high	89	Confident	48 Å²	48	56.2 Å²	56.2	21%	0.211	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-10.9	178.4	-60.2	-24.3	0	0	0	113.9	R281 L282 F283 Y342 N345 L349	R281-F285 HydrophobicContact CB-CZ 4.32Å; R281-F285 WeakPolarHBondContact O-CD1 3.24Å; R281-F285 WeakPolarHBondContact O-CD2 3.34Å; R281-F285 VanDerWaalsContact O-CG 3.24Å; R281-F285 WeakPolarHBondContact O-CG 3.37Å; R281-F285 PolarHBondContact O-N 3.31Å; L282-F285 HydrophobicContact CD2-CD2 4.49Å; L282-F285 PolarHBondContact O-N 3.46Å; F283-F285 VanDerWaalsContact C-N 3.28Å; F283-F285 PolarHBondContact O-N 3.17Å; F285-Y342 HydrophobicContact CB-CD2 3.68Å; F285-Y342 HydrophobicContact CB-CE2 4.11Å; F285-N345 HydrophobicContact CB-CB 4.04Å; F285-N345 HydrophobicContact CD1-CB 3.86Å; F285-N345 HydrophobicContact CD2-CB 3.54Å; F285-N345 HydrophobicContact CE1-CB 4.14Å; F285-N345 HydrophobicContact CE2-CB 3.84Å; F285-N345 VanDerWaalsContact CE2-O 3.31Å; F285-N345 WeakPolarHBondContact CE2-O 3.42Å; F285-N345 HydrophobicContact CG-CB 3.56Å; F285-N345 HydrophobicContact CZ-CB 4.12Å; F285-L349 HydrophobicContact CE2-CB 3.97Å; F285-L349 HydrophobicContact CE2-CD2 3.91Å; F285-L349 HydrophobicContact CZ-CB 4.44Å
286	L	92.1	Very high	88.2	Confident	15 Å²	15	59.1 Å²	59.1	8%	0.079	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-71.4	138.1	-176.1	-56.6	176.9	0	0	0	112.3	Q227 F230 Q236 F283 Q284 Y342	Q227-L286 HydrophobicContact CB-CD2 3.46Å; Q227-L286 VanDerWaalsContact CB-CD2 3.46Å; Q227-L286 HydrophobicContact CG-CD2 4.24Å; F230-L286 HydrophobicContact CE2-CD1 3.73Å; F230-L286 HydrophobicContact CE2-CD2 4.49Å; F230-L286 HydrophobicContact CZ-CD1 3.92Å; Q236-L286 PolarHBondContact NE2-O 3.45Å; F283-L286 HydrophobicContact CD2-CD1 3.58Å; F283-L286 HydrophobicContact CE2-CD1 3.91Å; F283-L286 HydrophobicContact CG-CD1 4.3Å; F283-L286 WeakPolarHBondContact O-CG 3.24Å; F283-L286 PolarHBondContact O-N 2.84Å; Q284-L286 VanDerWaalsContact C-N 3.34Å; L286-Y342 HydrophobicContact CD2-CD2 3.61Å; L286-Y342 HydrophobicContact CD2-CE2 3.7Å; L286-Y342 HydrophobicContact CD2-CG 4.22Å
287	R	88.5	Confident	87.5	Confident	61 Å²	61	64.4 Å²	64.4	23%	0.23	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-94.5	121.5	164	-161.6	171.5	-57.6	176.5	11.9	111.5	Q291 R292 D339	R287-Q291 HydrophobicContact CG-CB 4.15Å; R287-Q291 HydrophobicContact CG-CG 4.13Å; R287-Q291 VanDerWaalsContact CG-OE1 3.29Å; R287-R292 HydrophobicContact CB-CG 3.9Å; R287-R292 HydrophobicContact CG-CG 3.85Å; R287-R292 PolarHBondContact O-NE 2.84Å; R287-D339 WeakPolarHBondContact CB-OD2 3.37Å; R287-D339 PolarHBondContact N-OD2 3.38Å
288	P	83.7	Confident	87	Confident	35 Å²	35	64.8 Å²	64.8	23%	0.227	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-50.5	146.9	176.2	-31.1	37	0	0	0	113.8	E290 Q291 R292	P288-E290 VanDerWaalsContact C-N 3.29Å; P288-E290 PolarHBondContact O-N 3.17Å; P288-Q291 HydrophobicContact CB-CB 4.25Å; P288-Q291 PolarHBondContact O-N 3Å; P288-Q291 VanDerWaalsContact O-N 3.12Å; P288-R292 PolarHBondContact O-N 3.04Å
289	L	80.3	Confident	86.8	Confident	83 Å²	83	69 Å²	69	44%	0.435	35%	0.349	S	S	.	.	H	α-helix	trans	-63.8	-35.5	-178.6	-176.2	61.6	0	0	0	111.7	R292 R293 L298	L289-R292 PolarHBondContact O-N 3.08Å; L289-R293 VanDerWaalsContact O-CB 3.23Å; L289-R293 WeakPolarHBondContact O-CB 3.3Å; L289-R293 PolarHBondContact O-N 3.38Å; L289-L298 HydrophobicContact CD1-CD2 3.97Å
290	E	77.2	Confident	86.7	Confident	139 Å²	139	72.9 Å²	72.9	65%	0.65	37%	0.367	S	S	*	.	H	α-helix	trans	-62.1	-44.2	173.9	-58	81.1	-177.6	0	0	110.9	P288 R293 A294	P288-E290 VanDerWaalsContact C-N 3.29Å; P288-E290 PolarHBondContact O-N 3.17Å; E290-R293 PolarHBondContact O-N 2.88Å; E290-A294 VanDerWaalsContact O-CB 3.3Å; E290-A294 WeakPolarHBondContact O-CB 3.47Å; E290-A294 PolarHBondContact O-N 2.85Å
291	Q	81.3	Confident	86.8	Confident	90 Å²	90	74.9 Å²	74.9	42%	0.421	37%	0.374	S	S	.	.	H	α-helix	trans	-68	-42.4	178.9	-169.1	-177.1	16.5	0	0	111.5	R287 P288 R293 A294 Q295	R287-Q291 HydrophobicContact CG-CB 4.15Å; R287-Q291 HydrophobicContact CG-CG 4.13Å; R287-Q291 VanDerWaalsContact CG-OE1 3.29Å; P288-Q291 HydrophobicContact CB-CB 4.25Å; P288-Q291 PolarHBondContact O-N 3Å; P288-Q291 VanDerWaalsContact O-N 3.12Å; Q291-R293 VanDerWaalsContact C-N 3.34Å; Q291-R293 PolarHBondContact O-N 3.13Å; Q291-A294 PolarHBondContact O-N 2.67Å; Q291-Q295 WeakPolarHBondContact O-CB 3.29Å; Q291-Q295 VanDerWaalsContact O-CG 3.28Å; Q291-Q295 WeakPolarHBondContact O-CG 3.5Å; Q291-Q295 PolarHBondContact O-N 3.05Å
292	R	82.4	Confident	86.9	Confident	15 Å²	15	71 Å²	71	6%	0.057	36%	0.36	C	S	.	.	H	α-helix	trans	-59.5	-44	173.1	-75.3	-162.9	-75.5	138	-12.3	111.5	R287 P288 L289 Q295 G296 K297 L298 H338	R287-R292 HydrophobicContact CB-CG 3.9Å; R287-R292 HydrophobicContact CG-CG 3.85Å; R287-R292 PolarHBondContact O-NE 2.84Å; P288-R292 PolarHBondContact O-N 3.04Å; L289-R292 PolarHBondContact O-N 3.08Å; R292-Q295 PolarHBondContact O-N 2.68Å; R292-G296 PolarHBondContact O-N 2.73Å; R292-K297 WeakPolarHBondContact CB-O 3.2Å; R292-K297 CarbonylContact O-C 3.03Å; R292-K297 PolarHBondContact O-N 3.21Å; R292-L298 HydrophobicContact CB-CD2 4.36Å; R292-L298 PolarHBondContact NH1-O 3.34Å; R292-H338 WeakPolarHBondContact CD-O 3.28Å; R292-H338 PolarHBondContact NH1-O 2.79Å
293	R	80	Confident	87	Confident	163 Å²	163	72.6 Å²	72.6	62%	0.615	37%	0.369	S	S	*	.	H	α-helix	trans	-63.9	-48.6	176.7	-171.1	178.4	-69.7	164.3	-1.4	111.9	L289 E290 Q291 Q295 G296 L298	L289-R293 VanDerWaalsContact O-CB 3.23Å; L289-R293 WeakPolarHBondContact O-CB 3.3Å; L289-R293 PolarHBondContact O-N 3.38Å; E290-R293 PolarHBondContact O-N 2.88Å; Q291-R293 VanDerWaalsContact C-N 3.34Å; Q291-R293 PolarHBondContact O-N 3.13Å; R293-Q295 VanDerWaalsContact C-N 3.26Å; R293-Q295 PolarHBondContact O-N 3.29Å; R293-G296 PolarHBondContact O-N 3.05Å; R293-L298 HydrophobicContact CB-CD2 3.92Å; R293-L298 HydrophobicContact CG-CD2 4.47Å
294	A	77.2	Confident	87.2	Confident	92 Å²	92	72 Å²	72	76%	0.76	37%	0.367	S	S	*	.	H	α-helix	trans	-63	-30.7	179.7	0	0	0	0	0	113.1	E290 Q291 G296	E290-A294 VanDerWaalsContact O-CB 3.3Å; E290-A294 WeakPolarHBondContact O-CB 3.47Å; E290-A294 PolarHBondContact O-N 2.85Å; Q291-A294 PolarHBondContact O-N 2.67Å; A294-G296 VanDerWaalsContact C-N 3.34Å
295	Q	81.2	Confident	87.5	Confident	83 Å²	83	69.3 Å²	69.3	39%	0.388	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-4	175.9	-69.9	177	0.5	0	0	114	Q291 R292 R293 K297	Q291-Q295 WeakPolarHBondContact O-CB 3.29Å; Q291-Q295 VanDerWaalsContact O-CG 3.28Å; Q291-Q295 WeakPolarHBondContact O-CG 3.5Å; Q291-Q295 PolarHBondContact O-N 3.05Å; R292-Q295 PolarHBondContact O-N 2.68Å; R293-Q295 VanDerWaalsContact C-N 3.26Å; R293-Q295 PolarHBondContact O-N 3.29Å; Q295-K297 HydrophobicContact CB-CB 4.25Å; Q295-K297 HydrophobicContact CB-CD 4.44Å; Q295-K297 HydrophobicContact CB-CG 4.25Å; Q295-K297 PolarHBondContact O-N 2.92Å
296	G	78.8	Confident	87.6	Confident	67 Å²	67	71.1 Å²	71.1	69%	0.691	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.3	13.9	-169.9	0	0	0	0	0	114	R292 R293 A294	R292-G296 PolarHBondContact O-N 2.73Å; R293-G296 PolarHBondContact O-N 3.05Å; A294-G296 VanDerWaalsContact C-N 3.34Å
297	K	80.3	Confident	87.9	Confident	131 Å²	131	70.5 Å²	70.5	57%	0.57	36%	0.363	S	S	*	.			trans	-107.7	57.7	-175.4	-68	-176.3	-179.3	-173.8	0	110.6	R292 Q295	R292-K297 WeakPolarHBondContact CB-O 3.2Å; R292-K297 CarbonylContact O-C 3.03Å; R292-K297 PolarHBondContact O-N 3.21Å; Q295-K297 HydrophobicContact CB-CB 4.25Å; Q295-K297 HydrophobicContact CB-CD 4.44Å; Q295-K297 HydrophobicContact CB-CG 4.25Å; Q295-K297 PolarHBondContact O-N 2.92Å
298	L	85.5	Confident	88.4	Confident	65 Å²	65	73 Å²	73	34%	0.34	38%	0.375	S	S	.	.	S	Bend	trans	-73	-37.3	177.2	-72.5	174.1	0	0	0	112.3	L289 R292 R293	L289-L298 HydrophobicContact CD1-CD2 3.97Å; R292-L298 HydrophobicContact CB-CD2 4.36Å; R292-L298 PolarHBondContact NH1-O 3.34Å; R293-L298 HydrophobicContact CB-CD2 3.92Å; R293-L298 HydrophobicContact CG-CD2 4.47Å
299	F	91.3	Very high	89	Confident	91 Å²	91	78.7 Å²	78.7	40%	0.399	40%	0.399	S	S	.	.			trans	-154.9	165.6	177.6	67.1	-85.4	0	0	0	111.4	P215 M301 V336 V337	P215-F299 HydrophobicContact CB-CD1 4.27Å; P215-F299 HydrophobicContact CB-CE1 3.54Å; P215-F299 HydrophobicContact CB-CE2 3.9Å; P215-F299 HydrophobicContact CB-CZ 3.34Å; P215-F299 HydrophobicContact CG-CD1 4.1Å; P215-F299 HydrophobicContact CG-CD2 4.03Å; P215-F299 HydrophobicContact CG-CE1 3.86Å; P215-F299 HydrophobicContact CG-CE2 3.77Å; P215-F299 HydrophobicContact CG-CG 4.21Å; P215-F299 HydrophobicContact CG-CZ 3.69Å; F299-M301 HydrophobicContact CD2-SD 4.18Å; F299-M301 HydrophobicContact CE2-CG 4.28Å; F299-M301 HydrophobicContact CE2-SD 4.11Å; F299-V336 HydrophobicContact CB-CG1 3.65Å; F299-V336 HydrophobicContact CD2-CG1 4.09Å; F299-V336 HydrophobicContact CG-CG1 4.05Å; F299-V337 CarbonylContact C-O 3.33Å; F299-V337 WeakPolarHBondContact CA-O 3.3Å
300	Q	94.1	Very high	89.9	Confident	98 Å²	98	77.5 Å²	77.5	46%	0.458	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	140.2	167.1	-174.4	169.9	-2.1	0	0	109.7	V302 V337 V340	Q300-V302 HydrophobicContact CG-CG1 4.09Å; Q300-V337 PolarHBondContact N-O 3.38Å; Q300-V337 PolarHBondContact O-N 3.18Å; Q300-V340 HydrophobicContact CB-CG2 4.06Å
301	M	95.7	Very high	90.9	Very high	64 Å²	64	70.9 Å²	70.9	32%	0.315	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	127.8	169.2	-59.4	-56.6	-62.3	0	0	109.2	H214 V222 F299 S334 L335 V336	H214-M301 WeakPolarHBondContact NE2-CE 3.19Å; V222-M301 HydrophobicContact CG2-CE 4.48Å; F299-M301 HydrophobicContact CD2-SD 4.18Å; F299-M301 HydrophobicContact CE2-CG 4.28Å; F299-M301 HydrophobicContact CE2-SD 4.11Å; M301-S334 WeakPolarHBondContact CE-OG 3.12Å; M301-L335 WeakPolarHBondContact CA-O 3.44Å; M301-V336 HydrophobicContact CE-CG2 4.1Å; M301-V336 HydrophobicContact SD-CB 4.45Å; M301-V336 HydrophobicContact SD-CG2 3.66Å
302	V	97.2	Very high	91.6	Very high	2 Å²	2	70 Å²	70	1%	0.012	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	164.7	175.9	-60.1	0	0	0	0	110.2	Q300 Q306 L307 M310 S334 L335 V337	Q300-V302 HydrophobicContact CG-CG1 4.09Å; V302-Q306 HydrophobicContact CB-CB 4.24Å; V302-L307 HydrophobicContact CG2-CB 4.15Å; V302-M310 HydrophobicContact CG1-CE 4.14Å; V302-M310 HydrophobicContact CG1-SD 4.48Å; V302-S334 CarbonylContact O-C 3.11Å; V302-S334 WeakPolarHBondContact O-CA 3.13Å; V302-S334 PolarHBondContact O-OG 3.38Å; V302-L335 HydrophobicContact CG2-CB 4.4Å; V302-L335 PolarHBondContact N-O 3.35Å; V302-L335 VanDerWaalsContact N-O 3.1Å; V302-L335 PolarHBondContact O-N 3.28Å; V302-V337 HydrophobicContact CG2-CB 4.49Å; V302-V337 HydrophobicContact CG2-CG2 3.53Å
303	T	98.3	Very high	92.3	Very high	35 Å²	35	69.7 Å²	69.7	22%	0.215	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	165	166.5	66.3	0	0	0	0	111.9	D305 Q306 L307 Q333	T303-D305 PolarHBondContact O-N 2.85Å; T303-Q306 PolarHBondContact O-N 3.24Å; T303-Q306 WeakPolarHBondContact OG1-CB 3.42Å; T303-Q306 WeakPolarHBondContact OG1-CG 3.29Å; T303-Q306 PolarHBondContact OG1-N 3.29Å; T303-Q306 VanDerWaalsContact OG1-N 3.11Å; T303-L307 WeakPolarHBondContact O-CB 3.14Å; T303-L307 PolarHBondContact O-N 2.66Å; T303-Q333 CarbonylContact C-O 3.35Å; T303-Q333 VanDerWaalsContact CA-O 3.29Å; T303-Q333 WeakPolarHBondContact CA-O 3.19Å
304	I	98.4	Very high	93.2	Very high	4 Å²	4	62 Å²	62	2%	0.021	34%	0.335	C	S	.	.	H	α-helix	trans	-55.7	-40.4	170.7	-69.2	-179.4	0	0	0	111.1	L307 K308 W316 L317 L320 L329 P331 Q333 L335	I304-L307 PolarHBondContact O-N 3.4Å; I304-K308 WeakPolarHBondContact O-CB 3.33Å; I304-K308 PolarHBondContact O-N 2.83Å; I304-W316 HydrophobicContact CG2-CB 4.13Å; I304-L317 HydrophobicContact CD1-CD1 3.9Å; I304-L317 HydrophobicContact CG2-CB 3.91Å; I304-L317 HydrophobicContact CG2-CD1 4.27Å; I304-L320 HydrophobicContact CD1-CD1 3.98Å; I304-L320 HydrophobicContact CG1-CD1 4.02Å; I304-L329 HydrophobicContact CD1-CB 4.12Å; I304-L329 HydrophobicContact CD1-CD1 4.23Å; I304-P331 PolarHBondContact N-O 2.91Å; I304-Q333 HydrophobicContact CD1-CB 3.87Å; I304-Q333 HydrophobicContact CD1-CG 4.29Å; I304-Q333 HydrophobicContact CG1-CB 4.21Å; I304-Q333 PolarHBondContact N-O 3.16Å; I304-L335 HydrophobicContact CG1-CD1 3.9Å; I304-L335 HydrophobicContact CG1-CD2 3.99Å; I304-L335 HydrophobicContact CG1-CG 4.07Å
305	D	98.2	Very high	94.1	Very high	74 Å²	74	61.1 Å²	61.1	40%	0.396	32%	0.317	S	S	.	.	H	α-helix	trans	-70.3	-42.5	-179.2	-142.7	30.3	0	0	0	112.1	T303 L307 K308 E309 P331	T303-D305 PolarHBondContact O-N 2.85Å; D305-L307 VanDerWaalsContact C-N 3.32Å; D305-L307 PolarHBondContact O-N 3.05Å; D305-K308 WeakPolarHBondContact O-CB 3.44Å; D305-K308 PolarHBondContact O-N 2.85Å; D305-E309 PolarHBondContact O-N 2.68Å; D305-P331 HydrophobicContact CB-CB 4.04Å; D305-P331 PolarHBondContact N-O 3.17Å
306	Q	98.5	Very high	94.9	Very high	86 Å²	86	57.3 Å²	57.3	40%	0.402	30%	0.299	S	S	.	.	H	α-helix	trans	-61.1	-39.9	171.9	-75.2	172.7	-20.8	0	0	112.1	V302 T303 K308 E309 M310	V302-Q306 HydrophobicContact CB-CB 4.24Å; T303-Q306 PolarHBondContact O-N 3.24Å; T303-Q306 WeakPolarHBondContact OG1-CB 3.42Å; T303-Q306 WeakPolarHBondContact OG1-CG 3.29Å; T303-Q306 PolarHBondContact OG1-N 3.29Å; T303-Q306 VanDerWaalsContact OG1-N 3.11Å; Q306-K308 VanDerWaalsContact C-N 3.3Å; Q306-K308 PolarHBondContact O-N 3Å; Q306-E309 PolarHBondContact O-N 3.03Å; Q306-M310 HydrophobicContact CB-CE 4.3Å; Q306-M310 VanDerWaalsContact O-CG 3.32Å; Q306-M310 WeakPolarHBondContact O-CG 3.15Å; Q306-M310 PolarHBondContact O-N 3.03Å
307	L	98.1	Very high	95.8	Very high	3 Å²	3	56.9 Å²	56.9	2%	0.016	28%	0.281	C	S	.	.	H	α-helix	trans	-65.4	-36	176.9	-179.4	56.8	0	0	0	111.7	I225 V302 T303 I304 D305 M310 A311 W316 L335 V337 L343	I225-L307 HydrophobicContact CG1-CD2 4.17Å; V302-L307 HydrophobicContact CG2-CB 4.15Å; T303-L307 WeakPolarHBondContact O-CB 3.14Å; T303-L307 PolarHBondContact O-N 2.66Å; I304-L307 PolarHBondContact O-N 3.4Å; D305-L307 VanDerWaalsContact C-N 3.32Å; D305-L307 PolarHBondContact O-N 3.05Å; L307-M310 PolarHBondContact O-N 3.33Å; L307-A311 PolarHBondContact O-N 2.85Å; L307-W316 HydrophobicContact CD1-CH2 4.5Å; L307-W316 HydrophobicContact CD1-CZ2 4.12Å; L307-W316 HydrophobicContact CD2-CD2 3.67Å; L307-W316 HydrophobicContact CD2-CE3 3.56Å; L307-W316 HydrophobicContact CD2-CG 4.33Å; L307-W316 HydrophobicContact CD2-CH2 4.09Å; L307-W316 HydrophobicContact CD2-CZ2 4.18Å; L307-W316 HydrophobicContact CD2-CZ3 3.78Å; L307-W316 HydrophobicContact CG-CD2 3.81Å; L307-W316 HydrophobicContact CG-CE3 4.22Å; L307-W316 HydrophobicContact CG-CG 4.23Å; L307-W316 HydrophobicContact CG-CH2 4.41Å; L307-W316 HydrophobicContact CG-CZ2 4.02Å; L307-W316 HydrophobicContact CG-CZ3 4.49Å; L307-L335 HydrophobicContact CB-CD1 4.47Å; L307-L335 HydrophobicContact CD2-CD1 3.54Å; L307-V337 HydrophobicContact CD1-CG2 4.31Å; L307-V337 HydrophobicContact CD2-CG2 4.41Å; L307-L343 HydrophobicContact CD1-CD1 3.75Å
308	K	98	Very high	96.6	Very high	114 Å²	114	51.8 Å²	51.8	50%	0.496	26%	0.262	S	S	.	.	H	α-helix	trans	-66.1	-36.6	173.2	177.1	-170.3	166.5	-158.7	0	112.6	I304 D305 Q306 A311 P312	I304-K308 WeakPolarHBondContact O-CB 3.33Å; I304-K308 PolarHBondContact O-N 2.83Å; D305-K308 WeakPolarHBondContact O-CB 3.44Å; D305-K308 PolarHBondContact O-N 2.85Å; Q306-K308 VanDerWaalsContact C-N 3.3Å; Q306-K308 PolarHBondContact O-N 3Å; K308-A311 CarbonylContact O-C 3.06Å; K308-P312 VanDerWaalsContact O-CA 3.23Å; K308-P312 WeakPolarHBondContact O-CA 3.42Å
309	E	98	Very high	97.2	Very high	154 Å²	154	48.7 Å²	48.7	72%	0.72	25%	0.246	S	C	*	.	H	α-helix	trans	-65.6	-38.9	171.8	-68	179.9	157.2	0	0	112.2	D305 Q306	D305-E309 PolarHBondContact O-N 2.68Å; Q306-E309 PolarHBondContact O-N 3.03Å
310	M	97.5	Very high	97.5	Very high	57 Å²	57	44.4 Å²	44.4	28%	0.281	23%	0.227	S	C	.	.	H	α-helix	trans	-76.9	-31	-179.2	-65.6	177.1	-158.8	0	0	113.7	V302 Q306 L307 V340 K344	V302-M310 HydrophobicContact CG1-CE 4.14Å; V302-M310 HydrophobicContact CG1-SD 4.48Å; Q306-M310 HydrophobicContact CB-CE 4.3Å; Q306-M310 VanDerWaalsContact O-CG 3.32Å; Q306-M310 WeakPolarHBondContact O-CG 3.15Å; Q306-M310 PolarHBondContact O-N 3.03Å; L307-M310 PolarHBondContact O-N 3.33Å; M310-V340 HydrophobicContact SD-CG1 3.74Å; M310-K344 HydrophobicContact CB-CG 4.47Å; M310-K344 WeakPolarHBondContact O-CG 3.27Å
311	A	98.2	Very high	97.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.218	C	C	.	.			trans	-139.4	69.7	-174.9	0	0	0	0	0	111.2	L307 K308 A313 W316 L343 S347	L307-A311 PolarHBondContact O-N 2.85Å; K308-A311 CarbonylContact O-C 3.06Å; A311-A313 VanDerWaalsContact C-N 3.28Å; A311-A313 PolarHBondContact O-N 2.97Å; A311-W316 HydrophobicContact CB-CZ2 3.83Å; A311-W316 PolarHBondContact O-NE1 3.46Å; A311-L343 HydrophobicContact CB-CB 4.38Å; A311-S347 VanDerWaalsContact C-OG 3.28Å
312	P	97.8	Very high	97.5	Very high	71 Å²	71	40.9 Å²	40.9	46%	0.461	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-12.6	-168.1	27.3	-37.1	0	0	0	116.1	K308 I314 S347	K308-P312 VanDerWaalsContact O-CA 3.23Å; K308-P312 WeakPolarHBondContact O-CA 3.42Å; P312-I314 PolarHBondContact O-N 2.93Å; P312-I314 VanDerWaalsContact O-N 3.16Å; P312-S347 VanDerWaalsContact CD-OG 3.3Å; P312-S347 WeakPolarHBondContact CD-OG 3.26Å
313	A	97	Very high	97.5	Very high	9 Å²	9	41.2 Å²	41.2	7%	0.074	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-27.8	-179.8	0	0	0	0	0	114.3	N191 A311 S347 V350 E351	N191-A313 PolarHBondContact ND2-O 3.43Å; A311-A313 VanDerWaalsContact C-N 3.28Å; A311-A313 PolarHBondContact O-N 2.97Å; A313-S347 VanDerWaalsContact CB-OG 3.24Å; A313-S347 WeakPolarHBondContact CB-OG 3.3Å; A313-S347 PolarHBondContact N-OG 3.29Å; A313-V350 HydrophobicContact CB-CB 3.9Å; A313-V350 HydrophobicContact CB-CG1 3.79Å; A313-E351 HydrophobicContact CB-CG 3.84Å
314	I	97.6	Very high	97.3	Very high	3 Å²	3	40 Å²	40	2%	0.015	21%	0.208	C	C	.	.	S	Bend	trans	-105.9	132.5	-170.6	-46.5	-56	0	0	0	110.2	F190 L194 F207 P312 W316 M346	F190-I314 HydrophobicContact CE1-CD1 3.96Å; F190-I314 HydrophobicContact CZ-CD1 4.21Å; L194-I314 HydrophobicContact CD2-CD1 3.86Å; L194-I314 HydrophobicContact CD2-CG2 4.07Å; F207-I314 HydrophobicContact CE1-CD1 4.12Å; F207-I314 HydrophobicContact CE1-CG1 3.95Å; F207-I314 HydrophobicContact CE1-CG2 3.96Å; F207-I314 HydrophobicContact CZ-CG2 3.91Å; P312-I314 PolarHBondContact O-N 2.93Å; P312-I314 VanDerWaalsContact O-N 3.16Å; I314-W316 HydrophobicContact CB-CD2 4.03Å; I314-W316 HydrophobicContact CB-CG 4.27Å; I314-W316 HydrophobicContact CB-CZ2 4.06Å; I314-W316 HydrophobicContact CG1-CH2 4.45Å; I314-W316 HydrophobicContact CG1-CZ2 3.91Å; I314-W316 HydrophobicContact CG2-CD2 4.01Å; I314-W316 HydrophobicContact CG2-CE3 4.27Å; I314-W316 HydrophobicContact CG2-CG 4.31Å; I314-W316 PolarHBondContact O-N 3.48Å; I314-M346 HydrophobicContact CD1-SD 4.38Å; I314-M346 HydrophobicContact CG1-CE 4.27Å
315	D	96.9	Very high	96.9	Very high	73 Å²	73	43.6 Å²	43.6	39%	0.39	23%	0.23	S	C	.	.			trans	-75.4	73	166.5	-176.7	2.3	0	0	0	109.5	N191 L317 S318 C319	N191-D315 HydrophobicContact CB-CB 3.92Å; N191-D315 PolarHBondContact OD1-N 3.32Å; D315-L317 PolarHBondContact O-N 3.05Å; D315-S318 PolarHBondContact O-N 3.11Å; D315-S318 WeakPolarHBondContact OD1-CB 3.12Å; D315-S318 PolarHBondContact OD1-N 3.03Å; D315-S318 WeakPolarHBondContact OD2-CB 3.48Å; D315-S318 PolarHBondContact OD2-OG 3.21Å; D315-S318 VanDerWaalsContact OD2-OG 3.13Å; D315-C319 WeakPolarHBondContact O-CB 3.47Å; D315-C319 PolarHBondContact O-N 3.23Å; D315-C319 PolarHBondContact O-SG 3.26Å
316	W	98.1	Very high	96.5	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.008	23%	0.234	C	C	.	.	H	α-helix	trans	-54.2	-50	-170.4	-70.3	100.6	0	0	0	112.7	F207 I225 I304 L307 A311 I314 S318 C319 L320 L343 M346	F207-W316 AromaticContact CD1-CH2 3.95Å; F207-W316 HydrophobicContact CD1-CH2 3.95Å; F207-W316 HydrophobicContact CD1-CZ3 4.28Å; F207-W316 HydrophobicContact CD2-CH2 4.11Å; F207-W316 AromaticContact CD2-CZ3 3.75Å; F207-W316 HydrophobicContact CD2-CZ3 3.75Å; F207-W316 AromaticContact CE1-CH2 3.96Å; F207-W316 HydrophobicContact CE1-CH2 3.96Å; F207-W316 HydrophobicContact CE1-CZ3 4.03Å; F207-W316 HydrophobicContact CE2-CE3 4.23Å; F207-W316 HydrophobicContact CE2-CH2 4.1Å; F207-W316 AromaticContact CE2-CZ3 3.45Å; F207-W316 HydrophobicContact CE2-CZ3 3.45Å; F207-W316 VanDerWaalsContact CE2-CZ3 3.45Å; F207-W316 HydrophobicContact CG-CH2 4.05Å; F207-W316 HydrophobicContact CG-CZ3 4.17Å; F207-W316 HydrophobicContact CZ-CE3 4.22Å; F207-W316 HydrophobicContact CZ-CH2 4.04Å; F207-W316 AromaticContact CZ-CZ3 3.61Å; F207-W316 HydrophobicContact CZ-CZ3 3.61Å; I225-W316 HydrophobicContact CD1-CZ3 4.49Å; I225-W316 HydrophobicContact CG2-CH2 4.25Å; I225-W316 HydrophobicContact CG2-CZ3 4.05Å; I304-W316 HydrophobicContact CG2-CB 4.13Å; L307-W316 HydrophobicContact CD1-CH2 4.5Å; L307-W316 HydrophobicContact CD1-CZ2 4.12Å; L307-W316 HydrophobicContact CD2-CD2 3.67Å; L307-W316 HydrophobicContact CD2-CE3 3.56Å; L307-W316 HydrophobicContact CD2-CG 4.33Å; L307-W316 HydrophobicContact CD2-CH2 4.09Å; L307-W316 HydrophobicContact CD2-CZ2 4.18Å; L307-W316 HydrophobicContact CD2-CZ3 3.78Å; L307-W316 HydrophobicContact CG-CD2 3.81Å; L307-W316 HydrophobicContact CG-CE3 4.22Å; L307-W316 HydrophobicContact CG-CG 4.23Å; L307-W316 HydrophobicContact CG-CH2 4.41Å; L307-W316 HydrophobicContact CG-CZ2 4.02Å; L307-W316 HydrophobicContact CG-CZ3 4.49Å; A311-W316 HydrophobicContact CB-CZ2 3.83Å; A311-W316 PolarHBondContact O-NE1 3.46Å; I314-W316 HydrophobicContact CB-CD2 4.03Å; I314-W316 HydrophobicContact CB-CG 4.27Å; I314-W316 HydrophobicContact CB-CZ2 4.06Å; I314-W316 HydrophobicContact CG1-CH2 4.45Å; I314-W316 HydrophobicContact CG1-CZ2 3.91Å; I314-W316 HydrophobicContact CG2-CD2 4.01Å; I314-W316 HydrophobicContact CG2-CE3 4.27Å; I314-W316 HydrophobicContact CG2-CG 4.31Å; I314-W316 PolarHBondContact O-N 3.48Å; W316-S318 PolarHBondContact O-N 3.44Å; W316-C319 PolarHBondContact O-N 3.06Å; W316-L320 HydrophobicContact CB-CD1 4.46Å; W316-L320 HydrophobicContact CE3-CD1 4.46Å; W316-L320 VanDerWaalsContact O-CB 3.31Å; W316-L320 WeakPolarHBondContact O-CB 3.38Å; W316-L320 WeakPolarHBondContact O-CG 3.26Å; W316-L320 PolarHBondContact O-N 3.24Å; W316-L343 HydrophobicContact CH2-CD1 4.24Å; W316-L343 HydrophobicContact CH2-CD2 4.24Å; W316-M346 HydrophobicContact CH2-CE 4.34Å; W316-M346 HydrophobicContact CZ2-CE 4.32Å
317	L	97.8	Very high	96.1	Very high	58 Å²	58	40.9 Å²	40.9	30%	0.304	22%	0.222	S	C	.	.	H	α-helix	trans	-59.8	-48	-178.1	-176.8	61.8	0	0	0	111.2	I304 D315 Q321 L329 P331	I304-L317 HydrophobicContact CD1-CD1 3.9Å; I304-L317 HydrophobicContact CG2-CB 3.91Å; I304-L317 HydrophobicContact CG2-CD1 4.27Å; D315-L317 PolarHBondContact O-N 3.05Å; L317-Q321 WeakPolarHBondContact O-CB 3.02Å; L317-Q321 PolarHBondContact O-N 3.23Å; L317-L329 HydrophobicContact CD1-CB 4.02Å; L317-P331 HydrophobicContact CD2-CG 4.13Å
318	S	96.8	Very high	95.8	Very high	25 Å²	25	46 Å²	46	18%	0.175	26%	0.258	C	S	.	.	H	α-helix	trans	-64.5	-40.4	179.6	-172	0	0	0	0	112.7	R195 D315 W316 A322	R195-S318 VanDerWaalsContact CD-O 3.31Å; R195-S318 WeakPolarHBondContact CD-O 3.2Å; R195-S318 WeakPolarHBondContact CD-OG 3.43Å; R195-S318 PolarHBondContact NH1-OG 3.01Å; D315-S318 PolarHBondContact O-N 3.11Å; D315-S318 WeakPolarHBondContact OD1-CB 3.12Å; D315-S318 PolarHBondContact OD1-N 3.03Å; D315-S318 WeakPolarHBondContact OD2-CB 3.48Å; D315-S318 PolarHBondContact OD2-OG 3.21Å; D315-S318 VanDerWaalsContact OD2-OG 3.13Å; W316-S318 PolarHBondContact O-N 3.44Å; S318-A322 WeakPolarHBondContact O-CB 3.49Å; S318-A322 PolarHBondContact O-N 3.12Å
319	C	97	Very high	95.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-69.8	-47.3	178.6	-66.7	0	0	0	0	112	M198 D315 W316 T323	M198-C319 HydrophobicContact CE-CB 3.99Å; M198-C319 HydrophobicContact SD-CB 3.86Å; D315-C319 WeakPolarHBondContact O-CB 3.47Å; D315-C319 PolarHBondContact O-N 3.23Å; D315-C319 PolarHBondContact O-SG 3.26Å; W316-C319 PolarHBondContact O-N 3.06Å; C319-T323 WeakPolarHBondContact O-CB 3.44Å; C319-T323 PolarHBondContact O-N 3.43Å; C319-T323 PolarHBondContact O-OG1 3.28Å
320	L	97.6	Very high	95.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-68	-42.6	178.9	-61.5	171.2	0	0	0	110.9	A209 I223 I225 I304 W316 A322 T323 F324 L329 L335	A209-L320 HydrophobicContact CB-CD2 3.79Å; I223-L320 HydrophobicContact CG2-CD2 4.31Å; I225-L320 HydrophobicContact CD1-CD2 3.73Å; I304-L320 HydrophobicContact CD1-CD1 3.98Å; I304-L320 HydrophobicContact CG1-CD1 4.02Å; W316-L320 HydrophobicContact CB-CD1 4.46Å; W316-L320 HydrophobicContact CE3-CD1 4.46Å; W316-L320 VanDerWaalsContact O-CB 3.31Å; W316-L320 WeakPolarHBondContact O-CB 3.38Å; W316-L320 WeakPolarHBondContact O-CG 3.26Å; W316-L320 PolarHBondContact O-N 3.24Å; L320-A322 VanDerWaalsContact C-N 3.33Å; L320-A322 PolarHBondContact O-N 2.81Å; L320-T323 PolarHBondContact O-N 3.15Å; L320-T323 VanDerWaalsContact O-N 3.08Å; L320-F324 HydrophobicContact CB-CD2 4.26Å; L320-F324 HydrophobicContact CB-CE2 4.44Å; L320-F324 HydrophobicContact CD2-CD2 4.47Å; L320-F324 HydrophobicContact CD2-CE2 3.83Å; L320-F324 VanDerWaalsContact O-CD2 3.26Å; L320-F324 WeakPolarHBondContact O-CD2 3.16Å; L320-F324 PolarHBondContact O-N 3.37Å; L320-L329 HydrophobicContact CB-CD1 3.62Å; L320-L335 HydrophobicContact CD1-CD1 4.1Å; L320-L335 HydrophobicContact CD1-CD2 4.34Å
321	Q	96.4	Very high	95.6	Very high	59 Å²	59	36.5 Å²	36.5	28%	0.276	23%	0.225	S	C	.	.	H	α-helix	trans	-60.1	-41.8	178	-179.8	58	78.6	0	0	112	L317 T325 M327	L317-Q321 WeakPolarHBondContact O-CB 3.02Å; L317-Q321 PolarHBondContact O-N 3.23Å; Q321-T325 PolarHBondContact O-N 3.39Å; Q321-T325 PolarHBondContact O-OG1 3.41Å; Q321-T325 VanDerWaalsContact O-OG1 3.04Å; Q321-M327 PolarHBondContact NE2-O 3.1Å
322	A	95.2	Very high	95.6	Very high	29 Å²	29	40.7 Å²	40.7	24%	0.24	26%	0.255	C	S	.	.	H	α-helix	trans	-71.4	-31.1	175.4	0	0	0	0	0	112.9	R195 S199 S318 L320	R195-A322 HydrophobicContact CG-CB 3.48Å; R195-A322 VanDerWaalsContact CG-CB 3.48Å; S199-A322 VanDerWaalsContact CB-O 3.24Å; S199-A322 WeakPolarHBondContact CB-O 3.24Å; S318-A322 WeakPolarHBondContact O-CB 3.49Å; S318-A322 PolarHBondContact O-N 3.12Å; L320-A322 VanDerWaalsContact C-N 3.33Å; L320-A322 PolarHBondContact O-N 2.81Å
323	T	95.6	Very high	95.6	Very high	10 Å²	10	40.4 Å²	40.4	6%	0.061	25%	0.247	C	C	.	.	H	α-helix	trans	-74.1	-36.7	-179.7	-60.6	0	0	0	0	112.4	M198 F204 C319 L320	M198-T323 WeakPolarHBondContact CB-OG1 3.39Å; F204-T323 HydrophobicContact CE1-CG2 4.38Å; F204-T323 HydrophobicContact CZ-CG2 4.1Å; C319-T323 WeakPolarHBondContact O-CB 3.44Å; C319-T323 PolarHBondContact O-N 3.43Å; C319-T323 PolarHBondContact O-OG1 3.28Å; L320-T323 PolarHBondContact O-N 3.15Å; L320-T323 VanDerWaalsContact O-N 3.08Å
324	F	94.9	Very high	95.5	Very high	8 Å²	8	42.1 Å²	42.1	4%	0.035	26%	0.259	C	S	.	.	S	Bend	trans	-108.8	20.4	-174.2	-59	-65	0	0	0	114.1	A209 L211 I223 L320 M327 L329 V520	A209-F324 HydrophobicContact CB-CE2 4.12Å; A209-F324 HydrophobicContact CB-CZ 3.97Å; L211-F324 HydrophobicContact CD1-CD1 4.04Å; L211-F324 HydrophobicContact CD1-CE1 4.39Å; L211-F324 HydrophobicContact CG-CD1 3.92Å; L211-F324 HydrophobicContact CG-CE1 3.84Å; I223-F324 HydrophobicContact CB-CE2 4.32Å; I223-F324 HydrophobicContact CD1-CD2 3.55Å; I223-F324 HydrophobicContact CD1-CE2 3.82Å; I223-F324 HydrophobicContact CD1-CG 4.2Å; I223-F324 HydrophobicContact CG1-CD2 3.94Å; I223-F324 HydrophobicContact CG1-CE2 3.82Å; I223-F324 HydrophobicContact CG1-CG 4.41Å; I223-F324 HydrophobicContact CG1-CZ 4.18Å; I223-F324 HydrophobicContact CG2-CD2 4.41Å; I223-F324 HydrophobicContact CG2-CE2 3.55Å; I223-F324 HydrophobicContact CG2-CZ 3.89Å; L320-F324 HydrophobicContact CB-CD2 4.26Å; L320-F324 HydrophobicContact CB-CE2 4.44Å; L320-F324 HydrophobicContact CD2-CD2 4.47Å; L320-F324 HydrophobicContact CD2-CE2 3.83Å; L320-F324 VanDerWaalsContact O-CD2 3.26Å; L320-F324 WeakPolarHBondContact O-CD2 3.16Å; L320-F324 PolarHBondContact O-N 3.37Å; F324-M327 HydrophobicContact CB-CB 4.41Å; F324-M327 WeakPolarHBondContact O-CA 3.3Å; F324-M327 WeakPolarHBondContact O-CB 3.4Å; F324-M327 PolarHBondContact O-N 2.91Å; F324-L329 HydrophobicContact CD2-CD1 4.47Å; F324-V520 HydrophobicContact CD1-CG2 4.13Å; F324-V520 VanDerWaalsContact O-CG1 3.3Å; F324-V520 WeakPolarHBondContact O-CG1 3.41Å
325	T	90.2	Very high	95.5	Very high	80 Å²	80	42 Å²	42	49%	0.491	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52	132.1	168.8	-60.7	0	0	0	0	110.2	Q321	Q321-T325 PolarHBondContact O-N 3.39Å; Q321-T325 PolarHBondContact O-OG1 3.41Å; Q321-T325 VanDerWaalsContact O-OG1 3.04Å
326	P	88.7	Confident	95.5	Very high	71 Å²	71	38.5 Å²	38.5	46%	0.461	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	cis	-94.9	14.8	12	38.5	-37.6	0	0	0	116	S328 Q521 L524	P326-S328 PolarHBondContact O-N 3.15Å; P326-Q521 HydrophobicContact CG-CG 4.36Å; P326-L524 HydrophobicContact CG-CD1 4.23Å
327	M	90	Very high	95.5	Very high	33 Å²	33	38.4 Å²	38.4	16%	0.163	24%	0.239	C	C	.	.	S	Bend	trans	-65.9	124.6	176.5	-171	-175.3	-70.8	0	0	110.8	L211 I223 Q321 F324 L329 V520 L524	L211-M327 HydrophobicContact CD1-CE 4.21Å; L211-M327 HydrophobicContact CD2-CE 4.02Å; I223-M327 HydrophobicContact CD1-SD 4.42Å; Q321-M327 PolarHBondContact NE2-O 3.1Å; F324-M327 HydrophobicContact CB-CB 4.41Å; F324-M327 WeakPolarHBondContact O-CA 3.3Å; F324-M327 WeakPolarHBondContact O-CB 3.4Å; F324-M327 PolarHBondContact O-N 2.91Å; M327-L329 HydrophobicContact CB-CD2 4.45Å; M327-L329 HydrophobicContact CG-CD2 3.77Å; M327-L329 HydrophobicContact SD-CD2 3.64Å; M327-V520 HydrophobicContact CB-CG1 4.4Å; M327-L524 HydrophobicContact CE-CD2 3.8Å; M327-L524 HydrophobicContact CG-CD2 4.39Å
328	S	91.8	Very high	95.3	Very high	110 Å²	110	37.3 Å²	37.3	77%	0.769	23%	0.232	S	C	*	.			trans	-81.2	125.2	173.5	-60.4	0	0	0	0	110.7	P326	P326-S328 PolarHBondContact O-N 3.15Å
329	L	95.8	Very high	95.2	Very high	20 Å²	20	36.6 Å²	36.6	11%	0.105	23%	0.227	C	C	.	.			trans	-111.2	144	-179.5	-50.2	-176.8	0	0	0	111.2	I223 I304 L317 L320 F324 M327 Q333	I223-L329 HydrophobicContact CD1-CD1 3.93Å; I223-L329 HydrophobicContact CD1-CD2 3.82Å; I304-L329 HydrophobicContact CD1-CB 4.12Å; I304-L329 HydrophobicContact CD1-CD1 4.23Å; L317-L329 HydrophobicContact CD1-CB 4.02Å; L320-L329 HydrophobicContact CB-CD1 3.62Å; F324-L329 HydrophobicContact CD2-CD1 4.47Å; M327-L329 HydrophobicContact CB-CD2 4.45Å; M327-L329 HydrophobicContact CG-CD2 3.77Å; M327-L329 HydrophobicContact SD-CD2 3.64Å; L329-Q333 HydrophobicContact CD2-CG 4.28Å
330	S	97.2	Very high	95.1	Very high	45 Å²	45	37.4 Å²	37.4	32%	0.315	23%	0.232	S	C	.	.			trans	-112.5	161.9	172	64.9	0	0	0	0	111.1	S332 Q333	S330-S332 PolarHBondContact O-N 3.32Å; S330-S332 VanDerWaalsContact O-N 3.15Å; S330-S332 PolarHBondContact OG-OG 3.39Å; S330-Q333 WeakPolarHBondContact O-CB 3.31Å; S330-Q333 PolarHBondContact O-N 2.84Å; S330-Q333 PolarHBondContact OG-N 3.34Å
331	P	97.7	Very high	95	Very high	60 Å²	60	41.2 Å²	41.2	39%	0.39	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-29.9	170.4	-24.4	33.1	0	0	0	113.6	I304 D305 L317 Q333	I304-P331 PolarHBondContact N-O 2.91Å; D305-P331 HydrophobicContact CB-CB 4.04Å; D305-P331 PolarHBondContact N-O 3.17Å; L317-P331 HydrophobicContact CD2-CG 4.13Å; P331-Q333 VanDerWaalsContact C-N 3.33Å
332	S	97.8	Very high	95	Very high	88 Å²	88	38.4 Å²	38.4	62%	0.615	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-5.6	176.9	54.1	0	0	0	0	114.8	S330 S334	S330-S332 PolarHBondContact O-N 3.32Å; S330-S332 VanDerWaalsContact O-N 3.15Å; S330-S332 PolarHBondContact OG-OG 3.39Å; S332-S334 PolarHBondContact O-N 3.06Å
333	Q	96.8	Very high	95.1	Very high	65 Å²	65	37.2 Å²	37.2	30%	0.304	23%	0.226	S	C	.	.			trans	-58.4	127.4	178.5	176.5	58.9	51.7	0	0	110.4	T303 I304 L329 S330 P331 L335	T303-Q333 CarbonylContact C-O 3.35Å; T303-Q333 VanDerWaalsContact CA-O 3.29Å; T303-Q333 WeakPolarHBondContact CA-O 3.19Å; I304-Q333 HydrophobicContact CD1-CB 3.87Å; I304-Q333 HydrophobicContact CD1-CG 4.29Å; I304-Q333 HydrophobicContact CG1-CB 4.21Å; I304-Q333 PolarHBondContact N-O 3.16Å; L329-Q333 HydrophobicContact CD2-CG 4.28Å; S330-Q333 WeakPolarHBondContact O-CB 3.31Å; S330-Q333 PolarHBondContact O-N 2.84Å; S330-Q333 PolarHBondContact OG-N 3.34Å; P331-Q333 VanDerWaalsContact C-N 3.33Å; Q333-L335 HydrophobicContact CG-CD2 4.45Å
334	S	96.5	Very high	95.2	Very high	45 Å²	45	39.8 Å²	39.8	32%	0.315	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	142.9	178.1	-165.7	0	0	0	0	112	M301 V302 S332	M301-S334 WeakPolarHBondContact CE-OG 3.12Å; V302-S334 CarbonylContact O-C 3.11Å; V302-S334 WeakPolarHBondContact O-CA 3.13Å; V302-S334 PolarHBondContact O-OG 3.38Å; S332-S334 PolarHBondContact O-N 3.06Å
335	L	97.5	Very high	95.4	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	152.5	-177.3	-49.2	177.4	0	0	0	109.8	I223 I225 M301 V302 I304 L307 L320 Q333	I223-L335 HydrophobicContact CB-CD2 3.72Å; I223-L335 HydrophobicContact CD1-CD2 4.25Å; I223-L335 HydrophobicContact CG2-CD2 3.8Å; I223-L335 WeakPolarHBondContact O-CA 3.49Å; I225-L335 HydrophobicContact CG1-CD1 4.29Å; M301-L335 WeakPolarHBondContact CA-O 3.44Å; V302-L335 HydrophobicContact CG2-CB 4.4Å; V302-L335 PolarHBondContact N-O 3.35Å; V302-L335 VanDerWaalsContact N-O 3.1Å; V302-L335 PolarHBondContact O-N 3.28Å; I304-L335 HydrophobicContact CG1-CD1 3.9Å; I304-L335 HydrophobicContact CG1-CD2 3.99Å; I304-L335 HydrophobicContact CG1-CG 4.07Å; L307-L335 HydrophobicContact CB-CD1 4.47Å; L307-L335 HydrophobicContact CD2-CD1 3.54Å; L320-L335 HydrophobicContact CD1-CD1 4.1Å; L320-L335 HydrophobicContact CD1-CD2 4.34Å; Q333-L335 HydrophobicContact CG-CD2 4.45Å
336	V	97.3	Very high	95.8	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	125.4	163.5	179.4	0	0	0	0	108.2	P215 V222 I223 Q224 I225 F299 M301	P215-V336 HydrophobicContact CG-CG1 4.38Å; P215-V336 HydrophobicContact CG-CG2 4.13Å; V222-V336 HydrophobicContact CB-CG2 4.38Å; V222-V336 HydrophobicContact CG1-CG2 3.44Å; V222-V336 VanDerWaalsContact CG1-CG2 3.44Å; V222-V336 HydrophobicContact CG2-CG2 4.01Å; I223-V336 PolarHBondContact O-N 3.32Å; Q224-V336 CarbonylContact C-O 3.6Å; Q224-V336 WeakPolarHBondContact CA-O 3.42Å; Q224-V336 HydrophobicContact CB-CB 4.31Å; Q224-V336 HydrophobicContact CG-CB 4.03Å; Q224-V336 HydrophobicContact CG-CG2 4.37Å; I225-V336 PolarHBondContact N-O 2.93Å; F299-V336 HydrophobicContact CB-CG1 3.65Å; F299-V336 HydrophobicContact CD2-CG1 4.09Å; F299-V336 HydrophobicContact CG-CG1 4.05Å; M301-V336 HydrophobicContact CE-CG2 4.1Å; M301-V336 HydrophobicContact SD-CB 4.45Å; M301-V336 HydrophobicContact SD-CG2 3.66Å
337	V	97	Very high	96.2	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.006	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	122.8	172	176.4	0	0	0	0	109.7	I225 F299 Q300 V302 L307 V340 L343	I225-V337 HydrophobicContact CB-CG2 4.25Å; I225-V337 HydrophobicContact CG1-CG2 4.45Å; F299-V337 CarbonylContact C-O 3.33Å; F299-V337 WeakPolarHBondContact CA-O 3.3Å; Q300-V337 PolarHBondContact N-O 3.38Å; Q300-V337 PolarHBondContact O-N 3.18Å; V302-V337 HydrophobicContact CG2-CB 4.49Å; V302-V337 HydrophobicContact CG2-CG2 3.53Å; L307-V337 HydrophobicContact CD1-CG2 4.31Å; L307-V337 HydrophobicContact CD2-CG2 4.41Å; V337-V340 HydrophobicContact CB-CG2 3.99Å; V337-V340 HydrophobicContact CG1-CB 4.38Å; V337-V340 HydrophobicContact CG1-CG2 3.53Å; V337-L343 HydrophobicContact CG1-CD1 3.55Å; V337-L343 HydrophobicContact CG1-CG 4.44Å; V337-L343 HydrophobicContact CG2-CD1 4.4Å
338	H	94.6	Very high	96.6	Very high	34 Å²	34	39.1 Å²	39.1	16%	0.157	22%	0.223	C	C	.	.	S	Bend	trans	-81.5	-29.6	-174.4	-76.7	-73	0	0	0	114.6	Y210 Q224 I225 D226 R292	Y210-H338 PolarHBondContact OH-NE2 3.4Å; Q224-H338 PolarHBondContact OE1-NE2 3.02Å; I225-H338 PolarHBondContact O-CD2 3.2Å; I225-H338 PolarHBondContact O-N 2.94Å; D226-H338 HydrophobicContact CB-CB 4.2Å; D226-H338 VanDerWaalsContact OD1-CB 3.27Å; D226-H338 WeakPolarHBondContact OD1-CB 3.14Å; D226-H338 IonicContact OD1-CG 3.23Å; R292-H338 WeakPolarHBondContact CD-O 3.28Å; R292-H338 PolarHBondContact NH1-O 2.79Å
339	D	94.4	Very high	96.9	Very high	11 Å²	11	34.1 Å²	34.1	6%	0.059	19%	0.187	C	C	.	.			trans	-147.6	98.9	173	-168.6	-19	0	0	0	110.5	R287 E341 Y342 L343	R287-D339 WeakPolarHBondContact CB-OD2 3.37Å; R287-D339 PolarHBondContact N-OD2 3.38Å; D339-E341 PolarHBondContact OD1-N 3.06Å; D339-E341 VanDerWaalsContact OD1-N 3.15Å; D339-Y342 VanDerWaalsContact CG-CB 3.46Å; D339-Y342 PolarHBondContact OD1-N 2.91Å; D339-L343 PolarHBondContact O-N 3.38Å
340	V	94.6	Very high	97	Very high	17 Å²	17	33.2 Å²	33.2	10%	0.103	18%	0.183	C	C	.	.	H	α-helix	trans	-70.3	-32.8	-179.2	171.9	0	0	0	0	112	Q300 M310 V337 L343 K344	Q300-V340 HydrophobicContact CB-CG2 4.06Å; M310-V340 HydrophobicContact SD-CG1 3.74Å; V337-V340 HydrophobicContact CB-CG2 3.99Å; V337-V340 HydrophobicContact CG1-CB 4.38Å; V337-V340 HydrophobicContact CG1-CG2 3.53Å; V340-L343 PolarHBondContact O-N 2.94Å; V340-K344 HydrophobicContact CG1-CD 4.45Å; V340-K344 WeakPolarHBondContact O-CG 3.5Å; V340-K344 PolarHBondContact O-N 3.31Å; V340-K344 VanDerWaalsContact O-N 3.13Å
341	E	94.6	Very high	97	Very high	79 Å²	79	34.4 Å²	34.4	37%	0.369	18%	0.183	S	C	.	.	H	α-helix	trans	-74.5	-35	-179.4	-60.7	-54.4	128.8	0	0	111	D339 L343 K344 N345	D339-E341 PolarHBondContact OD1-N 3.06Å; D339-E341 VanDerWaalsContact OD1-N 3.15Å; E341-L343 PolarHBondContact O-N 2.83Å; E341-K344 PolarHBondContact O-N 2.77Å; E341-K344 IonicContact OE1-NZ 3.64Å; E341-K344 PolarHBondContact OE1-NZ 2.89Å; E341-K344 IonicContact OE2-NZ 3.34Å; E341-N345 PolarHBondContact O-N 3.18Å; E341-N345 VanDerWaalsContact O-N 3.13Å; E341-N345 PolarHBondContact O-ND2 3.29Å; E341-N345 VanDerWaalsContact O-ND2 3.14Å
342	Y	96.7	Very high	97	Very high	1 Å²	1	34.3 Å²	34.3	0%	0.004	18%	0.178	C	C	.	.	H	α-helix	trans	-54.3	-50.4	166.9	171.7	-103.1	0	0	0	111.8	F206 Q227 P228 L282 F285 L286 D339 K344 N345 M346	F206-Y342 PolarHBondContact O-OH 3.32Å; Q227-Y342 HydrophobicContact CB-CE1 4.43Å; P228-Y342 WeakPolarHBondContact CD-OH 3.45Å; P228-Y342 WeakPolarHBondContact CG-OH 3.46Å; L282-Y342 HydrophobicContact CB-CE2 4.49Å; L282-Y342 HydrophobicContact CD2-CE2 4.42Å; L282-Y342 WeakPolarHBondContact O-CE2 3.43Å; F285-Y342 HydrophobicContact CB-CD2 3.68Å; F285-Y342 HydrophobicContact CB-CE2 4.11Å; L286-Y342 HydrophobicContact CD2-CD2 3.61Å; L286-Y342 HydrophobicContact CD2-CE2 3.7Å; L286-Y342 HydrophobicContact CD2-CG 4.22Å; D339-Y342 VanDerWaalsContact CG-CB 3.46Å; D339-Y342 PolarHBondContact OD1-N 2.91Å; Y342-K344 PolarHBondContact O-N 2.86Å; Y342-N345 PolarHBondContact O-N 3.34Å; Y342-M346 HydrophobicContact CE1-CB 4.33Å; Y342-M346 HydrophobicContact CE2-CB 4.48Å; Y342-M346 VanDerWaalsContact O-CB 3.27Å; Y342-M346 WeakPolarHBondContact O-CB 3.23Å; Y342-M346 PolarHBondContact O-N 3.44Å
343	L	97.9	Very high	96.9	Very high	4 Å²	4	30.4 Å²	30.4	2%	0.021	15%	0.15	C	C	.	.	H	α-helix	trans	-65.6	-35.8	-176.9	-65.2	-177	0	0	0	113.3	F207 I225 L307 A311 W316 V337 D339 V340 E341 M346 S347	F207-L343 HydrophobicContact CB-CD2 3.95Å; I225-L343 HydrophobicContact CB-CD1 4.43Å; I225-L343 HydrophobicContact CG2-CD1 3.69Å; I225-L343 HydrophobicContact CG2-CD2 4.21Å; L307-L343 HydrophobicContact CD1-CD1 3.75Å; A311-L343 HydrophobicContact CB-CB 4.38Å; W316-L343 HydrophobicContact CH2-CD1 4.24Å; W316-L343 HydrophobicContact CH2-CD2 4.24Å; V337-L343 HydrophobicContact CG1-CD1 3.55Å; V337-L343 HydrophobicContact CG1-CG 4.44Å; V337-L343 HydrophobicContact CG2-CD1 4.4Å; D339-L343 PolarHBondContact O-N 3.38Å; V340-L343 PolarHBondContact O-N 2.94Å; E341-L343 PolarHBondContact O-N 2.83Å; L343-M346 HydrophobicContact CD2-CE 3.8Å; L343-S347 PolarHBondContact O-N 3.04Å
344	K	98	Very high	96.8	Very high	63 Å²	63	29.7 Å²	29.7	27%	0.274	15%	0.148	S	C	.	.	H	α-helix	trans	-60.7	-51.2	172.3	-72.2	168.5	179.6	172.4	0	111.7	M310 V340 E341 Y342 M346 S347 Q348	M310-K344 HydrophobicContact CB-CG 4.47Å; M310-K344 WeakPolarHBondContact O-CG 3.27Å; V340-K344 HydrophobicContact CG1-CD 4.45Å; V340-K344 WeakPolarHBondContact O-CG 3.5Å; V340-K344 PolarHBondContact O-N 3.31Å; V340-K344 VanDerWaalsContact O-N 3.13Å; E341-K344 PolarHBondContact O-N 2.77Å; E341-K344 IonicContact OE1-NZ 3.64Å; E341-K344 PolarHBondContact OE1-NZ 2.89Å; E341-K344 IonicContact OE2-NZ 3.34Å; Y342-K344 PolarHBondContact O-N 2.86Å; K344-M346 VanDerWaalsContact C-N 3.34Å; K344-M346 PolarHBondContact O-N 3.5Å; K344-S347 WeakPolarHBondContact O-CB 3.14Å; K344-S347 PolarHBondContact O-N 2.86Å; K344-Q348 WeakPolarHBondContact O-CG 3.38Å; K344-Q348 PolarHBondContact O-N 2.89Å; K344-Q348 VanDerWaalsContact O-N 3.11Å
345	N	98.4	Very high	96.7	Very high	53 Å²	53	34.9 Å²	34.9	28%	0.283	17%	0.171	S	C	.	.	H	α-helix	trans	-66	-37.3	-179.2	-66.4	-30.6	0	0	0	111.8	F285 E341 Y342 Q348 L349	F285-N345 HydrophobicContact CB-CB 4.04Å; F285-N345 HydrophobicContact CD1-CB 3.86Å; F285-N345 HydrophobicContact CD2-CB 3.54Å; F285-N345 HydrophobicContact CE1-CB 4.14Å; F285-N345 HydrophobicContact CE2-CB 3.84Å; F285-N345 VanDerWaalsContact CE2-O 3.31Å; F285-N345 WeakPolarHBondContact CE2-O 3.42Å; F285-N345 HydrophobicContact CG-CB 3.56Å; F285-N345 HydrophobicContact CZ-CB 4.12Å; E341-N345 PolarHBondContact O-N 3.18Å; E341-N345 VanDerWaalsContact O-N 3.13Å; E341-N345 PolarHBondContact O-ND2 3.29Å; E341-N345 VanDerWaalsContact O-ND2 3.14Å; Y342-N345 PolarHBondContact O-N 3.34Å; N345-Q348 PolarHBondContact O-N 2.85Å; N345-L349 PolarHBondContact O-N 3.29Å
346	M	98.3	Very high	96.5	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-61.4	-45	172.4	178.7	-80.1	-65.1	0	0	111.5	F206 F207 L282 I314 W316 Y342 L343 K344 Q348 L349 V350	F206-M346 HydrophobicContact CB-CG 4.05Å; F206-M346 HydrophobicContact CB-SD 3.8Å; F207-M346 HydrophobicContact CD1-CE 3.79Å; F207-M346 HydrophobicContact CE1-CE 4.48Å; L282-M346 HydrophobicContact CD2-CB 4.11Å; L282-M346 HydrophobicContact CD2-CG 3.74Å; I314-M346 HydrophobicContact CD1-SD 4.38Å; I314-M346 HydrophobicContact CG1-CE 4.27Å; W316-M346 HydrophobicContact CH2-CE 4.34Å; W316-M346 HydrophobicContact CZ2-CE 4.32Å; Y342-M346 HydrophobicContact CE1-CB 4.33Å; Y342-M346 HydrophobicContact CE2-CB 4.48Å; Y342-M346 VanDerWaalsContact O-CB 3.27Å; Y342-M346 WeakPolarHBondContact O-CB 3.23Å; Y342-M346 PolarHBondContact O-N 3.44Å; L343-M346 HydrophobicContact CD2-CE 3.8Å; K344-M346 VanDerWaalsContact C-N 3.34Å; K344-M346 PolarHBondContact O-N 3.5Å; M346-Q348 PolarHBondContact O-N 3.43Å; M346-L349 PolarHBondContact O-N 3.49Å; M346-V350 WeakPolarHBondContact O-CG2 3.17Å; M346-V350 PolarHBondContact O-N 3.47Å; M346-V350 HydrophobicContact SD-CG2 3.9Å
347	S	98.4	Very high	96.3	Very high	2 Å²	2	45 Å²	45	1%	0.014	22%	0.216	C	C	.	.	H	α-helix	trans	-56.5	-51.6	175.2	-173.1	0	0	0	0	111.7	A311 P312 A313 L343 K344 L349 V350 E351	A311-S347 VanDerWaalsContact C-OG 3.28Å; P312-S347 VanDerWaalsContact CD-OG 3.3Å; P312-S347 WeakPolarHBondContact CD-OG 3.26Å; A313-S347 VanDerWaalsContact CB-OG 3.24Å; A313-S347 WeakPolarHBondContact CB-OG 3.3Å; A313-S347 PolarHBondContact N-OG 3.29Å; L343-S347 PolarHBondContact O-N 3.04Å; K344-S347 WeakPolarHBondContact O-CB 3.14Å; K344-S347 PolarHBondContact O-N 2.86Å; S347-L349 VanDerWaalsContact C-N 3.3Å; S347-L349 PolarHBondContact O-N 3.48Å; S347-V350 PolarHBondContact O-N 2.96Å; S347-E351 PolarHBondContact O-N 3Å; S347-E351 PolarHBondContact OG-OE2 3.43Å
348	Q	98.3	Very high	96.1	Very high	124 Å²	124	49.1 Å²	49.1	58%	0.579	23%	0.232	S	C	*	.	H	α-helix	trans	-59.5	-40.3	-179.5	-68.2	174.9	4.9	0	0	112.4	K344 N345 M346 E352	K344-Q348 WeakPolarHBondContact O-CG 3.38Å; K344-Q348 PolarHBondContact O-N 2.89Å; K344-Q348 VanDerWaalsContact O-N 3.11Å; N345-Q348 PolarHBondContact O-N 2.85Å; M346-Q348 PolarHBondContact O-N 3.43Å; Q348-E352 WeakPolarHBondContact O-CB 3.39Å; Q348-E352 PolarHBondContact O-N 3.13Å
349	L	98.1	Very high	95.9	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.021	23%	0.229	C	C	.	.	H	α-helix	trans	-62.7	-45.7	173	167.1	62	0	0	0	111.6	I278 R281 L282 F285 N345 M346 S347 E352 M353	I278-L349 HydrophobicContact CG2-CD2 4.4Å; R281-L349 HydrophobicContact CB-CD2 3.93Å; R281-L349 VanDerWaalsContact CZ-CD1 3.49Å; L282-L349 HydrophobicContact CD2-CD2 3.67Å; L282-L349 HydrophobicContact CG-CD2 3.97Å; F285-L349 HydrophobicContact CE2-CB 3.97Å; F285-L349 HydrophobicContact CE2-CD2 3.91Å; F285-L349 HydrophobicContact CZ-CB 4.44Å; N345-L349 PolarHBondContact O-N 3.29Å; M346-L349 PolarHBondContact O-N 3.49Å; S347-L349 VanDerWaalsContact C-N 3.3Å; S347-L349 PolarHBondContact O-N 3.48Å; L349-E352 PolarHBondContact O-N 2.97Å; L349-M353 HydrophobicContact CD1-CG 3.8Å; L349-M353 WeakPolarHBondContact O-CB 3.04Å; L349-M353 WeakPolarHBondContact O-CG 3.27Å; L349-M353 PolarHBondContact O-N 3.37Å
350	V	97.9	Very high	95.9	Very high	1 Å²	1	49 Å²	49	1%	0.006	23%	0.231	C	C	.	.	H	α-helix	trans	-63.8	-42.7	178.8	171.5	0	0	0	0	110.9	F190 F206 A313 M346 S347 M353 L354 L361	F190-V350 HydrophobicContact CD1-CG1 4.5Å; F190-V350 HydrophobicContact CE1-CG1 3.7Å; F190-V350 HydrophobicContact CE2-CG1 4.13Å; F190-V350 HydrophobicContact CZ-CG1 3.47Å; F190-V350 VanDerWaalsContact CZ-CG1 3.47Å; F206-V350 HydrophobicContact CD1-CG2 4.14Å; F206-V350 HydrophobicContact CE1-CG2 4.28Å; F206-V350 HydrophobicContact CG-CG2 4.35Å; A313-V350 HydrophobicContact CB-CB 3.9Å; A313-V350 HydrophobicContact CB-CG1 3.79Å; M346-V350 WeakPolarHBondContact O-CG2 3.17Å; M346-V350 PolarHBondContact O-N 3.47Å; M346-V350 HydrophobicContact SD-CG2 3.9Å; S347-V350 PolarHBondContact O-N 2.96Å; V350-M353 PolarHBondContact O-N 2.91Å; V350-L354 HydrophobicContact CG1-CD1 3.85Å; V350-L354 HydrophobicContact CG1-CG 4.25Å; V350-L354 WeakPolarHBondContact O-CB 3.39Å; V350-L354 WeakPolarHBondContact O-CG 3.49Å; V350-L354 PolarHBondContact O-N 3.44Å; V350-L361 HydrophobicContact CG1-CD2 4.29Å
351	E	97.3	Very high	96	Very high	70 Å²	70	48.3 Å²	48.3	33%	0.327	23%	0.227	S	C	.	.	H	α-helix	trans	-62.4	-45	175.6	-73.7	166.8	103.9	0	0	112.1	A313 S347 M353 L354 L355	A313-E351 HydrophobicContact CB-CG 3.84Å; S347-E351 PolarHBondContact O-N 3Å; S347-E351 PolarHBondContact OG-OE2 3.43Å; E351-M353 VanDerWaalsContact C-N 3.34Å; E351-M353 PolarHBondContact O-N 3.35Å; E351-L354 PolarHBondContact O-N 3.06Å; E351-L355 WeakPolarHBondContact O-CG 3.41Å; E351-L355 PolarHBondContact O-N 2.86Å; E351-L355 VanDerWaalsContact O-N 3.15Å
352	E	97.1	Very high	96	Very high	59 Å²	59	44.8 Å²	44.8	28%	0.276	21%	0.21	S	C	.	.	H	α-helix	trans	-56.6	-48	173	174.5	173.9	-143.3	0	0	111.6	R281 Q348 L349 L355 K356	R281-E352 IonicContact CZ-OE2 3.61Å; R281-E352 VanDerWaalsContact CZ-OE2 3.28Å; R281-E352 IonicContact NH1-OE2 3.59Å; R281-E352 PolarHBondContact NH1-OE2 3.48Å; R281-E352 IonicContact NH2-OE2 3.93Å; R281-E352 PolarHBondContact NH2-OE2 2.82Å; Q348-E352 WeakPolarHBondContact O-CB 3.39Å; Q348-E352 PolarHBondContact O-N 3.13Å; L349-E352 PolarHBondContact O-N 2.97Å; E352-L355 PolarHBondContact O-N 2.88Å; E352-K356 HydrophobicContact CG-CD 3.91Å; E352-K356 WeakPolarHBondContact O-CB 3.42Å; E352-K356 WeakPolarHBondContact O-CG 3.3Å; E352-K356 PolarHBondContact O-N 3.45Å; E352-K356 IonicContact OE1-NZ 3.04Å; E352-K356 PolarHBondContact OE1-NZ 3.02Å
353	M	95.6	Very high	95.9	Very high	5 Å²	5	44.7 Å²	44.7	3%	0.025	21%	0.21	C	C	.	.	H	α-helix	trans	-68.9	-35.3	-178.4	-69.8	-61.6	-59.7	0	0	112.3	L274 I278 L349 V350 E351 L355 Q357 R358 F360 L361	L274-M353 HydrophobicContact CD1-CE 4.35Å; L274-M353 HydrophobicContact CD2-CE 4.45Å; L274-M353 HydrophobicContact CG-CE 4.35Å; I278-M353 HydrophobicContact CD1-CE 3.9Å; I278-M353 HydrophobicContact CG1-CE 4.17Å; L349-M353 HydrophobicContact CD1-CG 3.8Å; L349-M353 WeakPolarHBondContact O-CB 3.04Å; L349-M353 WeakPolarHBondContact O-CG 3.27Å; L349-M353 PolarHBondContact O-N 3.37Å; V350-M353 PolarHBondContact O-N 2.91Å; E351-M353 VanDerWaalsContact C-N 3.34Å; E351-M353 PolarHBondContact O-N 3.35Å; M353-L355 VanDerWaalsContact C-N 3.32Å; M353-L355 PolarHBondContact O-N 3.08Å; M353-Q357 HydrophobicContact CE-CB 3.52Å; M353-Q357 CarbonylContact O-C 3.49Å; M353-Q357 WeakPolarHBondContact O-CA 3.35Å; M353-Q357 PolarHBondContact O-N 3.07Å; M353-Q357 HydrophobicContact SD-CB 4.22Å; M353-Q357 PolarHBondContact SD-OE1 2.89Å; M353-R358 PolarHBondContact O-N 2.92Å; M353-R358 VanDerWaalsContact O-N 3.12Å; M353-F360 HydrophobicContact CE-CB 4.2Å; M353-L361 HydrophobicContact CB-CB 4.28Å; M353-L361 HydrophobicContact CB-CD1 4.14Å; M353-L361 HydrophobicContact CB-CD2 4.1Å; M353-L361 HydrophobicContact CB-CG 4.41Å
354	L	94.1	Very high	95.8	Very high	50 Å²	50	45.1 Å²	45.1	26%	0.262	21%	0.212	S	C	.	.	H	α-helix	trans	-63.9	-37.1	175.1	-77.6	170	0	0	0	112.4	F190 V350 E351 R358 L361	F190-L354 HydrophobicContact CB-CD2 3.54Å; F190-L354 HydrophobicContact CD1-CD1 4.16Å; F190-L354 HydrophobicContact CD1-CD2 4.31Å; F190-L354 HydrophobicContact CD2-CD2 4.07Å; F190-L354 HydrophobicContact CG-CD1 4.39Å; F190-L354 HydrophobicContact CG-CD2 3.72Å; V350-L354 HydrophobicContact CG1-CD1 3.85Å; V350-L354 HydrophobicContact CG1-CG 4.25Å; V350-L354 WeakPolarHBondContact O-CB 3.39Å; V350-L354 WeakPolarHBondContact O-CG 3.49Å; V350-L354 PolarHBondContact O-N 3.44Å; E351-L354 PolarHBondContact O-N 3.06Å; L354-R358 HydrophobicContact CD2-CG 4.36Å; L354-L361 HydrophobicContact CD2-CD2 3.65Å; L354-L361 HydrophobicContact CG-CD2 3.7Å
355	L	93.8	Very high	95.7	Very high	154 Å²	154	42.2 Å²	42.2	81%	0.806	20%	0.199	S	C	*	.	H	α-helix	trans	-76.7	-41	178.8	-68.9	170.2	0	0	0	112.6	E351 E352 M353	E351-L355 WeakPolarHBondContact O-CG 3.41Å; E351-L355 PolarHBondContact O-N 2.86Å; E351-L355 VanDerWaalsContact O-N 3.15Å; E352-L355 PolarHBondContact O-N 2.88Å; M353-L355 VanDerWaalsContact C-N 3.32Å; M353-L355 PolarHBondContact O-N 3.08Å
356	K	93.8	Very high	95.6	Very high	144 Å²	144	39.7 Å²	39.7	63%	0.626	19%	0.186	S	C	*	.	H	α-helix	trans	-100.3	-35.9	-170.1	-60.7	178	-173.4	174.4	0	114.8	E352	E352-K356 HydrophobicContact CG-CD 3.91Å; E352-K356 WeakPolarHBondContact O-CB 3.42Å; E352-K356 WeakPolarHBondContact O-CG 3.3Å; E352-K356 PolarHBondContact O-N 3.45Å; E352-K356 IonicContact OE1-NZ 3.04Å; E352-K356 PolarHBondContact OE1-NZ 3.02Å
357	Q	92.8	Very high	95.5	Very high	69 Å²	69	39.7 Å²	39.7	32%	0.322	19%	0.186	S	C	.	.			trans	-147.9	44.2	-158.1	-75.8	-179.5	-19.1	0	0	112.1	L274 M353 D359 F360 L361	L274-Q357 HydrophobicContact CD2-CG 4.42Å; L274-Q357 VanDerWaalsContact CD2-OE1 3.31Å; M353-Q357 HydrophobicContact CE-CB 3.52Å; M353-Q357 CarbonylContact O-C 3.49Å; M353-Q357 WeakPolarHBondContact O-CA 3.35Å; M353-Q357 PolarHBondContact O-N 3.07Å; M353-Q357 HydrophobicContact SD-CB 4.22Å; M353-Q357 PolarHBondContact SD-OE1 2.89Å; Q357-D359 VanDerWaalsContact C-N 3.3Å; Q357-D359 PolarHBondContact O-N 3.11Å; Q357-F360 HydrophobicContact CB-CB 4.3Å; Q357-F360 HydrophobicContact CB-CD2 3.9Å; Q357-F360 HydrophobicContact CG-CD2 4.07Å; Q357-F360 WeakPolarHBondContact O-CB 3.43Å; Q357-F360 PolarHBondContact O-N 2.73Å; Q357-F360 VanDerWaalsContact O-N 3.09Å; Q357-L361 PolarHBondContact O-N 3.08Å
358	R	92.8	Very high	95.3	Very high	88 Å²	88	40 Å²	40	33%	0.332	19%	0.19	S	C	.	.	H	α-helix	trans	-61.9	-31.5	-171.6	-174.1	179.1	165.8	-158.6	-8	114.4	W185 S187 L188 M353 L354 L361 Q362	W185-R358 HydrophobicContact CH2-CB 4.13Å; W185-R358 HydrophobicContact CH2-CG 3.83Å; W185-R358 HydrophobicContact CZ2-CG 4.07Å; S187-R358 PolarHBondContact O-NH2 3.03Å; S187-R358 PolarHBondContact OG-NH1 3.32Å; S187-R358 PolarHBondContact OG-NH2 2.83Å; S187-R358 VanDerWaalsContact OG-NH2 3.13Å; L188-R358 VanDerWaalsContact C-NH2 3.33Å; L188-R358 PolarHBondContact O-NH2 3.32Å; M353-R358 PolarHBondContact O-N 2.92Å; M353-R358 VanDerWaalsContact O-N 3.12Å; L354-R358 HydrophobicContact CD2-CG 4.36Å; R358-L361 PolarHBondContact O-N 2.85Å; R358-Q362 PolarHBondContact O-N 2.82Å
359	D	92.2	Very high	95.2	Very high	20 Å²	20	34.1 Å²	34.1	11%	0.107	16%	0.162	C	C	.	.	H	α-helix	trans	-70.5	-35.1	174.8	53.7	-16.7	0	0	0	112.8	R180 W185 Q357 S363	R180-D359 VanDerWaalsContact CD-OD2 3.23Å; R180-D359 WeakPolarHBondContact CD-OD2 3.29Å; R180-D359 HydrophobicContact CG-CB 4.23Å; R180-D359 IonicContact CZ-OD2 3.32Å; R180-D359 VanDerWaalsContact CZ-OD2 3.32Å; R180-D359 IonicContact NE-OD2 3.44Å; R180-D359 PolarHBondContact NE-OD2 3.35Å; R180-D359 IonicContact NH1-OD2 2.74Å; R180-D359 PolarHBondContact NH1-OD2 3.48Å; W185-D359 HydrophobicContact CE3-CB 3.91Å; W185-D359 HydrophobicContact CH2-CB 4.03Å; W185-D359 HydrophobicContact CZ3-CB 3.61Å; Q357-D359 VanDerWaalsContact C-N 3.3Å; Q357-D359 PolarHBondContact O-N 3.11Å; D359-S363 WeakPolarHBondContact O-CB 3.13Å; D359-S363 PolarHBondContact O-N 2.68Å; D359-S363 PolarHBondContact O-OG 3.17Å
360	F	94.3	Very high	95.1	Very high	23 Å²	23	34 Å²	34	10%	0.101	16%	0.161	C	C	.	.	H	α-helix	trans	-68.9	-40	170.3	-64.3	-80.2	0	0	0	112.3	E270 H271 L274 M353 Q357 S363 H364	E270-F360 HydrophobicContact CG-CE1 3.91Å; E270-F360 HydrophobicContact CG-CZ 4.1Å; H271-F360 HydrophobicContact CB-CD1 4.33Å; H271-F360 HydrophobicContact CB-CE1 4.45Å; H271-F360 AromaticContact CE1-CD1 3.63Å; H271-F360 AromaticContact CE1-CE1 3.6Å; H271-F360 AromaticContact CG-CD1 3.82Å; H271-F360 AromaticContact CG-CE1 3.79Å; H271-F360 AromaticContact ND1-CD1 3.09Å; H271-F360 WeakPolarHBondContact ND1-CD1 3.42Å; H271-F360 AromaticContact ND1-CE1 3.35Å; H271-F360 WeakPolarHBondContact ND1-CE1 3.46Å; H271-F360 AromaticContact ND1-CG 3.85Å; L274-F360 HydrophobicContact CB-CD1 3.84Å; L274-F360 HydrophobicContact CB-CE1 4.4Å; L274-F360 HydrophobicContact CB-CG 4.36Å; L274-F360 HydrophobicContact CD2-CB 3.58Å; L274-F360 HydrophobicContact CD2-CD1 3.46Å; L274-F360 VanDerWaalsContact CD2-CD1 3.46Å; L274-F360 HydrophobicContact CD2-CD2 3.64Å; L274-F360 HydrophobicContact CD2-CE1 3.99Å; L274-F360 HydrophobicContact CD2-CE2 4.13Å; L274-F360 HydrophobicContact CD2-CG 3.26Å; L274-F360 HydrophobicContact CD2-CZ 4.29Å; L274-F360 HydrophobicContact CG-CB 3.9Å; L274-F360 HydrophobicContact CG-CD1 3.99Å; L274-F360 HydrophobicContact CG-CG 4Å; M353-F360 HydrophobicContact CE-CB 4.2Å; Q357-F360 HydrophobicContact CB-CB 4.3Å; Q357-F360 HydrophobicContact CB-CD2 3.9Å; Q357-F360 HydrophobicContact CG-CD2 4.07Å; Q357-F360 WeakPolarHBondContact O-CB 3.43Å; Q357-F360 PolarHBondContact O-N 2.73Å; Q357-F360 VanDerWaalsContact O-N 3.09Å; F360-S363 CarbonylContact O-C 3.54Å; F360-S363 PolarHBondContact O-N 3.46Å; F360-S363 VanDerWaalsContact O-N 3.12Å; F360-H364 PolarHBondContact O-N 2.93Å
361	L	95.1	Very high	95	Very high	2 Å²	2	34 Å²	34	1%	0.01	16%	0.161	C	C	.	.	H	α-helix	trans	-63	-42.7	174.7	-172.3	64.5	0	0	0	112.1	F190 F206 V350 M353 L354 Q357 R358 S363 H364 M365	F190-L361 HydrophobicContact CD2-CD2 3.69Å; F190-L361 HydrophobicContact CD2-CG 4.17Å; F190-L361 HydrophobicContact CE2-CD1 4.46Å; F190-L361 HydrophobicContact CE2-CD2 3.67Å; F190-L361 HydrophobicContact CE2-CG 4Å; F206-L361 HydrophobicContact CE1-CD1 3.85Å; F206-L361 HydrophobicContact CZ-CD1 3.63Å; F206-L361 HydrophobicContact CZ-CG 4.42Å; V350-L361 HydrophobicContact CG1-CD2 4.29Å; M353-L361 HydrophobicContact CB-CB 4.28Å; M353-L361 HydrophobicContact CB-CD1 4.14Å; M353-L361 HydrophobicContact CB-CD2 4.1Å; M353-L361 HydrophobicContact CB-CG 4.41Å; L354-L361 HydrophobicContact CD2-CD2 3.65Å; L354-L361 HydrophobicContact CG-CD2 3.7Å; Q357-L361 PolarHBondContact O-N 3.08Å; R358-L361 PolarHBondContact O-N 2.85Å; L361-S363 VanDerWaalsContact C-N 3.33Å; L361-H364 PolarHBondContact O-N 3.08Å; L361-M365 WeakPolarHBondContact O-CG 3.29Å; L361-M365 PolarHBondContact O-N 2.93Å
362	Q	94.9	Very high	94.9	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.019	16%	0.164	C	C	.	.	H	α-helix	trans	-58.1	-47.3	169.1	177.7	80.2	1.3	0	0	110.7	L176 G178 W185 T193 R358 H364 M365 I366	L176-Q362 PolarHBondContact O-NE2 3.34Å; G178-Q362 PolarHBondContact O-NE2 3.48Å; W185-Q362 HydrophobicContact CZ2-CB 4.21Å; T193-Q362 PolarHBondContact OG1-OE1 3.48Å; R358-Q362 PolarHBondContact O-N 2.82Å; Q362-H364 VanDerWaalsContact C-N 3.32Å; Q362-H364 PolarHBondContact O-N 3.2Å; Q362-M365 PolarHBondContact O-N 2.92Å; Q362-I366 HydrophobicContact CG-CG1 4.28Å; Q362-I366 WeakPolarHBondContact O-CG1 3.35Å; Q362-I366 PolarHBondContact O-N 3.24Å
363	S	94.9	Very high	94.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-65.3	-34.5	-176.6	-56.9	0	0	0	0	112.4	H271 D359 F360 L361 L367	H271-S363 PolarHBondContact ND1-OG 3.16Å; D359-S363 WeakPolarHBondContact O-CB 3.13Å; D359-S363 PolarHBondContact O-N 2.68Å; D359-S363 PolarHBondContact O-OG 3.17Å; F360-S363 CarbonylContact O-C 3.54Å; F360-S363 PolarHBondContact O-N 3.46Å; F360-S363 VanDerWaalsContact O-N 3.12Å; L361-S363 VanDerWaalsContact C-N 3.33Å; S363-L367 VanDerWaalsContact O-CB 3.22Å; S363-L367 WeakPolarHBondContact O-CB 3.31Å; S363-L367 WeakPolarHBondContact O-CG 3.5Å; S363-L367 PolarHBondContact O-N 3.38Å
364	H	95.8	Very high	94.7	Very high	13 Å²	13	31.2 Å²	31.2	6%	0.06	15%	0.153	C	C	.	.	H	α-helix	trans	-61.6	-49.9	171.3	173.1	76.6	0	0	0	112	F206 S275 I278 T279 F360 L361 Q362 I366 L367 G368	F206-H364 AromaticContact CE1-CD2 3.64Å; F206-H364 AromaticContact CE1-NE2 3.84Å; S275-H364 PolarHBondContact O-ND1 2.89Å; S275-H364 PolarHBondContact OG-ND1 3.04Å; I278-H364 HydrophobicContact CD1-CB 3.65Å; T279-H364 PolarHBondContact OG1-CE1 3.14Å; F360-H364 PolarHBondContact O-N 2.93Å; L361-H364 PolarHBondContact O-N 3.08Å; Q362-H364 VanDerWaalsContact C-N 3.32Å; Q362-H364 PolarHBondContact O-N 3.2Å; H364-I366 VanDerWaalsContact C-N 3.35Å; H364-I366 PolarHBondContact O-N 3.05Å; H364-L367 PolarHBondContact O-N 3.41Å; H364-G368 PolarHBondContact O-N 3.44Å
365	M	96.3	Very high	94.6	Very high	2 Å²	2	31 Å²	31	1%	0.01	16%	0.155	C	C	.	.	H	α-helix	trans	-59.4	-42.1	176.7	-71	-167.8	-66.1	0	0	113	F190 T193 L194 L197 P205 F206 L361 Q362 L369	F190-M365 HydrophobicContact CD2-CE 3.66Å; F190-M365 HydrophobicContact CD2-SD 3.92Å; F190-M365 HydrophobicContact CE2-CE 4.01Å; F190-M365 HydrophobicContact CE2-SD 3.67Å; T193-M365 HydrophobicContact CG2-CE 3.9Å; T193-M365 HydrophobicContact CG2-SD 4.47Å; L194-M365 HydrophobicContact CB-SD 4.41Å; L197-M365 HydrophobicContact CD1-CB 3.73Å; L197-M365 HydrophobicContact CD1-CG 4.25Å; L197-M365 HydrophobicContact CD1-SD 4.08Å; P205-M365 HydrophobicContact CB-CG 4.35Å; P205-M365 HydrophobicContact CG-CG 4.01Å; F206-M365 HydrophobicContact CE2-CG 3.82Å; F206-M365 HydrophobicContact CE2-SD 3.83Å; F206-M365 HydrophobicContact CZ-CG 3.67Å; F206-M365 HydrophobicContact CZ-SD 4.16Å; L361-M365 WeakPolarHBondContact O-CG 3.29Å; L361-M365 PolarHBondContact O-N 2.93Å; Q362-M365 PolarHBondContact O-N 2.92Å; M365-L369 PolarHBondContact O-N 3.29Å
366	I	95.5	Very high	94.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-75.2	-38.6	179.3	-58.9	-60.1	0	0	0	111.3	I173 L176 W179 T193 Q362 H364 G368 L369 V370	I173-I366 HydrophobicContact CD1-CG2 4.27Å; I173-I366 HydrophobicContact CG1-CG2 3.86Å; I173-I366 HydrophobicContact CG2-CG2 4.25Å; L176-I366 HydrophobicContact CB-CD1 3.71Å; L176-I366 HydrophobicContact CD1-CD1 3.85Å; L176-I366 HydrophobicContact CG-CD1 4.41Å; W179-I366 HydrophobicContact CD2-CB 4.36Å; W179-I366 HydrophobicContact CD2-CG2 3.84Å; W179-I366 HydrophobicContact CE3-CB 3.63Å; W179-I366 HydrophobicContact CE3-CG2 3.38Å; W179-I366 HydrophobicContact CG-CG2 4.44Å; W179-I366 HydrophobicContact CH2-CG2 4.42Å; W179-I366 HydrophobicContact CZ3-CB 4.1Å; W179-I366 HydrophobicContact CZ3-CG2 3.66Å; T193-I366 HydrophobicContact CG2-CD1 4.49Å; Q362-I366 HydrophobicContact CG-CG1 4.28Å; Q362-I366 WeakPolarHBondContact O-CG1 3.35Å; Q362-I366 PolarHBondContact O-N 3.24Å; H364-I366 VanDerWaalsContact C-N 3.35Å; H364-I366 PolarHBondContact O-N 3.05Å; I366-G368 PolarHBondContact O-N 3.22Å; I366-L369 PolarHBondContact O-N 3.42Å; I366-V370 HydrophobicContact CG2-CG2 4.34Å; I366-V370 VanDerWaalsContact O-CG2 3.31Å; I366-V370 WeakPolarHBondContact O-CG2 2.88Å; I366-V370 PolarHBondContact O-N 3.13Å
367	L	95.6	Very high	94.8	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-58.1	-47.4	173.3	-80.4	173.2	0	0	0	110.8	W179 I181 L254 S363 H364 L369 V370 V371	W179-L367 HydrophobicContact CH2-CD2 3.86Å; W179-L367 HydrophobicContact CH2-CG 4.46Å; W179-L367 HydrophobicContact CZ3-CB 4.46Å; W179-L367 HydrophobicContact CZ3-CD2 3.61Å; W179-L367 HydrophobicContact CZ3-CG 3.71Å; I181-L367 HydrophobicContact CD1-CD1 4.35Å; I181-L367 HydrophobicContact CD1-CD2 4.25Å; I181-L367 HydrophobicContact CD1-CG 4.31Å; L254-L367 HydrophobicContact CD1-CD1 4.49Å; L254-L367 HydrophobicContact CD2-CB 4.42Å; L254-L367 HydrophobicContact CD2-CD2 4.33Å; S363-L367 VanDerWaalsContact O-CB 3.22Å; S363-L367 WeakPolarHBondContact O-CB 3.31Å; S363-L367 WeakPolarHBondContact O-CG 3.5Å; S363-L367 PolarHBondContact O-N 3.38Å; H364-L367 PolarHBondContact O-N 3.41Å; L367-L369 VanDerWaalsContact C-N 3.3Å; L367-L369 PolarHBondContact O-N 3.47Å; L367-V370 PolarHBondContact O-N 3.46Å; L367-V370 VanDerWaalsContact O-N 3.08Å; L367-V371 WeakPolarHBondContact O-CG2 3.35Å; L367-V371 PolarHBondContact O-N 3.13Å
368	G	95.4	Very high	95	Very high	9 Å²	9	14.3 Å²	14.3	9%	0.093	8%	0.077	C	C	.	.	H	α-helix	trans	-57.8	-40.2	176.4	0	0	0	0	0	113	H203 H364 I366 V371 T372	H203-G368 PolarHBondContact CE1-O 3.22Å; H364-G368 PolarHBondContact O-N 3.44Å; I366-G368 PolarHBondContact O-N 3.22Å; G368-V371 PolarHBondContact O-N 3.42Å; G368-T372 PolarHBondContact O-N 2.94Å; G368-T372 PolarHBondContact O-OG1 2.86Å
369	L	95.8	Very high	95.2	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-64.8	-44.6	172.3	-177.6	67.8	0	0	0	112.3	V172 L176 L197 Y201 H203 M365 I366 L367 V371 T372 L373	V172-L369 HydrophobicContact CG1-CD2 3.71Å; L176-L369 HydrophobicContact CD1-CD2 3.32Å; L197-L369 HydrophobicContact CD2-CB 3.92Å; L197-L369 HydrophobicContact CD2-CD1 4.13Å; L197-L369 HydrophobicContact CD2-CD2 3.73Å; L197-L369 HydrophobicContact CD2-CG 4.14Å; Y201-L369 HydrophobicContact CD1-CD1 3.97Å; Y201-L369 HydrophobicContact CD1-CD2 4.25Å; Y201-L369 HydrophobicContact CG-CD1 3.85Å; Y201-L369 HydrophobicContact CG-CD2 4.28Å; H203-L369 HydrophobicContact CB-CD1 4.01Å; M365-L369 PolarHBondContact O-N 3.29Å; I366-L369 PolarHBondContact O-N 3.42Å; L367-L369 VanDerWaalsContact C-N 3.3Å; L367-L369 PolarHBondContact O-N 3.47Å; L369-V371 VanDerWaalsContact C-N 3.28Å; L369-V371 PolarHBondContact O-N 2.89Å; L369-T372 WeakPolarHBondContact O-CA 3.43Å; L369-T372 WeakPolarHBondContact O-CB 3.28Å; L369-T372 PolarHBondContact O-N 2.9Å; L369-T372 VanDerWaalsContact O-N 3.11Å; L369-L373 HydrophobicContact CD1-CD1 3.83Å; L369-L373 HydrophobicContact CD1-CD2 4.45Å; L369-L373 HydrophobicContact CD1-CG 3.91Å; L369-L373 HydrophobicContact CD2-CD1 4.2Å; L369-L373 HydrophobicContact CG-CD1 3.8Å; L369-L373 HydrophobicContact CG-CG 4.15Å; L369-L373 WeakPolarHBondContact O-CG 3.38Å; L369-L373 PolarHBondContact O-N 3.25Å
370	V	96.4	Very high	95.4	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-60	-40.5	177.4	172.8	0	0	0	0	110.7	L169 I173 W179 L257 L261 I366 L367 L373 S374	L169-V370 HydrophobicContact CD1-CG2 4.29Å; L169-V370 HydrophobicContact CD2-CB 4.38Å; L169-V370 HydrophobicContact CD2-CG1 3.9Å; L169-V370 HydrophobicContact CD2-CG2 3.97Å; L169-V370 HydrophobicContact CG-CG2 4.49Å; I173-V370 HydrophobicContact CD1-CG2 4Å; W179-V370 HydrophobicContact CH2-CG2 4.21Å; L257-V370 HydrophobicContact CB-CG1 4.16Å; L257-V370 HydrophobicContact CD1-CG1 4.08Å; L257-V370 HydrophobicContact CD2-CG1 4.24Å; L257-V370 HydrophobicContact CG-CG1 4.41Å; L261-V370 HydrophobicContact CD1-CG1 3.91Å; L261-V370 HydrophobicContact CD1-CG2 3.83Å; I366-V370 HydrophobicContact CG2-CG2 4.34Å; I366-V370 VanDerWaalsContact O-CG2 3.31Å; I366-V370 WeakPolarHBondContact O-CG2 2.88Å; I366-V370 PolarHBondContact O-N 3.13Å; L367-V370 PolarHBondContact O-N 3.46Å; L367-V370 VanDerWaalsContact O-N 3.08Å; V370-L373 PolarHBondContact O-N 3.08Å; V370-S374 WeakPolarHBondContact O-CB 3.45Å; V370-S374 PolarHBondContact O-N 3.19Å
371	V	96.1	Very high	95.6	Very high	2 Å²	2	16 Å²	16	1%	0.012	9%	0.094	C	C	.	.	H	α-helix	trans	-61.8	-46.1	173.6	178.4	0	0	0	0	110.9	D231 Y250 Y253 L254 L257 L367 G368 L369 L373 S374	D231-V371 HydrophobicContact CB-CG1 4.34Å; D231-V371 WeakPolarHBondContact OD1-CG1 3.49Å; Y250-V371 HydrophobicContact CE2-CG2 4.45Å; Y253-V371 HydrophobicContact CD1-CG2 4.5Å; Y253-V371 HydrophobicContact CE1-CB 4.36Å; Y253-V371 HydrophobicContact CE1-CG1 3.9Å; Y253-V371 HydrophobicContact CE1-CG2 3.69Å; L254-V371 HydrophobicContact CD2-CG2 3.66Å; L257-V371 HydrophobicContact CD1-CG2 3.73Å; L367-V371 WeakPolarHBondContact O-CG2 3.35Å; L367-V371 PolarHBondContact O-N 3.13Å; G368-V371 PolarHBondContact O-N 3.42Å; L369-V371 VanDerWaalsContact C-N 3.28Å; L369-V371 PolarHBondContact O-N 2.89Å; V371-L373 PolarHBondContact O-N 3.49Å; V371-S374 PolarHBondContact O-N 3.36Å; V371-S374 PolarHBondContact O-OG 3.3Å
372	T	94.1	Very high	95.6	Very high	63 Å²	63	18.2 Å²	18.2	39%	0.387	11%	0.105	S	C	.	.	H	α-helix	trans	-58.3	-43.7	177.6	-54.9	0	0	0	0	112.2	H203 G368 L369 P375	H203-T372 PolarHBondContact ND1-OG1 2.98Å; G368-T372 PolarHBondContact O-N 2.94Å; G368-T372 PolarHBondContact O-OG1 2.86Å; L369-T372 WeakPolarHBondContact O-CA 3.43Å; L369-T372 WeakPolarHBondContact O-CB 3.28Å; L369-T372 PolarHBondContact O-N 2.9Å; L369-T372 VanDerWaalsContact O-N 3.11Å; T372-P375 VanDerWaalsContact O-CD 3.28Å; T372-P375 WeakPolarHBondContact O-CD 3.44Å
373	L	95	Very high	95.6	Very high	12 Å²	12	21 Å²	21	6%	0.063	12%	0.118	C	C	.	.	H	α-helix	trans	-87.5	-16	-175.7	-61.4	-177.3	0	0	0	114.1	L169 V172 Y201 L369 V370 V371 P375 A376 L505 L509	L169-L373 HydrophobicContact CD1-CB 4.47Å; L169-L373 HydrophobicContact CD1-CD1 3.94Å; V172-L373 HydrophobicContact CG1-CD1 4.16Å; Y201-L373 HydrophobicContact CD1-CD1 4.44Å; L369-L373 HydrophobicContact CD1-CD1 3.83Å; L369-L373 HydrophobicContact CD1-CD2 4.45Å; L369-L373 HydrophobicContact CD1-CG 3.91Å; L369-L373 HydrophobicContact CD2-CD1 4.2Å; L369-L373 HydrophobicContact CG-CD1 3.8Å; L369-L373 HydrophobicContact CG-CG 4.15Å; L369-L373 WeakPolarHBondContact O-CG 3.38Å; L369-L373 PolarHBondContact O-N 3.25Å; V370-L373 PolarHBondContact O-N 3.08Å; V371-L373 PolarHBondContact O-N 3.49Å; L373-P375 VanDerWaalsContact C-N 3.28Å; L373-P375 WeakPolarHBondContact O-CD 3.48Å; L373-P375 VanDerWaalsContact O-N 3.1Å; L373-A376 PolarHBondContact O-N 3.02Å; L373-L505 HydrophobicContact CB-CD1 4.01Å; L373-L505 HydrophobicContact CD1-CD1 4.28Å; L373-L505 HydrophobicContact CD2-CD1 4.13Å; L373-L505 HydrophobicContact CG-CD1 4.35Å; L373-L509 HydrophobicContact CD1-CD2 4.41Å; L373-L509 HydrophobicContact CD2-CD2 3.83Å
374	S	94.9	Very high	95.7	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-49	-33.5	-179.6	66.5	0	0	0	0	116.1	Y253 V370 V371 A376 L377	Y253-S374 PolarHBondContact OH-OG 3.03Å; Y253-S374 VanDerWaalsContact OH-OG 3.04Å; V370-S374 WeakPolarHBondContact O-CB 3.45Å; V370-S374 PolarHBondContact O-N 3.19Å; V371-S374 PolarHBondContact O-N 3.36Å; V371-S374 PolarHBondContact O-OG 3.3Å; S374-A376 PolarHBondContact O-N 2.9Å; S374-L377 PolarHBondContact O-N 3.16Å
375	P	91.8	Very high	95.6	Very high	46 Å²	46	23.9 Å²	23.9	30%	0.299	13%	0.128	S	C	.	.	G	3₁₀ helix	trans	-69.6	-17.6	178.5	-19.1	34.8	0	0	0	114	T372 L373 K409	T372-P375 VanDerWaalsContact O-CD 3.28Å; T372-P375 WeakPolarHBondContact O-CD 3.44Å; L373-P375 VanDerWaalsContact C-N 3.28Å; L373-P375 WeakPolarHBondContact O-CD 3.48Å; L373-P375 VanDerWaalsContact O-N 3.1Å; P375-K409 PolarHBondContact O-NZ 3.21Å
376	A	94.9	Very high	95.5	Very high	9 Å²	9	29.6 Å²	29.6	7%	0.074	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-97.7	7.9	-178.6	0	0	0	0	0	113.7	L373 S374 F504 L505 V508	L373-A376 PolarHBondContact O-N 3.02Å; S374-A376 PolarHBondContact O-N 2.9Å; A376-F504 HydrophobicContact CB-CD1 4.13Å; A376-F504 HydrophobicContact CB-CE1 4.04Å; A376-L505 HydrophobicContact CB-CD1 3.86Å; A376-V508 HydrophobicContact CB-CG2 4.19Å
377	L	96.6	Very high	95.4	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.021	17%	0.17	C	C	.	.	S	Bend	trans	-103.7	-172.8	-179.1	-65.5	177.3	0	0	0	112.4	I161 L169 S374 F381 Q382 L505	I161-L377 WeakPolarHBondContact CG2-O 3.49Å; L169-L377 HydrophobicContact CB-CD1 4.1Å; L169-L377 HydrophobicContact CB-CD2 4.11Å; L169-L377 HydrophobicContact CD2-CD1 3.45Å; L169-L377 VanDerWaalsContact CD2-CD1 3.45Å; L169-L377 HydrophobicContact CG-CD1 4.33Å; S374-L377 PolarHBondContact O-N 3.16Å; L377-F381 HydrophobicContact CB-CB 3.76Å; L377-F381 HydrophobicContact CB-CD2 3.97Å; L377-F381 HydrophobicContact CB-CG 3.85Å; L377-F381 HydrophobicContact CD1-CB 4.33Å; L377-F381 HydrophobicContact CD1-CD1 3.65Å; L377-F381 HydrophobicContact CD1-CD2 4.11Å; L377-F381 HydrophobicContact CD1-CE1 3.94Å; L377-F381 HydrophobicContact CD1-CE2 4.37Å; L377-F381 HydrophobicContact CD1-CG 3.76Å; L377-F381 HydrophobicContact CD1-CZ 4.3Å; L377-F381 HydrophobicContact CG-CG 4.48Å; L377-Q382 PolarHBondContact O-NE2 2.96Å; L377-L505 HydrophobicContact CD2-CB 4.49Å; L377-L505 HydrophobicContact CD2-CD2 4.04Å
378	D	96.8	Very high	95.4	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.021	17%	0.172	C	C	.	.			trans	-60.6	171.7	178.5	71.3	59.1	0	0	0	114.7	G165 Q380 F381 Q382	G165-D378 WeakPolarHBondContact CA-OD2 3.23Å; D378-Q380 PolarHBondContact O-N 2.85Å; D378-Q380 WeakPolarHBondContact OD1-CA 3.46Å; D378-Q380 VanDerWaalsContact OD1-CB 3.23Å; D378-Q380 WeakPolarHBondContact OD1-CB 3.48Å; D378-Q380 PolarHBondContact OD1-N 3.04Å; D378-F381 PolarHBondContact O-N 3.5Å; D378-Q382 PolarHBondContact O-N 3.17Å; D378-Q382 VanDerWaalsContact O-N 3.09Å
379	S	96.4	Very high	95.3	Very high	59 Å²	59	35.9 Å²	35.9	41%	0.413	18%	0.179	S	C	.	.	H	α-helix	trans	-56	-29.8	-177	62.6	0	0	0	0	114	E162 E383	E162-S379 WeakPolarHBondContact OE1-CB 3.27Å; E162-S379 PolarHBondContact OE1-N 3.08Å; E162-S379 VanDerWaalsContact OE2-CB 3.26Å; E162-S379 WeakPolarHBondContact OE2-CB 3.29Å; E162-S379 PolarHBondContact OE2-N 3.02Å; E162-S379 PolarHBondContact OE2-OG 2.88Å; S379-E383 WeakPolarHBondContact O-CB 3.42Å; S379-E383 PolarHBondContact O-N 3.3Å
380	Q	97.5	Very high	95.2	Very high	106 Å²	106	39.4 Å²	39.4	50%	0.495	20%	0.196	S	C	.	.	H	α-helix	trans	-72.3	-39.8	-178.6	-55.5	177.7	89.3	0	0	111.3	L260 D378 A384	L260-Q380 HydrophobicContact CD1-CB 4.03Å; L260-Q380 HydrophobicContact CD2-CB 3.77Å; L260-Q380 HydrophobicContact CD2-CG 4.41Å; D378-Q380 PolarHBondContact O-N 2.85Å; D378-Q380 WeakPolarHBondContact OD1-CA 3.46Å; D378-Q380 VanDerWaalsContact OD1-CB 3.23Å; D378-Q380 WeakPolarHBondContact OD1-CB 3.48Å; D378-Q380 PolarHBondContact OD1-N 3.04Å; Q380-A384 WeakPolarHBondContact O-CB 3.39Å; Q380-A384 PolarHBondContact O-N 3.44Å
381	F	97.6	Very high	95.1	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-69.1	-44.9	173.6	-73.1	-93.9	0	0	0	111.5	T166 L169 L257 L260 L261 L377 D378 E383 A384 R385	T166-F381 HydrophobicContact CG2-CE2 3.75Å; T166-F381 HydrophobicContact CG2-CZ 3.89Å; L169-F381 HydrophobicContact CD2-CE1 4.31Å; L257-F381 HydrophobicContact CD2-CD1 3.46Å; L257-F381 VanDerWaalsContact CD2-CD1 3.46Å; L257-F381 HydrophobicContact CD2-CE1 3.83Å; L260-F381 HydrophobicContact CB-CE1 4.19Å; L260-F381 HydrophobicContact CB-CE2 3.99Å; L260-F381 HydrophobicContact CB-CZ 3.63Å; L260-F381 HydrophobicContact CD1-CD1 4.32Å; L260-F381 HydrophobicContact CD1-CD2 4.19Å; L260-F381 HydrophobicContact CD1-CE1 4.31Å; L260-F381 HydrophobicContact CD1-CE2 4.17Å; L260-F381 HydrophobicContact CD1-CG 4.26Å; L260-F381 HydrophobicContact CD1-CZ 4.22Å; L261-F381 HydrophobicContact CD2-CZ 4.15Å; L261-F381 HydrophobicContact CG-CE1 4.36Å; L261-F381 HydrophobicContact CG-CZ 4.17Å; L377-F381 HydrophobicContact CB-CB 3.76Å; L377-F381 HydrophobicContact CB-CD2 3.97Å; L377-F381 HydrophobicContact CB-CG 3.85Å; L377-F381 HydrophobicContact CD1-CB 4.33Å; L377-F381 HydrophobicContact CD1-CD1 3.65Å; L377-F381 HydrophobicContact CD1-CD2 4.11Å; L377-F381 HydrophobicContact CD1-CE1 3.94Å; L377-F381 HydrophobicContact CD1-CE2 4.37Å; L377-F381 HydrophobicContact CD1-CG 3.76Å; L377-F381 HydrophobicContact CD1-CZ 4.3Å; L377-F381 HydrophobicContact CG-CG 4.48Å; D378-F381 PolarHBondContact O-N 3.5Å; F381-E383 VanDerWaalsContact C-N 3.33Å; F381-E383 PolarHBondContact O-N 3.31Å; F381-A384 PolarHBondContact O-N 3.42Å; F381-R385 PolarHBondContact O-N 3.42Å
382	Q	94.8	Very high	94.9	Very high	49 Å²	49	44.2 Å²	44.2	23%	0.229	22%	0.217	C	C	.	.	H	α-helix	trans	-59.8	-42.6	176.2	-69.4	176.1	65.2	0	0	111.5	L377 D378 R385 R386	L377-Q382 PolarHBondContact O-NE2 2.96Å; D378-Q382 PolarHBondContact O-N 3.17Å; D378-Q382 VanDerWaalsContact O-N 3.09Å; Q382-R385 PolarHBondContact O-N 2.74Å; Q382-R386 WeakPolarHBondContact O-CB 3.29Å; Q382-R386 PolarHBondContact O-N 3.09Å
383	E	95	Very high	94.7	Very high	64 Å²	64	44.4 Å²	44.4	30%	0.299	21%	0.211	S	C	.	.	H	α-helix	trans	-68.4	-39.9	177.7	176.7	58	-165	0	0	112.4	S379 F381 R385 R386 K387	S379-E383 WeakPolarHBondContact O-CB 3.42Å; S379-E383 PolarHBondContact O-N 3.3Å; F381-E383 VanDerWaalsContact C-N 3.33Å; F381-E383 PolarHBondContact O-N 3.31Å; E383-R385 VanDerWaalsContact C-N 3.33Å; E383-R385 PolarHBondContact O-N 3.33Å; E383-R386 PolarHBondContact O-N 3.12Å; E383-R386 IonicContact OE1-CZ 3.6Å; E383-R386 IonicContact OE1-NE 3.67Å; E383-R386 IonicContact OE1-NH2 2.72Å; E383-R386 PolarHBondContact OE1-NH2 3.34Å; E383-R386 IonicContact OE2-CZ 3.44Å; E383-R386 IonicContact OE2-NE 2.71Å; E383-R386 PolarHBondContact OE2-NE 3.2Å; E383-R386 IonicContact OE2-NH2 3.31Å; E383-R386 PolarHBondContact OE2-NH2 3.45Å; E383-K387 HydrophobicContact CG-CD 4.47Å; E383-K387 WeakPolarHBondContact O-CG 3.29Å; E383-K387 PolarHBondContact O-N 3.08Å; E383-K387 WeakPolarHBondContact OE1-CE 3.31Å; E383-K387 WeakPolarHBondContact OE1-CG 3.34Å
384	A	96.8	Very high	94.6	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.008	23%	0.229	C	C	.	.	H	α-helix	trans	-56.9	-47.3	172.9	0	0	0	0	0	111.1	Y253 Q256 Q380 F381 R386 K387 L388	Y253-A384 HydrophobicContact CD2-CB 3.92Å; Y253-A384 WeakPolarHBondContact CD2-O 3.33Å; Y253-A384 VanDerWaalsContact CE2-C 3.46Å; Y253-A384 HydrophobicContact CE2-CB 3.78Å; Q256-A384 HydrophobicContact CG-CB 4.29Å; Q380-A384 WeakPolarHBondContact O-CB 3.39Å; Q380-A384 PolarHBondContact O-N 3.44Å; F381-A384 PolarHBondContact O-N 3.42Å; A384-R386 VanDerWaalsContact C-N 3.35Å; A384-R386 PolarHBondContact O-N 2.68Å; A384-K387 PolarHBondContact O-N 2.94Å; A384-L388 PolarHBondContact O-N 3.18Å; A384-L388 VanDerWaalsContact O-N 3.16Å
385	R	95.1	Very high	94.4	Very high	72 Å²	72	50 Å²	50	27%	0.272	24%	0.237	S	C	.	.	H	α-helix	trans	-66.3	-36.4	177.8	-176.5	63.2	177.9	-169.4	-4	111.7	Y253 F381 Q382 E383 S389	Y253-R385 HydrophobicContact CE2-CB 4.15Å; Y253-R385 WeakPolarHBondContact OH-CD 3.48Å; F381-R385 PolarHBondContact O-N 3.42Å; Q382-R385 PolarHBondContact O-N 2.74Å; E383-R385 VanDerWaalsContact C-N 3.33Å; E383-R385 PolarHBondContact O-N 3.33Å; R385-S389 WeakPolarHBondContact O-CB 2.99Å; R385-S389 PolarHBondContact O-N 3.45Å; R385-S389 PolarHBondContact O-OG 2.92Å
386	R	93.1	Very high	94.1	Very high	121 Å²	121	49.7 Å²	49.7	46%	0.457	24%	0.235	S	C	.	.	H	α-helix	trans	-63.4	-46.9	175.8	-166.4	-165.3	67.2	71.9	4	111.6	Q382 E383 A384 S389 Q390	Q382-R386 WeakPolarHBondContact O-CB 3.29Å; Q382-R386 PolarHBondContact O-N 3.09Å; E383-R386 PolarHBondContact O-N 3.12Å; E383-R386 IonicContact OE1-CZ 3.6Å; E383-R386 IonicContact OE1-NE 3.67Å; E383-R386 IonicContact OE1-NH2 2.72Å; E383-R386 PolarHBondContact OE1-NH2 3.34Å; E383-R386 IonicContact OE2-CZ 3.44Å; E383-R386 IonicContact OE2-NE 2.71Å; E383-R386 PolarHBondContact OE2-NE 3.2Å; E383-R386 IonicContact OE2-NH2 3.31Å; E383-R386 PolarHBondContact OE2-NH2 3.45Å; A384-R386 VanDerWaalsContact C-N 3.35Å; A384-R386 PolarHBondContact O-N 2.68Å; R386-S389 PolarHBondContact O-N 3.3Å; R386-Q390 WeakPolarHBondContact O-CB 3.4Å; R386-Q390 PolarHBondContact O-N 2.93Å
387	K	94.6	Very high	93.6	Very high	100 Å²	100	58.1 Å²	58.1	44%	0.435	27%	0.273	S	S	.	.	H	α-helix	trans	-58.4	-48.9	177.2	-73.5	177.7	-176.5	178.9	0	111.8	E383 A384 Q390 K391	E383-K387 HydrophobicContact CG-CD 4.47Å; E383-K387 WeakPolarHBondContact O-CG 3.29Å; E383-K387 PolarHBondContact O-N 3.08Å; E383-K387 WeakPolarHBondContact OE1-CE 3.31Å; E383-K387 WeakPolarHBondContact OE1-CG 3.34Å; A384-K387 PolarHBondContact O-N 2.94Å; K387-Q390 PolarHBondContact O-N 2.82Å; K387-K391 PolarHBondContact O-N 3.38Å
388	L	95.2	Very high	92.8	Very high	5 Å²	5	62.1 Å²	62.1	3%	0.026	29%	0.291	C	S	.	.	H	α-helix	trans	-58.2	-50.8	175	178.2	68.8	0	0	0	111	E249 Y250 Y253 A384 Q390 K391 L392	E249-L388 HydrophobicContact CB-CD1 4.31Å; Y250-L388 HydrophobicContact CD2-CD1 4.42Å; Y250-L388 HydrophobicContact CD2-CD2 3.77Å; Y250-L388 HydrophobicContact CE2-CD2 4.22Å; Y253-L388 HydrophobicContact CD1-CD2 3.53Å; Y253-L388 HydrophobicContact CD2-CB 4.14Å; Y253-L388 HydrophobicContact CD2-CD2 4.35Å; Y253-L388 HydrophobicContact CE1-CD2 3.89Å; Y253-L388 HydrophobicContact CG-CB 4.12Å; Y253-L388 HydrophobicContact CG-CD2 3.74Å; Y253-L388 HydrophobicContact CG-CG 4.39Å; A384-L388 PolarHBondContact O-N 3.18Å; A384-L388 VanDerWaalsContact O-N 3.16Å; L388-Q390 PolarHBondContact O-N 3.31Å; L388-K391 PolarHBondContact O-N 2.8Å; L388-K391 VanDerWaalsContact O-N 3.08Å; L388-L392 HydrophobicContact CD1-CD1 3.91Å; L388-L392 HydrophobicContact CD1-CD2 4.21Å; L388-L392 HydrophobicContact CD1-CG 3.89Å; L388-L392 HydrophobicContact CD2-CD1 4.17Å; L388-L392 HydrophobicContact CG-CD1 3.7Å; L388-L392 HydrophobicContact CG-CG 4.09Å; L388-L392 WeakPolarHBondContact O-CG 3.18Å; L388-L392 PolarHBondContact O-N 2.99Å
389	S	93.2	Very high	91.9	Very high	37 Å²	37	64.7 Å²	64.7	26%	0.259	31%	0.308	S	S	.	.	H	α-helix	trans	-59.4	-35	-177.8	-57.4	0	0	0	0	112.7	R385 R386 R393	R385-S389 WeakPolarHBondContact O-CB 2.99Å; R385-S389 PolarHBondContact O-N 3.45Å; R385-S389 PolarHBondContact O-OG 2.92Å; R386-S389 PolarHBondContact O-N 3.3Å; S389-R393 WeakPolarHBondContact O-CD 3.48Å; S389-R393 WeakPolarHBondContact O-CG 3.47Å; S389-R393 PolarHBondContact O-N 3.17Å
390	Q	93.1	Very high	91.1	Very high	74 Å²	74	67 Å²	67	35%	0.346	32%	0.322	S	S	.	.	H	α-helix	trans	-68.2	-49.4	173.6	-175.4	-177.5	-27.4	0	0	111.1	R386 K387 L388 L392 R393 E394	R386-Q390 WeakPolarHBondContact O-CB 3.4Å; R386-Q390 PolarHBondContact O-N 2.93Å; K387-Q390 PolarHBondContact O-N 2.82Å; L388-Q390 PolarHBondContact O-N 3.31Å; Q390-L392 PolarHBondContact O-N 3.08Å; Q390-R393 PolarHBondContact O-N 3.39Å; Q390-E394 WeakPolarHBondContact CG-OE1 3.41Å; Q390-E394 PolarHBondContact NE2-OE1 2.79Å; Q390-E394 WeakPolarHBondContact O-CG 3.27Å; Q390-E394 PolarHBondContact O-N 3.21Å
391	K	94.7	Very high	90.1	Very high	89 Å²	89	66 Å²	66	39%	0.387	32%	0.318	S	S	.	.	H	α-helix	trans	-62.4	-41.4	-179.8	-76.9	-73.8	160.7	-151.9	0	113.3	E249 K387 L388 R393 E394 L395	E249-K391 HydrophobicContact CB-CB 4.49Å; E249-K391 HydrophobicContact CG-CB 4.29Å; K387-K391 PolarHBondContact O-N 3.38Å; L388-K391 PolarHBondContact O-N 2.8Å; L388-K391 VanDerWaalsContact O-N 3.08Å; K391-R393 VanDerWaalsContact C-N 3.26Å; K391-R393 PolarHBondContact O-N 3.45Å; K391-E394 WeakPolarHBondContact CE-OE2 3.4Å; K391-E394 IonicContact NZ-OE2 3.43Å; K391-E394 PolarHBondContact NZ-OE2 2.81Å; K391-E394 PolarHBondContact O-N 3.49Å; K391-L395 WeakPolarHBondContact O-CB 3.32Å; K391-L395 VanDerWaalsContact O-CG 3.31Å; K391-L395 WeakPolarHBondContact O-CG 3.39Å; K391-L395 PolarHBondContact O-N 3.44Å
392	L	92.8	Very high	89.1	Confident	13 Å²	13	70.2 Å²	70.2	7%	0.068	35%	0.346	C	S	.	.	H	α-helix	trans	-63.1	-33.9	176.8	-65.6	175.4	0	0	0	112.1	V232 P233 I246 L388 Q390 T396	V232-L392 HydrophobicContact CG1-CD1 3.99Å; V232-L392 HydrophobicContact CG1-CD2 4.08Å; P233-L392 HydrophobicContact CG-CB 4.41Å; I246-L392 HydrophobicContact CB-CD2 4.25Å; I246-L392 HydrophobicContact CG1-CD2 4.01Å; I246-L392 HydrophobicContact CG2-CD2 3.8Å; L388-L392 HydrophobicContact CD1-CD1 3.91Å; L388-L392 HydrophobicContact CD1-CD2 4.21Å; L388-L392 HydrophobicContact CD1-CG 3.89Å; L388-L392 HydrophobicContact CD2-CD1 4.17Å; L388-L392 HydrophobicContact CG-CD1 3.7Å; L388-L392 HydrophobicContact CG-CG 4.09Å; L388-L392 WeakPolarHBondContact O-CG 3.18Å; L388-L392 PolarHBondContact O-N 2.99Å; Q390-L392 PolarHBondContact O-N 3.08Å; L392-T396 WeakPolarHBondContact O-CB 3.33Å; L392-T396 WeakPolarHBondContact O-CG2 3.48Å; L392-T396 PolarHBondContact O-N 2.97Å; L392-T396 VanDerWaalsContact O-N 3.12Å; L392-T396 PolarHBondContact O-OG1 3.15Å
393	R	89.9	Confident	88.4	Confident	68 Å²	68	73 Å²	73	26%	0.257	38%	0.376	S	S	.	.	H	α-helix	trans	-71.8	-43.9	175	-73.8	173.5	171.5	-77.9	-14.3	112.2	S389 Q390 K391 L395 T396 E397 Q398 P399 M401	S389-R393 WeakPolarHBondContact O-CD 3.48Å; S389-R393 WeakPolarHBondContact O-CG 3.47Å; S389-R393 PolarHBondContact O-N 3.17Å; Q390-R393 PolarHBondContact O-N 3.39Å; K391-R393 VanDerWaalsContact C-N 3.26Å; K391-R393 PolarHBondContact O-N 3.45Å; R393-L395 VanDerWaalsContact C-N 3.27Å; R393-L395 PolarHBondContact O-N 3.02Å; R393-T396 CarbonylContact O-C 3.5Å; R393-T396 PolarHBondContact O-N 2.88Å; R393-E397 PolarHBondContact O-N 3.11Å; R393-E397 VanDerWaalsContact O-N 3.12Å; R393-Q398 HydrophobicContact CB-CB 3.97Å; R393-Q398 HydrophobicContact CG-CB 3.95Å; R393-Q398 VanDerWaalsContact NH1-OE1 3.08Å; R393-Q398 PolarHBondContact O-N 2.98Å; R393-P399 PolarHBondContact NH1-O 2.97Å; R393-M401 PolarHBondContact NE-SD 3.36Å
394	E	91.4	Very high	87.9	Confident	93 Å²	93	76 Å²	76	44%	0.435	39%	0.385	S	S	.	.	H	α-helix	trans	-56.4	-41.5	172.3	-69.4	169.4	-166.1	0	0	111.6	Q390 K391	Q390-E394 WeakPolarHBondContact CG-OE1 3.41Å; Q390-E394 PolarHBondContact NE2-OE1 2.79Å; Q390-E394 WeakPolarHBondContact O-CG 3.27Å; Q390-E394 PolarHBondContact O-N 3.21Å; K391-E394 WeakPolarHBondContact CE-OE2 3.4Å; K391-E394 IonicContact NZ-OE2 3.43Å; K391-E394 PolarHBondContact NZ-OE2 2.81Å; K391-E394 PolarHBondContact O-N 3.49Å
395	L	91.2	Very high	87.8	Confident	35 Å²	35	78.9 Å²	78.9	18%	0.183	40%	0.404	C	S	.	.	H	α-helix	trans	-74.4	-19.8	178.4	-70.4	175.1	0	0	0	115	I242 Q245 I246 E249 K391 R393	I242-L395 WeakPolarHBondContact CG2-O 3.41Å; Q245-L395 HydrophobicContact CB-CD1 3.99Å; Q245-L395 HydrophobicContact CB-CD2 3.86Å; Q245-L395 VanDerWaalsContact OE1-CD2 3.29Å; I246-L395 HydrophobicContact CG1-CB 4.31Å; I246-L395 HydrophobicContact CG1-CD1 3.87Å; E249-L395 HydrophobicContact CG-CD1 3.93Å; K391-L395 WeakPolarHBondContact O-CB 3.32Å; K391-L395 VanDerWaalsContact O-CG 3.31Å; K391-L395 WeakPolarHBondContact O-CG 3.39Å; K391-L395 PolarHBondContact O-N 3.44Å; R393-L395 VanDerWaalsContact C-N 3.27Å; R393-L395 PolarHBondContact O-N 3.02Å
396	T	85.1	Confident	87.8	Confident	41 Å²	41	78.1 Å²	78.1	25%	0.252	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	16.1	-179.6	53.6	0	0	0	0	112.6	P233 I246 L392 R393 Q398	P233-T396 HydrophobicContact CG-CG2 4Å; I246-T396 HydrophobicContact CD1-CG2 4.11Å; L392-T396 WeakPolarHBondContact O-CB 3.33Å; L392-T396 WeakPolarHBondContact O-CG2 3.48Å; L392-T396 PolarHBondContact O-N 2.97Å; L392-T396 VanDerWaalsContact O-N 3.12Å; L392-T396 PolarHBondContact O-OG1 3.15Å; R393-T396 CarbonylContact O-C 3.5Å; R393-T396 PolarHBondContact O-N 2.88Å; T396-Q398 PolarHBondContact O-N 3.28Å
397	E	85.4	Confident	88	Confident	185 Å²	185	73.8 Å²	73.8	86%	0.864	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	20.6	-177.9	-53.6	-167.1	157.5	0	0	114.5	R393	R393-E397 PolarHBondContact O-N 3.11Å; R393-E397 VanDerWaalsContact O-N 3.12Å
398	Q	79.4	Confident	88	Confident	89 Å²	89	69.9 Å²	69.9	42%	0.416	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-79.9	148.3	177	-69.2	-168.4	6.2	0	0	111.2	R393 T396	R393-Q398 HydrophobicContact CB-CB 3.97Å; R393-Q398 HydrophobicContact CG-CB 3.95Å; R393-Q398 VanDerWaalsContact NH1-OE1 3.08Å; R393-Q398 PolarHBondContact O-N 2.98Å; T396-Q398 PolarHBondContact O-N 3.28Å
399	P	78.4	Confident	88	Confident	58 Å²	58	72 Å²	72	38%	0.377	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-61.2	148.5	176.7	27.8	-36.6	0	0	0	111.1	R393 P687	R393-P399 PolarHBondContact NH1-O 2.97Å; P399-P687 HydrophobicContact CB-CG 4.2Å; P399-P687 HydrophobicContact CG-CG 3.6Å
400	P	79.9	Confident	88.2	Confident	106 Å²	106	70.2 Å²	70.2	69%	0.688	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-54	144.5	173.5	-24.9	33.9	0	0	0	111.7
401	M	75.7	Confident	88.5	Confident	86 Å²	86	66.8 Å²	66.8	42%	0.424	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-62.2	127.9	173.3	-79	-59.3	-68.7	0	0	110	R393 A403	R393-M401 PolarHBondContact NE-SD 3.36Å; M401-A403 PolarHBondContact O-N 3.01Å
402	P	77.1	Confident	88.5	Confident	89 Å²	89	65.3 Å²	65.3	58%	0.578	34%	0.344	S	S	*	.	P	Polyproline II helix	trans	-63.4	137.3	171.1	26.9	-33.3	0	0	0	109.4	R404	P402-R404 PolarHBondContact O-N 3.41Å
403	A	80.2	Confident	88.7	Confident	106 Å²	106	66.7 Å²	66.7	88%	0.876	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-60.7	120.1	172.4	0	0	0	0	0	109.3	M401	M401-A403 PolarHBondContact O-N 3.01Å
404	R	84.3	Confident	89.1	Confident	128 Å²	128	63.5 Å²	63.5	48%	0.483	34%	0.337	S	S	.	.			trans	-108.6	132.1	177	-72.3	-167.3	-82.6	160.5	-3.5	109.9	P402 M408 E412	P402-R404 PolarHBondContact O-N 3.41Å; R404-M408 HydrophobicContact CG-SD 4.26Å; R404-E412 IonicContact CZ-OE2 3.6Å; R404-E412 VanDerWaalsContact NH1-CD 3.31Å; R404-E412 IonicContact NH1-OE1 3.53Å; R404-E412 PolarHBondContact NH1-OE1 3.27Å; R404-E412 IonicContact NH1-OE2 2.72Å; R404-E412 PolarHBondContact NH1-OE2 3.02Å
405	P	94	Very high	89.3	Confident	62 Å²	62	59.2 Å²	59.2	40%	0.403	32%	0.319	S	S	.	.			trans	-68.6	148.4	177.8	30.2	-35.8	0	0	0	110.7	W407 M408	P405-W407 VanDerWaalsContact C-N 3.28Å; P405-W407 HydrophobicContact CG-CD2 4.45Å; P405-W407 HydrophobicContact CG-CG 4.47Å; P405-W407 HydrophobicContact CG-CZ2 4.16Å; P405-W407 PolarHBondContact O-N 3.03Å; P405-M408 HydrophobicContact CG-CB 4.25Å; P405-M408 WeakPolarHBondContact O-CB 3.32Å; P405-M408 PolarHBondContact O-N 2.8Å
406	R	94.6	Very high	89.4	Confident	56 Å²	56	61.3 Å²	61.3	21%	0.211	33%	0.333	C	S	.	.	H	α-helix	trans	-52.9	-42.1	-173.4	-172.2	174	-173	86.4	6.3	113.6	C155 M156 T158 M408 K409 C410	C155-R406 PolarHBondContact O-NE 2.85Å; C155-R406 PolarHBondContact O-NH2 2.98Å; M156-R406 HydrophobicContact SD-CG 4.26Å; T158-R406 VanDerWaalsContact CG2-CD 3.48Å; R406-M408 PolarHBondContact O-N 2.74Å; R406-M408 VanDerWaalsContact O-N 3.11Å; R406-K409 WeakPolarHBondContact O-CB 3.36Å; R406-K409 PolarHBondContact O-N 2.85Å; R406-K409 VanDerWaalsContact O-N 3.1Å; R406-C410 PolarHBondContact O-N 3.02Å; R406-C410 PolarHBondContact O-SG 2.96Å
407	W	97	Very high	89.9	Confident	29 Å²	29	60.1 Å²	60.1	11%	0.11	32%	0.324	C	S	.	.	H	α-helix	trans	-53.7	-34	177.8	73.2	-106.3	0	0	0	112.9	K126 N127 R130 Y152 M156 P405 C410 V411	K126-W407 HydrophobicContact CB-CH2 4.23Å; K126-W407 HydrophobicContact CB-CZ3 3.98Å; N127-W407 VanDerWaalsContact OD1-CH2 3.29Å; N127-W407 WeakPolarHBondContact OD1-CH2 3.1Å; N127-W407 WeakPolarHBondContact OD1-CZ2 3.41Å; R130-W407 HydrophobicContact CB-CE3 3.84Å; R130-W407 HydrophobicContact CB-CZ3 4.04Å; R130-W407 HydrophobicContact CG-CB 4.41Å; R130-W407 HydrophobicContact CG-CD2 4.16Å; R130-W407 HydrophobicContact CG-CE3 3.77Å; R130-W407 HydrophobicContact CG-CG 4.45Å; R130-W407 HydrophobicContact CG-CZ3 4.42Å; Y152-W407 WeakPolarHBondContact OH-CB 3.06Å; M156-W407 HydrophobicContact CE-CB 4.01Å; M156-W407 WeakPolarHBondContact SD-CA 3.28Å; M156-W407 HydrophobicContact SD-CB 3.9Å; P405-W407 VanDerWaalsContact C-N 3.28Å; P405-W407 HydrophobicContact CG-CD2 4.45Å; P405-W407 HydrophobicContact CG-CG 4.47Å; P405-W407 HydrophobicContact CG-CZ2 4.16Å; P405-W407 PolarHBondContact O-N 3.03Å; W407-C410 PolarHBondContact O-N 3.39Å; W407-V411 HydrophobicContact CE3-CG2 4.01Å; W407-V411 HydrophobicContact CZ3-CG2 4.38Å; W407-V411 WeakPolarHBondContact O-CG2 3.27Å; W407-V411 PolarHBondContact O-N 2.7Å
408	M	96.3	Very high	90.3	Very high	19 Å²	19	51.3 Å²	51.3	9%	0.094	28%	0.283	C	S	.	.	H	α-helix	trans	-70.6	-39.7	-177.7	-172.3	174.7	-72	0	0	111.3	T123 K126 R404 P405 R406 E412	T123-M408 HydrophobicContact CG2-CE 4.23Å; K126-M408 HydrophobicContact CD-CG 3.96Å; K126-M408 HydrophobicContact CD-SD 4.23Å; R404-M408 HydrophobicContact CG-SD 4.26Å; P405-M408 HydrophobicContact CG-CB 4.25Å; P405-M408 WeakPolarHBondContact O-CB 3.32Å; P405-M408 PolarHBondContact O-N 2.8Å; R406-M408 PolarHBondContact O-N 2.74Å; R406-M408 VanDerWaalsContact O-N 3.11Å; M408-E412 WeakPolarHBondContact O-CB 3.39Å; M408-E412 VanDerWaalsContact O-CG 3.26Å; M408-E412 WeakPolarHBondContact O-CG 3.35Å; M408-E412 PolarHBondContact O-N 3.44Å
409	K	94.6	Very high	90.9	Very high	48 Å²	48	49.9 Å²	49.9	21%	0.209	28%	0.276	C	S	.	.	H	α-helix	trans	-62.9	-46.4	170.6	176	-173.5	170.4	-170.9	0	110.6	P375 R406 V411 E412 E413	P375-K409 PolarHBondContact O-NZ 3.21Å; R406-K409 WeakPolarHBondContact O-CB 3.36Å; R406-K409 PolarHBondContact O-N 2.85Å; R406-K409 VanDerWaalsContact O-N 3.1Å; K409-V411 VanDerWaalsContact C-N 3.33Å; K409-V411 PolarHBondContact O-N 3.24Å; K409-E412 PolarHBondContact O-N 3Å; K409-E412 VanDerWaalsContact O-N 3.12Å; K409-E413 WeakPolarHBondContact CE-OE1 3.4Å; K409-E413 WeakPolarHBondContact CG-OE1 3.46Å; K409-E413 IonicContact NZ-OE1 3.33Å; K409-E413 PolarHBondContact O-N 3.47Å
410	C	97.8	Very high	91.4	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-63.5	-37	179.8	-61.7	0	0	0	0	112.5	Y152 C155 M156 R406 W407 T414	Y152-C410 HydrophobicContact CD2-CB 3.66Å; Y152-C410 HydrophobicContact CE2-CB 3.6Å; C155-C410 HydrophobicContact CB-CB 3.65Å; C155-C410 WeakPolarHBondContact CB-SG 3.45Å; C155-C410 WeakPolarHBondContact SG-CA 3.47Å; C155-C410 WeakPolarHBondContact SG-CB 3.49Å; C155-C410 CovalentContact SG-SG 2.04Å; C155-C410 PolarHBondContact SG-SG 3.32Å; M156-C410 HydrophobicContact CG-CB 4.22Å; M156-C410 HydrophobicContact SD-CB 4.2Å; R406-C410 PolarHBondContact O-N 3.02Å; R406-C410 PolarHBondContact O-SG 2.96Å; W407-C410 PolarHBondContact O-N 3.39Å; C410-T414 VanDerWaalsContact O-CB 3.3Å; C410-T414 WeakPolarHBondContact O-CB 3.47Å; C410-T414 PolarHBondContact O-N 2.93Å; C410-T414 PolarHBondContact O-OG1 3.28Å
411	V	98.1	Very high	92	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.018	23%	0.233	C	C	.	.	H	α-helix	trans	-64.3	-43.7	170.6	167.8	0	0	0	0	111.6	K126 L129 R130 L133 Y152 W407 K409 G415	K126-V411 HydrophobicContact CB-CG1 4.48Å; L129-V411 HydrophobicContact CB-CG1 3.66Å; L129-V411 HydrophobicContact CD1-CG1 3.84Å; L129-V411 HydrophobicContact CG-CG1 4.43Å; R130-V411 HydrophobicContact CB-CG2 3.9Å; R130-V411 HydrophobicContact CG-CG2 4.41Å; L133-V411 HydrophobicContact CD1-CG2 4.31Å; Y152-V411 HydrophobicContact CD2-CG2 4.49Å; Y152-V411 HydrophobicContact CE2-CG2 3.9Å; W407-V411 HydrophobicContact CE3-CG2 4.01Å; W407-V411 HydrophobicContact CZ3-CG2 4.38Å; W407-V411 WeakPolarHBondContact O-CG2 3.27Å; W407-V411 PolarHBondContact O-N 2.7Å; K409-V411 VanDerWaalsContact C-N 3.33Å; K409-V411 PolarHBondContact O-N 3.24Å; V411-G415 PolarHBondContact O-N 2.87Å
412	E	96	Very high	92.9	Very high	58 Å²	58	39.1 Å²	39.1	27%	0.271	21%	0.213	S	C	.	.	H	α-helix	trans	-62.6	-44.2	178.1	-74.1	167	-168.1	0	0	111.9	K126 R404 M408 K409 G415 T416	K126-E412 IonicContact NZ-OE1 3.37Å; K126-E412 PolarHBondContact NZ-OE1 3.31Å; R404-E412 IonicContact CZ-OE2 3.6Å; R404-E412 VanDerWaalsContact NH1-CD 3.31Å; R404-E412 IonicContact NH1-OE1 3.53Å; R404-E412 PolarHBondContact NH1-OE1 3.27Å; R404-E412 IonicContact NH1-OE2 2.72Å; R404-E412 PolarHBondContact NH1-OE2 3.02Å; M408-E412 WeakPolarHBondContact O-CB 3.39Å; M408-E412 VanDerWaalsContact O-CG 3.26Å; M408-E412 WeakPolarHBondContact O-CG 3.35Å; M408-E412 PolarHBondContact O-N 3.44Å; K409-E412 PolarHBondContact O-N 3Å; K409-E412 VanDerWaalsContact O-N 3.12Å; E412-G415 PolarHBondContact O-N 2.72Å; E412-T416 PolarHBondContact O-N 2.82Å; E412-T416 PolarHBondContact O-OG1 2.88Å
413	E	96.2	Very high	93.6	Very high	42 Å²	42	34.9 Å²	34.9	20%	0.196	19%	0.185	C	C	.	.	H	α-helix	trans	-72.1	-41.7	178.7	-71.2	-179.3	-158	0	0	112.2	F151 K409 G415 T416 F417 F504	F151-E413 HydrophobicContact CE1-CB 4.1Å; F151-E413 HydrophobicContact CZ-CB 4.44Å; K409-E413 WeakPolarHBondContact CE-OE1 3.4Å; K409-E413 WeakPolarHBondContact CG-OE1 3.46Å; K409-E413 IonicContact NZ-OE1 3.33Å; K409-E413 PolarHBondContact O-N 3.47Å; E413-G415 VanDerWaalsContact C-N 3.29Å; E413-G415 PolarHBondContact O-N 3.18Å; E413-T416 WeakPolarHBondContact O-CB 3.39Å; E413-T416 PolarHBondContact O-N 3.42Å; E413-T416 VanDerWaalsContact O-N 3.12Å; E413-F417 HydrophobicContact CB-CE2 4.44Å; E413-F417 WeakPolarHBondContact O-CD2 3.44Å; E413-F417 PolarHBondContact O-N 3.05Å; E413-F417 VanDerWaalsContact O-N 3.09Å; E413-F504 WeakPolarHBondContact OE2-CZ 3.48Å
414	T	97.5	Very high	94.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-62.4	-40.7	173.2	-46.2	0	0	0	0	110.4	L133 A148 F151 C410 T416 F417 F418 L422	L133-T414 HydrophobicContact CD1-CG2 4.11Å; L133-T414 HydrophobicContact CD2-CG2 4.08Å; A148-T414 HydrophobicContact CB-CG2 3.92Å; A148-T414 WeakPolarHBondContact O-CG2 3.19Å; F151-T414 HydrophobicContact CD1-CG2 4.17Å; F151-T414 WeakPolarHBondContact CD1-OG1 3.34Å; C410-T414 VanDerWaalsContact O-CB 3.3Å; C410-T414 WeakPolarHBondContact O-CB 3.47Å; C410-T414 PolarHBondContact O-N 2.93Å; C410-T414 PolarHBondContact O-OG1 3.28Å; T414-T416 VanDerWaalsContact C-N 3.29Å; T414-T416 PolarHBondContact O-N 3.05Å; T414-F417 PolarHBondContact O-N 2.79Å; T414-F418 HydrophobicContact CG2-CD2 3.82Å; T414-F418 HydrophobicContact CG2-CG 4.49Å; T414-F418 WeakPolarHBondContact O-CB 3.38Å; T414-F418 PolarHBondContact O-N 3.44Å; T414-L422 HydrophobicContact CG2-CD1 3.93Å
415	G	95.6	Very high	94.6	Very high	4 Å²	4	24.6 Å²	24.6	4%	0.041	13%	0.127	C	C	.	.	H	α-helix	trans	-56	-41.2	172	0	0	0	0	0	112.9	V411 E412 E413 E419	V411-G415 PolarHBondContact O-N 2.87Å; E412-G415 PolarHBondContact O-N 2.72Å; E413-G415 VanDerWaalsContact C-N 3.29Å; E413-G415 PolarHBondContact O-N 3.18Å; G415-E419 VanDerWaalsContact O-CA 3.23Å; G415-E419 WeakPolarHBondContact O-CA 3.09Å; G415-E419 VanDerWaalsContact O-CB 3.24Å; G415-E419 WeakPolarHBondContact O-CB 3.14Å; G415-E419 PolarHBondContact O-N 2.85Å; G415-E419 VanDerWaalsContact O-N 3.13Å
416	T	94.1	Very high	94.6	Very high	79 Å²	79	21.6 Å²	21.6	49%	0.485	11%	0.108	S	C	.	.	H	α-helix	trans	-67.2	-40.8	178.7	-56.8	0	0	0	0	112.4	E412 E413 T414 L515	E412-T416 PolarHBondContact O-N 2.82Å; E412-T416 PolarHBondContact O-OG1 2.88Å; E413-T416 WeakPolarHBondContact O-CB 3.39Å; E413-T416 PolarHBondContact O-N 3.42Å; E413-T416 VanDerWaalsContact O-N 3.12Å; T414-T416 VanDerWaalsContact C-N 3.29Å; T414-T416 PolarHBondContact O-N 3.05Å; T416-L515 HydrophobicContact CG2-CD2 4.01Å
417	F	94.8	Very high	94.5	Very high	15 Å²	15	19.3 Å²	19.3	7%	0.066	10%	0.1	C	C	.	.	H	α-helix	trans	-90.6	-23	-174.8	-62	-52.7	0	0	0	114.8	F151 E413 T414 V508 C511 V512 L515 R518	F151-F417 AromaticContact CE1-CD2 3.85Å; F151-F417 HydrophobicContact CE1-CD2 3.85Å; F151-F417 HydrophobicContact CE1-CE2 4.3Å; F151-F417 AromaticContact CE2-CD2 3.93Å; F151-F417 HydrophobicContact CE2-CD2 3.93Å; F151-F417 HydrophobicContact CE2-CE2 4.13Å; F151-F417 AromaticContact CZ-CD2 3.47Å; F151-F417 HydrophobicContact CZ-CD2 3.47Å; F151-F417 VanDerWaalsContact CZ-CD2 3.47Å; F151-F417 AromaticContact CZ-CE2 3.59Å; F151-F417 HydrophobicContact CZ-CE2 3.59Å; E413-F417 HydrophobicContact CB-CE2 4.44Å; E413-F417 WeakPolarHBondContact O-CD2 3.44Å; E413-F417 PolarHBondContact O-N 3.05Å; E413-F417 VanDerWaalsContact O-N 3.09Å; T414-F417 PolarHBondContact O-N 2.79Å; F417-V508 HydrophobicContact CZ-CG1 4.35Å; F417-C511 HydrophobicContact CB-CB 3.85Å; F417-C511 HydrophobicContact CD1-CB 3.52Å; F417-C511 HydrophobicContact CD2-CB 3.77Å; F417-C511 HydrophobicContact CE1-CB 3.93Å; F417-C511 HydrophobicContact CE2-CB 4.16Å; F417-C511 HydrophobicContact CG-CB 3.43Å; F417-C511 VanDerWaalsContact CG-CB 3.43Å; F417-C511 HydrophobicContact CZ-CB 4.24Å; F417-V512 HydrophobicContact CE1-CG2 3.76Å; F417-V512 HydrophobicContact CZ-CG2 3.87Å; F417-L515 HydrophobicContact CD1-CB 4.38Å; F417-L515 HydrophobicContact CD1-CD2 4.02Å; F417-L515 HydrophobicContact CE1-CD2 4.2Å; F417-R518 PolarHBondContact O-NH2 2.03Å
418	F	94.6	Very high	94.2	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	-126.9	31	-175.5	-57.9	-87.9	0	0	0	111.8	K147 A148 F151 T414 T421 L422 Y495 I498	K147-F418 HydrophobicContact CB-CD1 4.48Å; K147-F418 HydrophobicContact CB-CE1 3.64Å; K147-F418 HydrophobicContact CB-CZ 4.17Å; A148-F418 HydrophobicContact CB-CB 3.83Å; A148-F418 HydrophobicContact CB-CD1 4.06Å; A148-F418 HydrophobicContact CB-CD2 4.18Å; A148-F418 HydrophobicContact CB-CG 3.75Å; F151-F418 HydrophobicContact CB-CD2 4.47Å; F151-F418 HydrophobicContact CB-CE2 3.57Å; F151-F418 HydrophobicContact CB-CZ 4.06Å; F151-F418 HydrophobicContact CD1-CE2 4.13Å; F151-F418 HydrophobicContact CD2-CE2 4.23Å; F151-F418 AromaticContact CG-CE2 3.7Å; F151-F418 HydrophobicContact CG-CE2 3.7Å; F151-F418 HydrophobicContact CG-CZ 4.49Å; T414-F418 HydrophobicContact CG2-CD2 3.82Å; T414-F418 HydrophobicContact CG2-CG 4.49Å; T414-F418 WeakPolarHBondContact O-CB 3.38Å; T414-F418 PolarHBondContact O-N 3.44Å; F418-T421 PolarHBondContact O-N 3.13Å; F418-L422 HydrophobicContact CB-CD1 4.46Å; F418-L422 PolarHBondContact O-N 3.34Å; F418-Y495 AromaticContact CD1-CD2 3.65Å; F418-Y495 HydrophobicContact CD1-CD2 3.65Å; F418-Y495 AromaticContact CD1-CE2 3.53Å; F418-Y495 HydrophobicContact CD1-CE2 3.53Å; F418-Y495 HydrophobicContact CD1-CG 4.47Å; F418-Y495 AromaticContact CE1-CD2 3.83Å; F418-Y495 HydrophobicContact CE1-CD2 3.83Å; F418-Y495 HydrophobicContact CE1-CE2 4.2Å; F418-Y495 HydrophobicContact CE1-CG 4.41Å; F418-I498 HydrophobicContact CE1-CD1 3.76Å; F418-I498 HydrophobicContact CZ-CD1 3.86Å; F418-I498 HydrophobicContact CZ-CG2 4.4Å
419	E	92.1	Very high	93.9	Very high	59 Å²	59	28.8 Å²	28.8	28%	0.276	14%	0.138	S	C	.	.	H	α-helix	trans	-50.4	-47.7	-176.5	-163.6	-131.5	133.2	0	0	113.2	G415 T421 L422 A423 W537	G415-E419 VanDerWaalsContact O-CA 3.23Å; G415-E419 WeakPolarHBondContact O-CA 3.09Å; G415-E419 VanDerWaalsContact O-CB 3.24Å; G415-E419 WeakPolarHBondContact O-CB 3.14Å; G415-E419 PolarHBondContact O-N 2.85Å; G415-E419 VanDerWaalsContact O-N 3.13Å; E419-T421 PolarHBondContact O-N 3.36Å; E419-L422 PolarHBondContact O-N 3.06Å; E419-A423 WeakPolarHBondContact O-CB 3.27Å; E419-A423 PolarHBondContact O-N 3.44Å; E419-W537 HydrophobicContact CB-CH2 4.32Å; E419-W537 HydrophobicContact CG-CH2 3.65Å; E419-W537 HydrophobicContact CG-CZ2 4.37Å; E419-W537 HydrophobicContact CG-CZ3 4.28Å
420	P	89.6	Confident	93.8	Very high	24 Å²	24	27.1 Å²	27.1	16%	0.156	13%	0.133	C	C	.	.	H	α-helix	trans	-58.5	-42.9	-179.5	-27.2	37.1	0	0	0	114.2	A424 W484 Y495	P420-A424 PolarHBondContact O-N 3.13Å; P420-W484 HydrophobicContact CB-CH2 4.07Å; P420-W484 HydrophobicContact CB-CZ3 3.59Å; P420-W484 HydrophobicContact CG-CH2 4.17Å; P420-W484 HydrophobicContact CG-CZ3 4.13Å; P420-Y495 WeakPolarHBondContact CD-OH 3.44Å
421	T	92.6	Very high	93.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-67	-50.3	176.5	-68.5	0	0	0	0	111.4	E145 F418 E419 A423 A424 L425 L490 A491 Y495	E145-T421 HydrophobicContact CG-CG2 4.21Å; F418-T421 PolarHBondContact O-N 3.13Å; E419-T421 PolarHBondContact O-N 3.36Å; T421-A423 VanDerWaalsContact C-N 3.25Å; T421-A423 PolarHBondContact O-N 3.49Å; T421-A424 PolarHBondContact O-N 2.57Å; T421-L425 HydrophobicContact CG2-CD1 3.84Å; T421-L425 VanDerWaalsContact O-CG 3.32Å; T421-L425 WeakPolarHBondContact O-CG 3.03Å; T421-L425 PolarHBondContact O-N 3.05Å; T421-L490 WeakPolarHBondContact CA-O 3.23Å; T421-L490 PolarHBondContact OG1-O 3.07Å; T421-L490 VanDerWaalsContact OG1-O 3.12Å; T421-A491 WeakPolarHBondContact CG2-O 3.27Å; T421-Y495 WeakPolarHBondContact OG1-CE2 3.49Å; T421-Y495 PolarHBondContact OG1-OH 3.49Å
422	L	93.8	Very high	93.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-67.1	-28.8	-178.2	-75.4	170.9	0	0	0	112.3	L129 L133 T414 F418 E419 L425 F426 W537	L129-L422 HydrophobicContact CD2-CB 4.36Å; L129-L422 HydrophobicContact CD2-CD2 4.25Å; L133-L422 HydrophobicContact CD1-CD2 4.26Å; L133-L422 HydrophobicContact CD2-CD2 4.13Å; L133-L422 HydrophobicContact CG-CD2 4.15Å; T414-L422 HydrophobicContact CG2-CD1 3.93Å; F418-L422 HydrophobicContact CB-CD1 4.46Å; F418-L422 PolarHBondContact O-N 3.34Å; E419-L422 PolarHBondContact O-N 3.06Å; L422-L425 HydrophobicContact CD2-CD1 4.48Å; L422-F426 WeakPolarHBondContact O-CB 3.36Å; L422-F426 PolarHBondContact O-N 2.93Å; L422-W537 HydrophobicContact CB-CH2 3.99Å; L422-W537 HydrophobicContact CB-CZ3 3.72Å
423	A	92.6	Very high	92.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-64.3	-53	174.6	0	0	0	0	0	110.6	E419 T421 L425 F426 V427 A485 P536 W537	E419-A423 WeakPolarHBondContact O-CB 3.27Å; E419-A423 PolarHBondContact O-N 3.44Å; T421-A423 VanDerWaalsContact C-N 3.25Å; T421-A423 PolarHBondContact O-N 3.49Å; A423-L425 VanDerWaalsContact C-N 3.33Å; A423-L425 PolarHBondContact O-N 3.11Å; A423-F426 PolarHBondContact O-N 3.23Å; A423-V427 VanDerWaalsContact O-CB 3.3Å; A423-V427 WeakPolarHBondContact O-CB 3.47Å; A423-V427 WeakPolarHBondContact O-CG2 3.36Å; A423-V427 PolarHBondContact O-N 3.27Å; A423-A485 HydrophobicContact CB-CB 4Å; A423-P536 HydrophobicContact CB-CG 3.86Å; A423-W537 HydrophobicContact CB-CZ3 4.29Å
424	A	91.7	Very high	92.7	Very high	11 Å²	11	33.4 Å²	33.4	9%	0.091	19%	0.189	C	C	.	.	H	α-helix	trans	-58.9	-43	177.5	0	0	0	0	0	112.1	P420 T421 R428 A485 L490 A491	P420-A424 PolarHBondContact O-N 3.13Å; T421-A424 PolarHBondContact O-N 2.57Å; A424-R428 VanDerWaalsContact O-CB 3.3Å; A424-R428 WeakPolarHBondContact O-CB 3.41Å; A424-R428 PolarHBondContact O-N 3Å; A424-R428 VanDerWaalsContact O-N 3.15Å; A424-A485 WeakPolarHBondContact CA-O 3.4Å; A424-L490 HydrophobicContact CB-CB 4.18Å; A424-A491 HydrophobicContact CB-CB 4.19Å
425	L	92.5	Very high	92.6	Very high	7 Å²	7	34.4 Å²	34.4	4%	0.037	20%	0.195	C	C	.	.	H	α-helix	trans	-65.9	-45.8	177.4	-67.1	172.2	0	0	0	112.6	I132 E145 T421 L422 A423 E429 A491	I132-L425 HydrophobicContact CD1-CB 4.45Å; I132-L425 HydrophobicContact CG2-CB 4.06Å; I132-L425 HydrophobicContact CG2-CD1 3.83Å; I132-L425 HydrophobicContact CG2-CG 4.46Å; E145-L425 HydrophobicContact CG-CD1 4.04Å; E145-L425 HydrophobicContact CG-CD2 4.28Å; T421-L425 HydrophobicContact CG2-CD1 3.84Å; T421-L425 VanDerWaalsContact O-CG 3.32Å; T421-L425 WeakPolarHBondContact O-CG 3.03Å; T421-L425 PolarHBondContact O-N 3.05Å; L422-L425 HydrophobicContact CD2-CD1 4.48Å; A423-L425 VanDerWaalsContact C-N 3.33Å; A423-L425 PolarHBondContact O-N 3.11Å; L425-E429 PolarHBondContact O-N 3.15Å; L425-A491 HydrophobicContact CD2-CB 3.91Å; L425-A491 HydrophobicContact CG-CB 4.11Å
426	F	94.9	Very high	92.5	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-64.4	-47.8	179.5	178.2	-91.4	0	0	0	111.7	N125 R128 L129 L422 A423 R428 E429 A430 W537 A554	N125-F426 HydrophobicContact CB-CE2 3.83Å; N125-F426 HydrophobicContact CB-CZ 4.05Å; R128-F426 HydrophobicContact CB-CE2 4.47Å; R128-F426 HydrophobicContact CG-CD2 4.26Å; R128-F426 HydrophobicContact CG-CE2 4.36Å; L129-F426 HydrophobicContact CD2-CB 3.95Å; L129-F426 HydrophobicContact CD2-CD2 3.93Å; L129-F426 HydrophobicContact CD2-CG 4.34Å; L129-F426 HydrophobicContact CG-CD2 4.15Å; L422-F426 WeakPolarHBondContact O-CB 3.36Å; L422-F426 PolarHBondContact O-N 2.93Å; A423-F426 PolarHBondContact O-N 3.23Å; F426-R428 VanDerWaalsContact C-N 3.3Å; F426-R428 PolarHBondContact O-N 3.03Å; F426-E429 PolarHBondContact O-N 3.14Å; F426-E429 VanDerWaalsContact O-N 3.15Å; F426-A430 HydrophobicContact CD1-CB 3.97Å; F426-A430 HydrophobicContact CE1-CB 3.54Å; F426-A430 HydrophobicContact CE2-CB 4.24Å; F426-A430 HydrophobicContact CG-CB 4.47Å; F426-A430 HydrophobicContact CZ-CB 3.69Å; F426-A430 WeakPolarHBondContact O-CB 3.46Å; F426-A430 PolarHBondContact O-N 2.95Å; F426-W537 HydrophobicContact CB-CE3 4.34Å; F426-W537 HydrophobicContact CD1-CB 3.74Å; F426-W537 HydrophobicContact CD2-CB 3.73Å; F426-W537 HydrophobicContact CE1-CB 3.64Å; F426-W537 HydrophobicContact CE2-CB 3.62Å; F426-W537 HydrophobicContact CG-CB 3.79Å; F426-W537 HydrophobicContact CZ-CB 3.58Å; F426-A554 HydrophobicContact CD1-CB 4.41Å; F426-A554 HydrophobicContact CE1-CB 3.98Å
427	V	92.9	Very high	92.6	Very high	7 Å²	7	37.8 Å²	37.8	4%	0.042	21%	0.205	C	C	.	.	H	α-helix	trans	-62.7	-39.3	-177.9	172.1	0	0	0	0	110.8	A423 E429 A430 F431 A481 L486 P536 A554	A423-V427 VanDerWaalsContact O-CB 3.3Å; A423-V427 WeakPolarHBondContact O-CB 3.47Å; A423-V427 WeakPolarHBondContact O-CG2 3.36Å; A423-V427 PolarHBondContact O-N 3.27Å; V427-E429 VanDerWaalsContact C-N 3.31Å; V427-E429 PolarHBondContact O-N 2.9Å; V427-A430 PolarHBondContact O-N 3.35Å; V427-F431 HydrophobicContact CG1-CB 4.37Å; V427-F431 CarbonylContact O-C 3.54Å; V427-F431 WeakPolarHBondContact O-CA 3.41Å; V427-F431 PolarHBondContact O-N 3.04Å; V427-A481 HydrophobicContact CG2-CB 3.61Å; V427-L486 HydrophobicContact CG1-CD2 3.58Å; V427-P536 HydrophobicContact CG2-CB 4.01Å; V427-A554 HydrophobicContact CG2-CB 4.29Å
428	R	90	Very high	92.7	Very high	173 Å²	173	38.3 Å²	38.3	65%	0.653	21%	0.213	S	C	*	.	H	α-helix	trans	-59.2	-36.7	174.7	-172.4	178	71	-165.9	1.6	113.2	A424 F426	A424-R428 VanDerWaalsContact O-CB 3.3Å; A424-R428 WeakPolarHBondContact O-CB 3.41Å; A424-R428 PolarHBondContact O-N 3Å; A424-R428 VanDerWaalsContact O-N 3.15Å; F426-R428 VanDerWaalsContact C-N 3.3Å; F426-R428 PolarHBondContact O-N 3.03Å
429	E	90.4	Very high	92.8	Very high	75 Å²	75	38.3 Å²	38.3	35%	0.35	21%	0.213	S	C	.	.	H	α-helix	trans	-85.6	-38.3	176.6	-166.8	-168.8	138.6	0	0	112.9	R128 R131 L425 F426 V427	R128-E429 WeakPolarHBondContact CD-OE1 3.25Å; R128-E429 WeakPolarHBondContact CG-OE2 3.14Å; R128-E429 IonicContact CZ-OE1 3.52Å; R128-E429 IonicContact NE-OE1 3.97Å; R128-E429 PolarHBondContact NE-OE1 2.68Å; R128-E429 IonicContact NE-OE2 2.69Å; R128-E429 IonicContact NH2-OE1 3.5Å; R131-E429 IonicContact CZ-OE1 2.73Å; R131-E429 VanDerWaalsContact CZ-OE1 3.26Å; R131-E429 IonicContact CZ-OE2 3.46Å; R131-E429 VanDerWaalsContact NH1-CD 3.32Å; R131-E429 IonicContact NH1-OE1 2.8Å; R131-E429 PolarHBondContact NH1-OE1 2.94Å; R131-E429 IonicContact NH1-OE2 2.98Å; R131-E429 PolarHBondContact NH1-OE2 3.37Å; R131-E429 IonicContact NH2-OE1 3.32Å; R131-E429 PolarHBondContact NH2-OE1 2.9Å; R131-E429 IonicContact NH2-OE2 3.49Å; L425-E429 PolarHBondContact O-N 3.15Å; F426-E429 PolarHBondContact O-N 3.14Å; F426-E429 VanDerWaalsContact O-N 3.15Å; V427-E429 VanDerWaalsContact C-N 3.31Å; V427-E429 PolarHBondContact O-N 2.9Å
430	A	92.4	Very high	93.1	Very high	13 Å²	13	38.3 Å²	38.3	11%	0.107	21%	0.213	C	C	.	.	H	α-helix	trans	-92.6	-29	-167.6	0	0	0	0	0	114.6	R128 F426 V427	R128-A430 VanDerWaalsContact NH1-CB 3.31Å; F426-A430 HydrophobicContact CD1-CB 3.97Å; F426-A430 HydrophobicContact CE1-CB 3.54Å; F426-A430 HydrophobicContact CE2-CB 4.24Å; F426-A430 HydrophobicContact CG-CB 4.47Å; F426-A430 HydrophobicContact CZ-CB 3.69Å; F426-A430 WeakPolarHBondContact O-CB 3.46Å; F426-A430 PolarHBondContact O-N 2.95Å; V427-A430 PolarHBondContact O-N 3.35Å
431	F	92.7	Very high	93.5	Very high	7 Å²	7	43.6 Å²	43.6	3%	0.031	23%	0.234	C	C	.	.			trans	-140.6	63.8	-161.5	-165.2	-106.9	0	0	0	112.9	V427 T435 R436 M479 A554 L557	V427-F431 HydrophobicContact CG1-CB 4.37Å; V427-F431 CarbonylContact O-C 3.54Å; V427-F431 WeakPolarHBondContact O-CA 3.41Å; V427-F431 PolarHBondContact O-N 3.04Å; F431-T435 HydrophobicContact CD2-CG2 3.63Å; F431-T435 HydrophobicContact CE2-CG2 3.63Å; F431-R436 HydrophobicContact CD1-CB 4.28Å; F431-R436 HydrophobicContact CE1-CB 3.52Å; F431-R436 HydrophobicContact CE1-CG 3.67Å; F431-R436 HydrophobicContact CZ-CB 3.83Å; F431-R436 HydrophobicContact CZ-CG 4.11Å; F431-M479 HydrophobicContact CE1-CG 4.47Å; F431-M479 HydrophobicContact CZ-CG 3.98Å; F431-A554 HydrophobicContact CB-CB 3.57Å; F431-A554 HydrophobicContact CD1-CB 4.36Å; F431-A554 HydrophobicContact CD2-CB 4.23Å; F431-A554 HydrophobicContact CG-CB 3.81Å; F431-L557 HydrophobicContact CD2-CB 4.03Å; F431-L557 HydrophobicContact CD2-CD1 4.42Å; F431-L557 HydrophobicContact CE2-CB 3.58Å; F431-L557 HydrophobicContact CE2-CD1 3.43Å; F431-L557 VanDerWaalsContact CE2-CD1 3.43Å; F431-L557 HydrophobicContact CE2-CG 4.15Å; F431-L557 HydrophobicContact CZ-CD1 3.58Å
432	G	89.9	Confident	93.7	Very high	27 Å²	27	44.1 Å²	44.1	28%	0.278	24%	0.237	S	C	.	.			trans	-64.5	168.2	178.8	0	0	0	0	0	114.8	S434 T435 R436	G432-S434 VanDerWaalsContact C-N 3.27Å; G432-S434 PolarHBondContact O-N 3.39Å; G432-S434 VanDerWaalsContact O-N 3.15Å; G432-T435 WeakPolarHBondContact O-CB 3.43Å; G432-T435 PolarHBondContact O-N 2.94Å; G432-R436 PolarHBondContact O-N 2.88Å; G432-R436 VanDerWaalsContact O-N 3.1Å
433	P	90.3	Very high	93.9	Very high	116 Å²	116	44.3 Å²	44.3	75%	0.753	24%	0.237	S	C	*	.	H	α-helix	trans	-57.4	-33.3	-173.9	-27	35.3	0	0	0	114.9	S437	P433-S437 WeakPolarHBondContact O-CB 3.18Å; P433-S437 PolarHBondContact O-N 2.95Å
434	S	92.7	Very high	94.2	Very high	85 Å²	85	46.6 Å²	46.6	59%	0.594	25%	0.251	S	S	*	.	H	α-helix	trans	-65.4	-44.8	175.8	52.1	0	0	0	0	112.1	G432 S437 A438	G432-S434 VanDerWaalsContact C-N 3.27Å; G432-S434 PolarHBondContact O-N 3.39Å; G432-S434 VanDerWaalsContact O-N 3.15Å; S434-S437 PolarHBondContact O-N 3.15Å; S434-A438 WeakPolarHBondContact O-CB 3.08Å; S434-A438 PolarHBondContact O-N 3.1Å
435	T	95.1	Very high	94.5	Very high	21 Å²	21	47.1 Å²	47.1	13%	0.129	26%	0.256	C	S	.	.	H	α-helix	trans	-61.7	-46.3	175.2	-49	0	0	0	0	110.9	F431 G432 S437 A438 A439 F562 P564	F431-T435 HydrophobicContact CD2-CG2 3.63Å; F431-T435 HydrophobicContact CE2-CG2 3.63Å; G432-T435 WeakPolarHBondContact O-CB 3.43Å; G432-T435 PolarHBondContact O-N 2.94Å; T435-S437 PolarHBondContact O-N 3.19Å; T435-A438 PolarHBondContact O-N 3.27Å; T435-A439 WeakPolarHBondContact O-CB 3.25Å; T435-A439 PolarHBondContact O-N 3.14Å; T435-F562 HydrophobicContact CG2-CD1 4Å; T435-F562 HydrophobicContact CG2-CE1 3.77Å; T435-P564 HydrophobicContact CG2-CG 4.43Å
436	R	93.4	Very high	94.8	Very high	101 Å²	101	46.8 Å²	46.8	38%	0.381	25%	0.254	S	S	.	.	H	α-helix	trans	-59.1	-47.1	175.3	-168.6	174.8	-171.2	-150	0.7	112.4	F431 G432 A438 A439 M440 M479	F431-R436 HydrophobicContact CD1-CB 4.28Å; F431-R436 HydrophobicContact CE1-CB 3.52Å; F431-R436 HydrophobicContact CE1-CG 3.67Å; F431-R436 HydrophobicContact CZ-CB 3.83Å; F431-R436 HydrophobicContact CZ-CG 4.11Å; G432-R436 PolarHBondContact O-N 2.88Å; G432-R436 VanDerWaalsContact O-N 3.1Å; R436-A438 PolarHBondContact O-N 2.9Å; R436-A439 PolarHBondContact O-N 2.04Å; R436-M440 WeakPolarHBondContact O-CB 3.43Å; R436-M440 PolarHBondContact O-N 3.02Å; R436-M479 HydrophobicContact CG-CG 4.46Å
437	S	95.9	Very high	94.9	Very high	53 Å²	53	50.2 Å²	50.2	37%	0.371	27%	0.267	S	S	.	.	H	α-helix	trans	-62.6	-42.2	178.2	-172.8	0	0	0	0	112.2	P433 S434 T435 K441	P433-S437 WeakPolarHBondContact O-CB 3.18Å; P433-S437 PolarHBondContact O-N 2.95Å; S434-S437 PolarHBondContact O-N 3.15Å; T435-S437 PolarHBondContact O-N 3.19Å; S437-K441 WeakPolarHBondContact O-CD 3.21Å; S437-K441 VanDerWaalsContact O-CG 3.27Å; S437-K441 WeakPolarHBondContact O-CG 3.39Å; S437-K441 PolarHBondContact O-N 3.07Å; S437-K441 PolarHBondContact OG-NZ 2.82Å; S437-K441 VanDerWaalsContact OG-NZ 3.09Å
438	A	97	Very high	95.1	Very high	26 Å²	26	52.5 Å²	52.5	22%	0.215	28%	0.279	C	S	.	.	H	α-helix	trans	-69	-42.3	179.3	0	0	0	0	0	112.1	S434 T435 R436 K441 L442 F562 P564	S434-A438 WeakPolarHBondContact O-CB 3.08Å; S434-A438 PolarHBondContact O-N 3.1Å; T435-A438 PolarHBondContact O-N 3.27Å; R436-A438 PolarHBondContact O-N 2.9Å; A438-K441 PolarHBondContact O-N 3.37Å; A438-L442 PolarHBondContact O-N 2.79Å; A438-F562 HydrophobicContact CB-CE1 4.34Å; A438-F562 HydrophobicContact CB-CZ 3.74Å; A438-P564 HydrophobicContact CB-CB 3.84Å; A438-P564 HydrophobicContact CB-CG 3.84Å
439	A	97.6	Very high	95.5	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-63.7	-42.3	176.5	0	0	0	0	0	111.4	T435 R436 K441 L442 F443 M479 L557 F562 M579	T435-A439 WeakPolarHBondContact O-CB 3.25Å; T435-A439 PolarHBondContact O-N 3.14Å; R436-A439 PolarHBondContact O-N 2.04Å; A439-K441 PolarHBondContact O-N 3.41Å; A439-L442 WeakPolarHBondContact O-CB 3.47Å; A439-L442 PolarHBondContact O-N 3.1Å; A439-F443 PolarHBondContact O-N 3.14Å; A439-M479 HydrophobicContact CB-CE 4.49Å; A439-M479 HydrophobicContact CB-CG 4.31Å; A439-M479 HydrophobicContact CB-SD 3.67Å; A439-L557 HydrophobicContact CB-CD1 4.17Å; A439-L557 HydrophobicContact CB-CD2 4.35Å; A439-F562 HydrophobicContact CB-CE1 3.91Å; A439-F562 HydrophobicContact CB-CZ 4Å; A439-M579 HydrophobicContact CB-CE 4.41Å
440	M	97.2	Very high	95.8	Very high	58 Å²	58	40.8 Å²	40.8	29%	0.286	23%	0.231	S	C	.	.	H	α-helix	trans	-64.8	-37.1	175.7	-170	57.4	73.2	0	0	112.9	R436 F443 T444 V477 M479	R436-M440 WeakPolarHBondContact O-CB 3.43Å; R436-M440 PolarHBondContact O-N 3.02Å; M440-F443 PolarHBondContact O-N 3.3Å; M440-F443 HydrophobicContact SD-CD1 4.07Å; M440-T444 WeakPolarHBondContact O-CB 3.3Å; M440-T444 PolarHBondContact O-N 2.92Å; M440-T444 PolarHBondContact O-OG1 3.49Å; M440-V477 HydrophobicContact CE-CG1 3.87Å; M440-V477 HydrophobicContact CE-CG2 4.17Å; M440-V477 HydrophobicContact SD-CG1 4.1Å; M440-M479 HydrophobicContact CB-CE 4.4Å; M440-M479 HydrophobicContact CE-CB 3.94Å; M440-M479 HydrophobicContact CE-CE 3.72Å; M440-M479 HydrophobicContact CE-CG 4.34Å; M440-M479 HydrophobicContact SD-CE 3.96Å
441	K	97.3	Very high	96	Very high	136 Å²	136	41.8 Å²	41.8	59%	0.591	24%	0.235	S	C	*	.	H	α-helix	trans	-64.9	-38.1	173.1	-75.4	163.4	-179.3	158.4	0	112.5	S437 A438 A439 A445	S437-K441 WeakPolarHBondContact O-CD 3.21Å; S437-K441 VanDerWaalsContact O-CG 3.27Å; S437-K441 WeakPolarHBondContact O-CG 3.39Å; S437-K441 PolarHBondContact O-N 3.07Å; S437-K441 PolarHBondContact OG-NZ 2.82Å; S437-K441 VanDerWaalsContact OG-NZ 3.09Å; A438-K441 PolarHBondContact O-N 3.37Å; A439-K441 PolarHBondContact O-N 3.41Å; K441-A445 PolarHBondContact O-N 2.81Å
442	L	98.2	Very high	96	Very high	11 Å²	11	44 Å²	44	6%	0.058	25%	0.249	C	C	.	.	H	α-helix	trans	-65.1	-52.4	173.4	177.9	62.2	0	0	0	110.6	A438 A439 T444 A445 I446 F562 N571 F572 A575 M579	A438-L442 PolarHBondContact O-N 2.79Å; A439-L442 WeakPolarHBondContact O-CB 3.47Å; A439-L442 PolarHBondContact O-N 3.1Å; L442-T444 VanDerWaalsContact C-N 3.31Å; L442-T444 PolarHBondContact O-N 2.85Å; L442-A445 WeakPolarHBondContact O-CB 3.41Å; L442-A445 PolarHBondContact O-N 2.89Å; L442-I446 HydrophobicContact CD1-CG1 4.36Å; L442-I446 WeakPolarHBondContact O-CG1 3.41Å; L442-I446 PolarHBondContact O-N 3.19Å; L442-F562 HydrophobicContact CD2-CD2 4.09Å; L442-F562 HydrophobicContact CD2-CE2 3.96Å; L442-N571 HydrophobicContact CD2-CB 4.39Å; L442-N571 WeakPolarHBondContact CD2-O 3.41Å; L442-F572 HydrophobicContact CD1-CD1 3.64Å; L442-F572 HydrophobicContact CD1-CD2 4.01Å; L442-F572 HydrophobicContact CD1-CE1 3.62Å; L442-F572 HydrophobicContact CD1-CE2 4Å; L442-F572 HydrophobicContact CD1-CG 3.83Å; L442-F572 HydrophobicContact CD1-CZ 3.81Å; L442-A575 HydrophobicContact CD2-CB 3.79Å; L442-M579 HydrophobicContact CB-SD 4.28Å; L442-M579 HydrophobicContact CD2-CE 4.28Å; L442-M579 HydrophobicContact CD2-SD 3.91Å; L442-M579 HydrophobicContact CG-SD 3.79Å
443	F	98.3	Very high	96.2	Very high	3 Å²	3	45.9 Å²	45.9	1%	0.013	25%	0.248	C	C	.	.	H	α-helix	trans	-54.6	-45	177.7	176.4	-98.7	0	0	0	112.6	A439 M440 A445 I446 R447 L475 V477 M479 V550 F552 M579 L583	A439-F443 PolarHBondContact O-N 3.14Å; M440-F443 PolarHBondContact O-N 3.3Å; M440-F443 HydrophobicContact SD-CD1 4.07Å; F443-A445 VanDerWaalsContact C-N 3.33Å; F443-A445 PolarHBondContact O-N 3.25Å; F443-I446 PolarHBondContact O-N 3.28Å; F443-R447 WeakPolarHBondContact O-CB 3.43Å; F443-R447 PolarHBondContact O-N 3.29Å; F443-L475 HydrophobicContact CZ-CD2 4.19Å; F443-V477 HydrophobicContact CD1-CB 4.34Å; F443-V477 HydrophobicContact CD1-CG1 4.3Å; F443-V477 HydrophobicContact CD1-CG2 3.89Å; F443-V477 HydrophobicContact CD2-CG2 4.37Å; F443-V477 HydrophobicContact CE1-CB 3.69Å; F443-V477 HydrophobicContact CE1-CG1 3.82Å; F443-V477 HydrophobicContact CE1-CG2 3.66Å; F443-V477 HydrophobicContact CE2-CG2 4.17Å; F443-V477 HydrophobicContact CG-CG2 4.24Å; F443-V477 HydrophobicContact CZ-CB 3.88Å; F443-V477 HydrophobicContact CZ-CG1 4.5Å; F443-V477 HydrophobicContact CZ-CG2 3.81Å; F443-M479 HydrophobicContact CB-CE 3.79Å; F443-M479 HydrophobicContact CG-CE 4.17Å; F443-V550 HydrophobicContact CE2-CG1 3.79Å; F443-V550 HydrophobicContact CZ-CG1 3.82Å; F443-F552 AromaticContact CD2-CE2 3.73Å; F443-F552 HydrophobicContact CD2-CE2 3.73Å; F443-F552 HydrophobicContact CD2-CZ 4.34Å; F443-F552 AromaticContact CE2-CE2 3.77Å; F443-F552 HydrophobicContact CE2-CE2 3.77Å; F443-F552 HydrophobicContact CE2-CZ 4.37Å; F443-M579 HydrophobicContact CB-CE 4.3Å; F443-M579 HydrophobicContact CB-SD 3.82Å; F443-M579 HydrophobicContact CD2-CB 4.43Å; F443-M579 HydrophobicContact CD2-CG 4.38Å; F443-M579 HydrophobicContact CD2-SD 4.43Å; F443-L583 HydrophobicContact CE2-CD1 4.22Å; F443-L583 HydrophobicContact CE2-CD2 3.91Å; F443-L583 HydrophobicContact CE2-CG 4.23Å; F443-L583 HydrophobicContact CZ-CD2 4.05Å
444	T	97.8	Very high	96.4	Very high	48 Å²	48	40.4 Å²	40.4	29%	0.294	21%	0.212	S	C	.	.	H	α-helix	trans	-58.4	-44.8	176.2	-55.9	0	0	0	0	111.3	M440 L442 I446 R447 D448	M440-T444 WeakPolarHBondContact O-CB 3.3Å; M440-T444 PolarHBondContact O-N 2.92Å; M440-T444 PolarHBondContact O-OG1 3.49Å; L442-T444 VanDerWaalsContact C-N 3.31Å; L442-T444 PolarHBondContact O-N 2.85Å; T444-I446 VanDerWaalsContact C-N 3.33Å; T444-I446 PolarHBondContact O-N 2.84Å; T444-R447 PolarHBondContact O-N 3.41Å; T444-D448 WeakPolarHBondContact O-CB 3.32Å; T444-D448 PolarHBondContact O-N 3.02Å
445	A	98	Very high	96.3	Very high	22 Å²	22	43.5 Å²	43.5	18%	0.182	21%	0.211	C	C	.	.	H	α-helix	trans	-65.3	-34.9	178.1	0	0	0	0	0	113.1	K441 L442 F443 A449 F572 A648	K441-A445 PolarHBondContact O-N 2.81Å; L442-A445 WeakPolarHBondContact O-CB 3.41Å; L442-A445 PolarHBondContact O-N 2.89Å; F443-A445 VanDerWaalsContact C-N 3.33Å; F443-A445 PolarHBondContact O-N 3.25Å; A445-A449 WeakPolarHBondContact O-CB 3.23Å; A445-A449 PolarHBondContact O-N 3.3Å; A445-F572 HydrophobicContact CB-CE1 3.98Å; A445-F572 HydrophobicContact CB-CZ 3.96Å; A445-A648 WeakPolarHBondContact O-CB 3.4Å
446	I	98.6	Very high	96	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-68.8	-50.5	175	-64.2	-65.6	0	0	0	110.8	L442 F443 T444 D448 A449 L450 F572 G576 M579 A580 L583 I644 A645 A648	L442-I446 HydrophobicContact CD1-CG1 4.36Å; L442-I446 WeakPolarHBondContact O-CG1 3.41Å; L442-I446 PolarHBondContact O-N 3.19Å; F443-I446 PolarHBondContact O-N 3.28Å; T444-I446 VanDerWaalsContact C-N 3.33Å; T444-I446 PolarHBondContact O-N 2.84Å; I446-D448 PolarHBondContact O-N 2.94Å; I446-A449 WeakPolarHBondContact O-CB 3.48Å; I446-A449 PolarHBondContact O-N 3.42Å; I446-A449 VanDerWaalsContact O-N 3.08Å; I446-L450 PolarHBondContact O-N 3.12Å; I446-F572 HydrophobicContact CD1-CD1 4Å; I446-F572 HydrophobicContact CD1-CE1 4.27Å; I446-G576 WeakPolarHBondContact CD1-O 3.3Å; I446-M579 HydrophobicContact CG1-CB 4.35Å; I446-M579 HydrophobicContact CG2-CB 4.24Å; I446-A580 HydrophobicContact CG2-CB 3.63Å; I446-L583 HydrophobicContact CG2-CD1 3.95Å; I446-I644 HydrophobicContact CG2-CG2 4.11Å; I446-A645 HydrophobicContact CD1-CB 3.98Å; I446-A648 HydrophobicContact CD1-CB 3.85Å
447	R	97.9	Very high	95.8	Very high	73 Å²	73	43.6 Å²	43.6	28%	0.275	22%	0.218	S	C	.	.	H	α-helix	trans	-57.1	-46.9	177.3	-173.6	-162.5	64.4	179.1	-2	111.4	F443 T444 A449 L450 I451 V472 L583	F443-R447 WeakPolarHBondContact O-CB 3.43Å; F443-R447 PolarHBondContact O-N 3.29Å; T444-R447 PolarHBondContact O-N 3.41Å; R447-A449 VanDerWaalsContact C-N 3.25Å; R447-A449 PolarHBondContact O-N 3.11Å; R447-L450 PolarHBondContact O-N 3.22Å; R447-I451 HydrophobicContact CG-CD1 4.13Å; R447-I451 WeakPolarHBondContact O-CG1 3.34Å; R447-I451 PolarHBondContact O-N 2.88Å; R447-V472 HydrophobicContact CG-CG1 3.59Å; R447-L583 HydrophobicContact CB-CD1 4.27Å
448	D	96.9	Very high	95.4	Very high	54 Å²	54	45.4 Å²	45.4	29%	0.289	23%	0.229	S	C	.	.	H	α-helix	trans	-64.2	-30.2	178.3	-67.8	2.6	0	0	0	112.2	T444 I446 T452	T444-D448 WeakPolarHBondContact O-CB 3.32Å; T444-D448 PolarHBondContact O-N 3.02Å; I446-D448 PolarHBondContact O-N 2.94Å; D448-T452 WeakPolarHBondContact O-CB 3.4Å; D448-T452 PolarHBondContact O-N 2.8Å; D448-T452 VanDerWaalsContact O-N 3.08Å; D448-T452 PolarHBondContact O-OG1 3.29Å
449	A	97.2	Very high	95.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-72.8	-42.7	174	0	0	0	0	0	111.8	A445 I446 R447 T452 R453 I644 Q647 A648	A445-A449 WeakPolarHBondContact O-CB 3.23Å; A445-A449 PolarHBondContact O-N 3.3Å; I446-A449 WeakPolarHBondContact O-CB 3.48Å; I446-A449 PolarHBondContact O-N 3.42Å; I446-A449 VanDerWaalsContact O-N 3.08Å; R447-A449 VanDerWaalsContact C-N 3.25Å; R447-A449 PolarHBondContact O-N 3.11Å; A449-T452 WeakPolarHBondContact O-CB 3.44Å; A449-T452 PolarHBondContact O-N 3.31Å; A449-R453 WeakPolarHBondContact O-CB 3.34Å; A449-R453 PolarHBondContact O-N 3.37Å; A449-I644 HydrophobicContact CB-CG2 4.08Å; A449-Q647 HydrophobicContact CB-CG 4.32Å; A449-Q647 PolarHBondContact O-NE2 3.44Å; A449-Q647 VanDerWaalsContact O-NE2 3.13Å; A449-A648 HydrophobicContact CB-CB 3.66Å
450	L	97.4	Very high	94.7	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.01	22%	0.221	C	C	.	.	H	α-helix	trans	-58.3	-50.8	171.9	170.7	59.6	0	0	0	111.3	I446 R447 T452 R453 L454 V472 L583 L584 F587 I644	I446-L450 PolarHBondContact O-N 3.12Å; R447-L450 PolarHBondContact O-N 3.22Å; L450-T452 VanDerWaalsContact C-N 3.29Å; L450-T452 PolarHBondContact O-N 2.96Å; L450-R453 WeakPolarHBondContact O-CA 3.47Å; L450-R453 WeakPolarHBondContact O-CB 3.29Å; L450-R453 PolarHBondContact O-N 3.04Å; L450-L454 HydrophobicContact CD1-CD1 4.08Å; L450-L454 HydrophobicContact CD1-CD2 4.16Å; L450-L454 HydrophobicContact CD1-CG 3.9Å; L450-L454 HydrophobicContact CG-CD1 4.1Å; L450-L454 HydrophobicContact CG-CG 4.39Å; L450-L454 WeakPolarHBondContact O-CG 3.4Å; L450-L454 PolarHBondContact O-N 2.88Å; L450-V472 HydrophobicContact CD2-CG1 4.12Å; L450-V472 HydrophobicContact CD2-CG2 3.9Å; L450-V472 HydrophobicContact CG-CG2 4.44Å; L450-L583 HydrophobicContact CD2-CB 3.62Å; L450-L583 HydrophobicContact CD2-CD1 4.02Å; L450-L583 HydrophobicContact CD2-CG 4.36Å; L450-L584 HydrophobicContact CD1-CD2 4.06Å; L450-F587 HydrophobicContact CD1-CE2 4.2Å; L450-F587 HydrophobicContact CD2-CE2 4.23Å; L450-I644 HydrophobicContact CB-CD1 4.28Å; L450-I644 HydrophobicContact CB-CG2 4.15Å; L450-I644 HydrophobicContact CD1-CD1 3.75Å
451	I	96.1	Very high	94.4	Very high	34 Å²	34	45 Å²	45	17%	0.174	22%	0.223	C	C	.	.	H	α-helix	trans	-53.7	-47.3	175.3	-69.7	171.7	0	0	0	110.2	R447 R453 L454 Q469 V472	R447-I451 HydrophobicContact CG-CD1 4.13Å; R447-I451 WeakPolarHBondContact O-CG1 3.34Å; R447-I451 PolarHBondContact O-N 2.88Å; I451-R453 VanDerWaalsContact C-N 3.25Å; I451-R453 PolarHBondContact O-N 3.19Å; I451-L454 PolarHBondContact O-N 2.88Å; I451-Q469 PolarHBondContact O-NE2 3.12Å; I451-V472 HydrophobicContact CD1-CG1 4.03Å; I451-V472 HydrophobicContact CG1-CB 4.21Å; I451-V472 HydrophobicContact CG1-CG1 3.68Å
452	T	94.3	Very high	94.2	Very high	55 Å²	55	45.5 Å²	45.5	34%	0.337	23%	0.228	S	C	.	.	H	α-helix	trans	-60.1	-35.5	176.8	-52.9	0	0	0	0	112.3	D448 A449 L450 N456	D448-T452 WeakPolarHBondContact O-CB 3.4Å; D448-T452 PolarHBondContact O-N 2.8Å; D448-T452 VanDerWaalsContact O-N 3.08Å; D448-T452 PolarHBondContact O-OG1 3.29Å; A449-T452 WeakPolarHBondContact O-CB 3.44Å; A449-T452 PolarHBondContact O-N 3.31Å; L450-T452 VanDerWaalsContact C-N 3.29Å; L450-T452 PolarHBondContact O-N 2.96Å; T452-N456 PolarHBondContact O-ND2 3.19Å
453	R	93.9	Very high	93.8	Very high	66 Å²	66	51 Å²	51	25%	0.249	25%	0.253	C	S	.	.	H	α-helix	trans	-74.5	-42.3	-176.7	-162.6	170.2	-175.9	80.3	14.1	112.4	A449 L450 I451 R455 N456 W732	A449-R453 WeakPolarHBondContact O-CB 3.34Å; A449-R453 PolarHBondContact O-N 3.37Å; L450-R453 WeakPolarHBondContact O-CA 3.47Å; L450-R453 WeakPolarHBondContact O-CB 3.29Å; L450-R453 PolarHBondContact O-N 3.04Å; I451-R453 VanDerWaalsContact C-N 3.25Å; I451-R453 PolarHBondContact O-N 3.19Å; R453-R455 PolarHBondContact O-N 3.1Å; R453-N456 PolarHBondContact O-N 2.87Å; R453-W732 VanDerWaalsContact CD-OXT 3.3Å; R453-W732 WeakPolarHBondContact CD-OXT 3.22Å; R453-W732 WeakPolarHBondContact CG-OXT 3.37Å; R453-W732 PolarHBondContact NE-O 3.42Å; R453-W732 PolarHBondContact NE-OXT 3.13Å; R453-W732 PolarHBondContact NH2-O 3.35Å; R453-W732 PolarHBondContact NH2-OXT 3.21Å
454	L	94.2	Very high	93.5	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-54.7	-35.2	179.3	-69.7	168.5	0	0	0	113.5	L450 I451 N456 L457 M460 Q465 A468 Q469 V472 F587	L450-L454 HydrophobicContact CD1-CD1 4.08Å; L450-L454 HydrophobicContact CD1-CD2 4.16Å; L450-L454 HydrophobicContact CD1-CG 3.9Å; L450-L454 HydrophobicContact CG-CD1 4.1Å; L450-L454 HydrophobicContact CG-CG 4.39Å; L450-L454 WeakPolarHBondContact O-CG 3.4Å; L450-L454 PolarHBondContact O-N 2.88Å; I451-L454 PolarHBondContact O-N 2.88Å; L454-N456 PolarHBondContact O-N 3.45Å; L454-N456 VanDerWaalsContact O-N 3.12Å; L454-L457 HydrophobicContact CD2-CD1 3.77Å; L454-L457 PolarHBondContact O-N 3.28Å; L454-M460 HydrophobicContact CD2-CE 4.34Å; L454-Q465 WeakPolarHBondContact O-CG 3.08Å; L454-A468 HydrophobicContact CD1-CB 4.19Å; L454-A468 HydrophobicContact CD2-CB 4.16Å; L454-Q469 HydrophobicContact CB-CG 4.39Å; L454-V472 HydrophobicContact CD1-CG2 4.14Å; L454-F587 HydrophobicContact CD1-CE2 4.13Å; L454-F587 HydrophobicContact CD1-CZ 3.71Å; L454-F587 HydrophobicContact CD2-CE2 3.97Å; L454-F587 HydrophobicContact CD2-CZ 3.96Å; L454-F587 HydrophobicContact CG-CZ 4.5Å
455	R	91.1	Very high	93.3	Very high	149 Å²	149	50.3 Å²	50.3	56%	0.562	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-12.9	176.5	-60.5	-166.8	170.4	153.8	3.1	115.3	R453 Q465 Q469	R453-R455 PolarHBondContact O-N 3.1Å; R455-Q465 PolarHBondContact O-OE1 3.38Å; R455-Q465 VanDerWaalsContact O-OE1 3.13Å; R455-Q469 VanDerWaalsContact NE-NE2 3.11Å
456	N	87.2	Confident	93	Very high	121 Å²	121	52.7 Å²	52.7	65%	0.647	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.4	17.8	-171.8	-59.7	-80.9	0	0	0	111.4	T452 R453 L454 P458	T452-N456 PolarHBondContact O-ND2 3.19Å; R453-N456 PolarHBondContact O-N 2.87Å; L454-N456 PolarHBondContact O-N 3.45Å; L454-N456 VanDerWaalsContact O-N 3.12Å; N456-P458 WeakPolarHBondContact O-CD 3.33Å
457	L	90.6	Very high	92.8	Very high	4 Å²	4	57.9 Å²	57.9	2%	0.021	28%	0.282	C	S	.	.			trans	-83.2	111.8	178.7	-76.7	-175.5	0	0	0	110.9	L454 W459 M460 Q465 L731 W732	L454-L457 HydrophobicContact CD2-CD1 3.77Å; L454-L457 PolarHBondContact O-N 3.28Å; L457-W459 VanDerWaalsContact C-N 3.26Å; L457-W459 HydrophobicContact CD1-CZ2 4.11Å; L457-W459 PolarHBondContact O-N 3.44Å; L457-M460 HydrophobicContact CB-CB 4.38Å; L457-M460 HydrophobicContact CB-CG 4.3Å; L457-M460 HydrophobicContact CB-SD 4.43Å; L457-M460 HydrophobicContact CD1-CE 3.73Å; L457-M460 HydrophobicContact CD1-CG 4.45Å; L457-M460 HydrophobicContact CD1-SD 3.86Å; L457-M460 PolarHBondContact O-N 3.01Å; L457-Q465 PolarHBondContact O-NE2 2.97Å; L457-L731 VanDerWaalsContact CD2-O 3.29Å; L457-L731 WeakPolarHBondContact CD2-O 3.48Å; L457-W732 HydrophobicContact CD1-CE3 4.27Å; L457-W732 HydrophobicContact CD1-CZ3 4.5Å; L457-W732 WeakPolarHBondContact CD2-OXT 3.36Å
458	P	86.3	Confident	92.6	Very high	91 Å²	91	54.6 Å²	54.6	59%	0.591	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-19.8	-171.9	29.1	-36	0	0	0	113.8	N456	N456-P458 WeakPolarHBondContact O-CD 3.33Å
459	W	90.4	Very high	92.5	Very high	6 Å²	6	52.6 Å²	52.6	2%	0.023	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-6.4	179.3	61.2	-94.4	0	0	0	114	L457 L590 L591 C599 D600 A603 L604 L731 W732	L457-W459 VanDerWaalsContact C-N 3.26Å; L457-W459 HydrophobicContact CD1-CZ2 4.11Å; L457-W459 PolarHBondContact O-N 3.44Å; W459-L590 HydrophobicContact CH2-CB 4.35Å; W459-L590 HydrophobicContact CZ3-CB 4.37Å; W459-L591 HydrophobicContact CH2-CD2 3.94Å; W459-L591 HydrophobicContact CZ2-CD2 4.2Å; W459-C599 HydrophobicContact CE3-CB 4.07Å; W459-C599 HydrophobicContact CZ3-CB 4.46Å; W459-C599 CarbonylContact O-C 3.59Å; W459-C599 WeakPolarHBondContact O-CA 3.46Å; W459-C599 WeakPolarHBondContact O-CB 3.46Å; W459-D600 HydrophobicContact CB-CB 4.28Å; W459-D600 PolarHBondContact O-N 2.72Å; W459-A603 HydrophobicContact CB-CB 3.86Å; W459-L604 HydrophobicContact CD2-CD2 3.69Å; W459-L604 HydrophobicContact CD2-CG 4.11Å; W459-L604 HydrophobicContact CE3-CD1 3.83Å; W459-L604 HydrophobicContact CE3-CD2 3.61Å; W459-L604 HydrophobicContact CE3-CG 3.81Å; W459-L604 HydrophobicContact CG-CD2 4.25Å; W459-L604 HydrophobicContact CG-CG 4.45Å; W459-L604 HydrophobicContact CH2-CD2 4.04Å; W459-L604 HydrophobicContact CZ2-CD2 4.15Å; W459-L604 HydrophobicContact CZ3-CD1 4Å; W459-L604 HydrophobicContact CZ3-CD2 3.79Å; W459-L604 HydrophobicContact CZ3-CG 4.27Å; W459-L731 HydrophobicContact CZ2-CD1 4.32Å; W459-L731 PolarHBondContact NE1-O 3.44Å; W459-W732 HydrophobicContact CH2-CH2 4.5Å; W459-W732 HydrophobicContact CH2-CZ3 4.23Å; W459-W732 HydrophobicContact CZ2-CE3 4.25Å; W459-W732 HydrophobicContact CZ2-CH2 4.35Å; W459-W732 AromaticContact CZ2-CZ3 3.81Å; W459-W732 HydrophobicContact CZ2-CZ3 3.81Å
460	M	90.4	Very high	92.4	Very high	7 Å²	7	57.1 Å²	57.1	3%	0.034	28%	0.284	C	S	.	.	S	Bend	trans	-105	131.5	172	-66.2	-173.3	-178.3	0	0	109.5	L454 L457 T464 Q465 A468 L590 W732	L454-M460 HydrophobicContact CD2-CE 4.34Å; L457-M460 HydrophobicContact CB-CB 4.38Å; L457-M460 HydrophobicContact CB-CG 4.3Å; L457-M460 HydrophobicContact CB-SD 4.43Å; L457-M460 HydrophobicContact CD1-CE 3.73Å; L457-M460 HydrophobicContact CD1-CG 4.45Å; L457-M460 HydrophobicContact CD1-SD 3.86Å; L457-M460 PolarHBondContact O-N 3.01Å; M460-T464 HydrophobicContact CB-CG2 4.26Å; M460-T464 HydrophobicContact CG-CG2 4.04Å; M460-T464 HydrophobicContact SD-CG2 4.1Å; M460-Q465 HydrophobicContact CB-CG 3.55Å; M460-Q465 PolarHBondContact O-NE2 3.19Å; M460-Q465 HydrophobicContact SD-CG 4.33Å; M460-A468 HydrophobicContact CE-CB 4.49Å; M460-A468 HydrophobicContact SD-CB 4.27Å; M460-L590 HydrophobicContact CE-CD1 3.77Å; M460-W732 HydrophobicContact CE-CZ3 4.5Å
461	N	90.4	Very high	92.3	Very high	62 Å²	62	61 Å²	61	33%	0.332	30%	0.301	S	S	.	.			trans	-68.8	163.2	166.1	75.4	-14.4	0	0	0	111	E463 T464 Q465	N461-E463 VanDerWaalsContact C-N 3.26Å; N461-E463 PolarHBondContact O-N 3Å; N461-T464 PolarHBondContact O-N 2.97Å; N461-T464 VanDerWaalsContact O-N 3.07Å; N461-T464 WeakPolarHBondContact OD1-CB 3.42Å; N461-T464 PolarHBondContact OD1-N 3.18Å; N461-T464 PolarHBondContact OD1-OG1 2.83Å; N461-Q465 WeakPolarHBondContact O-CG 3.48Å; N461-Q465 PolarHBondContact O-N 3.12Å
462	E	92	Very high	92.3	Very high	146 Å²	146	59.4 Å²	59.4	68%	0.682	29%	0.292	S	S	*	.	H	α-helix	trans	-54.5	-39.6	-176.5	-176	174.9	-169.8	0	0	113.1	Q465 N466	E462-Q465 PolarHBondContact O-N 2.8Å; E462-N466 WeakPolarHBondContact O-CB 3.38Å; E462-N466 VanDerWaalsContact O-CG 3.3Å; E462-N466 PolarHBondContact O-N 3Å; E462-N466 PolarHBondContact O-ND2 3.48Å
463	E	91.2	Very high	92.3	Very high	128 Å²	128	59.6 Å²	59.6	60%	0.598	30%	0.3	S	S	*	.	H	α-helix	trans	-60.6	-49.3	175.3	-171.4	-175.5	-174.6	0	0	112.2	N461 Q465 N466 M467	N461-E463 VanDerWaalsContact C-N 3.26Å; N461-E463 PolarHBondContact O-N 3Å; E463-Q465 VanDerWaalsContact C-N 3.34Å; E463-Q465 PolarHBondContact O-N 3.48Å; E463-N466 PolarHBondContact O-N 3.49Å; E463-M467 HydrophobicContact CG-CE 4.27Å; E463-M467 WeakPolarHBondContact O-CG 3.48Å; E463-M467 PolarHBondContact O-N 3.45Å
464	T	91.2	Very high	92.4	Very high	6 Å²	6	63.3 Å²	63.3	4%	0.037	32%	0.32	C	S	.	.	H	α-helix	trans	-66.1	-37.2	177.9	-56.7	0	0	0	0	111.6	M460 N461 A468	M460-T464 HydrophobicContact CB-CG2 4.26Å; M460-T464 HydrophobicContact CG-CG2 4.04Å; M460-T464 HydrophobicContact SD-CG2 4.1Å; N461-T464 PolarHBondContact O-N 2.97Å; N461-T464 VanDerWaalsContact O-N 3.07Å; N461-T464 WeakPolarHBondContact OD1-CB 3.42Å; N461-T464 PolarHBondContact OD1-N 3.18Å; N461-T464 PolarHBondContact OD1-OG1 2.83Å; T464-A468 VanDerWaalsContact O-CB 3.29Å; T464-A468 WeakPolarHBondContact O-CB 3.46Å; T464-A468 PolarHBondContact O-N 2.73Å
465	Q	93.5	Very high	92.4	Very high	30 Å²	30	64.1 Å²	64.1	14%	0.14	32%	0.324	C	S	.	.	H	α-helix	trans	-60.2	-49.1	173.8	-67.6	178.9	4.9	0	0	110.7	L454 R455 L457 M460 N461 E462 E463 A468 Q469	L454-Q465 WeakPolarHBondContact O-CG 3.08Å; R455-Q465 PolarHBondContact O-OE1 3.38Å; R455-Q465 VanDerWaalsContact O-OE1 3.13Å; L457-Q465 PolarHBondContact O-NE2 2.97Å; M460-Q465 HydrophobicContact CB-CG 3.55Å; M460-Q465 PolarHBondContact O-NE2 3.19Å; M460-Q465 HydrophobicContact SD-CG 4.33Å; N461-Q465 WeakPolarHBondContact O-CG 3.48Å; N461-Q465 PolarHBondContact O-N 3.12Å; E462-Q465 PolarHBondContact O-N 2.8Å; E463-Q465 VanDerWaalsContact C-N 3.34Å; E463-Q465 PolarHBondContact O-N 3.48Å; Q465-A468 WeakPolarHBondContact O-CB 3.43Å; Q465-A468 PolarHBondContact O-N 3.32Å; Q465-Q469 WeakPolarHBondContact O-CG 3.45Å; Q465-Q469 PolarHBondContact O-N 2.91Å
466	N	93.2	Very high	92.5	Very high	72 Å²	72	62 Å²	62	39%	0.385	32%	0.321	S	S	.	.	H	α-helix	trans	-60.9	-47.9	178.6	-72.3	-31.4	0	0	0	111.7	E462 E463 A468 Q469 D470	E462-N466 WeakPolarHBondContact O-CB 3.38Å; E462-N466 VanDerWaalsContact O-CG 3.3Å; E462-N466 PolarHBondContact O-N 3Å; E462-N466 PolarHBondContact O-ND2 3.48Å; E463-N466 PolarHBondContact O-N 3.49Å; N466-A468 VanDerWaalsContact C-N 3.27Å; N466-A468 PolarHBondContact O-N 3.34Å; N466-Q469 WeakPolarHBondContact O-CB 3.46Å; N466-Q469 PolarHBondContact O-N 3.5Å; N466-D470 PolarHBondContact O-N 2.87Å
467	M	92.8	Very high	92.7	Very high	108 Å²	108	58.3 Å²	58.3	53%	0.532	30%	0.303	S	S	.	.	H	α-helix	trans	-56.7	-39.8	173.5	-71.7	-169	-69.7	0	0	112.6	E463 K471	E463-M467 HydrophobicContact CG-CE 4.27Å; E463-M467 WeakPolarHBondContact O-CG 3.48Å; E463-M467 PolarHBondContact O-N 3.45Å; M467-K471 WeakPolarHBondContact O-CB 3.11Å; M467-K471 PolarHBondContact O-N 2.95Å
468	A	93.9	Very high	92.8	Very high	4 Å²	4	60.5 Å²	60.5	3%	0.033	31%	0.312	C	S	.	.	H	α-helix	trans	-67.3	-36.1	176.5	0	0	0	0	0	112.5	L454 M460 T464 Q465 N466 V472 F587	L454-A468 HydrophobicContact CD1-CB 4.19Å; L454-A468 HydrophobicContact CD2-CB 4.16Å; M460-A468 HydrophobicContact CE-CB 4.49Å; M460-A468 HydrophobicContact SD-CB 4.27Å; T464-A468 VanDerWaalsContact O-CB 3.29Å; T464-A468 WeakPolarHBondContact O-CB 3.46Å; T464-A468 PolarHBondContact O-N 2.73Å; Q465-A468 WeakPolarHBondContact O-CB 3.43Å; Q465-A468 PolarHBondContact O-N 3.32Å; N466-A468 VanDerWaalsContact C-N 3.27Å; N466-A468 PolarHBondContact O-N 3.34Å; A468-V472 WeakPolarHBondContact O-CG2 3.49Å; A468-V472 PolarHBondContact O-N 3.27Å; A468-F587 HydrophobicContact CB-CD1 4.38Å; A468-F587 HydrophobicContact CB-CE1 3.54Å; A468-F587 HydrophobicContact CB-CZ 3.98Å
469	Q	95.3	Very high	93	Very high	13 Å²	13	56.2 Å²	56.2	6%	0.061	29%	0.285	C	S	.	.	H	α-helix	trans	-66	-48.6	174	-54.7	-145.2	-71.2	0	0	111.8	I451 L454 R455 Q465 N466 K471 V472 A473	I451-Q469 PolarHBondContact O-NE2 3.12Å; L454-Q469 HydrophobicContact CB-CG 4.39Å; R455-Q469 VanDerWaalsContact NE-NE2 3.11Å; Q465-Q469 WeakPolarHBondContact O-CG 3.45Å; Q465-Q469 PolarHBondContact O-N 2.91Å; N466-Q469 WeakPolarHBondContact O-CB 3.46Å; N466-Q469 PolarHBondContact O-N 3.5Å; Q469-K471 VanDerWaalsContact C-N 3.29Å; Q469-K471 PolarHBondContact O-N 2.84Å; Q469-V472 CarbonylContact O-C 3.55Å; Q469-V472 PolarHBondContact O-N 3.37Å; Q469-V472 VanDerWaalsContact O-N 3.08Å; Q469-A473 PolarHBondContact O-N 3.47Å
470	D	94.9	Very high	93.1	Very high	95 Å²	95	55.9 Å²	55.9	51%	0.508	28%	0.283	S	S	.	.	H	α-helix	trans	-62.1	-39.8	-178.4	-74.1	-20	0	0	0	111.2	N466 V472 A473 Q474	N466-D470 PolarHBondContact O-N 2.87Å; D470-V472 PolarHBondContact O-N 2.87Å; D470-A473 WeakPolarHBondContact O-CB 3.38Å; D470-A473 PolarHBondContact O-N 3.12Å; D470-A473 VanDerWaalsContact O-N 3.13Å; D470-Q474 WeakPolarHBondContact O-CB 3.36Å; D470-Q474 VanDerWaalsContact O-CG 3.3Å; D470-Q474 WeakPolarHBondContact O-CG 3.32Å; D470-Q474 PolarHBondContact O-N 2.88Å
471	K	94.7	Very high	93	Very high	83 Å²	83	55.6 Å²	55.6	36%	0.361	28%	0.282	S	S	.	.	H	α-helix	trans	-59.5	-44.3	172.4	-162.9	175	-175.3	-166.7	0	111.7	M467 Q469 A473 Q474 L475 H548 I586	M467-K471 WeakPolarHBondContact O-CB 3.11Å; M467-K471 PolarHBondContact O-N 2.95Å; Q469-K471 VanDerWaalsContact C-N 3.29Å; Q469-K471 PolarHBondContact O-N 2.84Å; K471-A473 VanDerWaalsContact C-N 3.3Å; K471-A473 PolarHBondContact O-N 3.07Å; K471-Q474 PolarHBondContact O-N 2.69Å; K471-L475 PolarHBondContact O-N 3.33Å; K471-H548 PolarHBondContact O-CE1 3.47Å; K471-H548 PolarHBondContact O-NE2 3.4Å; K471-I586 HydrophobicContact CD-CG2 3.59Å; K471-I586 HydrophobicContact CG-CG2 3.78Å; K471-I586 PolarHBondContact NZ-O 3.12Å
472	V	97	Very high	92.6	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-70.4	-26	175.8	175.2	0	0	0	0	112.7	R447 L450 I451 L454 A468 Q469 D470 I586 F587	R447-V472 HydrophobicContact CG-CG1 3.59Å; L450-V472 HydrophobicContact CD2-CG1 4.12Å; L450-V472 HydrophobicContact CD2-CG2 3.9Å; L450-V472 HydrophobicContact CG-CG2 4.44Å; I451-V472 HydrophobicContact CD1-CG1 4.03Å; I451-V472 HydrophobicContact CG1-CB 4.21Å; I451-V472 HydrophobicContact CG1-CG1 3.68Å; L454-V472 HydrophobicContact CD1-CG2 4.14Å; A468-V472 WeakPolarHBondContact O-CG2 3.49Å; A468-V472 PolarHBondContact O-N 3.27Å; Q469-V472 CarbonylContact O-C 3.55Å; Q469-V472 PolarHBondContact O-N 3.37Å; Q469-V472 VanDerWaalsContact O-N 3.08Å; D470-V472 PolarHBondContact O-N 2.87Å; V472-I586 HydrophobicContact CG2-CD1 4.23Å; V472-F587 HydrophobicContact CG2-CE1 4.47Å; V472-F587 HydrophobicContact CG2-CE2 3.93Å; V472-F587 HydrophobicContact CG2-CZ 3.46Å; V472-F587 VanDerWaalsContact CG2-CZ 3.46Å
473	A	94.8	Very high	92	Very high	60 Å²	60	52.8 Å²	52.8	50%	0.496	27%	0.267	S	S	.	.	H	α-helix	trans	-75.5	-34.1	176.1	0	0	0	0	0	113	Q469 D470 K471	Q469-A473 PolarHBondContact O-N 3.47Å; D470-A473 WeakPolarHBondContact O-CB 3.38Å; D470-A473 PolarHBondContact O-N 3.12Å; D470-A473 VanDerWaalsContact O-N 3.13Å; K471-A473 VanDerWaalsContact C-N 3.3Å; K471-A473 PolarHBondContact O-N 3.07Å
474	Q	94.7	Very high	91.2	Very high	144 Å²	144	49.2 Å²	49.2	67%	0.673	25%	0.248	S	C	*	.	H	α-helix	trans	-83.6	-13	178.9	-67.6	173.9	27.6	0	0	113.9	D470 K471 Q476	D470-Q474 WeakPolarHBondContact O-CB 3.36Å; D470-Q474 VanDerWaalsContact O-CG 3.3Å; D470-Q474 WeakPolarHBondContact O-CG 3.32Å; D470-Q474 PolarHBondContact O-N 2.88Å; K471-Q474 PolarHBondContact O-N 2.69Å; Q474-Q476 PolarHBondContact O-N 3.37Å
475	L	94.8	Very high	90.4	Very high	17 Å²	17	49 Å²	49	9%	0.089	25%	0.247	C	C	.	.			trans	-53.5	126.1	179.6	179.5	74.8	0	0	0	112.8	F443 K471 Y543 H548 V550 L583 I586	F443-L475 HydrophobicContact CZ-CD2 4.19Å; K471-L475 PolarHBondContact O-N 3.33Å; L475-Y543 HydrophobicContact CD1-CD2 4.07Å; L475-Y543 HydrophobicContact CD1-CE2 3.73Å; L475-H548 WeakPolarHBondContact CA-NE2 3.17Å; L475-H548 PolarHBondContact N-NE2 3.27Å; L475-V550 HydrophobicContact CD1-CB 4.48Å; L475-V550 HydrophobicContact CD2-CB 4.4Å; L475-V550 HydrophobicContact CD2-CG1 3.81Å; L475-V550 HydrophobicContact CG-CG1 4.28Å; L475-L583 HydrophobicContact CD2-CD2 3.16Å; L475-I586 HydrophobicContact CD1-CD1 3.83Å; L475-I586 HydrophobicContact CD1-CG1 4.4Å; L475-I586 HydrophobicContact CD2-CD1 3.77Å; L475-I586 HydrophobicContact CG-CD1 4.3Å
476	Q	92.4	Very high	89.5	Confident	105 Å²	105	50 Å²	50	49%	0.491	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	142.3	169.9	-61.9	-172.1	3.6	0	0	110.4	Q474 H548 V549 V550	Q474-Q476 PolarHBondContact O-N 3.37Å; Q476-H548 PolarHBondContact N-O 3.49Å; Q476-H548 VanDerWaalsContact N-O 3.07Å; Q476-V549 HydrophobicContact CB-CB 4.02Å; Q476-V549 HydrophobicContact CB-CG2 3.81Å; Q476-V549 CarbonylContact O-C 3.51Å; Q476-V549 VanDerWaalsContact O-CA 3.3Å; Q476-V549 WeakPolarHBondContact O-CA 3.37Å; Q476-V549 WeakPolarHBondContact O-CG2 3.42Å; Q476-V550 PolarHBondContact O-N 3.2Å
477	V	92.8	Very high	88.9	Confident	44 Å²	44	51.9 Å²	51.9	27%	0.267	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	124.5	178.1	55.4	0	0	0	0	111	M440 F443 M479 V550	M440-V477 HydrophobicContact CE-CG1 3.87Å; M440-V477 HydrophobicContact CE-CG2 4.17Å; M440-V477 HydrophobicContact SD-CG1 4.1Å; F443-V477 HydrophobicContact CD1-CB 4.34Å; F443-V477 HydrophobicContact CD1-CG1 4.3Å; F443-V477 HydrophobicContact CD1-CG2 3.89Å; F443-V477 HydrophobicContact CD2-CG2 4.37Å; F443-V477 HydrophobicContact CE1-CB 3.69Å; F443-V477 HydrophobicContact CE1-CG1 3.82Å; F443-V477 HydrophobicContact CE1-CG2 3.66Å; F443-V477 HydrophobicContact CE2-CG2 4.17Å; F443-V477 HydrophobicContact CG-CG2 4.24Å; F443-V477 HydrophobicContact CZ-CB 3.88Å; F443-V477 HydrophobicContact CZ-CG1 4.5Å; F443-V477 HydrophobicContact CZ-CG2 3.81Å; V477-M479 HydrophobicContact CG2-CE 3.98Å; V477-V550 HydrophobicContact CB-CG1 4.13Å; V477-V550 HydrophobicContact CG2-CG1 4.1Å
478	E	91.3	Very high	88	Confident	49 Å²	49	50.5 Å²	50.5	23%	0.229	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	123.2	-179.6	-82.4	-78.2	-143.7	0	0	109.3	W532 V549 V550 V551 F552	E478-W532 HydrophobicContact CB-CZ2 3.75Å; E478-W532 HydrophobicContact CG-CZ2 4.37Å; E478-W532 PolarHBondContact OE1-NE1 2.59Å; E478-V549 HydrophobicContact CB-CG2 4.13Å; E478-V549 HydrophobicContact CG-CG2 3.68Å; E478-V550 PolarHBondContact N-O 3.09Å; E478-V551 HydrophobicContact CB-CB 4.46Å; E478-V551 HydrophobicContact CB-CG1 4.3Å; E478-V551 HydrophobicContact CB-CG2 4.13Å; E478-F552 PolarHBondContact O-N 3.06Å
479	M	91.8	Very high	87.6	Confident	1 Å²	1	56 Å²	56	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	110.9	-162.1	-171.1	83.8	65.4	0	0	111.4	F431 R436 A439 M440 F443 V477 A481 F552 L557 M579	F431-M479 HydrophobicContact CE1-CG 4.47Å; F431-M479 HydrophobicContact CZ-CG 3.98Å; R436-M479 HydrophobicContact CG-CG 4.46Å; A439-M479 HydrophobicContact CB-CE 4.49Å; A439-M479 HydrophobicContact CB-CG 4.31Å; A439-M479 HydrophobicContact CB-SD 3.67Å; M440-M479 HydrophobicContact CB-CE 4.4Å; M440-M479 HydrophobicContact CE-CB 3.94Å; M440-M479 HydrophobicContact CE-CE 3.72Å; M440-M479 HydrophobicContact CE-CG 4.34Å; M440-M479 HydrophobicContact SD-CE 3.96Å; F443-M479 HydrophobicContact CB-CE 3.79Å; F443-M479 HydrophobicContact CG-CE 4.17Å; V477-M479 HydrophobicContact CG2-CE 3.98Å; M479-A481 PolarHBondContact O-N 2.99Å; M479-F552 HydrophobicContact CE-CD2 4.43Å; M479-F552 HydrophobicContact SD-CB 4.13Å; M479-F552 HydrophobicContact SD-CD2 4.42Å; M479-L557 HydrophobicContact CG-CD1 4.13Å; M479-L557 HydrophobicContact SD-CD1 3.61Å; M479-M579 HydrophobicContact CE-CE 4.48Å; M479-M579 HydrophobicContact SD-CE 4.36Å
480	G	92.1	Very high	86.9	Confident	0 Å²	0	57 Å²	57	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	91.3	-68	-176.7	0	0	0	0	0	112.4	F552 P553 A554	G480-F552 PolarHBondContact N-O 3.48Å; G480-P553 CarbonylContact O-C 3.53Å; G480-P553 WeakPolarHBondContact O-CA 3.47Å; G480-A554 WeakPolarHBondContact O-CB 3.19Å; G480-A554 PolarHBondContact O-N 3.27Å
481	A	88.3	Confident	86.2	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.264	C	S	.	.	S	Bend	trans	-152.4	167.7	176.4	0	0	0	0	0	108.7	V427 M479 A485 L486 P536	V427-A481 HydrophobicContact CG2-CB 3.61Å; M479-A481 PolarHBondContact O-N 2.99Å; A481-A485 HydrophobicContact CB-CB 3.83Å; A481-L486 HydrophobicContact CB-CG 4.45Å; A481-P536 HydrophobicContact CB-CB 3.85Å; A481-P536 HydrophobicContact CB-CG 3.88Å
482	S	81.9	Confident	85.8	Confident	3 Å²	3	54.9 Å²	54.9	2%	0.021	27%	0.27	C	S	.	.			trans	-55.5	153.5	171.4	60.3	0	0	0	0	111.1	W484 A485 L486	S482-W484 VanDerWaalsContact CB-CD1 3.46Å; S482-W484 PolarHBondContact O-N 3.47Å; S482-W484 VanDerWaalsContact O-N 3.14Å; S482-W484 PolarHBondContact OG-NE1 3.11Å; S482-A485 PolarHBondContact O-N 3.02Å; S482-A485 VanDerWaalsContact O-N 3.08Å; S482-A485 VanDerWaalsContact OG-CB 3.28Å; S482-A485 WeakPolarHBondContact OG-CB 3.21Å; S482-A485 PolarHBondContact OG-N 3.32Å; S482-L486 PolarHBondContact O-N 2.89Å
483	E	79.2	Confident	85.2	Confident	146 Å²	146	57.8 Å²	57.8	68%	0.682	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-29.2	176.1	-172.4	175.9	-145.1	0	0	112.7
484	W	74.1	Confident	84.6	Confident	54 Å²	54	60.6 Å²	60.6	21%	0.205	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-57.8	171.9	68.9	-100.7	0	0	0	110.2	P420 S482 L486 K487 L490	P420-W484 HydrophobicContact CB-CH2 4.07Å; P420-W484 HydrophobicContact CB-CZ3 3.59Å; P420-W484 HydrophobicContact CG-CH2 4.17Å; P420-W484 HydrophobicContact CG-CZ3 4.13Å; S482-W484 VanDerWaalsContact CB-CD1 3.46Å; S482-W484 PolarHBondContact O-N 3.47Å; S482-W484 VanDerWaalsContact O-N 3.14Å; S482-W484 PolarHBondContact OG-NE1 3.11Å; W484-L486 PolarHBondContact O-N 3.22Å; W484-K487 VanDerWaalsContact O-CB 3.31Å; W484-K487 WeakPolarHBondContact O-CB 3.39Å; W484-K487 WeakPolarHBondContact O-CG 3.4Å; W484-K487 PolarHBondContact O-N 3.46Å; W484-L490 HydrophobicContact CE3-CD1 3.49Å; W484-L490 VanDerWaalsContact CE3-CD1 3.49Å; W484-L490 HydrophobicContact CE3-CD2 4.32Å; W484-L490 HydrophobicContact CZ3-CD1 4.03Å; W484-L490 WeakPolarHBondContact O-CD1 3.33Å
485	A	75	Confident	84.4	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-15.1	-175.4	0	0	0	0	0	115.6	A423 A424 A481 S482 K487	A423-A485 HydrophobicContact CB-CB 4Å; A424-A485 WeakPolarHBondContact CA-O 3.4Å; A481-A485 HydrophobicContact CB-CB 3.83Å; S482-A485 PolarHBondContact O-N 3.02Å; S482-A485 VanDerWaalsContact O-N 3.08Å; S482-A485 VanDerWaalsContact OG-CB 3.28Å; S482-A485 WeakPolarHBondContact OG-CB 3.21Å; S482-A485 PolarHBondContact OG-N 3.32Å; A485-K487 VanDerWaalsContact C-N 3.27Å; A485-K487 PolarHBondContact O-N 2.9Å
486	L	74.7	Confident	84.2	Confident	53 Å²	53	58 Å²	58	28%	0.277	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-8.6	173.1	-72.7	162.8	0	0	0	113.9	V427 A481 S482 W484	V427-L486 HydrophobicContact CG1-CD2 3.58Å; A481-L486 HydrophobicContact CB-CG 4.45Å; S482-L486 PolarHBondContact O-N 2.89Å; W484-L486 PolarHBondContact O-N 3.22Å
487	K	79.4	Confident	84.2	Confident	111 Å²	111	56.7 Å²	56.7	48%	0.483	27%	0.274	S	S	.	.			trans	-84.3	122.6	-177.8	-64	177.8	-175.7	-177.5	0	111.6	W484 A485 E489 L490	W484-K487 VanDerWaalsContact O-CB 3.31Å; W484-K487 WeakPolarHBondContact O-CB 3.39Å; W484-K487 WeakPolarHBondContact O-CG 3.4Å; W484-K487 PolarHBondContact O-N 3.46Å; A485-K487 VanDerWaalsContact C-N 3.27Å; A485-K487 PolarHBondContact O-N 2.9Å; K487-E489 PolarHBondContact O-N 2.9Å; K487-E489 VanDerWaalsContact O-N 3.1Å; K487-L490 HydrophobicContact CB-CD1 4.17Å; K487-L490 PolarHBondContact O-N 3.46Å
488	P	75.2	Confident	84.3	Confident	78 Å²	78	54.7 Å²	54.7	51%	0.506	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-55.9	-28.2	179.7	-26.5	35.1	0	0	0	114.6	L490 A491	P488-L490 PolarHBondContact O-N 3.46Å; P488-A491 WeakPolarHBondContact O-CB 3.41Å; P488-A491 PolarHBondContact O-N 2.9Å
489	E	84.8	Confident	84.4	Confident	121 Å²	121	59.7 Å²	59.7	57%	0.565	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-64.6	-23.8	-176	-64.6	62.9	-130.3	0	0	112.4	K487 R492 Q493	K487-E489 PolarHBondContact O-N 2.9Å; K487-E489 VanDerWaalsContact O-N 3.1Å; E489-R492 CarbonylContact O-C 3.55Å; E489-R492 WeakPolarHBondContact O-CA 3.4Å; E489-R492 PolarHBondContact O-N 3.19Å; E489-R492 VanDerWaalsContact O-N 3.11Å; E489-Q493 PolarHBondContact O-N 3.22Å; E489-Q493 VanDerWaalsContact O-N 3.13Å
490	L	80.8	Confident	84.4	Confident	32 Å²	32	61.9 Å²	61.9	17%	0.168	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-74.9	-25.8	179.1	-69.5	161.9	0	0	0	114.1	T421 A424 W484 K487 P488 R492 Q493	T421-L490 WeakPolarHBondContact CA-O 3.23Å; T421-L490 PolarHBondContact OG1-O 3.07Å; T421-L490 VanDerWaalsContact OG1-O 3.12Å; A424-L490 HydrophobicContact CB-CB 4.18Å; W484-L490 HydrophobicContact CE3-CD1 3.49Å; W484-L490 VanDerWaalsContact CE3-CD1 3.49Å; W484-L490 HydrophobicContact CE3-CD2 4.32Å; W484-L490 HydrophobicContact CZ3-CD1 4.03Å; W484-L490 WeakPolarHBondContact O-CD1 3.33Å; K487-L490 HydrophobicContact CB-CD1 4.17Å; K487-L490 PolarHBondContact O-N 3.46Å; P488-L490 PolarHBondContact O-N 3.46Å; L490-R492 PolarHBondContact O-N 2.9Å; L490-Q493 VanDerWaalsContact O-CB 3.29Å; L490-Q493 WeakPolarHBondContact O-CB 3.49Å; L490-Q493 PolarHBondContact O-N 2.86Å; L490-Q493 VanDerWaalsContact O-N 3.13Å
491	A	80.1	Confident	84.2	Confident	2 Å²	2	63.5 Å²	63.5	2%	0.017	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-39.5	167.1	0	0	0	0	0	109.5	E145 T421 A424 L425 P488 Q493	E145-A491 HydrophobicContact CG-CB 4.24Å; E145-A491 VanDerWaalsContact CG-O 3.3Å; E145-A491 WeakPolarHBondContact CG-O 3.42Å; E145-A491 PolarHBondContact N-O 3.33Å; T421-A491 WeakPolarHBondContact CG2-O 3.27Å; A424-A491 HydrophobicContact CB-CB 4.19Å; L425-A491 HydrophobicContact CD2-CB 3.91Å; L425-A491 HydrophobicContact CG-CB 4.11Å; P488-A491 WeakPolarHBondContact O-CB 3.41Å; P488-A491 PolarHBondContact O-N 2.9Å; A491-Q493 PolarHBondContact O-N 3Å
492	R	86.4	Confident	84.3	Confident	132 Å²	132	69.1 Å²	69.1	50%	0.498	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	8.1	177.1	-61.3	-175.3	176.9	118.9	-5.8	114.5	H140 E489 L490 E494	H140-R492 PolarHBondContact CD2-NE 3.33Å; H140-R492 PolarHBondContact NE2-NE 3.23Å; E489-R492 CarbonylContact O-C 3.55Å; E489-R492 WeakPolarHBondContact O-CA 3.4Å; E489-R492 PolarHBondContact O-N 3.19Å; E489-R492 VanDerWaalsContact O-N 3.11Å; L490-R492 PolarHBondContact O-N 2.9Å; R492-E494 PolarHBondContact O-N 2.9Å
493	Q	84.6	Confident	84.9	Confident	62 Å²	62	69.6 Å²	69.6	29%	0.29	36%	0.356	S	S	.	.			trans	-56.4	123.9	-179.5	177.3	176.8	-1.1	0	0	110.3	G144 E489 L490 A491 Y495	G144-Q493 WeakPolarHBondContact CA-O 3.42Å; G144-Q493 PolarHBondContact N-O 3.32Å; E489-Q493 PolarHBondContact O-N 3.22Å; E489-Q493 VanDerWaalsContact O-N 3.13Å; L490-Q493 VanDerWaalsContact O-CB 3.29Å; L490-Q493 WeakPolarHBondContact O-CB 3.49Å; L490-Q493 PolarHBondContact O-N 2.86Å; L490-Q493 VanDerWaalsContact O-N 3.13Å; A491-Q493 PolarHBondContact O-N 3Å; Q493-Y495 HydrophobicContact CG-CE1 4.3Å
494	E	82	Confident	85.7	Confident	119 Å²	119	63 Å²	63	56%	0.556	33%	0.325	S	S	*	.			trans	-76	128.4	175.9	-65.2	-179	-173.9	0	0	110.9	R492 N496	R492-E494 PolarHBondContact O-N 2.9Å; E494-N496 PolarHBondContact OE2-ND2 2.94Å
495	Y	90.6	Very high	86.8	Confident	1 Å²	1	60.6 Å²	60.6	0%	0.004	32%	0.316	C	S	.	.			trans	-103.4	64.6	170.9	-59.1	-73.2	0	0	0	109.6	K147 F418 P420 T421 Q493 D497 I498	K147-Y495 PolarHBondContact NZ-O 3.39Å; F418-Y495 AromaticContact CD1-CD2 3.65Å; F418-Y495 HydrophobicContact CD1-CD2 3.65Å; F418-Y495 AromaticContact CD1-CE2 3.53Å; F418-Y495 HydrophobicContact CD1-CE2 3.53Å; F418-Y495 HydrophobicContact CD1-CG 4.47Å; F418-Y495 AromaticContact CE1-CD2 3.83Å; F418-Y495 HydrophobicContact CE1-CD2 3.83Å; F418-Y495 HydrophobicContact CE1-CE2 4.2Å; F418-Y495 HydrophobicContact CE1-CG 4.41Å; P420-Y495 WeakPolarHBondContact CD-OH 3.44Å; T421-Y495 WeakPolarHBondContact OG1-CE2 3.49Å; T421-Y495 PolarHBondContact OG1-OH 3.49Å; Q493-Y495 HydrophobicContact CG-CE1 4.3Å; Y495-D497 PolarHBondContact O-N 2.85Å; Y495-D497 VanDerWaalsContact O-N 3.16Å; Y495-I498 HydrophobicContact CG-CD1 4.18Å; Y495-I498 PolarHBondContact O-N 2.8Å
496	N	90.8	Very high	87.7	Confident	104 Å²	104	63.1 Å²	63.1	56%	0.556	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-19.8	-170	-72.3	-29.7	0	0	0	114.6	E494	E494-N496 PolarHBondContact OE2-ND2 2.94Å
497	D	91.8	Very high	88.8	Confident	78 Å²	78	60.7 Å²	60.7	42%	0.417	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-18.9	171.8	62.5	-37	0	0	0	113.8	Y495 S514	Y495-D497 PolarHBondContact O-N 2.85Å; Y495-D497 VanDerWaalsContact O-N 3.16Å; D497-S514 PolarHBondContact OD1-OG 3.22Å; D497-S514 VanDerWaalsContact OD2-CA 3.3Å; D497-S514 WeakPolarHBondContact OD2-CA 3.11Å; D497-S514 WeakPolarHBondContact OD2-CB 3.32Å; D497-S514 PolarHBondContact OD2-OG 3.15Å
498	I	95.1	Very high	89.6	Confident	2 Å²	2	56.2 Å²	56.2	1%	0.01	30%	0.297	C	S	.	.			trans	-82.4	119.1	173	-63	-178	0	0	0	110.2	K147 F418 Y495 L500 S514	K147-I498 HydrophobicContact CD-CB 4.48Å; K147-I498 PolarHBondContact NZ-O 3.44Å; F418-I498 HydrophobicContact CE1-CD1 3.76Å; F418-I498 HydrophobicContact CZ-CD1 3.86Å; F418-I498 HydrophobicContact CZ-CG2 4.4Å; Y495-I498 HydrophobicContact CG-CD1 4.18Å; Y495-I498 PolarHBondContact O-N 2.8Å; I498-L500 HydrophobicContact CG2-CD2 3.79Å; I498-L500 HydrophobicContact CG2-CG 4.24Å; I498-S514 VanDerWaalsContact CG1-CB 3.43Å; I498-S514 WeakPolarHBondContact CG1-OG 3.48Å
499	Q	93.5	Very high	90.5	Very high	154 Å²	154	52.9 Å²	52.9	72%	0.72	28%	0.275	S	S	*	.			trans	-118.6	106.5	170.7	-63.1	179.7	13.9	0	0	107.6	G501 S510	Q499-G501 PolarHBondContact O-N 2.96Å; Q499-S510 PolarHBondContact N-OG 3.37Å; Q499-S510 VanDerWaalsContact O-CB 3.23Å; Q499-S510 WeakPolarHBondContact O-CB 3.42Å; Q499-S510 PolarHBondContact O-OG 3Å
500	L	92.9	Very high	91	Very high	48 Å²	48	48 Å²	48	25%	0.251	25%	0.254	S	S	.	.			trans	-70.1	128.3	177.2	-59.6	-180	0	0	0	108.9	Q150 F151 I498 S507	Q150-L500 HydrophobicContact CB-CD1 3.34Å; Q150-L500 HydrophobicContact CG-CD1 4.48Å; F151-L500 HydrophobicContact CB-CD1 4.39Å; F151-L500 HydrophobicContact CB-CD2 4.22Å; F151-L500 HydrophobicContact CD2-CD2 4.06Å; I498-L500 HydrophobicContact CG2-CD2 3.79Å; I498-L500 HydrophobicContact CG2-CG 4.24Å; L500-S507 WeakPolarHBondContact CA-OG 3.29Å
501	G	87.2	Confident	91.8	Very high	33 Å²	33	46.5 Å²	46.5	34%	0.34	25%	0.246	S	C	.	.			trans	-88.4	-179.7	-170.5	0	0	0	0	0	113.5	Q499 S503 S507	Q499-G501 PolarHBondContact O-N 2.96Å; G501-S503 PolarHBondContact O-N 2.8Å; G501-S507 PolarHBondContact N-OG 3.45Å
502	S	89.5	Confident	92.4	Very high	119 Å²	119	48 Å²	48	83%	0.832	26%	0.255	S	S	*	.	S	Bend	trans	-72.1	-7.5	177.3	62.6	0	0	0	0	113.6	Q506	S502-Q506 PolarHBondContact OG-OE1 2.76Å
503	S	94.6	Very high	92.7	Very high	13 Å²	13	45.9 Å²	45.9	9%	0.091	25%	0.247	C	C	.	.	S	Bend	trans	-138.8	153.8	176.8	59.1	0	0	0	0	110.8	P168 G501 L505 Q506 S507	P168-S503 WeakPolarHBondContact CG-OG 3.45Å; G501-S503 PolarHBondContact O-N 2.8Å; S503-L505 VanDerWaalsContact C-N 3.26Å; S503-L505 PolarHBondContact O-N 3.12Å; S503-Q506 PolarHBondContact O-N 2.99Å; S503-Q506 VanDerWaalsContact O-N 3.07Å; S503-Q506 WeakPolarHBondContact OG-CG 3.32Å; S503-S507 PolarHBondContact O-N 2.84Å; S503-S507 VanDerWaalsContact O-N 3.13Å
504	F	96.8	Very high	93.1	Very high	8 Å²	8	43 Å²	43	4%	0.035	23%	0.234	C	C	.	.	H	α-helix	trans	-55.5	-40.4	178.2	-178.9	-124.9	0	0	0	112.7	F151 C155 I161 A376 E413 Q506 S507 V508	F151-F504 HydrophobicContact CE1-CE2 4.24Å; F151-F504 AromaticContact CE2-CE2 3.95Å; F151-F504 HydrophobicContact CE2-CE2 3.95Å; F151-F504 AromaticContact CZ-CE2 3.67Å; F151-F504 HydrophobicContact CZ-CE2 3.67Å; F151-F504 HydrophobicContact CZ-CZ 4.17Å; C155-F504 VanDerWaalsContact CA-CE2 3.47Å; C155-F504 HydrophobicContact CB-CD2 4.09Å; C155-F504 HydrophobicContact CB-CE1 4.5Å; C155-F504 HydrophobicContact CB-CE2 3.4Å; C155-F504 VanDerWaalsContact CB-CE2 3.4Å; C155-F504 HydrophobicContact CB-CZ 3.63Å; I161-F504 HydrophobicContact CD1-CB 3.71Å; I161-F504 HydrophobicContact CD1-CD1 3.77Å; I161-F504 HydrophobicContact CD1-CG 3.86Å; I161-F504 HydrophobicContact CG1-CB 3.68Å; I161-F504 HydrophobicContact CG1-CD1 4.5Å; I161-F504 HydrophobicContact CG1-CG 4.38Å; A376-F504 HydrophobicContact CB-CD1 4.13Å; A376-F504 HydrophobicContact CB-CE1 4.04Å; E413-F504 WeakPolarHBondContact OE2-CZ 3.48Å; F504-Q506 PolarHBondContact O-N 2.67Å; F504-S507 WeakPolarHBondContact O-CB 3.48Å; F504-S507 PolarHBondContact O-N 3.47Å; F504-V508 HydrophobicContact CD1-CG2 4.35Å; F504-V508 HydrophobicContact CD2-CG2 4.15Å; F504-V508 HydrophobicContact CE1-CG2 3.93Å; F504-V508 HydrophobicContact CE2-CG2 3.68Å; F504-V508 HydrophobicContact CG-CG2 4.46Å; F504-V508 HydrophobicContact CZ-CG2 3.57Å; F504-V508 WeakPolarHBondContact O-CG2 3.45Å; F504-V508 PolarHBondContact O-N 3.05Å
505	L	96.4	Very high	93.5	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.016	22%	0.218	C	C	.	.	H	α-helix	trans	-58.5	-45.4	175.8	-177.4	70.5	0	0	0	112.3	P168 L169 L373 A376 L377 S503 S507 V508 L509	P168-L505 HydrophobicContact CB-CB 4.02Å; P168-L505 HydrophobicContact CB-CD2 3.69Å; P168-L505 HydrophobicContact CB-CG 4.42Å; L169-L505 HydrophobicContact CB-CD2 4.23Å; L373-L505 HydrophobicContact CB-CD1 4.01Å; L373-L505 HydrophobicContact CD1-CD1 4.28Å; L373-L505 HydrophobicContact CD2-CD1 4.13Å; L373-L505 HydrophobicContact CG-CD1 4.35Å; A376-L505 HydrophobicContact CB-CD1 3.86Å; L377-L505 HydrophobicContact CD2-CB 4.49Å; L377-L505 HydrophobicContact CD2-CD2 4.04Å; S503-L505 VanDerWaalsContact C-N 3.26Å; S503-L505 PolarHBondContact O-N 3.12Å; L505-S507 VanDerWaalsContact C-N 3.33Å; L505-S507 PolarHBondContact O-N 3.41Å; L505-V508 PolarHBondContact O-N 3.12Å; L505-L509 HydrophobicContact CD2-CD1 4.45Å; L505-L509 HydrophobicContact CG-CD1 4.05Å; L505-L509 HydrophobicContact CG-CG 4.41Å; L505-L509 VanDerWaalsContact O-CG 3.28Å; L505-L509 WeakPolarHBondContact O-CG 3.48Å; L505-L509 PolarHBondContact O-N 2.94Å
506	Q	95.1	Very high	93.5	Very high	53 Å²	53	42.1 Å²	42.1	25%	0.248	23%	0.228	C	C	.	.	H	α-helix	trans	-63.9	-39.6	178.7	-73.2	172.8	-12.5	0	0	111.6	S502 S503 F504 L509 S510	S502-Q506 PolarHBondContact OG-OE1 2.76Å; S503-Q506 PolarHBondContact O-N 2.99Å; S503-Q506 VanDerWaalsContact O-N 3.07Å; S503-Q506 WeakPolarHBondContact OG-CG 3.32Å; F504-Q506 PolarHBondContact O-N 2.67Å; Q506-L509 PolarHBondContact O-N 3.14Å; Q506-S510 PolarHBondContact O-N 3.21Å
507	S	96.6	Very high	93.5	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.014	21%	0.214	C	C	.	.	H	α-helix	trans	-60.7	-46	172.3	-67.9	0	0	0	0	112.4	L500 G501 S503 F504 L505 L509 S510 C511	L500-S507 WeakPolarHBondContact CA-OG 3.29Å; G501-S507 PolarHBondContact N-OG 3.45Å; S503-S507 PolarHBondContact O-N 2.84Å; S503-S507 VanDerWaalsContact O-N 3.13Å; F504-S507 WeakPolarHBondContact O-CB 3.48Å; F504-S507 PolarHBondContact O-N 3.47Å; L505-S507 VanDerWaalsContact C-N 3.33Å; L505-S507 PolarHBondContact O-N 3.41Å; S507-L509 PolarHBondContact O-N 3.31Å; S507-S510 PolarHBondContact O-N 2.82Å; S507-C511 WeakPolarHBondContact O-CB 3.25Å; S507-C511 PolarHBondContact O-N 2.84Å; S507-C511 PolarHBondContact O-SG 3.32Å
508	V	96.2	Very high	93.3	Very high	16 Å²	16	36.9 Å²	36.9	10%	0.097	20%	0.201	C	C	.	.	H	α-helix	trans	-58.4	-45.9	174.3	169.6	0	0	0	0	110.9	F151 A376 F417 F504 L505 S510 C511 V512	F151-V508 HydrophobicContact CE2-CG2 3.97Å; F151-V508 HydrophobicContact CZ-CG2 3.99Å; A376-V508 HydrophobicContact CB-CG2 4.19Å; F417-V508 HydrophobicContact CZ-CG1 4.35Å; F504-V508 HydrophobicContact CD1-CG2 4.35Å; F504-V508 HydrophobicContact CD2-CG2 4.15Å; F504-V508 HydrophobicContact CE1-CG2 3.93Å; F504-V508 HydrophobicContact CE2-CG2 3.68Å; F504-V508 HydrophobicContact CG-CG2 4.46Å; F504-V508 HydrophobicContact CZ-CG2 3.57Å; F504-V508 WeakPolarHBondContact O-CG2 3.45Å; F504-V508 PolarHBondContact O-N 3.05Å; L505-V508 PolarHBondContact O-N 3.12Å; V508-S510 PolarHBondContact O-N 3.3Å; V508-C511 PolarHBondContact O-N 2.95Å; V508-V512 HydrophobicContact CG1-CG2 4.29Å; V508-V512 WeakPolarHBondContact O-CB 3.44Å; V508-V512 VanDerWaalsContact O-CG2 3.31Å; V508-V512 WeakPolarHBondContact O-CG2 3.21Å; V508-V512 PolarHBondContact O-N 3.14Å
509	L	95.2	Very high	92.8	Very high	9 Å²	9	40.4 Å²	40.4	5%	0.047	22%	0.219	C	C	.	.	H	α-helix	trans	-64.5	-40.5	179.5	-70	172.8	0	0	0	112.9	V172 Y201 L373 L505 Q506 S507 V512 R513	V172-L509 HydrophobicContact CG2-CD1 3.7Å; Y201-L509 HydrophobicContact CD1-CD2 3.49Å; Y201-L509 VanDerWaalsContact CD1-CD2 3.49Å; Y201-L509 HydrophobicContact CE1-CD1 4.03Å; Y201-L509 HydrophobicContact CE1-CD2 3.79Å; L373-L509 HydrophobicContact CD1-CD2 4.41Å; L373-L509 HydrophobicContact CD2-CD2 3.83Å; L505-L509 HydrophobicContact CD2-CD1 4.45Å; L505-L509 HydrophobicContact CG-CD1 4.05Å; L505-L509 HydrophobicContact CG-CG 4.41Å; L505-L509 VanDerWaalsContact O-CG 3.28Å; L505-L509 WeakPolarHBondContact O-CG 3.48Å; L505-L509 PolarHBondContact O-N 2.94Å; Q506-L509 PolarHBondContact O-N 3.14Å; S507-L509 PolarHBondContact O-N 3.31Å; L509-V512 PolarHBondContact O-N 3.33Å; L509-R513 VanDerWaalsContact O-CG 3.29Å; L509-R513 WeakPolarHBondContact O-CG 3.43Å; L509-R513 PolarHBondContact O-N 3.02Å; L509-R513 VanDerWaalsContact O-N 3.12Å
510	S	95.8	Very high	92.6	Very high	18 Å²	18	33.4 Å²	33.4	13%	0.126	19%	0.187	C	C	.	.	H	α-helix	trans	-61.7	-46	173	-176.7	0	0	0	0	111.2	Q499 Q506 S507 V508 V512 R513 S514	Q499-S510 PolarHBondContact N-OG 3.37Å; Q499-S510 VanDerWaalsContact O-CB 3.23Å; Q499-S510 WeakPolarHBondContact O-CB 3.42Å; Q499-S510 PolarHBondContact O-OG 3Å; Q506-S510 PolarHBondContact O-N 3.21Å; S507-S510 PolarHBondContact O-N 2.82Å; V508-S510 PolarHBondContact O-N 3.3Å; S510-V512 PolarHBondContact O-N 2.89Å; S510-R513 PolarHBondContact O-N 3.34Å; S510-S514 PolarHBondContact O-N 3.35Å
511	C	95.6	Very high	92.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-64.8	-38.3	178.7	-64.8	0	0	0	0	113	F151 F417 S507 V508 S514 L515	F151-C511 HydrophobicContact CE2-CB 4.49Å; F417-C511 HydrophobicContact CB-CB 3.85Å; F417-C511 HydrophobicContact CD1-CB 3.52Å; F417-C511 HydrophobicContact CD2-CB 3.77Å; F417-C511 HydrophobicContact CE1-CB 3.93Å; F417-C511 HydrophobicContact CE2-CB 4.16Å; F417-C511 HydrophobicContact CG-CB 3.43Å; F417-C511 VanDerWaalsContact CG-CB 3.43Å; F417-C511 HydrophobicContact CZ-CB 4.24Å; S507-C511 WeakPolarHBondContact O-CB 3.25Å; S507-C511 PolarHBondContact O-N 2.84Å; S507-C511 PolarHBondContact O-SG 3.32Å; V508-C511 PolarHBondContact O-N 2.95Å; C511-S514 PolarHBondContact O-N 3.32Å; C511-L515 VanDerWaalsContact O-CB 3.27Å; C511-L515 WeakPolarHBondContact O-CB 3.46Å; C511-L515 PolarHBondContact O-N 3.21Å
512	V	93.2	Very high	92.1	Very high	33 Å²	33	35.1 Å²	35.1	20%	0.2	19%	0.187	C	C	.	.	H	α-helix	trans	-61.8	-45	174.2	165.9	0	0	0	0	111.4	F417 V508 L509 S510 L515 R516	F417-V512 HydrophobicContact CE1-CG2 3.76Å; F417-V512 HydrophobicContact CZ-CG2 3.87Å; V508-V512 HydrophobicContact CG1-CG2 4.29Å; V508-V512 WeakPolarHBondContact O-CB 3.44Å; V508-V512 VanDerWaalsContact O-CG2 3.31Å; V508-V512 WeakPolarHBondContact O-CG2 3.21Å; V508-V512 PolarHBondContact O-N 3.14Å; L509-V512 PolarHBondContact O-N 3.33Å; S510-V512 PolarHBondContact O-N 2.89Å; V512-L515 PolarHBondContact O-N 3.07Å; V512-R516 VanDerWaalsContact O-CG 3.29Å; V512-R516 WeakPolarHBondContact O-CG 3.35Å; V512-R516 PolarHBondContact O-N 3.3Å
513	R	93.1	Very high	91.7	Very high	89 Å²	89	30.8 Å²	30.8	34%	0.336	15%	0.154	S	C	.	.	H	α-helix	trans	-62.9	-47.1	177.9	-68.3	166.9	-167.7	173.9	-0	111.3	Q200 L509 S510 R516 A517	Q200-R513 WeakPolarHBondContact O-CG 3.43Å; Q200-R513 PolarHBondContact O-NE 2.89Å; L509-R513 VanDerWaalsContact O-CG 3.29Å; L509-R513 WeakPolarHBondContact O-CG 3.43Å; L509-R513 PolarHBondContact O-N 3.02Å; L509-R513 VanDerWaalsContact O-N 3.12Å; S510-R513 PolarHBondContact O-N 3.34Å; R513-R516 PolarHBondContact O-N 2.96Å; R513-A517 PolarHBondContact O-N 3.39Å; R513-A517 VanDerWaalsContact O-N 3.08Å
514	S	93	Very high	91	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.014	17%	0.17	C	C	.	.	H	α-helix	trans	-59.1	-49.6	175.9	-178.5	0	0	0	0	112	D497 I498 S510 C511 R516 A517 R518	D497-S514 PolarHBondContact OD1-OG 3.22Å; D497-S514 VanDerWaalsContact OD2-CA 3.3Å; D497-S514 WeakPolarHBondContact OD2-CA 3.11Å; D497-S514 WeakPolarHBondContact OD2-CB 3.32Å; D497-S514 PolarHBondContact OD2-OG 3.15Å; I498-S514 VanDerWaalsContact CG1-CB 3.43Å; I498-S514 WeakPolarHBondContact CG1-OG 3.48Å; S510-S514 PolarHBondContact O-N 3.35Å; C511-S514 PolarHBondContact O-N 3.32Å; S514-R516 VanDerWaalsContact C-N 3.33Å; S514-R516 PolarHBondContact O-N 3.48Å; S514-A517 PolarHBondContact O-N 3.05Å; S514-R518 WeakPolarHBondContact O-CG 3.27Å; S514-R518 PolarHBondContact O-N 3.27Å; S514-R518 PolarHBondContact OG-NH1 2.89Å
515	L	91.3	Very high	90.1	Very high	43 Å²	43	39.1 Å²	39.1	23%	0.225	19%	0.193	C	C	.	.	H	α-helix	trans	-57.7	-44.4	179.7	179.5	60.3	0	0	0	111.8	T416 F417 C511 V512 R518 I519	T416-L515 HydrophobicContact CG2-CD2 4.01Å; F417-L515 HydrophobicContact CD1-CB 4.38Å; F417-L515 HydrophobicContact CD1-CD2 4.02Å; F417-L515 HydrophobicContact CE1-CD2 4.2Å; C511-L515 VanDerWaalsContact O-CB 3.27Å; C511-L515 WeakPolarHBondContact O-CB 3.46Å; C511-L515 PolarHBondContact O-N 3.21Å; V512-L515 PolarHBondContact O-N 3.07Å; L515-R518 PolarHBondContact O-N 3.27Å; L515-I519 HydrophobicContact CD1-CD1 4.1Å; L515-I519 HydrophobicContact CD1-CG1 4.31Å; L515-I519 HydrophobicContact CG-CD1 3.95Å; L515-I519 VanDerWaalsContact O-CG1 3.27Å; L515-I519 WeakPolarHBondContact O-CG1 3.34Å; L515-I519 PolarHBondContact O-N 2.97Å
516	R	89.7	Confident	88.6	Confident	58 Å²	58	44.2 Å²	44.2	22%	0.219	23%	0.227	C	C	.	.	H	α-helix	trans	-61.5	-47.2	176.5	-69.1	172.1	79.7	80	-5.9	111.9	M198 G202 V512 R513 S514 R518 I519 V520	M198-R516 PolarHBondContact O-NH2 3.34Å; G202-R516 VanDerWaalsContact CA-NH1 3.35Å; V512-R516 VanDerWaalsContact O-CG 3.29Å; V512-R516 WeakPolarHBondContact O-CG 3.35Å; V512-R516 PolarHBondContact O-N 3.3Å; R513-R516 PolarHBondContact O-N 2.96Å; S514-R516 VanDerWaalsContact C-N 3.33Å; S514-R516 PolarHBondContact O-N 3.48Å; R516-R518 VanDerWaalsContact C-N 3.35Å; R516-R518 PolarHBondContact O-N 2.93Å; R516-I519 PolarHBondContact O-N 3.23Å; R516-V520 WeakPolarHBondContact O-CG2 3.07Å; R516-V520 PolarHBondContact O-N 3.19Å
517	A	90.1	Very high	87	Confident	30 Å²	30	48.8 Å²	48.8	25%	0.248	25%	0.247	C	C	.	.	H	α-helix	trans	-60.4	-43	177.8	0	0	0	0	0	112.1	R513 S514 V520 Q521	R513-A517 PolarHBondContact O-N 3.39Å; R513-A517 VanDerWaalsContact O-N 3.08Å; S514-A517 PolarHBondContact O-N 3.05Å; A517-V520 PolarHBondContact O-N 3.32Å; A517-Q521 VanDerWaalsContact O-CG 3.29Å; A517-Q521 WeakPolarHBondContact O-CG 3.02Å; A517-Q521 PolarHBondContact O-N 3.48Å
518	R	88	Confident	85	Confident	41 Å²	41	49.6 Å²	49.6	16%	0.155	25%	0.253	C	S	.	.	H	α-helix	trans	-67	-38.5	177	-65.5	-176.4	-41.8	-135.5	14.6	112.7	F417 S514 L515 R516 Q521 S522	F417-R518 PolarHBondContact O-NH2 2.03Å; S514-R518 WeakPolarHBondContact O-CG 3.27Å; S514-R518 PolarHBondContact O-N 3.27Å; S514-R518 PolarHBondContact OG-NH1 2.89Å; L515-R518 PolarHBondContact O-N 3.27Å; R516-R518 VanDerWaalsContact C-N 3.35Å; R516-R518 PolarHBondContact O-N 2.93Å; R518-Q521 PolarHBondContact O-N 3.49Å; R518-S522 WeakPolarHBondContact O-CB 3.1Å; R518-S522 PolarHBondContact O-N 3.16Å
519	I	86.1	Confident	83.1	Confident	77 Å²	77	53.8 Å²	53.8	40%	0.395	27%	0.271	S	S	.	.	H	α-helix	trans	-58.6	-50.4	173.2	-72.7	165.3	0	0	0	109.9	L515 R516 Q521 S522 F523	L515-I519 HydrophobicContact CD1-CD1 4.1Å; L515-I519 HydrophobicContact CD1-CG1 4.31Å; L515-I519 HydrophobicContact CG-CD1 3.95Å; L515-I519 VanDerWaalsContact O-CG1 3.27Å; L515-I519 WeakPolarHBondContact O-CG1 3.34Å; L515-I519 PolarHBondContact O-N 2.97Å; R516-I519 PolarHBondContact O-N 3.23Å; I519-Q521 PolarHBondContact O-N 3.31Å; I519-S522 WeakPolarHBondContact O-CB 3.45Å; I519-S522 PolarHBondContact O-N 3.34Å; I519-S522 PolarHBondContact O-OG 3.35Å; I519-F523 HydrophobicContact CG2-CD2 4.08Å; I519-F523 HydrophobicContact CG2-CE2 3.79Å; I519-F523 VanDerWaalsContact O-CD2 3.23Å; I519-F523 WeakPolarHBondContact O-CD2 3.47Å; I519-F523 PolarHBondContact O-N 2.9Å
520	V	89	Confident	81.3	Confident	6 Å²	6	56.7 Å²	56.7	4%	0.036	28%	0.284	C	S	.	.	H	α-helix	trans	-57.2	-49.2	176.1	174.5	0	0	0	0	111.4	L211 F324 M327 R516 A517 S522 F523 L524	L211-V520 HydrophobicContact CD1-CB 4.41Å; L211-V520 HydrophobicContact CD1-CG1 4.47Å; L211-V520 HydrophobicContact CD1-CG2 4.11Å; F324-V520 HydrophobicContact CD1-CG2 4.13Å; F324-V520 VanDerWaalsContact O-CG1 3.3Å; F324-V520 WeakPolarHBondContact O-CG1 3.41Å; M327-V520 HydrophobicContact CB-CG1 4.4Å; R516-V520 WeakPolarHBondContact O-CG2 3.07Å; R516-V520 PolarHBondContact O-N 3.19Å; A517-V520 PolarHBondContact O-N 3.32Å; V520-S522 VanDerWaalsContact C-N 3.28Å; V520-S522 PolarHBondContact O-N 2.75Å; V520-F523 PolarHBondContact O-N 3.2Å; V520-F523 VanDerWaalsContact O-N 3.12Å; V520-L524 HydrophobicContact CG1-CD1 4.47Å; V520-L524 PolarHBondContact O-N 3.42Å
521	Q	87.2	Confident	79.7	Confident	97 Å²	97	59.8 Å²	59.8	45%	0.453	29%	0.293	S	S	.	.	H	α-helix	trans	-58.6	-38.7	177.8	-72.3	171.6	11.3	0	0	112.3	P326 A517 R518 I519 F523 L524 Q525	P326-Q521 HydrophobicContact CG-CG 4.36Å; A517-Q521 VanDerWaalsContact O-CG 3.29Å; A517-Q521 WeakPolarHBondContact O-CG 3.02Å; A517-Q521 PolarHBondContact O-N 3.48Å; R518-Q521 PolarHBondContact O-N 3.49Å; I519-Q521 PolarHBondContact O-N 3.31Å; Q521-F523 PolarHBondContact O-N 3.22Å; Q521-L524 WeakPolarHBondContact O-CB 3.34Å; Q521-L524 PolarHBondContact O-N 3.07Å; Q521-Q525 PolarHBondContact O-N 3.03Å
522	S	81.3	Confident	78.7	Confident	21 Å²	21	61.3 Å²	61.3	15%	0.147	30%	0.299	C	S	.	.	H	α-helix	trans	-63.4	-27.8	178.2	81.7	0	0	0	0	113.5	R518 I519 V520	R518-S522 WeakPolarHBondContact O-CB 3.1Å; R518-S522 PolarHBondContact O-N 3.16Å; I519-S522 WeakPolarHBondContact O-CB 3.45Å; I519-S522 PolarHBondContact O-N 3.34Å; I519-S522 PolarHBondContact O-OG 3.35Å; V520-S522 VanDerWaalsContact C-N 3.28Å; V520-S522 PolarHBondContact O-N 2.75Å
523	F	81.2	Confident	78	Confident	28 Å²	28	66 Å²	66	12%	0.123	32%	0.317	C	S	.	.	H	α-helix	trans	-81.9	-18.8	173.8	-76.5	-67.6	0	0	0	113.1	L211 P221 I519 V520 Q521 Q525 H530	L211-F523 HydrophobicContact CB-CD2 3.51Å; L211-F523 HydrophobicContact CB-CE2 3.45Å; L211-F523 VanDerWaalsContact CB-CE2 3.45Å; L211-F523 HydrophobicContact CB-CG 4.11Å; L211-F523 HydrophobicContact CB-CZ 3.97Å; L211-F523 HydrophobicContact CD1-CB 4.02Å; L211-F523 HydrophobicContact CD1-CD2 3.55Å; L211-F523 HydrophobicContact CD1-CE2 4.3Å; L211-F523 HydrophobicContact CD1-CG 4.04Å; L211-F523 HydrophobicContact CG-CD2 4.15Å; P221-F523 HydrophobicContact CB-CB 4.08Å; P221-F523 HydrophobicContact CB-CD1 3.57Å; P221-F523 HydrophobicContact CB-CE1 4.27Å; P221-F523 HydrophobicContact CB-CG 4.11Å; P221-F523 HydrophobicContact CG-CB 4.25Å; P221-F523 HydrophobicContact CG-CD1 4.3Å; I519-F523 HydrophobicContact CG2-CD2 4.08Å; I519-F523 HydrophobicContact CG2-CE2 3.79Å; I519-F523 VanDerWaalsContact O-CD2 3.23Å; I519-F523 WeakPolarHBondContact O-CD2 3.47Å; I519-F523 PolarHBondContact O-N 2.9Å; V520-F523 PolarHBondContact O-N 3.2Å; V520-F523 VanDerWaalsContact O-N 3.12Å; Q521-F523 PolarHBondContact O-N 3.22Å; F523-Q525 VanDerWaalsContact C-N 3.34Å; F523-H530 AromaticContact CD1-CE1 3.23Å; F523-H530 WeakPolarHBondContact CD1-CE1 3.43Å; F523-H530 AromaticContact CD1-ND1 3.43Å; F523-H530 WeakPolarHBondContact CD1-ND1 3.39Å; F523-H530 AromaticContact CD1-NE2 3.96Å; F523-H530 AromaticContact CE1-CD2 3.89Å; F523-H530 AromaticContact CE1-CE1 3.32Å; F523-H530 WeakPolarHBondContact CE1-CE1 3.47Å; F523-H530 AromaticContact CE1-CG 3.75Å; F523-H530 AromaticContact CE1-ND1 3.41Å; F523-H530 WeakPolarHBondContact CE1-ND1 3.44Å; F523-H530 AromaticContact CE1-NE2 3.63Å
524	L	80.9	Confident	77.6	Confident	84 Å²	84	63.1 Å²	63.1	44%	0.44	31%	0.309	S	S	.	.	H	α-helix	trans	-83.3	-10.3	173.6	-62.8	175.2	0	0	0	112.8	P326 M327 V520 Q521	P326-L524 HydrophobicContact CG-CD1 4.23Å; M327-L524 HydrophobicContact CE-CD2 3.8Å; M327-L524 HydrophobicContact CG-CD2 4.39Å; V520-L524 HydrophobicContact CG1-CD1 4.47Å; V520-L524 PolarHBondContact O-N 3.42Å; Q521-L524 WeakPolarHBondContact O-CB 3.34Å; Q521-L524 PolarHBondContact O-N 3.07Å
525	Q	76.3	Confident	77.5	Confident	112 Å²	112	64.2 Å²	64.2	52%	0.523	32%	0.317	S	S	.	.	S	Bend	trans	-84.7	141.3	177.9	-65.4	-57.6	-39	0	0	111.7	Q521 F523 H527	Q521-Q525 PolarHBondContact O-N 3.03Å; F523-Q525 VanDerWaalsContact C-N 3.34Å; Q525-H527 PolarHBondContact O-N 3.26Å; Q525-H527 VanDerWaalsContact O-N 3.11Å
526	P	64.8	Low	77.6	Confident	110 Å²	110	62.2 Å²	62.2	71%	0.714	31%	0.307	S	S	*	.	S	Bend	trans	-67.5	-11.8	178.6	27.5	-34.8	0	0	0	113.7
527	H	63.4	Low	77.9	Confident	148 Å²	148	60.4 Å²	60.4	69%	0.685	30%	0.3	S	S	*	.	S	Bend	trans	-109.1	105.3	173.7	-66.9	86.3	0	0	0	109	Q525 Q529	Q525-H527 PolarHBondContact O-N 3.26Å; Q525-H527 VanDerWaalsContact O-N 3.11Å; H527-Q529 PolarHBondContact O-N 2.86Å
528	P	54.3	Low	78.1	Confident	20 Å²	20	61.5 Å²	61.5	13%	0.13	30%	0.302	C	S	.	.			trans	-68.9	93.8	-177.2	26.7	-34.4	0	0	0	110.9	H530 R531	P528-H530 WeakPolarHBondContact CB-CE1 3.44Å; P528-H530 WeakPolarHBondContact CB-NE2 3.46Å; P528-H530 PolarHBondContact O-N 2.61Å; P528-H530 VanDerWaalsContact O-N 3.14Å; P528-R531 HydrophobicContact CG-CG 4.3Å; P528-R531 WeakPolarHBondContact O-CG 3.43Å; P528-R531 PolarHBondContact O-N 3.42Å
529	Q	55.3	Low	78.4	Confident	103 Å²	103	60.4 Å²	60.4	48%	0.481	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-60.8	-21.5	175.8	-67.2	-179.6	-6.8	0	0	112.1	H527 R531	H527-Q529 PolarHBondContact O-N 2.86Å; Q529-R531 PolarHBondContact O-N 3.13Å; Q529-R531 VanDerWaalsContact O-N 3.1Å
530	H	56.9	Low	78.6	Confident	70 Å²	70	60.5 Å²	60.5	32%	0.324	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-70.1	9.1	176.3	58.6	-103.9	0	0	0	115.7	F523 P528 W532	F523-H530 AromaticContact CD1-CE1 3.23Å; F523-H530 WeakPolarHBondContact CD1-CE1 3.43Å; F523-H530 AromaticContact CD1-ND1 3.43Å; F523-H530 WeakPolarHBondContact CD1-ND1 3.39Å; F523-H530 AromaticContact CD1-NE2 3.96Å; F523-H530 AromaticContact CE1-CD2 3.89Å; F523-H530 AromaticContact CE1-CE1 3.32Å; F523-H530 WeakPolarHBondContact CE1-CE1 3.47Å; F523-H530 AromaticContact CE1-CG 3.75Å; F523-H530 AromaticContact CE1-ND1 3.41Å; F523-H530 WeakPolarHBondContact CE1-ND1 3.44Å; F523-H530 AromaticContact CE1-NE2 3.63Å; P528-H530 WeakPolarHBondContact CB-CE1 3.44Å; P528-H530 WeakPolarHBondContact CB-NE2 3.46Å; P528-H530 PolarHBondContact O-N 2.61Å; P528-H530 VanDerWaalsContact O-N 3.14Å; H530-W532 VanDerWaalsContact C-N 3.28Å; H530-W532 PolarHBondContact O-N 3.38Å
531	R	63.4	Low	78.8	Confident	83 Å²	83	60.6 Å²	60.6	31%	0.313	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-66.3	-28.3	171.8	-76.4	-178.9	-179.6	162.1	10.2	113.6	P528 Q529 Y542 D547	P528-R531 HydrophobicContact CG-CG 4.3Å; P528-R531 WeakPolarHBondContact O-CG 3.43Å; P528-R531 PolarHBondContact O-N 3.42Å; Q529-R531 PolarHBondContact O-N 3.13Å; Q529-R531 VanDerWaalsContact O-N 3.1Å; R531-Y542 PolarHBondContact O-OH 2.87Å; R531-D547 HydrophobicContact CG-CB 4.42Å; R531-D547 WeakPolarHBondContact CG-OD1 3.38Å; R531-D547 IonicContact NE-OD1 3.71Å; R531-D547 PolarHBondContact NE-OD1 2.94Å
532	W	74.4	Confident	79.1	Confident	33 Å²	33	57.2 Å²	57.2	13%	0.125	29%	0.285	C	S	.	.			trans	-80.4	118.6	175.1	-81	68.3	0	0	0	109.9	E478 H530 Y542 V551 P553	E478-W532 HydrophobicContact CB-CZ2 3.75Å; E478-W532 HydrophobicContact CG-CZ2 4.37Å; E478-W532 PolarHBondContact OE1-NE1 2.59Å; H530-W532 VanDerWaalsContact C-N 3.28Å; H530-W532 PolarHBondContact O-N 3.38Å; W532-Y542 VanDerWaalsContact CA-OH 3.3Å; W532-Y542 WeakPolarHBondContact CA-OH 3.28Å; W532-V551 HydrophobicContact CD2-CG1 3.91Å; W532-V551 HydrophobicContact CE3-CG1 3.73Å; W532-V551 HydrophobicContact CH2-CG1 3.43Å; W532-V551 VanDerWaalsContact CH2-CG1 3.43Å; W532-V551 HydrophobicContact CZ2-CG1 3.64Å; W532-V551 HydrophobicContact CZ3-CG1 3.49Å; W532-V551 VanDerWaalsContact CZ3-CG1 3.49Å; W532-P553 HydrophobicContact CZ3-CB 4.41Å; W532-P553 HydrophobicContact CZ3-CG 4.17Å
533	K	77.8	Confident	79.7	Confident	132 Å²	132	57.1 Å²	57.1	57%	0.574	28%	0.282	S	S	*	.			trans	-96.9	-5.3	-178.5	-61.8	179.4	-175.2	169.5	0	113.2	Y542 S544	K533-Y542 HydrophobicContact CB-CE1 4.3Å; K533-Y542 HydrophobicContact CB-CE2 4.29Å; K533-Y542 HydrophobicContact CD-CD2 4.36Å; K533-Y542 HydrophobicContact CD-CE2 3.87Å; K533-Y542 HydrophobicContact CG-CE2 4.09Å; K533-Y542 PolarHBondContact N-OH 3.21Å; K533-S544 PolarHBondContact NZ-OG 3.46Å
534	V	85.8	Confident	80	Confident	27 Å²	27	55.8 Å²	55.8	16%	0.164	28%	0.276	C	S	.	.	S	Bend	trans	-139.3	153.4	-175.8	-54.3	0	0	0	0	108.7	D538 Y542 P553	V534-D538 HydrophobicContact CB-CB 4.23Å; V534-Y542 HydrophobicContact CG1-CD1 4.35Å; V534-Y542 HydrophobicContact CG1-CE1 4.26Å; V534-Y542 HydrophobicContact CG2-CD1 4.39Å; V534-Y542 HydrophobicContact CG2-CE1 3.91Å; V534-P553 HydrophobicContact CG2-CG 3.56Å
535	S	90.9	Very high	80.2	Confident	26 Å²	26	57.4 Å²	57.4	18%	0.182	29%	0.289	C	S	.	.			trans	-74.1	151.1	175.6	-60.1	0	0	0	0	111	W537 D538	S535-W537 VanDerWaalsContact CB-CZ2 3.47Å; S535-W537 PolarHBondContact O-N 3.05Å; S535-W537 WeakPolarHBondContact OG-CZ2 3.37Å; S535-D538 PolarHBondContact N-OD2 3.45Å; S535-D538 WeakPolarHBondContact O-CB 3.12Å; S535-D538 PolarHBondContact O-N 3.2Å
536	P	93.3	Very high	80.4	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.006	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-18.6	179.4	-31.4	40.4	0	0	0	115.8	A423 V427 A481 A554 G555	A423-P536 HydrophobicContact CB-CG 3.86Å; V427-P536 HydrophobicContact CG2-CB 4.01Å; A481-P536 HydrophobicContact CB-CB 3.85Å; A481-P536 HydrophobicContact CB-CG 3.88Å; P536-A554 CarbonylContact O-C 3.47Å; P536-A554 WeakPolarHBondContact O-CB 3.41Å; P536-A554 PolarHBondContact O-N 2.84Å; P536-A554 VanDerWaalsContact O-N 3.09Å; P536-G555 PolarHBondContact O-N 2.89Å
537	W	95.3	Very high	81.2	Confident	19 Å²	19	50.3 Å²	50.3	7%	0.072	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-2.3	176.2	56.9	70.6	0	0	0	114.8	N125 L129 E419 L422 A423 F426 S535 G555	N125-W537 HydrophobicContact CB-CB 4.45Å; N125-W537 PolarHBondContact ND2-O 3.49Å; L129-W537 HydrophobicContact CD1-CB 4.38Å; L129-W537 HydrophobicContact CD1-CD2 3.72Å; L129-W537 HydrophobicContact CD1-CE3 4.29Å; L129-W537 HydrophobicContact CD1-CG 3.76Å; L129-W537 HydrophobicContact CD2-CD2 4.39Å; L129-W537 HydrophobicContact CD2-CE3 4.16Å; E419-W537 HydrophobicContact CB-CH2 4.32Å; E419-W537 HydrophobicContact CG-CH2 3.65Å; E419-W537 HydrophobicContact CG-CZ2 4.37Å; E419-W537 HydrophobicContact CG-CZ3 4.28Å; L422-W537 HydrophobicContact CB-CH2 3.99Å; L422-W537 HydrophobicContact CB-CZ3 3.72Å; A423-W537 HydrophobicContact CB-CZ3 4.29Å; F426-W537 HydrophobicContact CB-CE3 4.34Å; F426-W537 HydrophobicContact CD1-CB 3.74Å; F426-W537 HydrophobicContact CD2-CB 3.73Å; F426-W537 HydrophobicContact CE1-CB 3.64Å; F426-W537 HydrophobicContact CE2-CB 3.62Å; F426-W537 HydrophobicContact CG-CB 3.79Å; F426-W537 HydrophobicContact CZ-CB 3.58Å; S535-W537 VanDerWaalsContact CB-CZ2 3.47Å; S535-W537 PolarHBondContact O-N 3.05Å; S535-W537 WeakPolarHBondContact OG-CZ2 3.37Å; W537-G555 WeakPolarHBondContact O-CA 3.42Å
538	D	94.1	Very high	82.5	Confident	54 Å²	54	45.1 Å²	45.1	29%	0.289	23%	0.228	S	C	.	.			trans	-71.5	147.8	178.4	-69.7	-29.7	0	0	0	111.6	V534 S535 N540 P553 G555 L556	V534-D538 HydrophobicContact CB-CB 4.23Å; S535-D538 PolarHBondContact N-OD2 3.45Å; S535-D538 WeakPolarHBondContact O-CB 3.12Å; S535-D538 PolarHBondContact O-N 3.2Å; D538-N540 PolarHBondContact O-N 2.85Å; D538-P553 WeakPolarHBondContact O-CB 3.39Å; D538-G555 CarbonylContact O-C 3.47Å; D538-G555 WeakPolarHBondContact O-CA 3.26Å; D538-L556 PolarHBondContact O-N 3.43Å
539	V	93.9	Very high	84.2	Confident	18 Å²	18	44.4 Å²	44.4	11%	0.109	22%	0.224	C	C	.	.	S	Bend	trans	-99.8	72.5	179.5	-167.5	0	0	0	0	108.4	F118 L121 A122 N125 L556 F561	F118-V539 HydrophobicContact CB-CG1 4.37Å; F118-V539 HydrophobicContact CD1-CB 4.43Å; F118-V539 HydrophobicContact CD1-CG1 3.65Å; F118-V539 WeakPolarHBondContact CD1-O 3.42Å; F118-V539 HydrophobicContact CE1-CG1 4.31Å; F118-V539 HydrophobicContact CG-CG1 4.27Å; L121-V539 HydrophobicContact CB-CG1 4.27Å; L121-V539 HydrophobicContact CB-CG2 4.01Å; L121-V539 HydrophobicContact CD2-CG1 3.95Å; L121-V539 HydrophobicContact CD2-CG2 4.22Å; L121-V539 HydrophobicContact CG-CG1 4.27Å; L121-V539 HydrophobicContact CG-CG2 3.77Å; A122-V539 HydrophobicContact CB-CB 4.47Å; A122-V539 HydrophobicContact CB-CG2 3.91Å; N125-V539 WeakPolarHBondContact ND2-CG2 3.39Å; V539-L556 HydrophobicContact CG1-CD1 3.81Å; V539-F561 HydrophobicContact CG1-CE2 4.11Å
540	N	90.9	Very high	86.1	Confident	79 Å²	79	39.5 Å²	39.5	42%	0.422	20%	0.201	S	C	.	.			trans	-147.7	173	178.1	-157.4	16.2	0	0	0	109.9	D538 P553 L556	D538-N540 PolarHBondContact O-N 2.85Å; N540-P553 WeakPolarHBondContact O-CD 3.27Å; N540-L556 WeakPolarHBondContact O-CD2 3.14Å
541	A	93.8	Very high	87.8	Confident	7 Å²	7	36.2 Å²	36.2	6%	0.058	19%	0.186	C	C	.	.			trans	-137.5	164.5	161.3	0	0	0	0	0	108.2	V551 F552 L556 I578 E582	A541-V551 WeakPolarHBondContact CA-O 3.46Å; A541-F552 HydrophobicContact CB-CD1 3.74Å; A541-F552 HydrophobicContact CB-CE1 3.91Å; A541-L556 HydrophobicContact CB-CD2 3.92Å; A541-I578 HydrophobicContact CB-CG2 4.17Å; A541-E582 HydrophobicContact CB-CG 3.75Å; A541-E582 WeakPolarHBondContact CB-OE1 3.36Å
542	Y	93.2	Very high	89.4	Confident	26 Å²	26	32.3 Å²	32.3	10%	0.102	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	157.9	171.1	70.1	-81	0	0	0	112.6	R531 W532 K533 V534 V551 E582	R531-Y542 PolarHBondContact O-OH 2.87Å; W532-Y542 VanDerWaalsContact CA-OH 3.3Å; W532-Y542 WeakPolarHBondContact CA-OH 3.28Å; K533-Y542 HydrophobicContact CB-CE1 4.3Å; K533-Y542 HydrophobicContact CB-CE2 4.29Å; K533-Y542 HydrophobicContact CD-CD2 4.36Å; K533-Y542 HydrophobicContact CD-CE2 3.87Å; K533-Y542 HydrophobicContact CG-CE2 4.09Å; K533-Y542 PolarHBondContact N-OH 3.21Å; V534-Y542 HydrophobicContact CG1-CD1 4.35Å; V534-Y542 HydrophobicContact CG1-CE1 4.26Å; V534-Y542 HydrophobicContact CG2-CD1 4.39Å; V534-Y542 HydrophobicContact CG2-CE1 3.91Å; Y542-V551 HydrophobicContact CD1-CB 4.01Å; Y542-V551 HydrophobicContact CE1-CB 3.59Å; Y542-V551 HydrophobicContact CE1-CG1 3.83Å; Y542-V551 HydrophobicContact CE1-CG2 3.9Å; Y542-V551 HydrophobicContact CE2-CB 4.45Å; Y542-V551 HydrophobicContact CE2-CG2 3.96Å; Y542-V551 PolarHBondContact N-O 3.27Å; Y542-V551 PolarHBondContact O-N 3.42Å; Y542-E582 WeakPolarHBondContact CA-OE2 3.31Å; Y542-E582 PolarHBondContact N-OE2 3.44Å
543	Y	93.2	Very high	90.4	Very high	20 Å²	20	30.7 Å²	30.7	8%	0.078	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	129.9	162.6	171	-112	0	0	0	111.3	L475 V545 H548 V549 E582 H585 I586	L475-Y543 HydrophobicContact CD1-CD2 4.07Å; L475-Y543 HydrophobicContact CD1-CE2 3.73Å; Y543-V545 HydrophobicContact CD1-CG2 4.1Å; Y543-V545 HydrophobicContact CE1-CB 4.27Å; Y543-V545 HydrophobicContact CE1-CG2 3.82Å; Y543-H548 AromaticContact CE2-ND1 3.6Å; Y543-H548 AromaticContact CZ-ND1 3.67Å; Y543-H548 PolarHBondContact OH-ND1 3.33Å; Y543-V549 WeakPolarHBondContact CD2-O 3.02Å; Y543-E582 PolarHBondContact N-OE2 2.72Å; Y543-H585 HydrophobicContact CD1-CB 3.73Å; Y543-H585 HydrophobicContact CG-CB 4.11Å; Y543-I586 HydrophobicContact CD1-CG1 4.45Å; Y543-I586 HydrophobicContact CD2-CG1 3.99Å; Y543-I586 HydrophobicContact CE1-CG1 4.19Å; Y543-I586 HydrophobicContact CE2-CG1 3.73Å; Y543-I586 HydrophobicContact CG-CG1 4.35Å
544	S	88.3	Confident	91.2	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	110.5	171.2	-156.8	0	0	0	0	110.3	K533 S546 D547 H548 V549	K533-S544 PolarHBondContact NZ-OG 3.46Å; S544-S546 VanDerWaalsContact C-N 3.3Å; S544-S546 PolarHBondContact O-N 3.03Å; S544-S546 PolarHBondContact OG-OG 3.13Å; S544-D547 PolarHBondContact O-N 3.07Å; S544-D547 PolarHBondContact OG-OD2 3.24Å; S544-H548 WeakPolarHBondContact O-CA 3.4Å; S544-H548 PolarHBondContact O-N 2.92Å; S544-V549 PolarHBondContact N-O 3.28Å
545	V	85.2	Confident	91.7	Very high	117 Å²	117	23.1 Å²	23.1	71%	0.709	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-39.7	177.3	-176.2	0	0	0	0	112	Y543	Y543-V545 HydrophobicContact CD1-CG2 4.1Å; Y543-V545 HydrophobicContact CE1-CB 4.27Å; Y543-V545 HydrophobicContact CE1-CG2 3.82Å
546	S	79.9	Confident	92	Very high	52 Å²	52	22.2 Å²	22.2	36%	0.364	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-36.8	-177.5	42.1	0	0	0	0	113.9	H219 S544	H219-S546 PolarHBondContact CE1-O 3.32Å; H219-S546 VanDerWaalsContact CE1-O 3.24Å; S544-S546 VanDerWaalsContact C-N 3.3Å; S544-S546 PolarHBondContact O-N 3.03Å; S544-S546 PolarHBondContact OG-OG 3.13Å
547	D	81.4	Confident	92.1	Very high	22 Å²	22	22.4 Å²	22.4	12%	0.118	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-4.1	-171.5	-50.2	-86.7	0	0	0	112.6	H219 R531 S544 V549	H219-D547 IonicContact CE1-OD1 2.68Å; H219-D547 PolarHBondContact CE1-OD1 3.49Å; H219-D547 IonicContact ND1-OD1 3.06Å; H219-D547 PolarHBondContact ND1-OD1 3.37Å; R531-D547 HydrophobicContact CG-CB 4.42Å; R531-D547 WeakPolarHBondContact CG-OD1 3.38Å; R531-D547 IonicContact NE-OD1 3.71Å; R531-D547 PolarHBondContact NE-OD1 2.94Å; S544-D547 PolarHBondContact O-N 3.07Å; S544-D547 PolarHBondContact OG-OD2 3.24Å; D547-V549 VanDerWaalsContact C-N 3.27Å; D547-V549 HydrophobicContact CB-CG1 3.91Å; D547-V549 PolarHBondContact O-N 2.95Å
548	H	90.4	Very high	92.2	Very high	38 Å²	38	22 Å²	22	18%	0.176	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	47	50.2	-175.1	-165.9	43.3	0	0	0	112.7	K471 L475 Q476 Y543 S544	K471-H548 PolarHBondContact O-CE1 3.47Å; K471-H548 PolarHBondContact O-NE2 3.4Å; L475-H548 WeakPolarHBondContact CA-NE2 3.17Å; L475-H548 PolarHBondContact N-NE2 3.27Å; Q476-H548 PolarHBondContact N-O 3.49Å; Q476-H548 VanDerWaalsContact N-O 3.07Å; Y543-H548 AromaticContact CE2-ND1 3.6Å; Y543-H548 AromaticContact CZ-ND1 3.67Å; Y543-H548 PolarHBondContact OH-ND1 3.33Å; S544-H548 WeakPolarHBondContact O-CA 3.4Å; S544-H548 PolarHBondContact O-N 2.92Å
549	V	90.9	Very high	92.2	Very high	5 Å²	5	21.1 Å²	21.1	3%	0.03	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	140.7	-179.2	69.3	0	0	0	0	110.6	Q476 E478 Y543 S544 D547 V551	Q476-V549 HydrophobicContact CB-CB 4.02Å; Q476-V549 HydrophobicContact CB-CG2 3.81Å; Q476-V549 CarbonylContact O-C 3.51Å; Q476-V549 VanDerWaalsContact O-CA 3.3Å; Q476-V549 WeakPolarHBondContact O-CA 3.37Å; Q476-V549 WeakPolarHBondContact O-CG2 3.42Å; E478-V549 HydrophobicContact CB-CG2 4.13Å; E478-V549 HydrophobicContact CG-CG2 3.68Å; Y543-V549 WeakPolarHBondContact CD2-O 3.02Å; S544-V549 PolarHBondContact N-O 3.28Å; D547-V549 VanDerWaalsContact C-N 3.27Å; D547-V549 HydrophobicContact CB-CG1 3.91Å; D547-V549 PolarHBondContact O-N 2.95Å; V549-V551 HydrophobicContact CG1-CG2 4.16Å; V549-V551 HydrophobicContact CG2-CG2 4.3Å
550	V	94.5	Very high	92.1	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	135.2	168.4	67.9	0	0	0	0	110	F443 L475 Q476 V477 E478 F552 E582	F443-V550 HydrophobicContact CE2-CG1 3.79Å; F443-V550 HydrophobicContact CZ-CG1 3.82Å; L475-V550 HydrophobicContact CD1-CB 4.48Å; L475-V550 HydrophobicContact CD2-CB 4.4Å; L475-V550 HydrophobicContact CD2-CG1 3.81Å; L475-V550 HydrophobicContact CG-CG1 4.28Å; Q476-V550 PolarHBondContact O-N 3.2Å; V477-V550 HydrophobicContact CB-CG1 4.13Å; V477-V550 HydrophobicContact CG2-CG1 4.1Å; E478-V550 PolarHBondContact N-O 3.09Å; V550-F552 HydrophobicContact CB-CE2 4.32Å; V550-F552 HydrophobicContact CG1-CE2 3.85Å; V550-F552 HydrophobicContact CG2-CD2 4.45Å; V550-F552 HydrophobicContact CG2-CE1 4.42Å; V550-F552 HydrophobicContact CG2-CE2 3.57Å; V550-F552 HydrophobicContact CG2-CZ 3.54Å; V550-E582 HydrophobicContact CG2-CB 3.68Å; V550-E582 HydrophobicContact CG2-CG 4.44Å
551	V	93.8	Very high	92.2	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.006	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	122.7	-169.1	-172.7	0	0	0	0	110.8	E478 W532 A541 Y542 V549	E478-V551 HydrophobicContact CB-CB 4.46Å; E478-V551 HydrophobicContact CB-CG1 4.3Å; E478-V551 HydrophobicContact CB-CG2 4.13Å; W532-V551 HydrophobicContact CD2-CG1 3.91Å; W532-V551 HydrophobicContact CE3-CG1 3.73Å; W532-V551 HydrophobicContact CH2-CG1 3.43Å; W532-V551 VanDerWaalsContact CH2-CG1 3.43Å; W532-V551 HydrophobicContact CZ2-CG1 3.64Å; W532-V551 HydrophobicContact CZ3-CG1 3.49Å; W532-V551 VanDerWaalsContact CZ3-CG1 3.49Å; A541-V551 WeakPolarHBondContact CA-O 3.46Å; Y542-V551 HydrophobicContact CD1-CB 4.01Å; Y542-V551 HydrophobicContact CE1-CB 3.59Å; Y542-V551 HydrophobicContact CE1-CG1 3.83Å; Y542-V551 HydrophobicContact CE1-CG2 3.9Å; Y542-V551 HydrophobicContact CE2-CB 4.45Å; Y542-V551 HydrophobicContact CE2-CG2 3.96Å; Y542-V551 PolarHBondContact N-O 3.27Å; Y542-V551 PolarHBondContact O-N 3.42Å; V549-V551 HydrophobicContact CG1-CG2 4.16Å; V549-V551 HydrophobicContact CG2-CG2 4.3Å
552	F	95.5	Very high	92.4	Very high	1 Å²	1	17.6 Å²	17.6	0%	0.004	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	91	176	-59.7	-75.9	0	0	0	110.7	F443 E478 M479 G480 A541 V550 L557 M579 E582	F443-F552 AromaticContact CD2-CE2 3.73Å; F443-F552 HydrophobicContact CD2-CE2 3.73Å; F443-F552 HydrophobicContact CD2-CZ 4.34Å; F443-F552 AromaticContact CE2-CE2 3.77Å; F443-F552 HydrophobicContact CE2-CE2 3.77Å; F443-F552 HydrophobicContact CE2-CZ 4.37Å; E478-F552 PolarHBondContact O-N 3.06Å; M479-F552 HydrophobicContact CE-CD2 4.43Å; M479-F552 HydrophobicContact SD-CB 4.13Å; M479-F552 HydrophobicContact SD-CD2 4.42Å; G480-F552 PolarHBondContact N-O 3.48Å; A541-F552 HydrophobicContact CB-CD1 3.74Å; A541-F552 HydrophobicContact CB-CE1 3.91Å; V550-F552 HydrophobicContact CB-CE2 4.32Å; V550-F552 HydrophobicContact CG1-CE2 3.85Å; V550-F552 HydrophobicContact CG2-CD2 4.45Å; V550-F552 HydrophobicContact CG2-CE1 4.42Å; V550-F552 HydrophobicContact CG2-CE2 3.57Å; V550-F552 HydrophobicContact CG2-CZ 3.54Å; F552-L557 HydrophobicContact CB-CD1 4.03Å; F552-L557 HydrophobicContact CB-CD2 4.46Å; F552-L557 HydrophobicContact CB-CG 4.41Å; F552-L557 WeakPolarHBondContact O-CD1 3.36Å; F552-M579 HydrophobicContact CD1-CG 4.27Å; F552-M579 HydrophobicContact CE1-CB 4.27Å; F552-M579 HydrophobicContact CE1-CG 3.74Å; F552-M579 HydrophobicContact CE2-CG 4.21Å; F552-M579 HydrophobicContact CZ-CB 4.03Å; F552-M579 HydrophobicContact CZ-CG 3.72Å; F552-E582 HydrophobicContact CE1-CB 4.18Å; F552-E582 HydrophobicContact CE1-CG 3.75Å; F552-E582 HydrophobicContact CZ-CB 4Å; F552-E582 HydrophobicContact CZ-CG 4.09Å
553	P	95.5	Very high	92.6	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54	148.1	176.2	-25.7	33.2	0	0	0	114.7	G480 W532 V534 D538 N540 G555 L556 L557	G480-P553 CarbonylContact O-C 3.53Å; G480-P553 WeakPolarHBondContact O-CA 3.47Å; W532-P553 HydrophobicContact CZ3-CB 4.41Å; W532-P553 HydrophobicContact CZ3-CG 4.17Å; V534-P553 HydrophobicContact CG2-CG 3.56Å; D538-P553 WeakPolarHBondContact O-CB 3.39Å; N540-P553 WeakPolarHBondContact O-CD 3.27Å; P553-G555 PolarHBondContact O-N 2.84Å; P553-L556 PolarHBondContact O-N 3.03Å; P553-L556 VanDerWaalsContact O-N 3.08Å; P553-L557 PolarHBondContact O-N 2.74Å
554	A	95.9	Very high	92.7	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-28.7	173.5	0	0	0	0	0	111.9	F426 V427 F431 G480 P536 L556 L557 Q558	F426-A554 HydrophobicContact CD1-CB 4.41Å; F426-A554 HydrophobicContact CE1-CB 3.98Å; V427-A554 HydrophobicContact CG2-CB 4.29Å; F431-A554 HydrophobicContact CB-CB 3.57Å; F431-A554 HydrophobicContact CD1-CB 4.36Å; F431-A554 HydrophobicContact CD2-CB 4.23Å; F431-A554 HydrophobicContact CG-CB 3.81Å; G480-A554 WeakPolarHBondContact O-CB 3.19Å; G480-A554 PolarHBondContact O-N 3.27Å; P536-A554 CarbonylContact O-C 3.47Å; P536-A554 WeakPolarHBondContact O-CB 3.41Å; P536-A554 PolarHBondContact O-N 2.84Å; P536-A554 VanDerWaalsContact O-N 3.09Å; A554-L556 VanDerWaalsContact C-N 3.3Å; A554-L556 PolarHBondContact O-N 3.44Å; A554-L557 PolarHBondContact O-N 3.04Å; A554-Q558 PolarHBondContact O-NE2 3.22Å
555	G	96.6	Very high	93	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-38.9	174.3	0	0	0	0	0	113.4	L121 N125 P536 W537 D538 P553 Q558	L121-G555 VanDerWaalsContact CD2-O 3.31Å; L121-G555 WeakPolarHBondContact CD2-O 3.48Å; N125-G555 WeakPolarHBondContact ND2-CA 3.28Å; N125-G555 PolarHBondContact ND2-O 3.44Å; P536-G555 PolarHBondContact O-N 2.89Å; W537-G555 WeakPolarHBondContact O-CA 3.42Å; D538-G555 CarbonylContact O-C 3.47Å; D538-G555 WeakPolarHBondContact O-CA 3.26Å; P553-G555 PolarHBondContact O-N 2.84Å; G555-Q558 PolarHBondContact O-NE2 3.18Å
556	L	95.9	Very high	93.6	Very high	6 Å²	6	17.3 Å²	17.3	3%	0.031	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-35.6	177.5	178.5	65.6	0	0	0	113.3	F118 D538 V539 N540 A541 P553 A554 Q558 F561 I578	F118-L556 HydrophobicContact CE1-CD1 4.02Å; D538-L556 PolarHBondContact O-N 3.43Å; V539-L556 HydrophobicContact CG1-CD1 3.81Å; N540-L556 WeakPolarHBondContact O-CD2 3.14Å; A541-L556 HydrophobicContact CB-CD2 3.92Å; P553-L556 PolarHBondContact O-N 3.03Å; P553-L556 VanDerWaalsContact O-N 3.08Å; A554-L556 VanDerWaalsContact C-N 3.3Å; A554-L556 PolarHBondContact O-N 3.44Å; L556-Q558 PolarHBondContact O-N 3.34Å; L556-F561 HydrophobicContact CD1-CB 4.45Å; L556-F561 HydrophobicContact CD1-CD1 4.33Å; L556-F561 HydrophobicContact CD1-CD2 4.15Å; L556-F561 HydrophobicContact CD1-CG 4.04Å; L556-I578 HydrophobicContact CD1-CD1 4.3Å; L556-I578 HydrophobicContact CD2-CG2 4.18Å
557	L	96.7	Very high	94.4	Very high	5 Å²	5	14.8 Å²	14.8	3%	0.026	9%	0.089	C	C	.	.	S	Bend	trans	-79.1	52.1	-171.4	-63.6	173.2	0	0	0	113.4	F431 A439 M479 F552 P553 A554 F562 M579	F431-L557 HydrophobicContact CD2-CB 4.03Å; F431-L557 HydrophobicContact CD2-CD1 4.42Å; F431-L557 HydrophobicContact CE2-CB 3.58Å; F431-L557 HydrophobicContact CE2-CD1 3.43Å; F431-L557 VanDerWaalsContact CE2-CD1 3.43Å; F431-L557 HydrophobicContact CE2-CG 4.15Å; F431-L557 HydrophobicContact CZ-CD1 3.58Å; A439-L557 HydrophobicContact CB-CD1 4.17Å; A439-L557 HydrophobicContact CB-CD2 4.35Å; M479-L557 HydrophobicContact CG-CD1 4.13Å; M479-L557 HydrophobicContact SD-CD1 3.61Å; F552-L557 HydrophobicContact CB-CD1 4.03Å; F552-L557 HydrophobicContact CB-CD2 4.46Å; F552-L557 HydrophobicContact CB-CG 4.41Å; F552-L557 WeakPolarHBondContact O-CD1 3.36Å; P553-L557 PolarHBondContact O-N 2.74Å; A554-L557 PolarHBondContact O-N 3.04Å; L557-F562 HydrophobicContact CB-CD1 4.39Å; L557-M579 HydrophobicContact CD2-CE 4.04Å
558	Q	95.7	Very high	95.1	Very high	11 Å²	11	16.8 Å²	16.8	5%	0.051	10%	0.095	C	C	.	.	S	Bend	trans	-142	165.4	-175.5	-69.6	-179.3	79.9	0	0	111.8	L121 N125 A554 G555 L556 F561 F562	L121-Q558 HydrophobicContact CD1-CB 4.13Å; L121-Q558 HydrophobicContact CD2-CB 4.18Å; N125-Q558 PolarHBondContact OD1-NE2 2.74Å; A554-Q558 PolarHBondContact O-NE2 3.22Å; G555-Q558 PolarHBondContact O-NE2 3.18Å; L556-Q558 PolarHBondContact O-N 3.34Å; Q558-F561 PolarHBondContact O-N 3.26Å; Q558-F562 CarbonylContact C-O 3.45Å; Q558-F562 WeakPolarHBondContact CA-O 3.48Å; Q558-F562 PolarHBondContact O-N 2.68Å
559	P	94.2	Very high	95.4	Very high	35 Å²	35	15 Å²	15	23%	0.227	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	133.8	168.3	-32.8	39.1	0	0	0	113	V81 F562 H563 Y566	V81-P559 HydrophobicContact CG1-CG 3.83Å; P559-F562 VanDerWaalsContact CD-O 3.29Å; P559-F562 WeakPolarHBondContact CD-O 3.47Å; P559-F562 VanDerWaalsContact N-O 3.09Å; P559-H563 HydrophobicContact CG-CB 4.24Å; P559-Y566 VanDerWaalsContact CB-OH 3.29Å; P559-Y566 WeakPolarHBondContact CB-OH 3.3Å
560	P	92.4	Very high	95.7	Very high	25 Å²	25	14.8 Å²	14.8	16%	0.162	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	cis	-88.4	-7.2	7.5	34.7	-36.3	0	0	0	115.5	L85	L85-P560 HydrophobicContact CD1-CB 3.86Å
561	F	94.4	Very high	95.9	Very high	3 Å²	3	15.5 Å²	15.5	1%	0.013	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-38.5	-172.7	-55.8	-82.7	0	0	0	113.5	F118 L121 V539 L556 Q558 A574 A575 I578 V680	F118-F561 HydrophobicContact CB-CZ 4.49Å; F118-F561 HydrophobicContact CD1-CZ 4.24Å; F118-F561 AromaticContact CD2-CE1 3.7Å; F118-F561 HydrophobicContact CD2-CE1 3.7Å; F118-F561 AromaticContact CD2-CZ 3.51Å; F118-F561 HydrophobicContact CD2-CZ 3.51Å; F118-F561 HydrophobicContact CE1-CE1 4.34Å; F118-F561 HydrophobicContact CE1-CZ 4.39Å; F118-F561 HydrophobicContact CE2-CD1 4.45Å; F118-F561 AromaticContact CE2-CE1 3.38Å; F118-F561 HydrophobicContact CE2-CE1 3.38Å; F118-F561 AromaticContact CE2-CZ 3.72Å; F118-F561 HydrophobicContact CE2-CZ 3.72Å; F118-F561 HydrophobicContact CG-CE1 4.33Å; F118-F561 AromaticContact CG-CZ 3.81Å; F118-F561 HydrophobicContact CG-CZ 3.81Å; F118-F561 HydrophobicContact CZ-CD1 4.45Å; F118-F561 AromaticContact CZ-CE1 3.72Å; F118-F561 HydrophobicContact CZ-CE1 3.72Å; F118-F561 HydrophobicContact CZ-CZ 4.14Å; L121-F561 HydrophobicContact CB-CE2 4.17Å; L121-F561 HydrophobicContact CD2-CD2 3.45Å; L121-F561 VanDerWaalsContact CD2-CD2 3.45Å; L121-F561 HydrophobicContact CD2-CE2 3.56Å; V539-F561 HydrophobicContact CG1-CE2 4.11Å; L556-F561 HydrophobicContact CD1-CB 4.45Å; L556-F561 HydrophobicContact CD1-CD1 4.33Å; L556-F561 HydrophobicContact CD1-CD2 4.15Å; L556-F561 HydrophobicContact CD1-CG 4.04Å; Q558-F561 PolarHBondContact O-N 3.26Å; F561-A574 WeakPolarHBondContact O-CB 3.21Å; F561-A575 WeakPolarHBondContact O-CB 3.16Å; F561-A575 PolarHBondContact O-N 3.24Å; F561-I578 HydrophobicContact CD1-CD1 4.09Å; F561-V680 HydrophobicContact CD1-CB 4.35Å; F561-V680 HydrophobicContact CD1-CG1 4.06Å; F561-V680 HydrophobicContact CD1-CG2 3.79Å; F561-V680 HydrophobicContact CE1-CB 4.3Å; F561-V680 HydrophobicContact CE1-CG1 3.94Å; F561-V680 HydrophobicContact CE1-CG2 4.21Å
562	F	97.2	Very high	96.1	Very high	3 Å²	3	16 Å²	16	1%	0.013	9%	0.091	C	C	.	.			trans	-148.2	137.1	-176	-175.9	-108.4	0	0	0	113	T435 A438 A439 L442 L557 Q558 P559 P564 N571 A575	T435-F562 HydrophobicContact CG2-CD1 4Å; T435-F562 HydrophobicContact CG2-CE1 3.77Å; A438-F562 HydrophobicContact CB-CE1 4.34Å; A438-F562 HydrophobicContact CB-CZ 3.74Å; A439-F562 HydrophobicContact CB-CE1 3.91Å; A439-F562 HydrophobicContact CB-CZ 4Å; L442-F562 HydrophobicContact CD2-CD2 4.09Å; L442-F562 HydrophobicContact CD2-CE2 3.96Å; L557-F562 HydrophobicContact CB-CD1 4.39Å; Q558-F562 CarbonylContact C-O 3.45Å; Q558-F562 WeakPolarHBondContact CA-O 3.48Å; Q558-F562 PolarHBondContact O-N 2.68Å; P559-F562 VanDerWaalsContact CD-O 3.29Å; P559-F562 WeakPolarHBondContact CD-O 3.47Å; P559-F562 VanDerWaalsContact N-O 3.09Å; F562-P564 HydrophobicContact CE1-CG 4.22Å; F562-N571 HydrophobicContact CD2-CB 4.46Å; F562-N571 VanDerWaalsContact CD2-OD1 3.25Å; F562-N571 WeakPolarHBondContact CD2-OD1 3.28Å; F562-N571 HydrophobicContact CE2-CB 4.45Å; F562-A575 HydrophobicContact CB-CB 3.99Å; F562-A575 HydrophobicContact CD2-CB 3.92Å; F562-A575 HydrophobicContact CG-CB 4.35Å
563	H	97	Very high	96.3	Very high	56 Å²	56	16 Å²	16	26%	0.259	9%	0.091	S	C	.	.			trans	-154.3	137.5	162.8	-170.9	-108.7	0	0	0	110.9	V81 P559 G565 Y566 N571	V81-H563 HydrophobicContact CG1-CB 4.21Å; P559-H563 HydrophobicContact CG-CB 4.24Å; H563-G565 PolarHBondContact ND1-N 3.47Å; H563-G565 VanDerWaalsContact ND1-N 3.19Å; H563-G565 PolarHBondContact O-N 3.32Å; H563-G565 VanDerWaalsContact O-N 3.07Å; H563-Y566 HydrophobicContact CB-CD1 3.95Å; H563-Y566 HydrophobicContact CB-CD2 3.55Å; H563-Y566 HydrophobicContact CB-CE1 3.98Å; H563-Y566 HydrophobicContact CB-CE2 3.57Å; H563-Y566 HydrophobicContact CB-CG 3.73Å; H563-Y566 VanDerWaalsContact N-CD2 3.31Å; H563-Y566 PolarHBondContact O-N 3.18Å; H563-N571 PolarHBondContact N-OD1 2.84Å; H563-N571 PolarHBondContact O-ND2 2.77Å; H563-N571 PolarHBondContact O-OD1 2.91Å
564	P	95.9	Very high	96.3	Very high	53 Å²	53	16 Å²	16	34%	0.344	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-28.8	-179.8	-27.5	36.5	0	0	0	114.6	T435 A438 F562	T435-P564 HydrophobicContact CG2-CG 4.43Å; A438-P564 HydrophobicContact CB-CB 3.84Å; A438-P564 HydrophobicContact CB-CG 3.84Å; F562-P564 HydrophobicContact CE1-CG 4.22Å
565	G	95	Very high	96.4	Very high	35 Å²	35	16.2 Å²	16.2	36%	0.361	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-2.6	178.6	0	0	0	0	0	115.9	H563	H563-G565 PolarHBondContact ND1-N 3.47Å; H563-G565 VanDerWaalsContact ND1-N 3.19Å; H563-G565 PolarHBondContact O-N 3.32Å; H563-G565 VanDerWaalsContact O-N 3.07Å
566	Y	96.9	Very high	96.5	Very high	12 Å²	12	16.2 Å²	16.2	5%	0.047	9%	0.093	C	C	.	.	S	Bend	trans	-70.6	154.2	177.1	-74.1	-25.2	0	0	0	112.7	V81 L85 P559 H563 V570	V81-Y566 HydrophobicContact CB-CE1 4.38Å; V81-Y566 HydrophobicContact CG1-CD1 4.49Å; V81-Y566 HydrophobicContact CG1-CE1 3.67Å; V81-Y566 WeakPolarHBondContact O-CE1 3.39Å; L85-Y566 HydrophobicContact CB-CE1 3.69Å; L85-Y566 HydrophobicContact CD2-CD1 3.83Å; L85-Y566 HydrophobicContact CD2-CD2 4.16Å; L85-Y566 HydrophobicContact CD2-CE1 3.56Å; L85-Y566 HydrophobicContact CD2-CE2 3.94Å; L85-Y566 HydrophobicContact CD2-CG 4.12Å; L85-Y566 HydrophobicContact CG-CE1 4.15Å; P559-Y566 VanDerWaalsContact CB-OH 3.29Å; P559-Y566 WeakPolarHBondContact CB-OH 3.3Å; H563-Y566 HydrophobicContact CB-CD1 3.95Å; H563-Y566 HydrophobicContact CB-CD2 3.55Å; H563-Y566 HydrophobicContact CB-CE1 3.98Å; H563-Y566 HydrophobicContact CB-CE2 3.57Å; H563-Y566 HydrophobicContact CB-CG 3.73Å; H563-Y566 VanDerWaalsContact N-CD2 3.31Å; H563-Y566 PolarHBondContact O-N 3.18Å; Y566-V570 HydrophobicContact CD2-CG1 3.68Å; Y566-V570 HydrophobicContact CE2-CG1 4.29Å; Y566-V570 HydrophobicContact CG-CG1 4.03Å
567	P	96.3	Very high	96.6	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.093	C	C	.	.			trans	-46.9	143.5	164	-29.4	37.2	0	0	0	112	C77 A569 V570 N571 T660 L662	C77-P567 HydrophobicContact CB-CG 4.29Å; P567-A569 VanDerWaalsContact C-N 3.26Å; P567-A569 PolarHBondContact O-N 3.3Å; P567-V570 HydrophobicContact CB-CG2 4.07Å; P567-V570 HydrophobicContact CG-CG2 4.21Å; P567-V570 WeakPolarHBondContact O-CB 3.35Å; P567-V570 PolarHBondContact O-N 2.9Å; P567-N571 PolarHBondContact O-N 3.29Å; P567-T660 WeakPolarHBondContact CA-OG1 3.46Å; P567-T660 WeakPolarHBondContact CB-O 3.41Å; P567-L662 HydrophobicContact CG-CD2 4.08Å; P567-L662 HydrophobicContact CG-CG 4.29Å
568	R	96.3	Very high	96.6	Very high	64 Å²	64	16.9 Å²	16.9	24%	0.242	10%	0.097	C	C	.	.	H	α-helix	trans	-62.2	-39.9	-178.8	-64	-172.2	-67.1	-109	9.3	110.6	V570 N571 F572 Y649 H656 G658 E659	R568-V570 PolarHBondContact O-N 3.01Å; R568-N571 PolarHBondContact O-N 2.98Å; R568-F572 HydrophobicContact CB-CD2 4.28Å; R568-F572 WeakPolarHBondContact O-CB 3.28Å; R568-F572 WeakPolarHBondContact O-CD2 3.41Å; R568-F572 PolarHBondContact O-N 3.27Å; R568-Y649 HydrophobicContact CB-CE2 4.15Å; R568-H656 PolarHBondContact NH2-O 3.17Å; R568-G658 PolarHBondContact NH1-O 3.37Å; R568-G658 PolarHBondContact NH2-O 2.85Å; R568-E659 IonicContact CZ-OE1 3.05Å; R568-E659 IonicContact NE-OE1 3.05Å; R568-E659 PolarHBondContact NE-OE1 2.84Å; R568-E659 IonicContact NE-OE2 3.77Å; R568-E659 IonicContact NH2-OE1 2.68Å; R568-E659 PolarHBondContact NH2-OE1 3.07Å
569	A	97	Very high	96.8	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-44.8	-46.7	169.3	0	0	0	0	0	113.9	P567 G573 Y649 P669 I672 F673	P567-A569 VanDerWaalsContact C-N 3.26Å; P567-A569 PolarHBondContact O-N 3.3Å; A569-G573 PolarHBondContact O-N 3.43Å; A569-Y649 HydrophobicContact CB-CE1 4.46Å; A569-Y649 HydrophobicContact CB-CE2 4.38Å; A569-P669 HydrophobicContact CB-CB 4.44Å; A569-P669 WeakPolarHBondContact CB-O 3.41Å; A569-I672 HydrophobicContact CB-CB 4.17Å; A569-I672 HydrophobicContact CB-CG2 3.91Å; A569-F673 HydrophobicContact CB-CB 4.41Å; A569-F673 WeakPolarHBondContact O-CA 3.37Å
570	V	97.9	Very high	97	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-67.4	-55.3	179.3	172.8	0	0	0	0	110.7	L85 Y566 P567 R568 F572 G573 A574 L662 I672 S676	L85-V570 HydrophobicContact CD2-CB 4.35Å; L85-V570 HydrophobicContact CD2-CG1 3.51Å; L85-V570 HydrophobicContact CD2-CG2 3.97Å; Y566-V570 HydrophobicContact CD2-CG1 3.68Å; Y566-V570 HydrophobicContact CE2-CG1 4.29Å; Y566-V570 HydrophobicContact CG-CG1 4.03Å; P567-V570 HydrophobicContact CB-CG2 4.07Å; P567-V570 HydrophobicContact CG-CG2 4.21Å; P567-V570 WeakPolarHBondContact O-CB 3.35Å; P567-V570 PolarHBondContact O-N 2.9Å; R568-V570 PolarHBondContact O-N 3.01Å; V570-F572 VanDerWaalsContact C-N 3.31Å; V570-F572 PolarHBondContact O-N 2.92Å; V570-G573 PolarHBondContact O-N 3.48Å; V570-G573 VanDerWaalsContact O-N 3.12Å; V570-A574 WeakPolarHBondContact O-CB 3.46Å; V570-A574 PolarHBondContact O-N 3.36Å; V570-L662 HydrophobicContact CG2-CD1 4.11Å; V570-L662 HydrophobicContact CG2-CG 4.37Å; V570-I672 HydrophobicContact CG2-CG2 3.58Å; V570-S676 WeakPolarHBondContact CA-OG 3.4Å
571	N	98.2	Very high	97.2	Very high	16 Å²	16	14.2 Å²	14.2	9%	0.086	8%	0.079	C	C	.	.	H	α-helix	trans	-61.3	-39	-175.9	-82.2	-33.5	0	0	0	112.4	L442 F562 H563 P567 R568 A575 G576	L442-N571 HydrophobicContact CD2-CB 4.39Å; L442-N571 WeakPolarHBondContact CD2-O 3.41Å; F562-N571 HydrophobicContact CD2-CB 4.46Å; F562-N571 VanDerWaalsContact CD2-OD1 3.25Å; F562-N571 WeakPolarHBondContact CD2-OD1 3.28Å; F562-N571 HydrophobicContact CE2-CB 4.45Å; H563-N571 PolarHBondContact N-OD1 2.84Å; H563-N571 PolarHBondContact O-ND2 2.77Å; H563-N571 PolarHBondContact O-OD1 2.91Å; P567-N571 PolarHBondContact O-N 3.29Å; R568-N571 PolarHBondContact O-N 2.98Å; N571-A575 PolarHBondContact O-N 3.44Å; N571-G576 PolarHBondContact O-N 3.24Å
572	F	98.4	Very high	97.3	Very high	11 Å²	11	14.7 Å²	14.7	5%	0.048	8%	0.082	C	C	.	.	H	α-helix	trans	-71.4	-39.1	174	-82.4	-86.2	0	0	0	112.4	L442 A445 I446 R568 V570 G576 S577 A648 Y649 R652 F673	L442-F572 HydrophobicContact CD1-CD1 3.64Å; L442-F572 HydrophobicContact CD1-CD2 4.01Å; L442-F572 HydrophobicContact CD1-CE1 3.62Å; L442-F572 HydrophobicContact CD1-CE2 4Å; L442-F572 HydrophobicContact CD1-CG 3.83Å; L442-F572 HydrophobicContact CD1-CZ 3.81Å; A445-F572 HydrophobicContact CB-CE1 3.98Å; A445-F572 HydrophobicContact CB-CZ 3.96Å; I446-F572 HydrophobicContact CD1-CD1 4Å; I446-F572 HydrophobicContact CD1-CE1 4.27Å; R568-F572 HydrophobicContact CB-CD2 4.28Å; R568-F572 WeakPolarHBondContact O-CB 3.28Å; R568-F572 WeakPolarHBondContact O-CD2 3.41Å; R568-F572 PolarHBondContact O-N 3.27Å; V570-F572 VanDerWaalsContact C-N 3.31Å; V570-F572 PolarHBondContact O-N 2.92Å; F572-G576 CarbonylContact O-C 3.6Å; F572-G576 VanDerWaalsContact O-CA 3.27Å; F572-G576 WeakPolarHBondContact O-CA 3.41Å; F572-S577 PolarHBondContact O-N 3.39Å; F572-A648 HydrophobicContact CD1-CB 3.95Å; F572-A648 HydrophobicContact CE1-CB 3.61Å; F572-Y649 HydrophobicContact CB-CD2 4.32Å; F572-Y649 HydrophobicContact CB-CG 4.21Å; F572-Y649 AromaticContact CD2-CD2 3.98Å; F572-Y649 HydrophobicContact CD2-CD2 3.98Å; F572-Y649 HydrophobicContact CG-CD2 4.23Å; F572-Y649 HydrophobicContact CG-CG 4.36Å; F572-R652 HydrophobicContact CE2-CB 4.18Å; F572-R652 HydrophobicContact CE2-CG 4.01Å; F572-R652 HydrophobicContact CZ-CB 4.1Å; F572-R652 HydrophobicContact CZ-CG 4.19Å; F572-F673 HydrophobicContact CB-CD2 4.09Å; F572-F673 HydrophobicContact CB-CE2 4.01Å
573	G	98.1	Very high	97.4	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-71.5	-31.8	-179.5	0	0	0	0	0	114.1	A569 V570 S577 F673 Y677	A569-G573 PolarHBondContact O-N 3.43Å; V570-G573 PolarHBondContact O-N 3.48Å; V570-G573 VanDerWaalsContact O-N 3.12Å; G573-S577 PolarHBondContact O-OG 2.98Å; G573-S577 VanDerWaalsContact O-OG 3.05Å; G573-F673 VanDerWaalsContact CA-CD2 3.46Å; G573-Y677 WeakPolarHBondContact O-CA 3.15Å; G573-Y677 WeakPolarHBondContact O-CB 3.4Å; G573-Y677 PolarHBondContact O-N 2.99Å
574	A	97.1	Very high	97.4	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.008	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	-84.3	-179.1	0	0	0	0	0	112.3	F561 V570 G576 S577 I578 V680	F561-A574 WeakPolarHBondContact O-CB 3.21Å; V570-A574 WeakPolarHBondContact O-CB 3.46Å; V570-A574 PolarHBondContact O-N 3.36Å; A574-G576 VanDerWaalsContact C-N 3.27Å; A574-G576 PolarHBondContact O-N 3.39Å; A574-S577 PolarHBondContact O-N 2.87Å; A574-S577 PolarHBondContact O-OG 3.41Å; A574-I578 PolarHBondContact O-N 3.34Å; A574-V680 HydrophobicContact CB-CG2 3.45Å; A574-V680 VanDerWaalsContact CB-CG2 3.45Å
575	A	97.9	Very high	97.4	Very high	5 Å²	5	10.9 Å²	10.9	4%	0.041	6%	0.06	C	C	.	.	H	α-helix	trans	-60.4	-35.2	179.4	0	0	0	0	0	113.2	L442 F561 F562 N571 I578 M579	L442-A575 HydrophobicContact CD2-CB 3.79Å; F561-A575 WeakPolarHBondContact O-CB 3.16Å; F561-A575 PolarHBondContact O-N 3.24Å; F562-A575 HydrophobicContact CB-CB 3.99Å; F562-A575 HydrophobicContact CD2-CB 3.92Å; F562-A575 HydrophobicContact CG-CB 4.35Å; N571-A575 PolarHBondContact O-N 3.44Å; A575-I578 PolarHBondContact O-N 3.49Å; A575-M579 WeakPolarHBondContact O-CB 3.25Å; A575-M579 VanDerWaalsContact O-CG 3.29Å; A575-M579 WeakPolarHBondContact O-CG 3.37Å; A575-M579 PolarHBondContact O-N 3.27Å
576	G	98.5	Very high	97.4	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-65.5	-37	180	0	0	0	0	0	113.6	I446 N571 F572 A574 A580	I446-G576 WeakPolarHBondContact CD1-O 3.3Å; N571-G576 PolarHBondContact O-N 3.24Å; F572-G576 CarbonylContact O-C 3.6Å; F572-G576 VanDerWaalsContact O-CA 3.27Å; F572-G576 WeakPolarHBondContact O-CA 3.41Å; A574-G576 VanDerWaalsContact C-N 3.27Å; A574-G576 PolarHBondContact O-N 3.39Å; G576-A580 WeakPolarHBondContact O-CB 3.42Å; G576-A580 PolarHBondContact O-N 3.38Å
577	S	97.9	Very high	97.3	Very high	4 Å²	4	9 Å²	9	3%	0.028	4%	0.042	C	C	.	.	H	α-helix	trans	-72.3	-35.8	175.2	66.4	0	0	0	0	112.2	F572 G573 A574 A580 H581 Y677	F572-S577 PolarHBondContact O-N 3.39Å; G573-S577 PolarHBondContact O-OG 2.98Å; G573-S577 VanDerWaalsContact O-OG 3.05Å; A574-S577 PolarHBondContact O-N 2.87Å; A574-S577 PolarHBondContact O-OG 3.41Å; S577-A580 PolarHBondContact O-N 3.24Å; S577-H581 WeakPolarHBondContact O-CB 3.23Å; S577-H581 PolarHBondContact O-N 3.45Å; S577-Y677 WeakPolarHBondContact OG-CD2 3.38Å
578	I	97.2	Very high	97.1	Very high	21 Å²	21	10.8 Å²	10.8	11%	0.108	5%	0.049	C	C	.	.	H	α-helix	trans	-62.2	-50.4	172	-60.4	166	0	0	0	109.3	A541 L556 F561 A574 A575 A580 H581 E582 V680	A541-I578 HydrophobicContact CB-CG2 4.17Å; L556-I578 HydrophobicContact CD1-CD1 4.3Å; L556-I578 HydrophobicContact CD2-CG2 4.18Å; F561-I578 HydrophobicContact CD1-CD1 4.09Å; A574-I578 PolarHBondContact O-N 3.34Å; A575-I578 PolarHBondContact O-N 3.49Å; I578-A580 PolarHBondContact O-N 3.06Å; I578-H581 WeakPolarHBondContact O-CB 3.48Å; I578-H581 PolarHBondContact O-N 2.78Å; I578-H581 VanDerWaalsContact O-N 3.14Å; I578-E582 HydrophobicContact CG2-CG 4.44Å; I578-E582 WeakPolarHBondContact O-CG 3.38Å; I578-E582 PolarHBondContact O-N 3.44Å; I578-V680 HydrophobicContact CD1-CG1 3.79Å; I578-V680 HydrophobicContact CG1-CG1 4.02Å
579	M	98.3	Very high	96.7	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.005	7%	0.065	C	C	.	.	H	α-helix	trans	-55.9	-37.9	176.8	-72.9	173.3	177.1	0	0	112.5	A439 L442 F443 I446 M479 F552 L557 A575 L583	A439-M579 HydrophobicContact CB-CE 4.41Å; L442-M579 HydrophobicContact CB-SD 4.28Å; L442-M579 HydrophobicContact CD2-CE 4.28Å; L442-M579 HydrophobicContact CD2-SD 3.91Å; L442-M579 HydrophobicContact CG-SD 3.79Å; F443-M579 HydrophobicContact CB-CE 4.3Å; F443-M579 HydrophobicContact CB-SD 3.82Å; F443-M579 HydrophobicContact CD2-CB 4.43Å; F443-M579 HydrophobicContact CD2-CG 4.38Å; F443-M579 HydrophobicContact CD2-SD 4.43Å; I446-M579 HydrophobicContact CG1-CB 4.35Å; I446-M579 HydrophobicContact CG2-CB 4.24Å; M479-M579 HydrophobicContact CE-CE 4.48Å; M479-M579 HydrophobicContact SD-CE 4.36Å; F552-M579 HydrophobicContact CD1-CG 4.27Å; F552-M579 HydrophobicContact CE1-CB 4.27Å; F552-M579 HydrophobicContact CE1-CG 3.74Å; F552-M579 HydrophobicContact CE2-CG 4.21Å; F552-M579 HydrophobicContact CZ-CB 4.03Å; F552-M579 HydrophobicContact CZ-CG 3.72Å; L557-M579 HydrophobicContact CD2-CE 4.04Å; A575-M579 WeakPolarHBondContact O-CB 3.25Å; A575-M579 VanDerWaalsContact O-CG 3.29Å; A575-M579 WeakPolarHBondContact O-CG 3.37Å; A575-M579 PolarHBondContact O-N 3.27Å; M579-L583 VanDerWaalsContact O-CG 3.27Å; M579-L583 WeakPolarHBondContact O-CG 3.33Å; M579-L583 PolarHBondContact O-N 3.03Å
580	A	98.4	Very high	96.4	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.008	7%	0.073	C	C	.	.	H	α-helix	trans	-74	-37.9	178.4	0	0	0	0	0	113	I446 G576 S577 I578 L583 L584 G641 I644	I446-A580 HydrophobicContact CG2-CB 3.63Å; G576-A580 WeakPolarHBondContact O-CB 3.42Å; G576-A580 PolarHBondContact O-N 3.38Å; S577-A580 PolarHBondContact O-N 3.24Å; I578-A580 PolarHBondContact O-N 3.06Å; A580-L583 PolarHBondContact O-N 3.14Å; A580-L584 WeakPolarHBondContact O-CG 3.26Å; A580-L584 PolarHBondContact O-N 2.95Å; A580-G641 VanDerWaalsContact CB-O 3.26Å; A580-G641 WeakPolarHBondContact CB-O 3.46Å; A580-I644 HydrophobicContact CB-CB 4.01Å; A580-I644 HydrophobicContact CB-CG2 3.95Å
581	H	97.6	Very high	96	Very high	12 Å²	12	16 Å²	16	6%	0.056	8%	0.077	C	C	.	.	H	α-helix	trans	-59.2	-51	174.2	172.8	103.6	0	0	0	110.8	S577 I578 L583 L584 H585 E634 A637 D638 R700	S577-H581 WeakPolarHBondContact O-CB 3.23Å; S577-H581 PolarHBondContact O-N 3.45Å; I578-H581 WeakPolarHBondContact O-CB 3.48Å; I578-H581 PolarHBondContact O-N 2.78Å; I578-H581 VanDerWaalsContact O-N 3.14Å; H581-L583 VanDerWaalsContact C-N 3.29Å; H581-L583 PolarHBondContact O-N 3.43Å; H581-L584 WeakPolarHBondContact O-CB 3.09Å; H581-L584 PolarHBondContact O-N 2.98Å; H581-H585 AromaticContact CD2-CE1 3.9Å; H581-H585 AromaticContact CD2-NE2 4Å; H581-H585 AromaticContact NE2-CE1 3.49Å; H581-H585 PolarHBondContact NE2-CE1 2.91Å; H581-H585 AromaticContact NE2-NE2 3.84Å; H581-E634 IonicContact CE1-OE2 3.9Å; H581-E634 PolarHBondContact CE1-OE2 3.08Å; H581-E634 IonicContact NE2-OE2 3.35Å; H581-E634 PolarHBondContact NE2-OE2 2.99Å; H581-A637 WeakPolarHBondContact ND1-CB 3.27Å; H581-D638 IonicContact CE1-OD1 3.98Å; H581-D638 PolarHBondContact CE1-OD1 3.38Å; H581-D638 IonicContact ND1-OD1 3.26Å; H581-D638 PolarHBondContact ND1-OD1 3.31Å; H581-R700 PolarHBondContact CE1-NH2 2.96Å; H581-R700 VanDerWaalsContact CE1-NH2 3.32Å
582	E	97	Very high	95.4	Very high	13 Å²	13	18.7 Å²	18.7	6%	0.061	9%	0.091	C	C	.	.	H	α-helix	trans	-59.6	-36	178.5	-65.4	-58.6	153.2	0	0	113.5	A541 Y542 Y543 V550 F552 I578 L584 H585	A541-E582 HydrophobicContact CB-CG 3.75Å; A541-E582 WeakPolarHBondContact CB-OE1 3.36Å; Y542-E582 WeakPolarHBondContact CA-OE2 3.31Å; Y542-E582 PolarHBondContact N-OE2 3.44Å; Y543-E582 PolarHBondContact N-OE2 2.72Å; V550-E582 HydrophobicContact CG2-CB 3.68Å; V550-E582 HydrophobicContact CG2-CG 4.44Å; F552-E582 HydrophobicContact CE1-CB 4.18Å; F552-E582 HydrophobicContact CE1-CG 3.75Å; F552-E582 HydrophobicContact CZ-CB 4Å; F552-E582 HydrophobicContact CZ-CG 4.09Å; I578-E582 HydrophobicContact CG2-CG 4.44Å; I578-E582 WeakPolarHBondContact O-CG 3.38Å; I578-E582 PolarHBondContact O-N 3.44Å; E582-L584 PolarHBondContact O-N 3.15Å; E582-H585 WeakPolarHBondContact O-CB 3.29Å; E582-H585 PolarHBondContact O-N 3.13Å; E582-H585 IonicContact OE2-CD2 2.74Å; E582-H585 PolarHBondContact OE2-CD2 3.48Å; E582-H585 VanDerWaalsContact OE2-CD2 3.27Å; E582-H585 IonicContact OE2-NE2 3.84Å
583	L	98	Very high	94.5	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-67.9	-23.5	175.7	-71.4	175.3	0	0	0	113	F443 I446 R447 L450 L475 M579 A580 H581 I586	F443-L583 HydrophobicContact CE2-CD1 4.22Å; F443-L583 HydrophobicContact CE2-CD2 3.91Å; F443-L583 HydrophobicContact CE2-CG 4.23Å; F443-L583 HydrophobicContact CZ-CD2 4.05Å; I446-L583 HydrophobicContact CG2-CD1 3.95Å; R447-L583 HydrophobicContact CB-CD1 4.27Å; L450-L583 HydrophobicContact CD2-CB 3.62Å; L450-L583 HydrophobicContact CD2-CD1 4.02Å; L450-L583 HydrophobicContact CD2-CG 4.36Å; L475-L583 HydrophobicContact CD2-CD2 3.16Å; M579-L583 VanDerWaalsContact O-CG 3.27Å; M579-L583 WeakPolarHBondContact O-CG 3.33Å; M579-L583 PolarHBondContact O-N 3.03Å; A580-L583 PolarHBondContact O-N 3.14Å; H581-L583 VanDerWaalsContact C-N 3.29Å; H581-L583 PolarHBondContact O-N 3.43Å; L583-I586 HydrophobicContact CD2-CD1 4.01Å; L583-I586 VanDerWaalsContact O-CB 3.31Å; L583-I586 WeakPolarHBondContact O-CB 3.23Å; L583-I586 VanDerWaalsContact O-CD1 3.29Å; L583-I586 WeakPolarHBondContact O-CD1 3.49Å; L583-I586 VanDerWaalsContact O-CG1 3.23Å; L583-I586 WeakPolarHBondContact O-CG1 3.43Å; L583-I586 PolarHBondContact O-N 3.19Å
584	L	97.2	Very high	93.6	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-79.8	-20.7	178.9	-69.1	173.1	0	0	0	112.9	L450 A580 H581 E582 I586 F587 A637 I644 W732	L450-L584 HydrophobicContact CD1-CD2 4.06Å; A580-L584 WeakPolarHBondContact O-CG 3.26Å; A580-L584 PolarHBondContact O-N 2.95Å; H581-L584 WeakPolarHBondContact O-CB 3.09Å; H581-L584 PolarHBondContact O-N 2.98Å; E582-L584 PolarHBondContact O-N 3.15Å; L584-I586 PolarHBondContact O-N 3.48Å; L584-I586 VanDerWaalsContact O-N 3.14Å; L584-F587 HydrophobicContact CD2-CD2 4.25Å; L584-F587 PolarHBondContact O-N 3.05Å; L584-A637 HydrophobicContact CB-CB 4.2Å; L584-A637 WeakPolarHBondContact CD1-O 3.48Å; L584-I644 HydrophobicContact CD1-CD1 4.01Å; L584-I644 HydrophobicContact CD2-CD1 3.93Å; L584-I644 HydrophobicContact CG-CD1 4.13Å; L584-W732 HydrophobicContact CB-CZ2 4.47Å; L584-W732 HydrophobicContact CD1-CD2 4.39Å; L584-W732 HydrophobicContact CD1-CG 4.18Å; L584-W732 HydrophobicContact CD2-CD2 3.65Å; L584-W732 HydrophobicContact CD2-CE3 3.83Å; L584-W732 HydrophobicContact CD2-CG 4.15Å; L584-W732 HydrophobicContact CD2-CH2 4.27Å; L584-W732 HydrophobicContact CD2-CZ2 4.04Å; L584-W732 HydrophobicContact CD2-CZ3 4.16Å
585	H	95.5	Very high	92.9	Very high	33 Å²	33	27.8 Å²	27.8	15%	0.153	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-56.1	-26.7	169.2	-64.9	-25.2	0	0	0	112.9	Y543 H581 E582 F587 Y588 E634	Y543-H585 HydrophobicContact CD1-CB 3.73Å; Y543-H585 HydrophobicContact CG-CB 4.11Å; H581-H585 AromaticContact CD2-CE1 3.9Å; H581-H585 AromaticContact CD2-NE2 4Å; H581-H585 AromaticContact NE2-CE1 3.49Å; H581-H585 PolarHBondContact NE2-CE1 2.91Å; H581-H585 AromaticContact NE2-NE2 3.84Å; E582-H585 WeakPolarHBondContact O-CB 3.29Å; E582-H585 PolarHBondContact O-N 3.13Å; E582-H585 IonicContact OE2-CD2 2.74Å; E582-H585 PolarHBondContact OE2-CD2 3.48Å; E582-H585 VanDerWaalsContact OE2-CD2 3.27Å; E582-H585 IonicContact OE2-NE2 3.84Å; H585-F587 PolarHBondContact O-N 3.44Å; H585-F587 VanDerWaalsContact O-N 3.08Å; H585-Y588 AromaticContact CE1-CZ 3.68Å; H585-Y588 PolarHBondContact CE1-OH 3.34Å; H585-Y588 AromaticContact ND1-CE1 3.56Å; H585-Y588 AromaticContact ND1-CE2 3.43Å; H585-Y588 WeakPolarHBondContact ND1-CE2 3.33Å; H585-Y588 AromaticContact ND1-CZ 3.03Å; H585-Y588 PolarHBondContact ND1-OH 3.44Å; H585-Y588 PolarHBondContact O-N 3.01Å; H585-E634 IonicContact CE1-OE1 2.73Å; H585-E634 IonicContact CE1-OE2 2.85Å
586	I	95.7	Very high	92.3	Very high	4 Å²	4	28 Å²	28	2%	0.021	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-55.2	-27.8	175.5	-61.3	172.7	0	0	0	112.2	K471 V472 L475 Y543 L583 L584	K471-I586 HydrophobicContact CD-CG2 3.59Å; K471-I586 HydrophobicContact CG-CG2 3.78Å; K471-I586 PolarHBondContact NZ-O 3.12Å; V472-I586 HydrophobicContact CG2-CD1 4.23Å; L475-I586 HydrophobicContact CD1-CD1 3.83Å; L475-I586 HydrophobicContact CD1-CG1 4.4Å; L475-I586 HydrophobicContact CD2-CD1 3.77Å; L475-I586 HydrophobicContact CG-CD1 4.3Å; Y543-I586 HydrophobicContact CD1-CG1 4.45Å; Y543-I586 HydrophobicContact CD2-CG1 3.99Å; Y543-I586 HydrophobicContact CE1-CG1 4.19Å; Y543-I586 HydrophobicContact CE2-CG1 3.73Å; Y543-I586 HydrophobicContact CG-CG1 4.35Å; L583-I586 HydrophobicContact CD2-CD1 4.01Å; L583-I586 VanDerWaalsContact O-CB 3.31Å; L583-I586 WeakPolarHBondContact O-CB 3.23Å; L583-I586 VanDerWaalsContact O-CD1 3.29Å; L583-I586 WeakPolarHBondContact O-CD1 3.49Å; L583-I586 VanDerWaalsContact O-CG1 3.23Å; L583-I586 WeakPolarHBondContact O-CG1 3.43Å; L583-I586 PolarHBondContact O-N 3.19Å; L584-I586 PolarHBondContact O-N 3.48Å; L584-I586 VanDerWaalsContact O-N 3.14Å
587	F	94.4	Very high	91.6	Very high	3 Å²	3	35.5 Å²	35.5	1%	0.013	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-111.5	4.6	-171	-56.9	-57.9	0	0	0	114.5	L450 L454 A468 V472 L584 H585 Q589 L590 W732	L450-F587 HydrophobicContact CD1-CE2 4.2Å; L450-F587 HydrophobicContact CD2-CE2 4.23Å; L454-F587 HydrophobicContact CD1-CE2 4.13Å; L454-F587 HydrophobicContact CD1-CZ 3.71Å; L454-F587 HydrophobicContact CD2-CE2 3.97Å; L454-F587 HydrophobicContact CD2-CZ 3.96Å; L454-F587 HydrophobicContact CG-CZ 4.5Å; A468-F587 HydrophobicContact CB-CD1 4.38Å; A468-F587 HydrophobicContact CB-CE1 3.54Å; A468-F587 HydrophobicContact CB-CZ 3.98Å; V472-F587 HydrophobicContact CG2-CE1 4.47Å; V472-F587 HydrophobicContact CG2-CE2 3.93Å; V472-F587 HydrophobicContact CG2-CZ 3.46Å; V472-F587 VanDerWaalsContact CG2-CZ 3.46Å; L584-F587 HydrophobicContact CD2-CD2 4.25Å; L584-F587 PolarHBondContact O-N 3.05Å; H585-F587 PolarHBondContact O-N 3.44Å; H585-F587 VanDerWaalsContact O-N 3.08Å; F587-Q589 PolarHBondContact O-N 2.87Å; F587-Q589 VanDerWaalsContact O-N 3.12Å; F587-L590 HydrophobicContact CB-CD1 4.28Å; F587-L590 HydrophobicContact CD1-CD1 3.81Å; F587-L590 HydrophobicContact CG-CD1 4.44Å; F587-L590 WeakPolarHBondContact O-CB 3.35Å; F587-L590 PolarHBondContact O-N 3.18Å; F587-W732 HydrophobicContact CB-CH2 3.49Å; F587-W732 VanDerWaalsContact CB-CH2 3.49Å; F587-W732 HydrophobicContact CB-CZ2 4.4Å; F587-W732 HydrophobicContact CB-CZ3 4.13Å; F587-W732 HydrophobicContact CD2-CH2 4.17Å; F587-W732 HydrophobicContact CD2-CZ3 4.15Å; F587-W732 HydrophobicContact CG-CH2 4.17Å; F587-W732 HydrophobicContact CG-CZ3 4.36Å
588	Y	92.3	Very high	91	Very high	38 Å²	38	37.8 Å²	37.8	15%	0.149	23%	0.225	C	C	.	.	H	α-helix	trans	-51.2	-38.8	179.3	-84.4	10.4	0	0	0	113.2	H585 L590 L591 L592 L633 E634 A637	H585-Y588 AromaticContact CE1-CZ 3.68Å; H585-Y588 PolarHBondContact CE1-OH 3.34Å; H585-Y588 AromaticContact ND1-CE1 3.56Å; H585-Y588 AromaticContact ND1-CE2 3.43Å; H585-Y588 WeakPolarHBondContact ND1-CE2 3.33Å; H585-Y588 AromaticContact ND1-CZ 3.03Å; H585-Y588 PolarHBondContact ND1-OH 3.44Å; H585-Y588 PolarHBondContact O-N 3.01Å; Y588-L590 VanDerWaalsContact C-N 3.28Å; Y588-L590 PolarHBondContact O-N 3.44Å; Y588-L591 PolarHBondContact O-N 3.46Å; Y588-L591 VanDerWaalsContact O-N 3.14Å; Y588-L592 PolarHBondContact O-N 3.29Å; Y588-L633 HydrophobicContact CD1-CB 4.2Å; Y588-L633 HydrophobicContact CD1-CD2 4.32Å; Y588-L633 HydrophobicContact CD2-CB 4.06Å; Y588-L633 HydrophobicContact CD2-CD1 3.82Å; Y588-L633 HydrophobicContact CD2-CG 4.44Å; Y588-L633 HydrophobicContact CE1-CB 3.86Å; Y588-L633 WeakPolarHBondContact CE1-O 3.47Å; Y588-L633 HydrophobicContact CE2-CB 3.72Å; Y588-L633 HydrophobicContact CE2-CD1 4.23Å; Y588-L633 HydrophobicContact CG-CB 4.27Å; Y588-L633 HydrophobicContact CG-CD1 4.09Å; Y588-L633 HydrophobicContact CG-CD2 4.31Å; Y588-L633 HydrophobicContact CG-CG 4.47Å; Y588-L633 VanDerWaalsContact OH-C 3.27Å; Y588-L633 PolarHBondContact OH-O 2.9Å; Y588-E634 WeakPolarHBondContact CE2-OE1 3.42Å; Y588-E634 PolarHBondContact OH-N 3.42Å; Y588-E634 PolarHBondContact OH-OE1 2.88Å; Y588-E634 PolarHBondContact OH-OE2 3.46Å; Y588-A637 HydrophobicContact CE1-CB 4.16Å
589	Q	88.4	Confident	90.5	Very high	123 Å²	123	37.3 Å²	37.3	58%	0.575	22%	0.223	S	C	*	.	H	α-helix	trans	-59.1	-37.2	176.3	-168.2	63.9	23.3	0	0	112.7	F587 L591 L592 G595	F587-Q589 PolarHBondContact O-N 2.87Å; F587-Q589 VanDerWaalsContact O-N 3.12Å; Q589-L591 PolarHBondContact O-N 2.88Å; Q589-L592 PolarHBondContact O-N 2.04Å; Q589-G595 VanDerWaalsContact O-CA 3.3Å; Q589-G595 WeakPolarHBondContact O-CA 3.49Å
590	L	90.1	Very high	90.2	Very high	35 Å²	35	40.9 Å²	40.9	18%	0.183	24%	0.242	C	C	.	.	H	α-helix	trans	-69.4	-22.2	-179.5	-56.2	179.5	0	0	0	112.8	W459 M460 F587 Y588 C596	W459-L590 HydrophobicContact CH2-CB 4.35Å; W459-L590 HydrophobicContact CZ3-CB 4.37Å; M460-L590 HydrophobicContact CE-CD1 3.77Å; F587-L590 HydrophobicContact CB-CD1 4.28Å; F587-L590 HydrophobicContact CD1-CD1 3.81Å; F587-L590 HydrophobicContact CG-CD1 4.44Å; F587-L590 WeakPolarHBondContact O-CB 3.35Å; F587-L590 PolarHBondContact O-N 3.18Å; Y588-L590 VanDerWaalsContact C-N 3.28Å; Y588-L590 PolarHBondContact O-N 3.44Å; L590-C596 HydrophobicContact CB-CB 4.37Å; L590-C596 HydrophobicContact CD2-CB 3.95Å
591	L	89.5	Confident	89.6	Confident	16 Å²	16	44 Å²	44	8%	0.084	26%	0.258	C	S	.	.	H	α-helix	trans	-87.9	-11.7	177.7	-60	-170.1	0	0	0	113.5	W459 Y588 Q589 L604 F632 L633 A636 L731 W732	W459-L591 HydrophobicContact CH2-CD2 3.94Å; W459-L591 HydrophobicContact CZ2-CD2 4.2Å; Y588-L591 PolarHBondContact O-N 3.46Å; Y588-L591 VanDerWaalsContact O-N 3.14Å; Q589-L591 PolarHBondContact O-N 2.88Å; L591-L604 HydrophobicContact CD2-CD2 3.8Å; L591-F632 HydrophobicContact CB-CE1 4.11Å; L591-F632 HydrophobicContact CD1-CE1 4.43Å; L591-F632 HydrophobicContact CD1-CZ 4.44Å; L591-L633 HydrophobicContact CB-CD2 3.8Å; L591-L633 HydrophobicContact CD1-CD2 4.03Å; L591-A636 HydrophobicContact CD1-CB 3.89Å; L591-L731 HydrophobicContact CD1-CD2 4.12Å; L591-L731 HydrophobicContact CD2-CD1 3.88Å; L591-L731 HydrophobicContact CD2-CD2 4.26Å; L591-L731 HydrophobicContact CD2-CG 4.42Å; L591-W732 HydrophobicContact CD1-CH2 4.29Å; L591-W732 HydrophobicContact CD1-CZ2 3.65Å; L591-W732 HydrophobicContact CD2-CH2 4.15Å; L591-W732 HydrophobicContact CD2-CZ2 4.21Å; L591-W732 HydrophobicContact CG-CH2 4.26Å; L591-W732 HydrophobicContact CG-CZ2 4.12Å
592	L	85.7	Confident	89.1	Confident	71 Å²	71	49.5 Å²	49.5	37%	0.372	28%	0.284	S	S	.	.	S	Bend	trans	-85	147.2	179.4	-70.3	174.6	0	0	0	111.1	Y588 Q589 G594 G595 L633	Y588-L592 PolarHBondContact O-N 3.29Å; Q589-L592 PolarHBondContact O-N 2.04Å; L592-G594 PolarHBondContact O-N 2.91Å; L592-G595 PolarHBondContact O-N 3.32Å; L592-L633 HydrophobicContact CD2-CD1 4.25Å
593	P	79.8	Confident	88.8	Confident	128 Å²	128	50.4 Å²	50.4	83%	0.831	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	125.4	177.7	-27.3	35.3	0	0	0	112.6	G595	P593-G595 PolarHBondContact O-N 3.03Å
594	G	79.4	Confident	88.3	Confident	55 Å²	55	51.2 Å²	51.2	57%	0.567	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.4	-1.7	-177.6	0	0	0	0	0	115.4	L592 C596	L592-G594 PolarHBondContact O-N 2.91Å; G594-C596 VanDerWaalsContact C-N 3.33Å; G594-C596 PolarHBondContact O-N 3.18Å
595	G	83.1	Confident	87.9	Confident	21 Å²	21	57.2 Å²	57.2	22%	0.216	33%	0.326	C	S	.	.	S	Bend	trans	-79	-10.6	-178.4	0	0	0	0	0	115.5	Q589 L592 P593	Q589-G595 VanDerWaalsContact O-CA 3.3Å; Q589-G595 WeakPolarHBondContact O-CA 3.49Å; L592-G595 PolarHBondContact O-N 3.32Å; P593-G595 PolarHBondContact O-N 3.03Å
596	C	85.5	Confident	87.6	Confident	9 Å²	9	59.9 Å²	59.9	6%	0.061	34%	0.338	C	S	.	.			trans	-141.4	98.3	167	-174.3	0	0	0	0	110.8	L590 G594 A598 C599	L590-C596 HydrophobicContact CB-CB 4.37Å; L590-C596 HydrophobicContact CD2-CB 3.95Å; G594-C596 VanDerWaalsContact C-N 3.33Å; G594-C596 PolarHBondContact O-N 3.18Å; C596-A598 VanDerWaalsContact C-N 3.31Å; C596-A598 PolarHBondContact O-N 2.91Å; C596-C599 HydrophobicContact CB-CB 3.63Å; C596-C599 WeakPolarHBondContact CB-SG 3.5Å; C596-C599 PolarHBondContact O-N 2.86Å; C596-C599 WeakPolarHBondContact SG-CB 3.38Å; C596-C599 PolarHBondContact SG-N 2.85Å; C596-C599 CovalentContact SG-SG 2.03Å; C596-C599 PolarHBondContact SG-SG 3.25Å
597	L	82.4	Confident	87.3	Confident	158 Å²	158	60 Å²	60	83%	0.827	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-26	179.7	-64.5	175	0	0	0	113.3
598	A	85.2	Confident	87	Confident	52 Å²	52	62.6 Å²	62.6	43%	0.43	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	0	179.8	0	0	0	0	0	114.1	C596	C596-A598 VanDerWaalsContact C-N 3.31Å; C596-A598 PolarHBondContact O-N 2.91Å
599	C	88.2	Confident	86.9	Confident	10 Å²	10	64.2 Å²	64.2	7%	0.068	36%	0.363	C	S	.	.	S	Bend	trans	-88.4	157.1	177.5	-67.9	0	0	0	0	111.6	W459 C596 N601 L604	W459-C599 HydrophobicContact CE3-CB 4.07Å; W459-C599 HydrophobicContact CZ3-CB 4.46Å; W459-C599 CarbonylContact O-C 3.59Å; W459-C599 WeakPolarHBondContact O-CA 3.46Å; W459-C599 WeakPolarHBondContact O-CB 3.46Å; C596-C599 HydrophobicContact CB-CB 3.63Å; C596-C599 WeakPolarHBondContact CB-SG 3.5Å; C596-C599 PolarHBondContact O-N 2.86Å; C596-C599 WeakPolarHBondContact SG-CB 3.38Å; C596-C599 PolarHBondContact SG-N 2.85Å; C596-C599 CovalentContact SG-SG 2.03Å; C596-C599 PolarHBondContact SG-SG 3.25Å; C599-N601 PolarHBondContact O-N 3.47Å; C599-N601 PolarHBondContact O-ND2 3.16Å; C599-L604 HydrophobicContact CB-CD1 4.02Å
600	D	91	Very high	87.1	Confident	76 Å²	76	59.2 Å²	59.2	41%	0.406	34%	0.341	S	S	.	.			trans	-70.7	93	167.1	-175	-11.9	0	0	0	110	W459 H602 A603 L604	W459-D600 HydrophobicContact CB-CB 4.28Å; W459-D600 PolarHBondContact O-N 2.72Å; D600-H602 PolarHBondContact O-N 3.37Å; D600-H602 WeakPolarHBondContact OD1-CA 3.23Å; D600-H602 WeakPolarHBondContact OD1-CB 3.47Å; D600-H602 PolarHBondContact OD1-N 2.91Å; D600-A603 HydrophobicContact CB-CB 3.9Å; D600-A603 VanDerWaalsContact CG-CB 3.47Å; D600-A603 PolarHBondContact O-N 3.17Å; D600-A603 PolarHBondContact OD1-N 3.46Å; D600-A603 WeakPolarHBondContact OD2-CB 3.38Å; D600-L604 PolarHBondContact O-N 3.42Å
601	N	85.8	Confident	87.1	Confident	66 Å²	66	57.7 Å²	57.7	35%	0.353	33%	0.333	S	S	.	.	H	α-helix	trans	-62	-26.8	176.5	-77.6	-68.1	0	0	0	112.9	C599 Q605	C599-N601 PolarHBondContact O-N 3.47Å; C599-N601 PolarHBondContact O-ND2 3.16Å; N601-Q605 WeakPolarHBondContact O-CB 3.22Å; N601-Q605 VanDerWaalsContact O-CG 3.25Å; N601-Q605 WeakPolarHBondContact O-CG 3.03Å; N601-Q605 PolarHBondContact O-N 3.41Å
602	H	88.3	Confident	87.1	Confident	129 Å²	129	60.7 Å²	60.7	60%	0.597	35%	0.346	S	S	*	.	H	α-helix	trans	-73.1	-46.1	176.6	178.3	-84.4	0	0	0	110.4	D600 L604 Q605 E606	D600-H602 PolarHBondContact O-N 3.37Å; D600-H602 WeakPolarHBondContact OD1-CA 3.23Å; D600-H602 WeakPolarHBondContact OD1-CB 3.47Å; D600-H602 PolarHBondContact OD1-N 2.91Å; H602-L604 VanDerWaalsContact C-N 3.31Å; H602-L604 PolarHBondContact O-N 3.15Å; H602-Q605 PolarHBondContact O-N 2.92Å; H602-E606 PolarHBondContact O-N 2.66Å
603	A	89	Confident	87.3	Confident	31 Å²	31	64.6 Å²	64.6	26%	0.256	36%	0.356	S	S	.	.	H	α-helix	trans	-60	-39.9	173.7	0	0	0	0	0	112.4	W459 D600 A607	W459-A603 HydrophobicContact CB-CB 3.86Å; D600-A603 HydrophobicContact CB-CB 3.9Å; D600-A603 VanDerWaalsContact CG-CB 3.47Å; D600-A603 PolarHBondContact O-N 3.17Å; D600-A603 PolarHBondContact OD1-N 3.46Å; D600-A603 WeakPolarHBondContact OD2-CB 3.38Å; A603-A607 VanDerWaalsContact O-CB 3.3Å; A603-A607 WeakPolarHBondContact O-CB 3.33Å; A603-A607 PolarHBondContact O-N 2.92Å
604	L	88.4	Confident	87.8	Confident	18 Å²	18	59.1 Å²	59.1	9%	0.094	32%	0.319	C	S	.	.	H	α-helix	trans	-63.8	-43.2	174.1	-78.4	173.2	0	0	0	112.8	W459 L591 C599 D600 H602 A607 H608 L731	W459-L604 HydrophobicContact CD2-CD2 3.69Å; W459-L604 HydrophobicContact CD2-CG 4.11Å; W459-L604 HydrophobicContact CE3-CD1 3.83Å; W459-L604 HydrophobicContact CE3-CD2 3.61Å; W459-L604 HydrophobicContact CE3-CG 3.81Å; W459-L604 HydrophobicContact CG-CD2 4.25Å; W459-L604 HydrophobicContact CG-CG 4.45Å; W459-L604 HydrophobicContact CH2-CD2 4.04Å; W459-L604 HydrophobicContact CZ2-CD2 4.15Å; W459-L604 HydrophobicContact CZ3-CD1 4Å; W459-L604 HydrophobicContact CZ3-CD2 3.79Å; W459-L604 HydrophobicContact CZ3-CG 4.27Å; L591-L604 HydrophobicContact CD2-CD2 3.8Å; C599-L604 HydrophobicContact CB-CD1 4.02Å; D600-L604 PolarHBondContact O-N 3.42Å; H602-L604 VanDerWaalsContact C-N 3.31Å; H602-L604 PolarHBondContact O-N 3.15Å; L604-A607 PolarHBondContact O-N 3.08Å; L604-H608 WeakPolarHBondContact O-CB 3.48Å; L604-H608 PolarHBondContact O-N 3.49Å; L604-L731 HydrophobicContact CD2-CD1 3.68Å
605	Q	87.5	Confident	88.4	Confident	126 Å²	126	56.6 Å²	56.6	59%	0.589	29%	0.292	S	S	*	.	H	α-helix	trans	-65.4	-43.2	176.7	-76.9	178	2.3	0	0	112.1	N601 H602 H608 L609	N601-Q605 WeakPolarHBondContact O-CB 3.22Å; N601-Q605 VanDerWaalsContact O-CG 3.25Å; N601-Q605 WeakPolarHBondContact O-CG 3.03Å; N601-Q605 PolarHBondContact O-N 3.41Å; H602-Q605 PolarHBondContact O-N 2.92Å; Q605-H608 PolarHBondContact O-N 3.49Å; Q605-L609 WeakPolarHBondContact O-CB 3.22Å; Q605-L609 WeakPolarHBondContact O-CG 3.28Å; Q605-L609 PolarHBondContact O-N 3.09Å
606	E	90	Very high	88.6	Confident	89 Å²	89	58.9 Å²	58.9	42%	0.416	31%	0.309	S	S	.	.	H	α-helix	trans	-62.9	-41.2	174.4	-85.4	-65	115.1	0	0	112	H602 H608 L609 C610	H602-E606 PolarHBondContact O-N 2.66Å; E606-H608 PolarHBondContact O-N 3.12Å; E606-L609 PolarHBondContact O-N 3.38Å; E606-C610 VanDerWaalsContact O-CB 3.29Å; E606-C610 WeakPolarHBondContact O-CB 3.42Å; E606-C610 PolarHBondContact O-N 3.39Å
607	A	88.8	Confident	88.9	Confident	6 Å²	6	61 Å²	61	5%	0.05	33%	0.327	C	S	.	.	H	α-helix	trans	-62.9	-41.7	175.5	0	0	0	0	0	112.3	A603 L604 C610 L611 L731	A603-A607 VanDerWaalsContact O-CB 3.3Å; A603-A607 WeakPolarHBondContact O-CB 3.33Å; A603-A607 PolarHBondContact O-N 2.92Å; L604-A607 PolarHBondContact O-N 3.08Å; A607-C610 PolarHBondContact O-N 3.33Å; A607-L611 WeakPolarHBondContact O-CG 3.33Å; A607-L611 PolarHBondContact O-N 2.93Å; A607-L731 HydrophobicContact CB-CB 4.17Å; A607-L731 HydrophobicContact CB-CD1 3.93Å
608	H	88.2	Confident	89.2	Confident	58 Å²	58	54.1 Å²	54.1	27%	0.269	29%	0.29	S	S	.	.	H	α-helix	trans	-63.5	-50.1	173.8	-178.7	-178.5	0	0	0	111.5	L604 Q605 E606 C610 L611 K612 D628 F632	L604-H608 WeakPolarHBondContact O-CB 3.48Å; L604-H608 PolarHBondContact O-N 3.49Å; Q605-H608 PolarHBondContact O-N 3.49Å; E606-H608 PolarHBondContact O-N 3.12Å; H608-C610 VanDerWaalsContact C-N 3.26Å; H608-C610 PolarHBondContact O-N 3.25Å; H608-L611 PolarHBondContact O-N 3.04Å; H608-K612 WeakPolarHBondContact O-CB 3.41Å; H608-K612 PolarHBondContact O-N 3.39Å; H608-D628 IonicContact NE2-OD2 3.93Å; H608-F632 HydrophobicContact CB-CD2 4.43Å; H608-F632 HydrophobicContact CB-CE2 3.73Å; H608-F632 HydrophobicContact CB-CZ 3.92Å; H608-F632 AromaticContact CD2-CD2 3.34Å; H608-F632 WeakPolarHBondContact CD2-CD2 3.46Å; H608-F632 AromaticContact CD2-CE2 3.58Å; H608-F632 AromaticContact CD2-CG 3.84Å; H608-F632 AromaticContact CG-CD2 3.85Å; H608-F632 AromaticContact CG-CE2 3.61Å; H608-F632 AromaticContact CG-CZ 3.88Å; H608-F632 AromaticContact NE2-CD2 3.76Å; H608-F632 AromaticContact NE2-CG 3.75Å
609	L	90.6	Very high	89.2	Confident	71 Å²	71	56.7 Å²	56.7	37%	0.372	30%	0.302	S	S	.	.	H	α-helix	trans	-60.1	-36.1	176.9	-72	173.5	0	0	0	112.3	Q605 E606 R613	Q605-L609 WeakPolarHBondContact O-CB 3.22Å; Q605-L609 WeakPolarHBondContact O-CG 3.28Å; Q605-L609 PolarHBondContact O-N 3.09Å; E606-L609 PolarHBondContact O-N 3.38Å; L609-R613 WeakPolarHBondContact O-CB 3.44Å; L609-R613 WeakPolarHBondContact O-CD 3.34Å; L609-R613 WeakPolarHBondContact O-CG 3.35Å; L609-R613 PolarHBondContact O-N 2.84Å; L609-R613 VanDerWaalsContact O-N 3.08Å
610	C	92	Very high	88.7	Confident	19 Å²	19	59.5 Å²	59.5	13%	0.128	32%	0.317	C	S	.	.	H	α-helix	trans	-64.8	-51	173.5	-176.1	0	0	0	0	111.8	E606 A607 H608 K612 R613 H614 C729	E606-C610 VanDerWaalsContact O-CB 3.29Å; E606-C610 WeakPolarHBondContact O-CB 3.42Å; E606-C610 PolarHBondContact O-N 3.39Å; A607-C610 PolarHBondContact O-N 3.33Å; H608-C610 VanDerWaalsContact C-N 3.26Å; H608-C610 PolarHBondContact O-N 3.25Å; C610-K612 VanDerWaalsContact C-N 3.32Å; C610-K612 PolarHBondContact O-N 3.35Å; C610-R613 PolarHBondContact O-N 3.33Å; C610-R613 VanDerWaalsContact O-N 3.15Å; C610-H614 PolarHBondContact O-CD2 3.36Å; C610-H614 PolarHBondContact O-N 2.91Å; C610-C729 HydrophobicContact CB-CB 3.75Å; C610-C729 WeakPolarHBondContact CB-SG 3.38Å; C610-C729 PolarHBondContact O-SG 2.86Å; C610-C729 VanDerWaalsContact O-SG 3.35Å; C610-C729 WeakPolarHBondContact SG-CA 3.25Å; C610-C729 WeakPolarHBondContact SG-CB 3.47Å; C610-C729 PolarHBondContact SG-N 3.25Å; C610-C729 VanDerWaalsContact SG-N 3.35Å; C610-C729 CovalentContact SG-SG 2.05Å; C610-C729 PolarHBondContact SG-SG 2.91Å
611	L	91.1	Very high	87.7	Confident	3 Å²	3	58.8 Å²	58.8	2%	0.016	32%	0.316	C	S	.	.	H	α-helix	trans	-59.4	-44.9	-180	-75.9	174	0	0	0	111.1	A607 H608 R613 H614 Y615 F632 A636 V639 C729 L731	A607-L611 WeakPolarHBondContact O-CG 3.33Å; A607-L611 PolarHBondContact O-N 2.93Å; H608-L611 PolarHBondContact O-N 3.04Å; L611-R613 PolarHBondContact O-N 3.45Å; L611-H614 PolarHBondContact O-N 3.42Å; L611-H614 VanDerWaalsContact O-N 3.17Å; L611-Y615 HydrophobicContact CD2-CE2 4.48Å; L611-Y615 WeakPolarHBondContact O-CD2 3.22Å; L611-Y615 PolarHBondContact O-N 2.97Å; L611-F632 HydrophobicContact CD1-CE2 4.13Å; L611-A636 HydrophobicContact CD1-CB 4.43Å; L611-V639 HydrophobicContact CD2-CG1 4.44Å; L611-V639 HydrophobicContact CD2-CG2 3.83Å; L611-C729 HydrophobicContact CD2-CB 3.88Å; L611-C729 HydrophobicContact CG-CB 4.04Å; L611-C729 PolarHBondContact N-SG 3.14Å; L611-C729 VanDerWaalsContact N-SG 3.38Å; L611-L731 HydrophobicContact CD1-CD2 3.95Å
612	K	89.7	Confident	86.6	Confident	79 Å²	79	61.3 Å²	61.3	34%	0.343	34%	0.339	S	S	.	.	H	α-helix	trans	-52.5	-51.1	172.4	177.3	178.1	-155.3	113.5	0	112.3	H608 C610 H614 Y615 A616 D628	H608-K612 WeakPolarHBondContact O-CB 3.41Å; H608-K612 PolarHBondContact O-N 3.39Å; C610-K612 VanDerWaalsContact C-N 3.32Å; C610-K612 PolarHBondContact O-N 3.35Å; K612-H614 VanDerWaalsContact C-N 3.35Å; K612-H614 PolarHBondContact O-N 2.88Å; K612-Y615 PolarHBondContact O-N 3.06Å; K612-A616 WeakPolarHBondContact O-CB 3.21Å; K612-A616 PolarHBondContact O-N 3.41Å; K612-D628 WeakPolarHBondContact CA-OD1 3.2Å; K612-D628 WeakPolarHBondContact CB-OD1 3.47Å; K612-D628 WeakPolarHBondContact CD-OD2 3.35Å; K612-D628 WeakPolarHBondContact CE-OD2 3.42Å; K612-D628 HydrophobicContact CG-CB 4.47Å; K612-D628 WeakPolarHBondContact CG-OD2 3.26Å; K612-D628 IonicContact NZ-OD2 2.66Å; K612-D628 PolarHBondContact NZ-OD2 2.9Å
613	R	89.9	Confident	85.3	Confident	153 Å²	153	67.6 Å²	67.6	58%	0.577	36%	0.357	S	S	*	.	H	α-helix	trans	-61.5	-41.1	178	-72.4	168	-171.9	153.6	5.5	111.8	L609 C610 L611 A617	L609-R613 WeakPolarHBondContact O-CB 3.44Å; L609-R613 WeakPolarHBondContact O-CD 3.34Å; L609-R613 WeakPolarHBondContact O-CG 3.35Å; L609-R613 PolarHBondContact O-N 2.84Å; L609-R613 VanDerWaalsContact O-N 3.08Å; C610-R613 PolarHBondContact O-N 3.33Å; C610-R613 VanDerWaalsContact O-N 3.15Å; L611-R613 PolarHBondContact O-N 3.45Å; R613-A617 WeakPolarHBondContact O-CB 3.19Å; R613-A617 PolarHBondContact O-N 3.44Å
614	H	89.5	Confident	84.1	Confident	13 Å²	13	67.5 Å²	67.5	6%	0.06	35%	0.353	C	S	.	.	H	α-helix	trans	-64.8	-48	178.3	-84.7	-138.1	0	0	0	112	C610 L611 K612 A617 F618 P725 S727 C729	C610-H614 PolarHBondContact O-CD2 3.36Å; C610-H614 PolarHBondContact O-N 2.91Å; L611-H614 PolarHBondContact O-N 3.42Å; L611-H614 VanDerWaalsContact O-N 3.17Å; K612-H614 VanDerWaalsContact C-N 3.35Å; K612-H614 PolarHBondContact O-N 2.88Å; H614-A617 PolarHBondContact O-N 2.8Å; H614-F618 WeakPolarHBondContact O-CD2 3.47Å; H614-F618 WeakPolarHBondContact O-CE2 3.39Å; H614-P725 WeakPolarHBondContact CE1-CG 3.23Å; H614-S727 PolarHBondContact CE1-O 3.35Å; H614-S727 PolarHBondContact NE2-O 3.31Å; H614-C729 VanDerWaalsContact CD2-SG 3.54Å
615	Y	91.6	Very high	83	Confident	2 Å²	2	70.3 Å²	70.3	1%	0.008	38%	0.375	C	S	.	.	H	α-helix	trans	-68.2	-40.3	-179.9	-83.7	-114.1	0	0	0	111.8	L611 K612 A617 F618 F626 N635 V639 L699 P704	L611-Y615 HydrophobicContact CD2-CE2 4.48Å; L611-Y615 WeakPolarHBondContact O-CD2 3.22Å; L611-Y615 PolarHBondContact O-N 2.97Å; K612-Y615 PolarHBondContact O-N 3.06Å; Y615-A617 PolarHBondContact O-N 2.93Å; Y615-F618 PolarHBondContact O-N 3.38Å; Y615-F626 HydrophobicContact CD1-CE2 4.35Å; Y615-F626 HydrophobicContact CD1-CZ 4.2Å; Y615-F626 HydrophobicContact CG-CZ 4.36Å; Y615-N635 HydrophobicContact CD1-CB 4.44Å; Y615-N635 HydrophobicContact CE1-CB 3.81Å; Y615-N635 WeakPolarHBondContact CE1-OD1 3.45Å; Y615-N635 HydrophobicContact CE2-CB 4.02Å; Y615-N635 PolarHBondContact OH-O 3.45Å; Y615-V639 HydrophobicContact CE2-CG2 4.26Å; Y615-L699 HydrophobicContact CD1-CB 3.98Å; Y615-L699 HydrophobicContact CD1-CD1 4.31Å; Y615-L699 HydrophobicContact CE1-CB 4.2Å; Y615-P704 WeakPolarHBondContact OH-CD 3.48Å
616	A	89	Confident	82.2	Confident	69 Å²	69	66.6 Å²	66.6	57%	0.57	36%	0.357	S	S	*	.	H	α-helix	trans	-69.4	-13.6	177.7	0	0	0	0	0	114.6	K612 F618	K612-A616 WeakPolarHBondContact O-CB 3.21Å; K612-A616 PolarHBondContact O-N 3.41Å; A616-F618 VanDerWaalsContact C-N 3.33Å
617	A	90.3	Very high	81.6	Confident	52 Å²	52	66.4 Å²	66.4	43%	0.43	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-12.8	178.1	0	0	0	0	0	113.8	R613 H614 Y615 L722	R613-A617 WeakPolarHBondContact O-CB 3.19Å; R613-A617 PolarHBondContact O-N 3.44Å; H614-A617 PolarHBondContact O-N 2.8Å; Y615-A617 PolarHBondContact O-N 2.93Å; A617-L722 HydrophobicContact CB-CD2 4.18Å
618	F	89.3	Confident	81	Confident	15 Å²	15	66.8 Å²	66.8	7%	0.066	36%	0.36	C	S	.	.	S	Bend	trans	-90.4	136.7	179.7	-67.6	-76.3	0	0	0	111.6	H614 Y615 A616 L620 L699 H702 L722 L723	H614-F618 WeakPolarHBondContact O-CD2 3.47Å; H614-F618 WeakPolarHBondContact O-CE2 3.39Å; Y615-F618 PolarHBondContact O-N 3.38Å; A616-F618 VanDerWaalsContact C-N 3.33Å; F618-L620 PolarHBondContact O-N 2.94Å; F618-L699 HydrophobicContact CB-CD2 3.48Å; F618-L699 VanDerWaalsContact CB-CD2 3.48Å; F618-L699 HydrophobicContact CD2-CD2 4.25Å; F618-L699 HydrophobicContact CG-CD2 4.15Å; F618-H702 HydrophobicContact CD1-CB 3.71Å; F618-H702 AromaticContact CD1-CG 3.96Å; F618-H702 AromaticContact CD1-ND1 3.82Å; F618-H702 HydrophobicContact CD2-CB 4.05Å; F618-H702 HydrophobicContact CE1-CB 3.53Å; F618-H702 HydrophobicContact CE2-CB 3.88Å; F618-H702 HydrophobicContact CG-CB 3.99Å; F618-H702 HydrophobicContact CZ-CB 3.64Å; F618-L722 HydrophobicContact CD1-CB 4.35Å; F618-L722 HydrophobicContact CD1-CD1 4.31Å; F618-L722 HydrophobicContact CE1-CB 3.64Å; F618-L722 HydrophobicContact CE1-CD1 4.4Å; F618-L722 HydrophobicContact CZ-CB 4.18Å; F618-L722 WeakPolarHBondContact CZ-O 3.45Å; F618-L723 HydrophobicContact CE1-CD2 3.89Å; F618-L723 HydrophobicContact CE1-CG 4.46Å; F618-L723 HydrophobicContact CZ-CD2 3.96Å
619	P	84.5	Confident	80.6	Confident	105 Å²	105	68.4 Å²	68.4	68%	0.682	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-70.4	124.3	-179.8	28.5	-33.9	0	0	0	111.3
620	L	77.6	Confident	80.1	Confident	70 Å²	70	68.3 Å²	68.3	37%	0.366	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-79.3	140.8	174.7	-70.6	170.8	0	0	0	111.4	F618 T624 F626 L699	F618-L620 PolarHBondContact O-N 2.94Å; L620-T624 HydrophobicContact CD2-CG2 4.28Å; L620-F626 HydrophobicContact CD1-CB 3.71Å; L620-F626 HydrophobicContact CD2-CB 4.31Å; L620-L699 HydrophobicContact CD2-CD1 3.99Å; L620-L699 HydrophobicContact CD2-CG 4.4Å
621	P	71.2	Confident	80	Confident	60 Å²	60	67.6 Å²	67.6	39%	0.39	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-60.6	145.5	168.3	-19.7	30.8	0	0	0	111.4	R623 T624 H698	P621-R623 PolarHBondContact O-N 3.43Å; P621-T624 VanDerWaalsContact O-CB 3.27Å; P621-T624 WeakPolarHBondContact O-CB 3.3Å; P621-T624 PolarHBondContact O-N 3.21Å; P621-T624 PolarHBondContact O-OG1 3.32Å; P621-H698 WeakPolarHBondContact CD-CE1 3.25Å
622	S	61.8	Low	80	Confident	119 Å²	119	68.3 Å²	68.3	83%	0.832	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.1	132	178.1	-46.7	0	0	0	0	111.8	T624	S622-T624 VanDerWaalsContact C-N 3.34Å
623	R	61.5	Low	80.1	Confident	261 Å²	261	66.3 Å²	66.3	99%	0.985	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.8	11.4	-174.4	-47.8	179.1	176.9	-171.8	-2.9	116.5	P621	P621-R623 PolarHBondContact O-N 3.43Å
624	T	64.6	Low	80.3	Confident	29 Å²	29	59.8 Å²	59.8	18%	0.178	34%	0.344	C	S	.	.			trans	-93.1	124.2	169.7	-43.6	0	0	0	0	110	L620 P621 S622 P696	L620-T624 HydrophobicContact CD2-CG2 4.28Å; P621-T624 VanDerWaalsContact O-CB 3.27Å; P621-T624 WeakPolarHBondContact O-CB 3.3Å; P621-T624 PolarHBondContact O-N 3.21Å; P621-T624 PolarHBondContact O-OG1 3.32Å; S622-T624 VanDerWaalsContact C-N 3.34Å; T624-P696 HydrophobicContact CG2-CB 4.19Å; T624-P696 HydrophobicContact CG2-CG 3.71Å
625	S	65	Low	80.6	Confident	78 Å²	78	59.2 Å²	59.2	55%	0.545	34%	0.342	S	S	.	.			trans	-90.4	151.6	168.9	35.9	0	0	0	0	111.7	Q688	S625-Q688 PolarHBondContact O-NE2 3Å; S625-Q688 PolarHBondContact O-OE1 2.86Å; S625-Q688 PolarHBondContact OG-OE1 3.4Å
626	F	70.3	Confident	80.7	Confident	47 Å²	47	59.1 Å²	59.1	21%	0.206	34%	0.341	C	S	.	.			trans	-130.7	117.8	171.7	174.4	-115.3	0	0	0	109.1	Y615 L620 D628 T631 S695 L699	Y615-F626 HydrophobicContact CD1-CE2 4.35Å; Y615-F626 HydrophobicContact CD1-CZ 4.2Å; Y615-F626 HydrophobicContact CG-CZ 4.36Å; L620-F626 HydrophobicContact CD1-CB 3.71Å; L620-F626 HydrophobicContact CD2-CB 4.31Å; F626-D628 HydrophobicContact CD1-CB 4.48Å; F626-D628 HydrophobicContact CE1-CB 3.74Å; F626-D628 HydrophobicContact CZ-CB 4.03Å; F626-T631 HydrophobicContact CE2-CG2 4.4Å; F626-T631 WeakPolarHBondContact CE2-OG1 3.12Å; F626-S695 WeakPolarHBondContact CE2-OG 3.02Å; F626-L699 HydrophobicContact CD2-CD1 3.73Å; F626-L699 HydrophobicContact CE2-CD1 3.99Å; F626-L699 HydrophobicContact CG-CD1 4.09Å
627	N	77.8	Confident	81.1	Confident	86 Å²	86	55.9 Å²	55.9	46%	0.46	31%	0.314	S	S	.	.			trans	-106.8	96.6	173.9	-174.4	-14.2	0	0	0	108.7	S629 L630 T631	N627-S629 VanDerWaalsContact C-N 3.34Å; N627-S629 PolarHBondContact O-N 3.08Å; N627-S629 PolarHBondContact OD1-N 3.23Å; N627-L630 HydrophobicContact CB-CB 3.89Å; N627-L630 PolarHBondContact O-N 3.42Å; N627-L630 PolarHBondContact OD1-N 3.43Å; N627-T631 WeakPolarHBondContact O-CG2 3.36Å; N627-T631 PolarHBondContact O-N 2.96Å; N627-T631 PolarHBondContact O-OG1 3.38Å
628	D	76.1	Confident	81.3	Confident	13 Å²	13	53.6 Å²	53.6	7%	0.07	30%	0.295	C	S	.	.	H	α-helix	trans	-54.8	-46.1	179.2	176.9	70.2	0	0	0	112.4	H608 K612 F626 L630 T631 F632	H608-D628 IonicContact NE2-OD2 3.93Å; K612-D628 WeakPolarHBondContact CA-OD1 3.2Å; K612-D628 WeakPolarHBondContact CB-OD1 3.47Å; K612-D628 WeakPolarHBondContact CD-OD2 3.35Å; K612-D628 WeakPolarHBondContact CE-OD2 3.42Å; K612-D628 HydrophobicContact CG-CB 4.47Å; K612-D628 WeakPolarHBondContact CG-OD2 3.26Å; K612-D628 IonicContact NZ-OD2 2.66Å; K612-D628 PolarHBondContact NZ-OD2 2.9Å; F626-D628 HydrophobicContact CD1-CB 4.48Å; F626-D628 HydrophobicContact CE1-CB 3.74Å; F626-D628 HydrophobicContact CZ-CB 4.03Å; D628-L630 VanDerWaalsContact C-N 3.27Å; D628-L630 PolarHBondContact O-N 2.92Å; D628-T631 PolarHBondContact O-N 3.45Å; D628-T631 VanDerWaalsContact O-N 3.13Å; D628-T631 PolarHBondContact O-OG1 3.23Å; D628-F632 WeakPolarHBondContact O-CB 3.32Å; D628-F632 PolarHBondContact O-N 3.45Å
629	S	78.8	Confident	81.7	Confident	93 Å²	93	53.6 Å²	53.6	65%	0.65	30%	0.296	S	S	*	.	H	α-helix	trans	-64.2	-30.3	-180	-53.9	0	0	0	0	113.4	N627	N627-S629 VanDerWaalsContact C-N 3.34Å; N627-S629 PolarHBondContact O-N 3.08Å; N627-S629 PolarHBondContact OD1-N 3.23Å
630	L	81.5	Confident	82.2	Confident	69 Å²	69	48.6 Å²	48.6	36%	0.361	26%	0.263	S	S	.	.	H	α-helix	trans	-78.7	-32.6	175.9	-178.9	62.2	0	0	0	112.1	N627 D628 T693	N627-L630 HydrophobicContact CB-CB 3.89Å; N627-L630 PolarHBondContact O-N 3.42Å; N627-L630 PolarHBondContact OD1-N 3.43Å; D628-L630 VanDerWaalsContact C-N 3.27Å; D628-L630 PolarHBondContact O-N 2.92Å; L630-T693 HydrophobicContact CD1-CG2 4.06Å
631	T	88.6	Confident	83.1	Confident	3 Å²	3	45.3 Å²	45.3	2%	0.018	25%	0.247	C	C	.	.	H	α-helix	trans	-101.5	-9.6	-170.8	59.6	0	0	0	0	114.8	F626 N627 D628 L633 E634 N635 T693	F626-T631 HydrophobicContact CE2-CG2 4.4Å; F626-T631 WeakPolarHBondContact CE2-OG1 3.12Å; N627-T631 WeakPolarHBondContact O-CG2 3.36Å; N627-T631 PolarHBondContact O-N 2.96Å; N627-T631 PolarHBondContact O-OG1 3.38Å; D628-T631 PolarHBondContact O-N 3.45Å; D628-T631 VanDerWaalsContact O-N 3.13Å; D628-T631 PolarHBondContact O-OG1 3.23Å; T631-L633 VanDerWaalsContact C-N 3.33Å; T631-L633 PolarHBondContact O-N 2.84Å; T631-E634 PolarHBondContact O-N 2.88Å; T631-E634 VanDerWaalsContact O-N 3.13Å; T631-N635 WeakPolarHBondContact O-CB 3.4Å; T631-N635 PolarHBondContact O-N 2.95Å; T631-N635 PolarHBondContact O-ND2 2.97Å; T631-N635 PolarHBondContact O-OD1 2.86Å; T631-N635 PolarHBondContact OG1-ND2 3.44Å; T631-T693 VanDerWaalsContact CA-O 3.26Å; T631-T693 WeakPolarHBondContact CA-O 3.21Å; T631-T693 WeakPolarHBondContact CG2-O 3.3Å
632	F	91	Very high	84.4	Confident	18 Å²	18	42.5 Å²	42.5	8%	0.079	23%	0.228	C	C	.	.	H	α-helix	trans	-49.7	-46.9	-174.6	166.6	-113.5	0	0	0	114.1	L591 H608 L611 D628 N635 A636	L591-F632 HydrophobicContact CB-CE1 4.11Å; L591-F632 HydrophobicContact CD1-CE1 4.43Å; L591-F632 HydrophobicContact CD1-CZ 4.44Å; H608-F632 HydrophobicContact CB-CD2 4.43Å; H608-F632 HydrophobicContact CB-CE2 3.73Å; H608-F632 HydrophobicContact CB-CZ 3.92Å; H608-F632 AromaticContact CD2-CD2 3.34Å; H608-F632 WeakPolarHBondContact CD2-CD2 3.46Å; H608-F632 AromaticContact CD2-CE2 3.58Å; H608-F632 AromaticContact CD2-CG 3.84Å; H608-F632 AromaticContact CG-CD2 3.85Å; H608-F632 AromaticContact CG-CE2 3.61Å; H608-F632 AromaticContact CG-CZ 3.88Å; H608-F632 AromaticContact NE2-CD2 3.76Å; H608-F632 AromaticContact NE2-CG 3.75Å; L611-F632 HydrophobicContact CD1-CE2 4.13Å; D628-F632 WeakPolarHBondContact O-CB 3.32Å; D628-F632 PolarHBondContact O-N 3.45Å; F632-N635 PolarHBondContact O-N 3.22Å; F632-A636 WeakPolarHBondContact O-CB 3.37Å; F632-A636 PolarHBondContact O-N 2.86Å
633	L	92.9	Very high	86	Confident	38 Å²	38	37.7 Å²	37.7	20%	0.199	20%	0.196	C	C	.	.	H	α-helix	trans	-65.3	-42.9	-177.8	-64.7	176.7	0	0	0	111.8	Y588 L591 L592 T631 A636 A637	Y588-L633 HydrophobicContact CD1-CB 4.2Å; Y588-L633 HydrophobicContact CD1-CD2 4.32Å; Y588-L633 HydrophobicContact CD2-CB 4.06Å; Y588-L633 HydrophobicContact CD2-CD1 3.82Å; Y588-L633 HydrophobicContact CD2-CG 4.44Å; Y588-L633 HydrophobicContact CE1-CB 3.86Å; Y588-L633 WeakPolarHBondContact CE1-O 3.47Å; Y588-L633 HydrophobicContact CE2-CB 3.72Å; Y588-L633 HydrophobicContact CE2-CD1 4.23Å; Y588-L633 HydrophobicContact CG-CB 4.27Å; Y588-L633 HydrophobicContact CG-CD1 4.09Å; Y588-L633 HydrophobicContact CG-CD2 4.31Å; Y588-L633 HydrophobicContact CG-CG 4.47Å; Y588-L633 VanDerWaalsContact OH-C 3.27Å; Y588-L633 PolarHBondContact OH-O 2.9Å; L591-L633 HydrophobicContact CB-CD2 3.8Å; L591-L633 HydrophobicContact CD1-CD2 4.03Å; L592-L633 HydrophobicContact CD2-CD1 4.25Å; T631-L633 VanDerWaalsContact C-N 3.33Å; T631-L633 PolarHBondContact O-N 2.84Å; L633-A636 WeakPolarHBondContact O-CB 3.43Å; L633-A636 PolarHBondContact O-N 2.85Å; L633-A637 WeakPolarHBondContact O-CB 3.33Å; L633-A637 PolarHBondContact O-N 3.15Å
634	E	94	Very high	87.8	Confident	15 Å²	15	25.3 Å²	25.3	7%	0.07	15%	0.149	C	C	.	.	H	α-helix	trans	-66.5	-39.1	175.7	-61.9	-49.9	132.5	0	0	112.2	H581 H585 Y588 T631 A637 D638 T693 H694	H581-E634 IonicContact CE1-OE2 3.9Å; H581-E634 PolarHBondContact CE1-OE2 3.08Å; H581-E634 IonicContact NE2-OE2 3.35Å; H581-E634 PolarHBondContact NE2-OE2 2.99Å; H585-E634 IonicContact CE1-OE1 2.73Å; H585-E634 IonicContact CE1-OE2 2.85Å; Y588-E634 WeakPolarHBondContact CE2-OE1 3.42Å; Y588-E634 PolarHBondContact OH-N 3.42Å; Y588-E634 PolarHBondContact OH-OE1 2.88Å; Y588-E634 PolarHBondContact OH-OE2 3.46Å; T631-E634 PolarHBondContact O-N 2.88Å; T631-E634 VanDerWaalsContact O-N 3.13Å; E634-A637 PolarHBondContact O-N 2.74Å; E634-D638 PolarHBondContact O-N 3.4Å; E634-T693 WeakPolarHBondContact CG-O 3.42Å; E634-H694 IonicContact OE2-CD2 2.76Å; E634-H694 IonicContact OE2-NE2 3.89Å
635	N	94.5	Very high	89.4	Confident	2 Å²	2	24 Å²	24	1%	0.011	14%	0.141	C	C	.	.	H	α-helix	trans	-63.8	-42.5	175.5	-63.3	-21.7	0	0	0	111	Y615 T631 F632 D638 V639 S695	Y615-N635 HydrophobicContact CD1-CB 4.44Å; Y615-N635 HydrophobicContact CE1-CB 3.81Å; Y615-N635 WeakPolarHBondContact CE1-OD1 3.45Å; Y615-N635 HydrophobicContact CE2-CB 4.02Å; Y615-N635 PolarHBondContact OH-O 3.45Å; T631-N635 WeakPolarHBondContact O-CB 3.4Å; T631-N635 PolarHBondContact O-N 2.95Å; T631-N635 PolarHBondContact O-ND2 2.97Å; T631-N635 PolarHBondContact O-OD1 2.86Å; T631-N635 PolarHBondContact OG1-ND2 3.44Å; F632-N635 PolarHBondContact O-N 3.22Å; N635-D638 PolarHBondContact O-N 2.87Å; N635-V639 VanDerWaalsContact O-CG2 3.23Å; N635-V639 WeakPolarHBondContact O-CG2 3.48Å; N635-V639 PolarHBondContact O-N 3.12Å; N635-S695 PolarHBondContact ND2-OG 3.36Å; N635-S695 VanDerWaalsContact OD1-CB 3.27Å; N635-S695 WeakPolarHBondContact OD1-CB 3.29Å; N635-S695 PolarHBondContact OD1-OG 2.89Å
636	A	95.1	Very high	90.9	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-61.6	-44.8	172.8	0	0	0	0	0	111.4	L591 L611 F632 L633 V639 G640 L731 W732	L591-A636 HydrophobicContact CD1-CB 3.89Å; L611-A636 HydrophobicContact CD1-CB 4.43Å; F632-A636 WeakPolarHBondContact O-CB 3.37Å; F632-A636 PolarHBondContact O-N 2.86Å; L633-A636 WeakPolarHBondContact O-CB 3.43Å; L633-A636 PolarHBondContact O-N 2.85Å; A636-V639 PolarHBondContact O-N 2.98Å; A636-G640 PolarHBondContact O-N 3.18Å; A636-L731 HydrophobicContact CB-CD2 3.57Å; A636-W732 PolarHBondContact O-NE1 3.27Å
637	A	96.1	Very high	92.2	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-63.8	-38.9	177.5	0	0	0	0	0	112.8	H581 L584 Y588 L633 E634 G641	H581-A637 WeakPolarHBondContact ND1-CB 3.27Å; L584-A637 HydrophobicContact CB-CB 4.2Å; L584-A637 WeakPolarHBondContact CD1-O 3.48Å; Y588-A637 HydrophobicContact CE1-CB 4.16Å; L633-A637 WeakPolarHBondContact O-CB 3.33Å; L633-A637 PolarHBondContact O-N 3.15Å; E634-A637 PolarHBondContact O-N 2.74Å; A637-G641 WeakPolarHBondContact O-CA 3.34Å; A637-G641 PolarHBondContact O-N 3.39Å
638	D	96.3	Very high	93.2	Very high	4 Å²	4	17.3 Å²	17.3	2%	0.021	10%	0.1	C	C	.	.	H	α-helix	trans	-65.7	-46.6	175.1	-82.5	-16.2	0	0	0	112.9	H581 E634 N635 G641 L642 R700 P704	H581-D638 IonicContact CE1-OD1 3.98Å; H581-D638 PolarHBondContact CE1-OD1 3.38Å; H581-D638 IonicContact ND1-OD1 3.26Å; H581-D638 PolarHBondContact ND1-OD1 3.31Å; E634-D638 PolarHBondContact O-N 3.4Å; N635-D638 PolarHBondContact O-N 2.87Å; D638-G641 PolarHBondContact O-N 3.08Å; D638-L642 PolarHBondContact O-N 3Å; D638-R700 IonicContact OD1-CZ 2.78Å; D638-R700 IonicContact OD1-NE 2.67Å; D638-R700 IonicContact OD1-NH2 2.67Å; D638-R700 PolarHBondContact OD1-NH2 3.48Å; D638-R700 WeakPolarHBondContact OD2-CG 3.25Å; D638-R700 IonicContact OD2-CZ 3.05Å; D638-R700 IonicContact OD2-NE 3.9Å; D638-R700 PolarHBondContact OD2-NE 3.3Å; D638-R700 IonicContact OD2-NH2 3.99Å; D638-R700 PolarHBondContact OD2-NH2 3.41Å; D638-P704 HydrophobicContact CB-CG 3.68Å
639	V	95.9	Very high	94.2	Very high	15 Å²	15	16.7 Å²	16.7	9%	0.091	10%	0.097	C	C	.	.	H	α-helix	trans	-61.8	-48.7	178.6	171.6	0	0	0	0	110.7	L611 Y615 N635 A636 A643 P704	L611-V639 HydrophobicContact CD2-CG1 4.44Å; L611-V639 HydrophobicContact CD2-CG2 3.83Å; Y615-V639 HydrophobicContact CE2-CG2 4.26Å; N635-V639 VanDerWaalsContact O-CG2 3.23Å; N635-V639 WeakPolarHBondContact O-CG2 3.48Å; N635-V639 PolarHBondContact O-N 3.12Å; A636-V639 PolarHBondContact O-N 2.98Å; V639-A643 PolarHBondContact O-N 3.43Å; V639-P704 HydrophobicContact CG2-CB 4.33Å; V639-P704 HydrophobicContact CG2-CG 4.09Å
640	G	95.8	Very high	95	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-68	-40.3	177.9	0	0	0	0	0	112.6	A636 L642 A643 I644 W732	A636-G640 PolarHBondContact O-N 3.18Å; G640-L642 PolarHBondContact O-N 3.03Å; G640-A643 PolarHBondContact O-N 3.26Å; G640-A643 VanDerWaalsContact O-N 3.15Å; G640-I644 WeakPolarHBondContact O-CB 3.36Å; G640-I644 WeakPolarHBondContact O-CD1 3.48Å; G640-I644 VanDerWaalsContact O-CG1 3.27Å; G640-I644 WeakPolarHBondContact O-CG1 3.44Å; G640-I644 PolarHBondContact O-N 3.14Å; G640-W732 VanDerWaalsContact CA-CD1 3.46Å
641	G	97.4	Very high	95.6	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.01	8%	0.078	C	C	.	.	H	α-helix	trans	-60.3	-45.6	-179.2	0	0	0	0	0	112.2	A580 A637 D638 A645	A580-G641 VanDerWaalsContact CB-O 3.26Å; A580-G641 WeakPolarHBondContact CB-O 3.46Å; A637-G641 WeakPolarHBondContact O-CA 3.34Å; A637-G641 PolarHBondContact O-N 3.39Å; D638-G641 PolarHBondContact O-N 3.08Å; G641-A645 VanDerWaalsContact O-CB 3.25Å; G641-A645 WeakPolarHBondContact O-CB 2.98Å; G641-A645 PolarHBondContact O-N 3.33Å
642	L	97.5	Very high	95.8	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-61.6	-44.5	173.2	179.4	62.3	0	0	0	112.1	D638 G640 A645 L646 F673 F674 Y677 P704 L705	D638-L642 PolarHBondContact O-N 3Å; G640-L642 PolarHBondContact O-N 3.03Å; L642-A645 PolarHBondContact O-N 3.32Å; L642-L646 WeakPolarHBondContact O-CB 3.48Å; L642-L646 PolarHBondContact O-N 2.05Å; L642-F673 HydrophobicContact CD1-CE1 3.6Å; L642-F673 HydrophobicContact CD1-CZ 3.92Å; L642-F674 HydrophobicContact CD1-CD1 4.26Å; L642-F674 HydrophobicContact CD1-CE1 4.3Å; L642-F674 HydrophobicContact CD2-CE1 4.47Å; L642-Y677 HydrophobicContact CB-CE2 4.21Å; L642-Y677 HydrophobicContact CD1-CD1 3.98Å; L642-Y677 HydrophobicContact CD1-CD2 3.84Å; L642-Y677 HydrophobicContact CD1-CE1 4.37Å; L642-Y677 HydrophobicContact CD1-CE2 4.23Å; L642-Y677 HydrophobicContact CD1-CG 3.69Å; L642-Y677 HydrophobicContact CD2-CD1 4.2Å; L642-Y677 HydrophobicContact CD2-CE1 4Å; L642-P704 HydrophobicContact CB-CB 4.33Å; L642-P704 HydrophobicContact CD2-CB 3.74Å; L642-L705 HydrophobicContact CD2-CD2 3.86Å; L642-L705 HydrophobicContact CD2-CG 4.5Å
643	A	96.1	Very high	95.7	Very high	19 Å²	19	20 Å²	20	16%	0.157	10%	0.102	C	C	.	.	H	α-helix	trans	-65.3	-43.3	-179	0	0	0	0	0	112.6	V639 G640 L646 Q647	V639-A643 PolarHBondContact O-N 3.43Å; G640-A643 PolarHBondContact O-N 3.26Å; G640-A643 VanDerWaalsContact O-N 3.15Å; A643-L646 PolarHBondContact O-N 3.38Å; A643-Q647 WeakPolarHBondContact O-CB 3.44Å; A643-Q647 PolarHBondContact O-N 3.35Å
644	I	97.7	Very high	95.5	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	13%	0.13	C	C	.	.	H	α-helix	trans	-66.1	-44.6	176.8	-68.3	160.6	0	0	0	110.5	I446 A449 L450 A580 L584 G640 L646 Q647 A648	I446-I644 HydrophobicContact CG2-CG2 4.11Å; A449-I644 HydrophobicContact CB-CG2 4.08Å; L450-I644 HydrophobicContact CB-CD1 4.28Å; L450-I644 HydrophobicContact CB-CG2 4.15Å; L450-I644 HydrophobicContact CD1-CD1 3.75Å; A580-I644 HydrophobicContact CB-CB 4.01Å; A580-I644 HydrophobicContact CB-CG2 3.95Å; L584-I644 HydrophobicContact CD1-CD1 4.01Å; L584-I644 HydrophobicContact CD2-CD1 3.93Å; L584-I644 HydrophobicContact CG-CD1 4.13Å; G640-I644 WeakPolarHBondContact O-CB 3.36Å; G640-I644 WeakPolarHBondContact O-CD1 3.48Å; G640-I644 VanDerWaalsContact O-CG1 3.27Å; G640-I644 WeakPolarHBondContact O-CG1 3.44Å; G640-I644 PolarHBondContact O-N 3.14Å; I644-L646 VanDerWaalsContact C-N 3.33Å; I644-L646 PolarHBondContact O-N 3.35Å; I644-Q647 WeakPolarHBondContact O-CB 3.27Å; I644-Q647 PolarHBondContact O-N 2.98Å; I644-A648 WeakPolarHBondContact O-CB 3.41Å; I644-A648 PolarHBondContact O-N 2.98Å
645	A	98.5	Very high	95	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-62	-40.3	177.2	0	0	0	0	0	112.3	I446 G641 L642 A648 Y649 F673	I446-A645 HydrophobicContact CD1-CB 3.98Å; G641-A645 VanDerWaalsContact O-CB 3.25Å; G641-A645 WeakPolarHBondContact O-CB 2.98Å; G641-A645 PolarHBondContact O-N 3.33Å; L642-A645 PolarHBondContact O-N 3.32Å; A645-A648 PolarHBondContact O-N 2.83Å; A645-Y649 WeakPolarHBondContact O-CB 3.35Å; A645-Y649 PolarHBondContact O-N 2.75Å; A645-F673 HydrophobicContact CB-CE2 4.17Å; A645-F673 HydrophobicContact CB-CZ 4.06Å
646	L	97.7	Very high	94.4	Very high	20 Å²	20	36.3 Å²	36.3	11%	0.105	17%	0.174	C	C	.	.	H	α-helix	trans	-65.9	-40.4	174.5	179.6	66.6	0	0	0	112.1	L642 A643 I644 Y649 S650 F673 F674 T708 A710	L642-L646 WeakPolarHBondContact O-CB 3.48Å; L642-L646 PolarHBondContact O-N 2.05Å; A643-L646 PolarHBondContact O-N 3.38Å; I644-L646 VanDerWaalsContact C-N 3.33Å; I644-L646 PolarHBondContact O-N 3.35Å; L646-Y649 PolarHBondContact O-N 3.33Å; L646-S650 WeakPolarHBondContact O-CB 3.3Å; L646-S650 PolarHBondContact O-N 3.49Å; L646-S650 PolarHBondContact O-OG 2.86Å; L646-F673 VanDerWaalsContact CA-CZ 3.5Å; L646-F673 HydrophobicContact CB-CE1 3.79Å; L646-F673 HydrophobicContact CB-CE2 4.5Å; L646-F673 HydrophobicContact CB-CZ 3.66Å; L646-F673 HydrophobicContact CD1-CD1 3.93Å; L646-F673 HydrophobicContact CD1-CE1 3.78Å; L646-F673 HydrophobicContact CD1-CZ 4.22Å; L646-F673 HydrophobicContact CG-CE1 4.32Å; L646-F674 HydrophobicContact CD1-CE2 4.47Å; L646-F674 HydrophobicContact CD1-CZ 4Å; L646-F674 HydrophobicContact CD2-CZ 3.96Å; L646-T708 HydrophobicContact CD2-CG2 3.94Å; L646-A710 HydrophobicContact CD2-CB 3.58Å
647	Q	96.9	Very high	93.6	Very high	48 Å²	48	44.9 Å²	44.9	22%	0.224	21%	0.213	C	C	.	.	H	α-helix	trans	-63.4	-44.2	175.7	179.5	179.8	-29	0	0	111.1	A449 A643 I644 S650 K651	A449-Q647 HydrophobicContact CB-CG 4.32Å; A449-Q647 PolarHBondContact O-NE2 3.44Å; A449-Q647 VanDerWaalsContact O-NE2 3.13Å; A643-Q647 WeakPolarHBondContact O-CB 3.44Å; A643-Q647 PolarHBondContact O-N 3.35Å; I644-Q647 WeakPolarHBondContact O-CB 3.27Å; I644-Q647 PolarHBondContact O-N 2.98Å; Q647-S650 PolarHBondContact O-N 3.23Å; Q647-K651 WeakPolarHBondContact O-CB 3.46Å; Q647-K651 PolarHBondContact O-N 3.47Å
648	A	98	Very high	92.9	Very high	3 Å²	3	47.8 Å²	47.8	3%	0.025	24%	0.243	C	C	.	.	H	α-helix	trans	-63.2	-44	175.9	0	0	0	0	0	112	A445 I446 A449 F572 I644 A645 K651 R652	A445-A648 WeakPolarHBondContact O-CB 3.4Å; I446-A648 HydrophobicContact CD1-CB 3.85Å; A449-A648 HydrophobicContact CB-CB 3.66Å; F572-A648 HydrophobicContact CD1-CB 3.95Å; F572-A648 HydrophobicContact CE1-CB 3.61Å; I644-A648 WeakPolarHBondContact O-CB 3.41Å; I644-A648 PolarHBondContact O-N 2.98Å; A645-A648 PolarHBondContact O-N 2.83Å; A648-K651 PolarHBondContact O-N 3.42Å; A648-R652 WeakPolarHBondContact O-CB 3.45Å; A648-R652 PolarHBondContact O-N 3.39Å
649	Y	97.7	Very high	92.6	Very high	1 Å²	1	48.6 Å²	48.6	0%	0.004	25%	0.247	C	C	.	.	H	α-helix	trans	-62	-45.2	175	177.2	-131	0	0	0	111.9	R568 A569 F572 A645 L646 K651 R652 L653 P669 F673	R568-Y649 HydrophobicContact CB-CE2 4.15Å; A569-Y649 HydrophobicContact CB-CE1 4.46Å; A569-Y649 HydrophobicContact CB-CE2 4.38Å; F572-Y649 HydrophobicContact CB-CD2 4.32Å; F572-Y649 HydrophobicContact CB-CG 4.21Å; F572-Y649 AromaticContact CD2-CD2 3.98Å; F572-Y649 HydrophobicContact CD2-CD2 3.98Å; F572-Y649 HydrophobicContact CG-CD2 4.23Å; F572-Y649 HydrophobicContact CG-CG 4.36Å; A645-Y649 WeakPolarHBondContact O-CB 3.35Å; A645-Y649 PolarHBondContact O-N 2.75Å; L646-Y649 PolarHBondContact O-N 3.33Å; Y649-K651 PolarHBondContact O-N 3.49Å; Y649-R652 WeakPolarHBondContact O-CA 3.48Å; Y649-R652 VanDerWaalsContact O-CB 3.32Å; Y649-R652 WeakPolarHBondContact O-CB 3.43Å; Y649-R652 PolarHBondContact O-N 3.19Å; Y649-L653 HydrophobicContact CD1-CD1 4.38Å; Y649-L653 HydrophobicContact CD2-CG 4.37Å; Y649-L653 HydrophobicContact CE1-CD1 3.94Å; Y649-L653 HydrophobicContact CE2-CD1 4.15Å; Y649-L653 HydrophobicContact CE2-CD2 4.05Å; Y649-L653 HydrophobicContact CE2-CG 3.94Å; Y649-L653 PolarHBondContact O-N 3.48Å; Y649-P669 VanDerWaalsContact OH-CB 3.23Å; Y649-P669 WeakPolarHBondContact OH-CB 3.21Å; Y649-F673 HydrophobicContact CD1-CB 4.32Å; Y649-F673 AromaticContact CD1-CD2 3.9Å; Y649-F673 HydrophobicContact CD1-CD2 3.9Å; Y649-F673 HydrophobicContact CD1-CG 4.21Å; Y649-F673 HydrophobicContact CE1-CB 4.22Å; Y649-F673 HydrophobicContact CG-CD2 4.26Å
650	S	95.4	Very high	92.4	Very high	48 Å²	48	50.2 Å²	50.2	34%	0.336	26%	0.257	S	S	.	.	H	α-helix	trans	-61.6	-42.5	177	-56.6	0	0	0	0	111.8	L646 Q647 R652 L653 L654	L646-S650 WeakPolarHBondContact O-CB 3.3Å; L646-S650 PolarHBondContact O-N 3.49Å; L646-S650 PolarHBondContact O-OG 2.86Å; Q647-S650 PolarHBondContact O-N 3.23Å; S650-R652 VanDerWaalsContact C-N 3.28Å; S650-R652 PolarHBondContact O-N 2.84Å; S650-L653 PolarHBondContact O-N 2.8Å; S650-L654 PolarHBondContact O-N 3.34Å
651	K	94.9	Very high	92.3	Very high	66 Å²	66	51.2 Å²	51.2	29%	0.287	26%	0.263	S	S	.	.	H	α-helix	trans	-64.1	-31.6	173.4	-170.7	177.6	-176.2	178.8	0	112.3	Q647 A648 Y649	Q647-K651 WeakPolarHBondContact O-CB 3.46Å; Q647-K651 PolarHBondContact O-N 3.47Å; A648-K651 PolarHBondContact O-N 3.42Å; Y649-K651 PolarHBondContact O-N 3.49Å
652	R	92.4	Very high	92.1	Very high	91 Å²	91	51.4 Å²	51.4	34%	0.343	26%	0.263	S	S	.	.	H	α-helix	trans	-70.5	-42.8	175.8	-169.3	72.5	-176.3	177.6	7	111.9	F572 A648 Y649 S650 L654 R655 H656	F572-R652 HydrophobicContact CE2-CB 4.18Å; F572-R652 HydrophobicContact CE2-CG 4.01Å; F572-R652 HydrophobicContact CZ-CB 4.1Å; F572-R652 HydrophobicContact CZ-CG 4.19Å; A648-R652 WeakPolarHBondContact O-CB 3.45Å; A648-R652 PolarHBondContact O-N 3.39Å; Y649-R652 WeakPolarHBondContact O-CA 3.48Å; Y649-R652 VanDerWaalsContact O-CB 3.32Å; Y649-R652 WeakPolarHBondContact O-CB 3.43Å; Y649-R652 PolarHBondContact O-N 3.19Å; S650-R652 VanDerWaalsContact C-N 3.28Å; S650-R652 PolarHBondContact O-N 2.84Å; R652-L654 VanDerWaalsContact C-N 3.29Å; R652-L654 PolarHBondContact O-N 3.31Å; R652-R655 PolarHBondContact O-N 2.88Å; R652-R655 VanDerWaalsContact O-N 3.09Å; R652-H656 PolarHBondContact NE-CD2 3.42Å; R652-H656 VanDerWaalsContact NE-CD2 3.25Å; R652-H656 PolarHBondContact NH1-NE2 3.47Å; R652-H656 PolarHBondContact NH2-NE2 3.4Å; R652-H656 VanDerWaalsContact NH2-NE2 3.18Å; R652-H656 PolarHBondContact O-N 3.05Å; R652-H656 VanDerWaalsContact O-N 3.12Å
653	L	89.5	Confident	91.8	Very high	48 Å²	48	52.3 Å²	52.3	25%	0.251	27%	0.269	S	S	.	.	H	α-helix	trans	-58.1	-38.7	176.6	-73	170	0	0	0	112.5	Y649 S650 R655 E659	Y649-L653 HydrophobicContact CD1-CD1 4.38Å; Y649-L653 HydrophobicContact CD2-CG 4.37Å; Y649-L653 HydrophobicContact CE1-CD1 3.94Å; Y649-L653 HydrophobicContact CE2-CD1 4.15Å; Y649-L653 HydrophobicContact CE2-CD2 4.05Å; Y649-L653 HydrophobicContact CE2-CG 3.94Å; Y649-L653 PolarHBondContact O-N 3.48Å; S650-L653 PolarHBondContact O-N 2.8Å; L653-R655 VanDerWaalsContact C-N 3.25Å; L653-R655 PolarHBondContact O-N 2.83Å; L653-E659 HydrophobicContact CD2-CG 3.43Å; L653-E659 VanDerWaalsContact CD2-CG 3.43Å; L653-E659 WeakPolarHBondContact CD2-OE1 3.06Å
654	L	88.2	Confident	91.4	Very high	149 Å²	149	55.7 Å²	55.7	78%	0.78	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-22.9	177.1	-67	172.7	0	0	0	113.9	S650 R652	S650-L654 PolarHBondContact O-N 3.34Å; R652-L654 VanDerWaalsContact C-N 3.29Å; R652-L654 PolarHBondContact O-N 3.31Å
655	R	84.6	Confident	91	Very high	173 Å²	173	57 Å²	57	65%	0.653	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	-16.8	-176.3	-70.5	-178.5	173.2	-174.9	-4.4	114.1	R652 L653	R652-R655 PolarHBondContact O-N 2.88Å; R652-R655 VanDerWaalsContact O-N 3.09Å; L653-R655 VanDerWaalsContact C-N 3.25Å; L653-R655 PolarHBondContact O-N 2.83Å
656	H	81.6	Confident	90.6	Very high	75 Å²	75	64.5 Å²	64.5	35%	0.347	34%	0.339	S	S	.	.			trans	-138.6	111.7	-175.8	-64.7	-77.9	0	0	0	110.9	R568 R652	R568-H656 PolarHBondContact NH2-O 3.17Å; R652-H656 PolarHBondContact NE-CD2 3.42Å; R652-H656 VanDerWaalsContact NE-CD2 3.25Å; R652-H656 PolarHBondContact NH1-NE2 3.47Å; R652-H656 PolarHBondContact NH2-NE2 3.4Å; R652-H656 VanDerWaalsContact NH2-NE2 3.18Å; R652-H656 PolarHBondContact O-N 3.05Å; R652-H656 VanDerWaalsContact O-N 3.12Å
657	H	77.3	Confident	90.4	Very high	180 Å²	180	65 Å²	65	83%	0.833	34%	0.342	S	S	*	.			trans	-69.6	157.2	172.4	-54.8	-55.3	0	0	0	111.8
658	G	81.9	Confident	90.3	Very high	61 Å²	61	64.6 Å²	64.6	63%	0.629	34%	0.344	S	S	*	.			trans	74.3	108.7	-179.1	0	0	0	0	0	113.1	R568	R568-G658 PolarHBondContact NH1-O 3.37Å; R568-G658 PolarHBondContact NH2-O 2.85Å
659	E	88.9	Confident	90.1	Very high	20 Å²	20	65 Å²	65	9%	0.093	35%	0.347	C	S	.	.			trans	-98.6	157.9	164.9	-80.3	-62.8	141.8	0	0	110.3	P74 R75 R568 L653 P669	P74-E659 VanDerWaalsContact CA-O 3.28Å; P74-E659 WeakPolarHBondContact CA-O 3.27Å; P74-E659 HydrophobicContact CB-CB 4.19Å; R75-E659 PolarHBondContact N-O 3.16Å; R568-E659 IonicContact CZ-OE1 3.05Å; R568-E659 IonicContact NE-OE1 3.05Å; R568-E659 PolarHBondContact NE-OE1 2.84Å; R568-E659 IonicContact NE-OE2 3.77Å; R568-E659 IonicContact NH2-OE1 2.68Å; R568-E659 PolarHBondContact NH2-OE1 3.07Å; L653-E659 HydrophobicContact CD2-CG 3.43Å; L653-E659 VanDerWaalsContact CD2-CG 3.43Å; L653-E659 WeakPolarHBondContact CD2-OE1 3.06Å; E659-P669 HydrophobicContact CB-CB 4.43Å; E659-P669 HydrophobicContact CB-CG 4.11Å; E659-P669 HydrophobicContact CG-CB 4.36Å; E659-P669 HydrophobicContact CG-CG 4.46Å
660	T	91.9	Very high	90	Very high	50 Å²	50	67.5 Å²	67.5	31%	0.307	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	156.2	162.7	53.6	0	0	0	0	110.2	R75 P567	R75-T660 CarbonylContact O-C 3.44Å; R75-T660 WeakPolarHBondContact O-CA 3.22Å; R75-T660 WeakPolarHBondContact O-CB 3.04Å; P567-T660 WeakPolarHBondContact CA-OG1 3.46Å; P567-T660 WeakPolarHBondContact CB-O 3.41Å
661	V	93.9	Very high	90	Very high	21 Å²	21	67.1 Å²	67.1	13%	0.127	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	156.4	173.9	-74.9	0	0	0	0	110.4	P74 R75 C77 P669 I672	P74-V661 HydrophobicContact CB-CG1 3.81Å; P74-V661 HydrophobicContact CB-CG2 4.3Å; P74-V661 HydrophobicContact CG-CG1 3.84Å; P74-V661 HydrophobicContact CG-CG2 4.32Å; R75-V661 PolarHBondContact O-N 3.5Å; C77-V661 PolarHBondContact N-O 2.76Å; V661-P669 HydrophobicContact CG1-CG 3.71Å; V661-I672 HydrophobicContact CB-CD1 3.91Å; V661-I672 HydrophobicContact CG1-CD1 3.92Å
662	L	93.9	Very high	90.1	Very high	4 Å²	4	64 Å²	64	2%	0.021	34%	0.338	C	S	.	.			trans	-70.6	124.9	165.7	-63	176.7	0	0	0	107.9	C82 L85 Y89 P567 V570 L665 I672	C82-L662 HydrophobicContact CB-CD2 4.12Å; L85-L662 HydrophobicContact CD2-CD1 3.92Å; L85-L662 HydrophobicContact CD2-CD2 4.16Å; L85-L662 HydrophobicContact CG-CD1 4.11Å; Y89-L662 HydrophobicContact CD2-CD1 3.73Å; Y89-L662 HydrophobicContact CE2-CD1 3.7Å; P567-L662 HydrophobicContact CG-CD2 4.08Å; P567-L662 HydrophobicContact CG-CG 4.29Å; V570-L662 HydrophobicContact CG2-CD1 4.11Å; V570-L662 HydrophobicContact CG2-CG 4.37Å; L662-L665 HydrophobicContact CB-CD1 3.69Å; L662-L665 HydrophobicContact CB-CG 4.14Å; L662-L665 HydrophobicContact CD1-CD1 3.79Å; L662-L665 HydrophobicContact CG-CD1 4.37Å; L662-I672 HydrophobicContact CB-CD1 4.35Å
663	P	91.4	Very high	90.4	Very high	20 Å²	20	59.7 Å²	59.7	13%	0.13	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	153.2	-177.2	24.2	-30.5	0	0	0	111.3	P76 C77 L83 R86 L665	P76-P663 HydrophobicContact CB-CB 4.09Å; C77-P663 WeakPolarHBondContact O-CD 3.29Å; L83-P663 HydrophobicContact CD2-CG 3.97Å; R86-P663 WeakPolarHBondContact CD-O 3.34Å; R86-P663 VanDerWaalsContact CG-O 3.27Å; R86-P663 WeakPolarHBondContact CG-O 3.48Å; P663-L665 VanDerWaalsContact C-N 3.26Å; P663-L665 PolarHBondContact O-N 2.9Å
664	S	88.1	Confident	90.8	Very high	90 Å²	90	57.4 Å²	57.4	63%	0.629	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	25.3	171.9	-45.9	0	0	0	0	116.4
665	L	89.4	Confident	91.2	Very high	29 Å²	29	50.9 Å²	50.9	15%	0.152	27%	0.274	C	S	.	.	S	Bend	trans	-101	-12.8	169.5	-65.5	-169.7	0	0	0	114.1	R86 Y89 L90 L662 P663 L667	R86-L665 HydrophobicContact CG-CD2 4.03Å; R86-L665 HydrophobicContact CG-CG 4.31Å; Y89-L665 HydrophobicContact CD2-CD1 3.91Å; L90-L665 HydrophobicContact CD1-CD2 4.5Å; L90-L665 HydrophobicContact CD2-CD2 3.64Å; L90-L665 HydrophobicContact CG-CD2 3.76Å; L662-L665 HydrophobicContact CB-CD1 3.69Å; L662-L665 HydrophobicContact CB-CG 4.14Å; L662-L665 HydrophobicContact CD1-CD1 3.79Å; L662-L665 HydrophobicContact CG-CD1 4.37Å; P663-L665 VanDerWaalsContact C-N 3.26Å; P663-L665 PolarHBondContact O-N 2.9Å; L665-L667 HydrophobicContact CB-CG 4.41Å; L665-L667 WeakPolarHBondContact O-CG 3.49Å; L665-L667 PolarHBondContact O-N 3.34Å; L665-L667 VanDerWaalsContact O-N 3.12Å
666	D	89.3	Confident	91.8	Very high	158 Å²	158	42.6 Å²	42.6	85%	0.845	24%	0.243	S	C	*	.			trans	52.5	28.9	-174.5	-55.3	-29.3	0	0	0	114.8
667	L	93.6	Very high	92.5	Very high	31 Å²	31	39.1 Å²	39.1	16%	0.162	23%	0.227	C	C	.	.			trans	-110.6	137.8	177	-64.4	-174.2	0	0	0	111.7	F106 L665 Q671 I672 R675 F715	F106-L667 HydrophobicContact CZ-CD2 4.45Å; L665-L667 HydrophobicContact CB-CG 4.41Å; L665-L667 WeakPolarHBondContact O-CG 3.49Å; L665-L667 PolarHBondContact O-N 3.34Å; L665-L667 VanDerWaalsContact O-N 3.12Å; L667-Q671 HydrophobicContact CB-CB 3.94Å; L667-Q671 HydrophobicContact CD2-CB 4.08Å; L667-Q671 HydrophobicContact CG-CB 4.4Å; L667-I672 HydrophobicContact CB-CG1 3.74Å; L667-R675 HydrophobicContact CD1-CB 4.04Å; L667-R675 HydrophobicContact CD1-CG 4.15Å; L667-F715 HydrophobicContact CD2-CE1 4.36Å
668	S	93.6	Very high	93.4	Very high	38 Å²	38	30.6 Å²	30.6	27%	0.266	19%	0.187	S	C	.	.			trans	-66.4	161.5	170.5	90.5	0	0	0	0	111.7	Q670 Q671 I672	S668-Q670 PolarHBondContact O-N 3.43Å; S668-Q670 VanDerWaalsContact O-N 3.12Å; S668-Q670 PolarHBondContact OG-N 2.84Å; S668-Q670 PolarHBondContact OG-OE1 3.34Å; S668-Q671 PolarHBondContact O-N 2.85Å; S668-Q671 PolarHBondContact OG-N 2.67Å; S668-I672 WeakPolarHBondContact O-CG1 3.46Å; S668-I672 PolarHBondContact O-N 2.84Å
669	P	94.3	Very high	93.8	Very high	13 Å²	13	28 Å²	28	8%	0.084	16%	0.159	C	C	.	.	H	α-helix	trans	-52.6	-36.1	173.8	-25.6	33	0	0	0	113.4	P74 A569 Y649 E659 V661 F673	P74-P669 HydrophobicContact CB-CG 4.07Å; P74-P669 HydrophobicContact CG-CG 4.15Å; A569-P669 HydrophobicContact CB-CB 4.44Å; A569-P669 WeakPolarHBondContact CB-O 3.41Å; Y649-P669 VanDerWaalsContact OH-CB 3.23Å; Y649-P669 WeakPolarHBondContact OH-CB 3.21Å; E659-P669 HydrophobicContact CB-CB 4.43Å; E659-P669 HydrophobicContact CB-CG 4.11Å; E659-P669 HydrophobicContact CG-CB 4.36Å; E659-P669 HydrophobicContact CG-CG 4.46Å; V661-P669 HydrophobicContact CG1-CG 3.71Å; P669-F673 PolarHBondContact O-N 3.46Å; P669-F673 VanDerWaalsContact O-N 3.14Å
670	Q	95.1	Very high	93.9	Very high	52 Å²	52	27.2 Å²	27.2	24%	0.243	16%	0.156	C	C	.	.	H	α-helix	trans	-73.7	-34.3	178	-55.5	83.4	0	0	0	112.3	S668 F673 F674 Y714	S668-Q670 PolarHBondContact O-N 3.43Å; S668-Q670 VanDerWaalsContact O-N 3.12Å; S668-Q670 PolarHBondContact OG-N 2.84Å; S668-Q670 PolarHBondContact OG-OE1 3.34Å; Q670-F673 WeakPolarHBondContact O-CB 3.34Å; Q670-F673 PolarHBondContact O-N 3.08Å; Q670-F674 WeakPolarHBondContact O-CD2 3.3Å; Q670-F674 WeakPolarHBondContact O-CE2 3.37Å; Q670-Y714 HydrophobicContact CB-CD1 3.8Å; Q670-Y714 HydrophobicContact CB-CD2 3.8Å; Q670-Y714 HydrophobicContact CB-CE1 3.74Å; Q670-Y714 HydrophobicContact CB-CE2 3.7Å; Q670-Y714 HydrophobicContact CB-CG 3.85Å; Q670-Y714 HydrophobicContact CG-CD1 4.29Å; Q670-Y714 HydrophobicContact CG-CE1 3.73Å; Q670-Y714 HydrophobicContact CG-CE2 4.08Å
671	Q	96.8	Very high	93.7	Very high	40 Å²	40	25.7 Å²	25.7	19%	0.187	15%	0.145	C	C	.	.	H	α-helix	trans	-71.5	-37.3	173.2	-68.9	170.8	-31.3	0	0	111.7	L667 S668 F673 F674 R675 Y714 F715	L667-Q671 HydrophobicContact CB-CB 3.94Å; L667-Q671 HydrophobicContact CD2-CB 4.08Å; L667-Q671 HydrophobicContact CG-CB 4.4Å; S668-Q671 PolarHBondContact O-N 2.85Å; S668-Q671 PolarHBondContact OG-N 2.67Å; Q671-F673 VanDerWaalsContact C-N 3.29Å; Q671-F673 PolarHBondContact O-N 3.23Å; Q671-F674 PolarHBondContact O-N 3.4Å; Q671-R675 WeakPolarHBondContact O-CB 3.37Å; Q671-R675 PolarHBondContact O-N 3.05Å; Q671-Y714 PolarHBondContact NE2-O 3.08Å; Q671-F715 HydrophobicContact CB-CE1 4.08Å; Q671-F715 HydrophobicContact CB-CE2 4.11Å; Q671-F715 HydrophobicContact CB-CZ 3.57Å; Q671-F715 HydrophobicContact CG-CD1 4.44Å; Q671-F715 HydrophobicContact CG-CD2 4.48Å; Q671-F715 HydrophobicContact CG-CE1 3.95Å; Q671-F715 HydrophobicContact CG-CE2 3.99Å; Q671-F715 HydrophobicContact CG-CZ 3.71Å
672	I	96.9	Very high	93.4	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.005	14%	0.14	C	C	.	.	H	α-helix	trans	-59.5	-38.5	172.7	-69.6	178.3	0	0	0	111.1	A569 V570 V661 L662 L667 S668 R675 S676	A569-I672 HydrophobicContact CB-CB 4.17Å; A569-I672 HydrophobicContact CB-CG2 3.91Å; V570-I672 HydrophobicContact CG2-CG2 3.58Å; V661-I672 HydrophobicContact CB-CD1 3.91Å; V661-I672 HydrophobicContact CG1-CD1 3.92Å; L662-I672 HydrophobicContact CB-CD1 4.35Å; L667-I672 HydrophobicContact CB-CG1 3.74Å; S668-I672 WeakPolarHBondContact O-CG1 3.46Å; S668-I672 PolarHBondContact O-N 2.84Å; I672-R675 PolarHBondContact O-N 3.13Å; I672-S676 WeakPolarHBondContact O-CB 3.5Å; I672-S676 PolarHBondContact O-N 2.88Å; I672-S676 PolarHBondContact O-OG 2.93Å
673	F	98	Very high	92.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-55.6	-53	175.5	169.6	-86.5	0	0	0	112.1	A569 F572 G573 L642 A645 L646 Y649 P669 Q670 Q671 R675 S676 Y677	A569-F673 HydrophobicContact CB-CB 4.41Å; A569-F673 WeakPolarHBondContact O-CA 3.37Å; F572-F673 HydrophobicContact CB-CD2 4.09Å; F572-F673 HydrophobicContact CB-CE2 4.01Å; G573-F673 VanDerWaalsContact CA-CD2 3.46Å; L642-F673 HydrophobicContact CD1-CE1 3.6Å; L642-F673 HydrophobicContact CD1-CZ 3.92Å; A645-F673 HydrophobicContact CB-CE2 4.17Å; A645-F673 HydrophobicContact CB-CZ 4.06Å; L646-F673 VanDerWaalsContact CA-CZ 3.5Å; L646-F673 HydrophobicContact CB-CE1 3.79Å; L646-F673 HydrophobicContact CB-CE2 4.5Å; L646-F673 HydrophobicContact CB-CZ 3.66Å; L646-F673 HydrophobicContact CD1-CD1 3.93Å; L646-F673 HydrophobicContact CD1-CE1 3.78Å; L646-F673 HydrophobicContact CD1-CZ 4.22Å; L646-F673 HydrophobicContact CG-CE1 4.32Å; Y649-F673 HydrophobicContact CD1-CB 4.32Å; Y649-F673 AromaticContact CD1-CD2 3.9Å; Y649-F673 HydrophobicContact CD1-CD2 3.9Å; Y649-F673 HydrophobicContact CD1-CG 4.21Å; Y649-F673 HydrophobicContact CE1-CB 4.22Å; Y649-F673 HydrophobicContact CG-CD2 4.26Å; P669-F673 PolarHBondContact O-N 3.46Å; P669-F673 VanDerWaalsContact O-N 3.14Å; Q670-F673 WeakPolarHBondContact O-CB 3.34Å; Q670-F673 PolarHBondContact O-N 3.08Å; Q671-F673 VanDerWaalsContact C-N 3.29Å; Q671-F673 PolarHBondContact O-N 3.23Å; F673-R675 PolarHBondContact O-N 2.93Å; F673-S676 PolarHBondContact O-N 2.93Å; F673-Y677 PolarHBondContact O-N 3.31Å
674	F	98.2	Very high	91.5	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-68.5	-34.9	178.3	-62.8	-74.3	0	0	0	112.6	F103 L642 L646 Q670 Q671 S676 Y677 A678 L705 T708 A710 F711 Y714 F715	F103-F674 HydrophobicContact CE1-CB 4.34Å; F103-F674 WeakPolarHBondContact CE1-O 3.3Å; F103-F674 HydrophobicContact CZ-CB 4.17Å; L642-F674 HydrophobicContact CD1-CD1 4.26Å; L642-F674 HydrophobicContact CD1-CE1 4.3Å; L642-F674 HydrophobicContact CD2-CE1 4.47Å; L646-F674 HydrophobicContact CD1-CE2 4.47Å; L646-F674 HydrophobicContact CD1-CZ 4Å; L646-F674 HydrophobicContact CD2-CZ 3.96Å; Q670-F674 WeakPolarHBondContact O-CD2 3.3Å; Q670-F674 WeakPolarHBondContact O-CE2 3.37Å; Q671-F674 PolarHBondContact O-N 3.4Å; F674-S676 VanDerWaalsContact C-N 3.31Å; F674-S676 PolarHBondContact O-N 3.3Å; F674-Y677 WeakPolarHBondContact O-CB 3.22Å; F674-Y677 PolarHBondContact O-N 3.26Å; F674-A678 PolarHBondContact O-N 2.73Å; F674-L705 HydrophobicContact CB-CD2 4.25Å; F674-L705 HydrophobicContact CD1-CD2 3.46Å; F674-L705 VanDerWaalsContact CD1-CD2 3.46Å; F674-L705 HydrophobicContact CE1-CD2 4.25Å; F674-L705 HydrophobicContact CG-CD2 4.2Å; F674-T708 HydrophobicContact CE1-CG2 3.92Å; F674-T708 HydrophobicContact CZ-CG2 4.24Å; F674-A710 HydrophobicContact CZ-CB 4.19Å; F674-F711 HydrophobicContact CB-CD2 4.03Å; F674-F711 HydrophobicContact CB-CE2 4.49Å; F674-F711 HydrophobicContact CD1-CB 4.08Å; F674-F711 HydrophobicContact CD1-CD2 4.03Å; F674-F711 HydrophobicContact CD2-CD2 4.28Å; F674-F711 HydrophobicContact CE1-CB 3.87Å; F674-F711 HydrophobicContact CG-CB 4.46Å; F674-F711 AromaticContact CG-CD2 3.83Å; F674-F711 HydrophobicContact CG-CD2 3.83Å; F674-F711 HydrophobicContact CZ-CB 4.13Å; F674-Y714 AromaticContact CE2-CD2 3.67Å; F674-Y714 HydrophobicContact CE2-CD2 3.67Å; F674-Y714 HydrophobicContact CE2-CE2 4.19Å; F674-Y714 HydrophobicContact CZ-CD2 4.45Å; F674-F715 HydrophobicContact CB-CE2 4.04Å; F674-F715 HydrophobicContact CD2-CE2 4.16Å; F674-F715 HydrophobicContact CG-CE2 4.42Å
675	R	96.4	Very high	90.1	Very high	12 Å²	12	31.2 Å²	31.2	5%	0.045	16%	0.159	C	C	.	.	H	α-helix	trans	-60.1	-44	173.4	177.5	56.2	-180	-132.8	7	111.2	Y89 F106 A107 L667 Q671 I672 F673 A678 Q679	Y89-R675 HydrophobicContact CD2-CG 3.97Å; Y89-R675 HydrophobicContact CE2-CG 4.13Å; Y89-R675 PolarHBondContact O-NH2 3.13Å; F106-R675 PolarHBondContact O-NH1 3.48Å; A107-R675 PolarHBondContact O-NH2 3.48Å; L667-R675 HydrophobicContact CD1-CB 4.04Å; L667-R675 HydrophobicContact CD1-CG 4.15Å; Q671-R675 WeakPolarHBondContact O-CB 3.37Å; Q671-R675 PolarHBondContact O-N 3.05Å; I672-R675 PolarHBondContact O-N 3.13Å; F673-R675 PolarHBondContact O-N 2.93Å; R675-A678 PolarHBondContact O-N 3.05Å; R675-Q679 HydrophobicContact CG-CG 4.4Å; R675-Q679 WeakPolarHBondContact O-CB 3.46Å; R675-Q679 WeakPolarHBondContact O-CG 3.44Å; R675-Q679 PolarHBondContact O-N 2.92Å
676	S	96.7	Very high	88.6	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-66.9	-38.8	-180	-52.3	0	0	0	0	111.6	Y89 V570 I672 F673 F674 Q679 V680	Y89-S676 WeakPolarHBondContact OH-CA 3.16Å; Y89-S676 WeakPolarHBondContact OH-CB 3.14Å; Y89-S676 PolarHBondContact OH-OG 2.94Å; Y89-S676 VanDerWaalsContact OH-OG 3.12Å; V570-S676 WeakPolarHBondContact CA-OG 3.4Å; I672-S676 WeakPolarHBondContact O-CB 3.5Å; I672-S676 PolarHBondContact O-N 2.88Å; I672-S676 PolarHBondContact O-OG 2.93Å; F673-S676 PolarHBondContact O-N 2.93Å; F674-S676 VanDerWaalsContact C-N 3.31Å; F674-S676 PolarHBondContact O-N 3.3Å; S676-Q679 WeakPolarHBondContact O-CB 3.36Å; S676-Q679 PolarHBondContact O-N 3.29Å; S676-V680 PolarHBondContact O-N 2.93Å
677	Y	97.2	Very high	86.8	Confident	2 Å²	2	30.1 Å²	30.1	1%	0.008	16%	0.164	C	C	.	.	H	α-helix	trans	-57.1	-53.4	170.9	174.8	-106.3	0	0	0	112.5	G573 S577 L642 F673 F674 Q679 V680 M681 R700 P704 L705	G573-Y677 WeakPolarHBondContact O-CA 3.15Å; G573-Y677 WeakPolarHBondContact O-CB 3.4Å; G573-Y677 PolarHBondContact O-N 2.99Å; S577-Y677 WeakPolarHBondContact OG-CD2 3.38Å; L642-Y677 HydrophobicContact CB-CE2 4.21Å; L642-Y677 HydrophobicContact CD1-CD1 3.98Å; L642-Y677 HydrophobicContact CD1-CD2 3.84Å; L642-Y677 HydrophobicContact CD1-CE1 4.37Å; L642-Y677 HydrophobicContact CD1-CE2 4.23Å; L642-Y677 HydrophobicContact CD1-CG 3.69Å; L642-Y677 HydrophobicContact CD2-CD1 4.2Å; L642-Y677 HydrophobicContact CD2-CE1 4Å; F673-Y677 PolarHBondContact O-N 3.31Å; F674-Y677 WeakPolarHBondContact O-CB 3.22Å; F674-Y677 PolarHBondContact O-N 3.26Å; Y677-Q679 PolarHBondContact O-N 3.17Å; Y677-V680 WeakPolarHBondContact O-CB 3.4Å; Y677-V680 PolarHBondContact O-N 3.36Å; Y677-M681 HydrophobicContact CE2-CE 3.86Å; Y677-M681 PolarHBondContact O-N 2.74Å; Y677-R700 PolarHBondContact OH-O 2.97Å; Y677-P704 HydrophobicContact CE1-CB 4.16Å; Y677-P704 WeakPolarHBondContact OH-CB 3.45Å; Y677-P704 VanDerWaalsContact OH-CG 3.28Å; Y677-P704 WeakPolarHBondContact OH-CG 3.49Å; Y677-L705 HydrophobicContact CD1-CD2 4.4Å
678	A	95.3	Very high	84.7	Confident	0 Å²	0	32 Å²	32	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-64.8	-29.9	179.5	0	0	0	0	0	112.7	F103 A107 F674 R675 M681 C682 V701	F103-A678 HydrophobicContact CD1-CB 3.75Å; F103-A678 HydrophobicContact CE1-CB 3.62Å; A107-A678 HydrophobicContact CB-CB 3.46Å; A107-A678 VanDerWaalsContact CB-CB 3.46Å; F674-A678 PolarHBondContact O-N 2.73Å; R675-A678 PolarHBondContact O-N 3.05Å; A678-M681 CarbonylContact O-C 3.55Å; A678-M681 PolarHBondContact O-N 3.48Å; A678-M681 VanDerWaalsContact O-N 3.13Å; A678-C682 PolarHBondContact O-N 3.34Å; A678-C682 VanDerWaalsContact O-N 3.13Å; A678-C682 PolarHBondContact O-SG 3.41Å; A678-V701 HydrophobicContact CB-CG1 3.86Å; A678-V701 HydrophobicContact CB-CG2 4.02Å
679	Q	91.8	Very high	82.8	Confident	6 Å²	6	35.1 Å²	35.1	3%	0.028	19%	0.186	C	C	.	.	H	α-helix	trans	-66.1	-34.4	175.9	-75.8	-88.2	-32.1	0	0	113.5	H88 Y89 S92 A107 R675 S676 Y677 M681 C682	H88-Q679 PolarHBondContact CD2-OE1 2.83Å; Y89-Q679 HydrophobicContact CD1-CB 4.35Å; Y89-Q679 HydrophobicContact CD1-CG 3.68Å; Y89-Q679 HydrophobicContact CE1-CB 3.71Å; Y89-Q679 HydrophobicContact CE1-CG 3.5Å; Y89-Q679 VanDerWaalsContact CE1-CG 3.5Å; Y89-Q679 HydrophobicContact CE2-CG 4.4Å; Y89-Q679 HydrophobicContact CG-CG 4.23Å; S92-Q679 PolarHBondContact OG-NE2 2.7Å; S92-Q679 PolarHBondContact OG-OE1 2.91Å; A107-Q679 PolarHBondContact O-NE2 3.4Å; R675-Q679 HydrophobicContact CG-CG 4.4Å; R675-Q679 WeakPolarHBondContact O-CB 3.46Å; R675-Q679 WeakPolarHBondContact O-CG 3.44Å; R675-Q679 PolarHBondContact O-N 2.92Å; S676-Q679 WeakPolarHBondContact O-CB 3.36Å; S676-Q679 PolarHBondContact O-N 3.29Å; Y677-Q679 PolarHBondContact O-N 3.17Å; Q679-M681 VanDerWaalsContact C-N 3.29Å; Q679-C682 WeakPolarHBondContact O-CB 3.38Å; Q679-C682 PolarHBondContact O-N 2.92Å
680	V	89.5	Confident	80.9	Confident	5 Å²	5	38 Å²	38	3%	0.03	21%	0.207	C	C	.	.	H	α-helix	trans	-61.6	-41.4	169.2	172.1	0	0	0	0	110.7	F118 F561 A574 I578 S676 Y677 C682	F118-V680 HydrophobicContact CE2-CG1 3.88Å; F118-V680 WeakPolarHBondContact CE2-O 3.41Å; F118-V680 HydrophobicContact CZ-CG1 4.06Å; F561-V680 HydrophobicContact CD1-CB 4.35Å; F561-V680 HydrophobicContact CD1-CG1 4.06Å; F561-V680 HydrophobicContact CD1-CG2 3.79Å; F561-V680 HydrophobicContact CE1-CB 4.3Å; F561-V680 HydrophobicContact CE1-CG1 3.94Å; F561-V680 HydrophobicContact CE1-CG2 4.21Å; A574-V680 HydrophobicContact CB-CG2 3.45Å; A574-V680 VanDerWaalsContact CB-CG2 3.45Å; I578-V680 HydrophobicContact CD1-CG1 3.79Å; I578-V680 HydrophobicContact CG1-CG1 4.02Å; S676-V680 PolarHBondContact O-N 2.93Å; Y677-V680 WeakPolarHBondContact O-CB 3.4Å; Y677-V680 PolarHBondContact O-N 3.36Å; V680-C682 VanDerWaalsContact C-N 3.26Å; V680-C682 PolarHBondContact O-N 2.64Å
681	M	88.5	Confident	79.2	Confident	17 Å²	17	42.3 Å²	42.3	8%	0.084	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	0.4	-179.2	-56.7	-55.4	-172.8	0	0	113.9	Y677 A678 Q679 R683 P697 R700 V701	Y677-M681 HydrophobicContact CE2-CE 3.86Å; Y677-M681 PolarHBondContact O-N 2.74Å; A678-M681 CarbonylContact O-C 3.55Å; A678-M681 PolarHBondContact O-N 3.48Å; A678-M681 VanDerWaalsContact O-N 3.13Å; Q679-M681 VanDerWaalsContact C-N 3.29Å; M681-R683 PolarHBondContact O-N 3.41Å; M681-P697 WeakPolarHBondContact O-CB 3.3Å; M681-R700 HydrophobicContact CE-CB 4.45Å; M681-R700 HydrophobicContact CG-CB 4.33Å; M681-R700 HydrophobicContact SD-CB 4.13Å; M681-V701 HydrophobicContact CB-CG2 3.42Å; M681-V701 VanDerWaalsContact CB-CG2 3.42Å; M681-V701 HydrophobicContact CG-CG2 3.98Å
682	C	86.9	Confident	77.9	Confident	4 Å²	4	43.9 Å²	43.9	3%	0.027	24%	0.236	C	C	.	.			trans	-67.3	93.2	174.8	-65.9	0	0	0	0	111	C108 A678 Q679 V680	C108-C682 VanDerWaalsContact CA-SG 3.6Å; C108-C682 HydrophobicContact CB-CB 3.85Å; C108-C682 WeakPolarHBondContact CB-SG 3.44Å; C108-C682 WeakPolarHBondContact SG-CA 3.18Å; C108-C682 WeakPolarHBondContact SG-CB 3.36Å; C108-C682 CovalentContact SG-SG 2.03Å; C108-C682 PolarHBondContact SG-SG 2.91Å; A678-C682 PolarHBondContact O-N 3.34Å; A678-C682 VanDerWaalsContact O-N 3.13Å; A678-C682 PolarHBondContact O-SG 3.41Å; Q679-C682 WeakPolarHBondContact O-CB 3.38Å; Q679-C682 PolarHBondContact O-N 2.92Å; V680-C682 VanDerWaalsContact C-N 3.26Å; V680-C682 PolarHBondContact O-N 2.64Å
683	R	79	Confident	77.3	Confident	82 Å²	82	46.5 Å²	46.5	31%	0.309	25%	0.252	S	S	.	.			trans	-137	150.7	171	-53.8	-173.6	-179.9	172.8	-1.1	109.1	F118 M681 P697	F118-R683 VanDerWaalsContact CD2-NE 3.25Å; M681-R683 PolarHBondContact O-N 3.41Å; R683-P697 HydrophobicContact CB-CB 4.26Å; R683-P697 HydrophobicContact CB-CG 3.84Å; R683-P697 WeakPolarHBondContact O-CB 3.45Å; R683-P697 WeakPolarHBondContact O-CG 3.29Å
684	K	67	Low	76.8	Confident	101 Å²	101	49.1 Å²	49.1	44%	0.439	26%	0.264	S	S	.	.			trans	-67.3	149.5	162.6	-91.2	-166.5	167.8	178.7	0	110.5	E113 S686	E113-K684 VanDerWaalsContact O-CD 3.32Å; E113-K684 WeakPolarHBondContact O-CD 3.45Å; E113-K684 VanDerWaalsContact O-CE 3.25Å; E113-K684 WeakPolarHBondContact O-CE 3.23Å; E113-K684 PolarHBondContact O-NZ 3.37Å; E113-K684 IonicContact OE1-NZ 3.27Å; E113-K684 PolarHBondContact OE1-NZ 2.91Å; E113-K684 IonicContact OE2-NZ 3.37Å; K684-S686 PolarHBondContact O-N 3.03Å; K684-S686 VanDerWaalsContact O-N 3.14Å
685	P	59.6	Low	76.4	Confident	64 Å²	64	49.3 Å²	49.3	42%	0.416	27%	0.265	S	S	.	.			trans	-58.7	115.5	158	-14.3	28.7	0	0	0	108.1
686	S	56.3	Low	75.9	Confident	87 Å²	87	49.1 Å²	49.1	61%	0.608	27%	0.266	S	S	*	.	P	Polyproline II helix	trans	-64.8	149.6	156.4	-176.1	0	0	0	0	107.3	K684 Q688	K684-S686 PolarHBondContact O-N 3.03Å; K684-S686 VanDerWaalsContact O-N 3.14Å; S686-Q688 PolarHBondContact O-N 2.93Å
687	P	52.3	Low	75.5	Confident	78 Å²	78	50 Å²	50	51%	0.506	27%	0.272	S	S	.	.	S	Bend	trans	-49	121.9	153.6	23.2	-31.9	0	0	0	106.8	P399 D689	P399-P687 HydrophobicContact CB-CG 4.2Å; P399-P687 HydrophobicContact CG-CG 3.6Å; P687-D689 PolarHBondContact O-N 2.91Å
688	Q	49.7	Very low	75.1	Confident	70 Å²	70	50.7 Å²	50.7	33%	0.327	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-59	125	-169.9	-95.5	166.2	-33.4	0	0	109	S625 S686 S690	S625-Q688 PolarHBondContact O-NE2 3Å; S625-Q688 PolarHBondContact O-OE1 2.86Å; S625-Q688 PolarHBondContact OG-OE1 3.4Å; S686-Q688 PolarHBondContact O-N 2.93Å; Q688-S690 PolarHBondContact O-N 3.23Å
689	D	52.8	Low	75	Confident	103 Å²	103	50.8 Å²	50.8	55%	0.551	28%	0.275	S	S	*	.	P	Polyproline II helix	trans	-60.7	128.9	152.7	-167.1	-33.8	0	0	0	106	P687 H691 D692	P687-D689 PolarHBondContact O-N 2.91Å; D689-H691 PolarHBondContact O-N 3.21Å; D689-H691 IonicContact OD1-CD2 3.19Å; D689-H691 PolarHBondContact OD1-CD2 3.5Å; D689-H691 VanDerWaalsContact OD1-CD2 3.23Å; D689-H691 IonicContact OD1-CG 3.42Å; D689-H691 PolarHBondContact OD1-N 3.43Å; D689-H691 VanDerWaalsContact OD1-N 3.11Å; D689-D692 PolarHBondContact O-N 2.81Å
690	S	54.3	Low	75.1	Confident	75 Å²	75	51.7 Å²	51.7	52%	0.524	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-9.1	179.4	45.1	0	0	0	0	113.2	Q688	Q688-S690 PolarHBondContact O-N 3.23Å
691	H	60.5	Low	75.3	Confident	142 Å²	142	51.4 Å²	51.4	66%	0.657	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.6	2	180	-51.4	-62.2	0	0	0	114.3	D689 T693	D689-H691 PolarHBondContact O-N 3.21Å; D689-H691 IonicContact OD1-CD2 3.19Å; D689-H691 PolarHBondContact OD1-CD2 3.5Å; D689-H691 VanDerWaalsContact OD1-CD2 3.23Å; D689-H691 IonicContact OD1-CG 3.42Å; D689-H691 PolarHBondContact OD1-N 3.43Å; D689-H691 VanDerWaalsContact OD1-N 3.11Å; H691-T693 PolarHBondContact O-N 3.48Å
692	D	70.2	Confident	75.6	Confident	72 Å²	72	51.3 Å²	51.3	39%	0.385	28%	0.276	S	S	.	.			trans	-70.1	117.2	173.1	-168.6	-0.2	0	0	0	110.3	D689 H694	D689-D692 PolarHBondContact O-N 2.81Å; D692-H694 VanDerWaalsContact C-N 3.26Å; D692-H694 PolarHBondContact O-N 3.38Å; D692-H694 WeakPolarHBondContact OD1-CB 3.34Å; D692-H694 IonicContact OD1-CE1 2.74Å; D692-H694 IonicContact OD1-CG 2.82Å; D692-H694 PolarHBondContact OD1-N 2.86Å; D692-H694 IonicContact OD1-ND1 3.28Å; D692-H694 PolarHBondContact OD1-ND1 2.94Å
693	T	83.9	Confident	75.9	Confident	56 Å²	56	51.1 Å²	51.1	34%	0.344	28%	0.275	S	S	.	.			trans	-78.7	-7.9	178.3	51.8	0	0	0	0	113	L630 T631 E634 H691	L630-T693 HydrophobicContact CD1-CG2 4.06Å; T631-T693 VanDerWaalsContact CA-O 3.26Å; T631-T693 WeakPolarHBondContact CA-O 3.21Å; T631-T693 WeakPolarHBondContact CG2-O 3.3Å; E634-T693 WeakPolarHBondContact CG-O 3.42Å; H691-T693 PolarHBondContact O-N 3.48Å
694	H	87.8	Confident	76.7	Confident	55 Å²	55	47.2 Å²	47.2	26%	0.255	26%	0.26	S	S	.	.	S	Bend	trans	-88.2	147.1	-178.9	-55.1	93.6	0	0	0	112.8	E634 D692 R700	E634-H694 IonicContact OE2-CD2 2.76Å; E634-H694 IonicContact OE2-NE2 3.89Å; D692-H694 VanDerWaalsContact C-N 3.26Å; D692-H694 PolarHBondContact O-N 3.38Å; D692-H694 WeakPolarHBondContact OD1-CB 3.34Å; D692-H694 IonicContact OD1-CE1 2.74Å; D692-H694 IonicContact OD1-CG 2.82Å; D692-H694 PolarHBondContact OD1-N 2.86Å; D692-H694 IonicContact OD1-ND1 3.28Å; D692-H694 PolarHBondContact OD1-ND1 2.94Å; H694-R700 PolarHBondContact CD2-NH1 2.94Å
695	S	88.9	Confident	78.1	Confident	4 Å²	4	42.4 Å²	42.4	3%	0.028	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-59	151.4	164.7	-90.7	0	0	0	0	112.5	F626 N635 R700	F626-S695 WeakPolarHBondContact CE2-OG 3.02Å; N635-S695 PolarHBondContact ND2-OG 3.36Å; N635-S695 VanDerWaalsContact OD1-CB 3.27Å; N635-S695 WeakPolarHBondContact OD1-CB 3.29Å; N635-S695 PolarHBondContact OD1-OG 2.89Å; S695-R700 WeakPolarHBondContact O-CD 3.29Å; S695-R700 WeakPolarHBondContact O-CG 3.41Å
696	P	86.6	Confident	79.7	Confident	8 Å²	8	39.4 Å²	39.4	5%	0.052	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-49.4	145.8	165.7	-28.7	35.4	0	0	0	112.7	T624 H698 L699 R700	T624-P696 HydrophobicContact CG2-CB 4.19Å; T624-P696 HydrophobicContact CG2-CG 3.71Å; P696-H698 VanDerWaalsContact C-N 3.29Å; P696-H698 PolarHBondContact O-N 3.32Å; P696-H698 VanDerWaalsContact O-N 3.07Å; P696-L699 PolarHBondContact O-N 3.19Å; P696-R700 PolarHBondContact O-N 3.43Å; P696-R700 VanDerWaalsContact O-N 3.12Å
697	P	87.7	Confident	81.5	Confident	19 Å²	19	35.8 Å²	35.8	12%	0.123	20%	0.195	C	C	.	.	H	α-helix	trans	-53.9	-36	-170.4	-30.9	36.4	0	0	0	116	F104 M681 R683 R700 V701	F104-P697 HydrophobicContact CE2-CB 4.02Å; F104-P697 HydrophobicContact CZ-CB 4.37Å; M681-P697 WeakPolarHBondContact O-CB 3.3Å; R683-P697 HydrophobicContact CB-CB 4.26Å; R683-P697 HydrophobicContact CB-CG 3.84Å; R683-P697 WeakPolarHBondContact O-CB 3.45Å; R683-P697 WeakPolarHBondContact O-CG 3.29Å; P697-R700 PolarHBondContact O-N 2.9Å; P697-V701 PolarHBondContact O-N 2.91Å
698	H	89.2	Confident	83.5	Confident	17 Å²	17	32.5 Å²	32.5	8%	0.079	17%	0.173	C	C	.	.	H	α-helix	trans	-68.1	-40.1	177.2	67.7	-80.5	0	0	0	112.4	F104 P621 P696 V701 H702	F104-H698 HydrophobicContact CB-CB 4.18Å; F104-H698 HydrophobicContact CD1-CB 3.98Å; F104-H698 HydrophobicContact CD2-CB 4.06Å; F104-H698 HydrophobicContact CE1-CB 4.41Å; F104-H698 HydrophobicContact CE2-CB 4.47Å; F104-H698 HydrophobicContact CG-CB 3.8Å; P621-H698 WeakPolarHBondContact CD-CE1 3.25Å; P696-H698 VanDerWaalsContact C-N 3.29Å; P696-H698 PolarHBondContact O-N 3.32Å; P696-H698 VanDerWaalsContact O-N 3.07Å; H698-V701 WeakPolarHBondContact O-CB 3.5Å; H698-V701 PolarHBondContact O-N 2.98Å; H698-H702 PolarHBondContact O-N 2.98Å; H698-H702 PolarHBondContact O-ND1 3.25Å
699	L	92.1	Very high	85.6	Confident	1 Å²	1	31.9 Å²	31.9	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-67.3	-36.1	174.8	-64.4	-168.6	0	0	0	112.1	Y615 F618 L620 F626 P696 V701 H702 G703	Y615-L699 HydrophobicContact CD1-CB 3.98Å; Y615-L699 HydrophobicContact CD1-CD1 4.31Å; Y615-L699 HydrophobicContact CE1-CB 4.2Å; F618-L699 HydrophobicContact CB-CD2 3.48Å; F618-L699 VanDerWaalsContact CB-CD2 3.48Å; F618-L699 HydrophobicContact CD2-CD2 4.25Å; F618-L699 HydrophobicContact CG-CD2 4.15Å; L620-L699 HydrophobicContact CD2-CD1 3.99Å; L620-L699 HydrophobicContact CD2-CG 4.4Å; F626-L699 HydrophobicContact CD2-CD1 3.73Å; F626-L699 HydrophobicContact CE2-CD1 3.99Å; F626-L699 HydrophobicContact CG-CD1 4.09Å; P696-L699 PolarHBondContact O-N 3.19Å; L699-V701 PolarHBondContact O-N 3.12Å; L699-H702 PolarHBondContact O-N 3.06Å; L699-G703 PolarHBondContact O-N 3.07Å
700	R	93.7	Very high	87.6	Confident	25 Å²	25	27.5 Å²	27.5	9%	0.094	15%	0.153	C	C	.	.	H	α-helix	trans	-61.4	-21.2	170.7	-62.7	-167.8	73.4	166.3	3.4	113	H581 D638 Y677 M681 H694 S695 P696 P697 P704	H581-R700 PolarHBondContact CE1-NH2 2.96Å; H581-R700 VanDerWaalsContact CE1-NH2 3.32Å; D638-R700 IonicContact OD1-CZ 2.78Å; D638-R700 IonicContact OD1-NE 2.67Å; D638-R700 IonicContact OD1-NH2 2.67Å; D638-R700 PolarHBondContact OD1-NH2 3.48Å; D638-R700 WeakPolarHBondContact OD2-CG 3.25Å; D638-R700 IonicContact OD2-CZ 3.05Å; D638-R700 IonicContact OD2-NE 3.9Å; D638-R700 PolarHBondContact OD2-NE 3.3Å; D638-R700 IonicContact OD2-NH2 3.99Å; D638-R700 PolarHBondContact OD2-NH2 3.41Å; Y677-R700 PolarHBondContact OH-O 2.97Å; M681-R700 HydrophobicContact CE-CB 4.45Å; M681-R700 HydrophobicContact CG-CB 4.33Å; M681-R700 HydrophobicContact SD-CB 4.13Å; H694-R700 PolarHBondContact CD2-NH1 2.94Å; S695-R700 WeakPolarHBondContact O-CD 3.29Å; S695-R700 WeakPolarHBondContact O-CG 3.41Å; P696-R700 PolarHBondContact O-N 3.43Å; P696-R700 VanDerWaalsContact O-N 3.12Å; P697-R700 PolarHBondContact O-N 2.9Å; R700-P704 WeakPolarHBondContact O-CD 3.43Å; R700-P704 WeakPolarHBondContact O-CG 3.33Å
701	V	94.9	Very high	89.7	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-89.1	-53.7	170.2	173.7	0	0	0	0	111.3	F103 F104 A678 M681 P697 H698 L699 L705	F103-V701 HydrophobicContact CB-CG1 4.41Å; F103-V701 HydrophobicContact CD1-CG1 4.04Å; F104-V701 HydrophobicContact CB-CB 4.35Å; F104-V701 HydrophobicContact CB-CG1 4.29Å; F104-V701 HydrophobicContact CD2-CB 4.23Å; F104-V701 HydrophobicContact CD2-CG2 3.86Å; A678-V701 HydrophobicContact CB-CG1 3.86Å; A678-V701 HydrophobicContact CB-CG2 4.02Å; M681-V701 HydrophobicContact CB-CG2 3.42Å; M681-V701 VanDerWaalsContact CB-CG2 3.42Å; M681-V701 HydrophobicContact CG-CG2 3.98Å; P697-V701 PolarHBondContact O-N 2.91Å; H698-V701 WeakPolarHBondContact O-CB 3.5Å; H698-V701 PolarHBondContact O-N 2.98Å; L699-V701 PolarHBondContact O-N 3.12Å; V701-L705 HydrophobicContact CG1-CD1 3.56Å; V701-L705 WeakPolarHBondContact O-CB 3.34Å; V701-L705 WeakPolarHBondContact O-CD1 3.4Å; V701-L705 WeakPolarHBondContact O-CG 3.38Å; V701-L705 PolarHBondContact O-N 2.96Å
702	H	94.6	Very high	91.4	Very high	14 Å²	14	17.4 Å²	17.4	7%	0.065	10%	0.099	C	C	.	.	H	α-helix	trans	-72.2	-38.5	-169.4	-60.5	148.1	0	0	0	114.3	D102 F104 F618 H698 L699 L705 S706 L723	D102-H702 IonicContact OD1-CD2 2.75Å; D102-H702 IonicContact OD1-CE1 2.75Å; D102-H702 PolarHBondContact OD1-CE1 2.9Å; D102-H702 VanDerWaalsContact OD1-CE1 3.32Å; D102-H702 IonicContact OD1-NE2 2.68Å; D102-H702 PolarHBondContact OD1-NE2 2.67Å; F104-H702 PolarHBondContact N-NE2 2.9Å; F618-H702 HydrophobicContact CD1-CB 3.71Å; F618-H702 AromaticContact CD1-CG 3.96Å; F618-H702 AromaticContact CD1-ND1 3.82Å; F618-H702 HydrophobicContact CD2-CB 4.05Å; F618-H702 HydrophobicContact CE1-CB 3.53Å; F618-H702 HydrophobicContact CE2-CB 3.88Å; F618-H702 HydrophobicContact CG-CB 3.99Å; F618-H702 HydrophobicContact CZ-CB 3.64Å; H698-H702 PolarHBondContact O-N 2.98Å; H698-H702 PolarHBondContact O-ND1 3.25Å; L699-H702 PolarHBondContact O-N 3.06Å; H702-L705 PolarHBondContact O-N 2.9Å; H702-S706 WeakPolarHBondContact O-CB 3.15Å; H702-S706 PolarHBondContact O-N 2.93Å; H702-S706 PolarHBondContact O-OG 3.26Å; H702-L723 HydrophobicContact CB-CD2 3.92Å
703	G	93.7	Very high	92.7	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-62.2	-50.7	179.9	0	0	0	0	0	113.5	L699 S706 S707	L699-G703 PolarHBondContact O-N 3.07Å; G703-S706 PolarHBondContact O-OG 3.32Å; G703-S707 WeakPolarHBondContact O-CB 3.41Å; G703-S707 PolarHBondContact O-N 2.89Å; G703-S707 PolarHBondContact O-OG 2.03Å
704	P	95.3	Very high	93.3	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-64.4	-38.2	175.5	-28.6	41.1	0	0	0	113.5	Y615 D638 V639 L642 Y677 R700 S707 T708	Y615-P704 WeakPolarHBondContact OH-CD 3.48Å; D638-P704 HydrophobicContact CB-CG 3.68Å; V639-P704 HydrophobicContact CG2-CB 4.33Å; V639-P704 HydrophobicContact CG2-CG 4.09Å; L642-P704 HydrophobicContact CB-CB 4.33Å; L642-P704 HydrophobicContact CD2-CB 3.74Å; Y677-P704 HydrophobicContact CE1-CB 4.16Å; Y677-P704 WeakPolarHBondContact OH-CB 3.45Å; Y677-P704 VanDerWaalsContact OH-CG 3.28Å; Y677-P704 WeakPolarHBondContact OH-CG 3.49Å; R700-P704 WeakPolarHBondContact O-CD 3.43Å; R700-P704 WeakPolarHBondContact O-CG 3.33Å; P704-S707 PolarHBondContact O-N 3.3Å; P704-T708 WeakPolarHBondContact O-CB 3.32Å; P704-T708 PolarHBondContact O-N 3.48Å; P704-T708 PolarHBondContact O-OG1 3.32Å
705	L	95.8	Very high	93.7	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-70.4	-43.5	178.9	-66.4	175.6	0	0	0	112.7	F103 L642 F674 Y677 V701 H702 S707 T708 F711 L723	F103-L705 HydrophobicContact CB-CD1 3.81Å; F103-L705 HydrophobicContact CD1-CD1 3.3Å; F103-L705 HydrophobicContact CE1-CD1 4.05Å; F103-L705 HydrophobicContact CG-CD1 3.7Å; L642-L705 HydrophobicContact CD2-CD2 3.86Å; L642-L705 HydrophobicContact CD2-CG 4.5Å; F674-L705 HydrophobicContact CB-CD2 4.25Å; F674-L705 HydrophobicContact CD1-CD2 3.46Å; F674-L705 VanDerWaalsContact CD1-CD2 3.46Å; F674-L705 HydrophobicContact CE1-CD2 4.25Å; F674-L705 HydrophobicContact CG-CD2 4.2Å; Y677-L705 HydrophobicContact CD1-CD2 4.4Å; V701-L705 HydrophobicContact CG1-CD1 3.56Å; V701-L705 WeakPolarHBondContact O-CB 3.34Å; V701-L705 WeakPolarHBondContact O-CD1 3.4Å; V701-L705 WeakPolarHBondContact O-CG 3.38Å; V701-L705 PolarHBondContact O-N 2.96Å; H702-L705 PolarHBondContact O-N 2.9Å; L705-S707 PolarHBondContact O-N 3.48Å; L705-T708 PolarHBondContact O-N 2.94Å; L705-F711 HydrophobicContact CB-CD1 3.99Å; L705-F711 HydrophobicContact CB-CD2 4.45Å; L705-F711 HydrophobicContact CB-CE1 4.32Å; L705-F711 HydrophobicContact CB-CG 4.07Å; L705-F711 HydrophobicContact CD1-CD2 4.35Å; L705-F711 HydrophobicContact CD1-CE2 4.09Å; L705-F711 HydrophobicContact CD1-CZ 4.31Å; L705-F711 HydrophobicContact CD2-CB 4.17Å; L705-F711 HydrophobicContact CD2-CD2 3.62Å; L705-F711 HydrophobicContact CD2-CE2 4.16Å; L705-F711 HydrophobicContact CD2-CG 3.85Å; L705-F711 HydrophobicContact CG-CD2 4.36Å; L705-F711 HydrophobicContact CG-CG 4.43Å; L705-L723 HydrophobicContact CB-CD2 4.4Å
706	S	94.3	Very high	94.1	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.014	14%	0.141	C	C	.	.	H	α-helix	trans	-61.6	-31.3	174.7	63.8	0	0	0	0	112.7	H702 G703 T708 L722 P725	H702-S706 WeakPolarHBondContact O-CB 3.15Å; H702-S706 PolarHBondContact O-N 2.93Å; H702-S706 PolarHBondContact O-OG 3.26Å; G703-S706 PolarHBondContact O-OG 3.32Å; S706-T708 VanDerWaalsContact C-N 3.33Å; S706-L722 VanDerWaalsContact CB-O 3.22Å; S706-L722 WeakPolarHBondContact CB-O 3.48Å; S706-P725 WeakPolarHBondContact O-CD 3.45Å
707	S	92.7	Very high	94.6	Very high	11 Å²	11	32.2 Å²	32.2	8%	0.077	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-10.2	175.6	-54.4	0	0	0	0	113.6	G703 P704 L705 P709	G703-S707 WeakPolarHBondContact O-CB 3.41Å; G703-S707 PolarHBondContact O-N 2.89Å; G703-S707 PolarHBondContact O-OG 2.03Å; P704-S707 PolarHBondContact O-N 3.3Å; L705-S707 PolarHBondContact O-N 3.48Å; S707-P709 WeakPolarHBondContact O-CD 3.38Å
708	T	94	Very high	95	Very high	9 Å²	9	34.8 Å²	34.8	6%	0.055	17%	0.165	C	C	.	.			trans	-105.6	102.9	-173.9	-62	0	0	0	0	112.5	L646 F674 P704 L705 S706 A710 F711	L646-T708 HydrophobicContact CD2-CG2 3.94Å; F674-T708 HydrophobicContact CE1-CG2 3.92Å; F674-T708 HydrophobicContact CZ-CG2 4.24Å; P704-T708 WeakPolarHBondContact O-CB 3.32Å; P704-T708 PolarHBondContact O-N 3.48Å; P704-T708 PolarHBondContact O-OG1 3.32Å; L705-T708 PolarHBondContact O-N 2.94Å; S706-T708 VanDerWaalsContact C-N 3.33Å; T708-A710 HydrophobicContact CG2-CB 4.27Å; T708-A710 PolarHBondContact O-N 3.46Å; T708-F711 WeakPolarHBondContact O-CB 3.37Å; T708-F711 PolarHBondContact O-N 3.35Å; T708-F711 VanDerWaalsContact O-N 3.08Å
709	P	93.9	Very high	95.2	Very high	56 Å²	56	43.7 Å²	43.7	36%	0.364	20%	0.197	S	C	.	.	H	α-helix	trans	-54	-30.8	-176.9	-26	31.4	0	0	0	115.6	S707 R713	S707-P709 WeakPolarHBondContact O-CD 3.38Å; P709-R713 PolarHBondContact O-N 2.95Å
710	A	95.7	Very high	95.1	Very high	11 Å²	11	46.1 Å²	46.1	9%	0.091	22%	0.223	C	C	.	.	H	α-helix	trans	-72	-35.8	-177.1	0	0	0	0	0	112.2	L646 F674 T708 R713 Y714	L646-A710 HydrophobicContact CD2-CB 3.58Å; F674-A710 HydrophobicContact CZ-CB 4.19Å; T708-A710 HydrophobicContact CG2-CB 4.27Å; T708-A710 PolarHBondContact O-N 3.46Å; A710-R713 WeakPolarHBondContact O-CB 3.37Å; A710-R713 PolarHBondContact O-N 3.42Å; A710-Y714 HydrophobicContact CB-CD2 4.24Å; A710-Y714 HydrophobicContact CB-CE2 3.88Å; A710-Y714 WeakPolarHBondContact O-CD2 3.15Å; A710-Y714 PolarHBondContact O-N 3.41Å
711	F	97.2	Very high	95.1	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-56	-56.7	176.8	168.3	-100.6	0	0	0	110.6	F103 F674 L705 T708 R713 Y714 F715 L723	F103-F711 HydrophobicContact CB-CZ 4.13Å; F103-F711 HydrophobicContact CD1-CE2 4.29Å; F103-F711 AromaticContact CD2-CE2 3.48Å; F103-F711 HydrophobicContact CD2-CE2 3.48Å; F103-F711 VanDerWaalsContact CD2-CE2 3.48Å; F103-F711 AromaticContact CD2-CZ 3.54Å; F103-F711 HydrophobicContact CD2-CZ 3.54Å; F103-F711 HydrophobicContact CE1-CE2 4.35Å; F103-F711 AromaticContact CE2-CE2 3.58Å; F103-F711 HydrophobicContact CE2-CE2 3.58Å; F103-F711 HydrophobicContact CE2-CZ 4.09Å; F103-F711 AromaticContact CG-CE2 3.85Å; F103-F711 HydrophobicContact CG-CE2 3.85Å; F103-F711 AromaticContact CG-CZ 3.86Å; F103-F711 HydrophobicContact CG-CZ 3.86Å; F103-F711 HydrophobicContact CZ-CE2 4.02Å; F674-F711 HydrophobicContact CB-CD2 4.03Å; F674-F711 HydrophobicContact CB-CE2 4.49Å; F674-F711 HydrophobicContact CD1-CB 4.08Å; F674-F711 HydrophobicContact CD1-CD2 4.03Å; F674-F711 HydrophobicContact CD2-CD2 4.28Å; F674-F711 HydrophobicContact CE1-CB 3.87Å; F674-F711 HydrophobicContact CG-CB 4.46Å; F674-F711 AromaticContact CG-CD2 3.83Å; F674-F711 HydrophobicContact CG-CD2 3.83Å; F674-F711 HydrophobicContact CZ-CB 4.13Å; L705-F711 HydrophobicContact CB-CD1 3.99Å; L705-F711 HydrophobicContact CB-CD2 4.45Å; L705-F711 HydrophobicContact CB-CE1 4.32Å; L705-F711 HydrophobicContact CB-CG 4.07Å; L705-F711 HydrophobicContact CD1-CD2 4.35Å; L705-F711 HydrophobicContact CD1-CE2 4.09Å; L705-F711 HydrophobicContact CD1-CZ 4.31Å; L705-F711 HydrophobicContact CD2-CB 4.17Å; L705-F711 HydrophobicContact CD2-CD2 3.62Å; L705-F711 HydrophobicContact CD2-CE2 4.16Å; L705-F711 HydrophobicContact CD2-CG 3.85Å; L705-F711 HydrophobicContact CG-CD2 4.36Å; L705-F711 HydrophobicContact CG-CG 4.43Å; T708-F711 WeakPolarHBondContact O-CB 3.37Å; T708-F711 PolarHBondContact O-N 3.35Å; T708-F711 VanDerWaalsContact O-N 3.08Å; F711-R713 PolarHBondContact O-N 2.83Å; F711-R713 VanDerWaalsContact O-N 3.15Å; F711-Y714 PolarHBondContact O-N 2.82Å; F711-Y714 VanDerWaalsContact O-N 3.13Å; F711-F715 AromaticContact CD2-CD2 3.48Å; F711-F715 HydrophobicContact CD2-CD2 3.48Å; F711-F715 VanDerWaalsContact CD2-CD2 3.48Å; F711-F715 AromaticContact CD2-CE2 3.8Å; F711-F715 HydrophobicContact CD2-CE2 3.8Å; F711-F715 HydrophobicContact CE2-CB 4.49Å; F711-F715 AromaticContact CE2-CD2 3.26Å; F711-F715 HydrophobicContact CE2-CD2 3.26Å; F711-F715 AromaticContact CE2-CE2 3.6Å; F711-F715 HydrophobicContact CE2-CE2 3.6Å; F711-F715 AromaticContact CE2-CG 3.98Å; F711-F715 HydrophobicContact CE2-CG 3.98Å; F711-F715 HydrophobicContact CG-CD2 4.4Å; F711-F715 HydrophobicContact CZ-CB 4.43Å; F711-F715 HydrophobicContact CZ-CD2 4.01Å; F711-F715 HydrophobicContact CZ-CG 4.31Å; F711-F715 PolarHBondContact O-N 3.01Å; F711-L723 HydrophobicContact CE1-CB 3.89Å; F711-L723 HydrophobicContact CE1-CD1 4.19Å; F711-L723 HydrophobicContact CZ-CD1 4.39Å
712	A	96.6	Very high	94.9	Very high	5 Å²	5	50.7 Å²	50.7	4%	0.041	25%	0.253	C	S	.	.	H	α-helix	trans	-57.8	-31.7	179.4	0	0	0	0	0	112.9	R716 C717 N724	A712-R716 CarbonylContact O-C 3.59Å; A712-R716 VanDerWaalsContact O-CA 3.28Å; A712-R716 WeakPolarHBondContact O-CA 3.04Å; A712-R716 PolarHBondContact O-N 2.88Å; A712-C717 HydrophobicContact CB-CB 4.11Å; A712-C717 PolarHBondContact O-N 3.18Å; A712-N724 HydrophobicContact CB-CB 3.63Å; A712-N724 WeakPolarHBondContact CB-OD1 3.43Å
713	R	96.9	Very high	94.9	Very high	172 Å²	172	50 Å²	50	65%	0.649	25%	0.251	S	S	*	.	H	α-helix	trans	-70.3	-48.2	176	-164.7	-168.7	-50	172.4	5.1	112.2	P709 A710 F711 R716	P709-R713 PolarHBondContact O-N 2.95Å; A710-R713 WeakPolarHBondContact O-CB 3.37Å; A710-R713 PolarHBondContact O-N 3.42Å; F711-R713 PolarHBondContact O-N 2.83Å; F711-R713 VanDerWaalsContact O-N 3.15Å; R713-R716 PolarHBondContact O-N 2.9Å
714	Y	96.8	Very high	95	Very high	72 Å²	72	50.9 Å²	50.9	28%	0.282	26%	0.255	S	S	.	.	H	α-helix	trans	-73.7	-26.2	-177.3	-64.1	-58.7	0	0	0	113.4	Q670 Q671 F674 A710 F711	Q670-Y714 HydrophobicContact CB-CD1 3.8Å; Q670-Y714 HydrophobicContact CB-CD2 3.8Å; Q670-Y714 HydrophobicContact CB-CE1 3.74Å; Q670-Y714 HydrophobicContact CB-CE2 3.7Å; Q670-Y714 HydrophobicContact CB-CG 3.85Å; Q670-Y714 HydrophobicContact CG-CD1 4.29Å; Q670-Y714 HydrophobicContact CG-CE1 3.73Å; Q670-Y714 HydrophobicContact CG-CE2 4.08Å; Q671-Y714 PolarHBondContact NE2-O 3.08Å; F674-Y714 AromaticContact CE2-CD2 3.67Å; F674-Y714 HydrophobicContact CE2-CD2 3.67Å; F674-Y714 HydrophobicContact CE2-CE2 4.19Å; F674-Y714 HydrophobicContact CZ-CD2 4.45Å; A710-Y714 HydrophobicContact CB-CD2 4.24Å; A710-Y714 HydrophobicContact CB-CE2 3.88Å; A710-Y714 WeakPolarHBondContact O-CD2 3.15Å; A710-Y714 PolarHBondContact O-N 3.41Å; F711-Y714 PolarHBondContact O-N 2.82Å; F711-Y714 VanDerWaalsContact O-N 3.13Å
715	F	97.1	Very high	94.9	Very high	22 Å²	22	51.9 Å²	51.9	10%	0.096	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	0.5	172.9	-70.8	-82.5	0	0	0	114.1	P99 C100 F103 F106 L667 Q671 F674 F711 C717	P99-F715 HydrophobicContact CB-CD1 3.66Å; P99-F715 HydrophobicContact CB-CE1 4.09Å; P99-F715 HydrophobicContact CB-CG 4.3Å; P99-F715 HydrophobicContact CG-CD1 3.63Å; P99-F715 HydrophobicContact CG-CE1 4.29Å; P99-F715 HydrophobicContact CG-CG 4.44Å; C100-F715 PolarHBondContact SG-O 3.13Å; F103-F715 HydrophobicContact CE2-CD1 4.3Å; F103-F715 HydrophobicContact CE2-CD2 4.34Å; F103-F715 AromaticContact CE2-CE1 3.79Å; F103-F715 HydrophobicContact CE2-CE1 3.79Å; F103-F715 AromaticContact CE2-CE2 3.84Å; F103-F715 HydrophobicContact CE2-CE2 3.84Å; F103-F715 AromaticContact CE2-CZ 3.52Å; F103-F715 HydrophobicContact CE2-CZ 3.52Å; F103-F715 HydrophobicContact CZ-CE1 4.46Å; F103-F715 HydrophobicContact CZ-CE2 4.08Å; F103-F715 AromaticContact CZ-CZ 3.8Å; F103-F715 HydrophobicContact CZ-CZ 3.8Å; F106-F715 HydrophobicContact CE1-CE1 4.47Å; L667-F715 HydrophobicContact CD2-CE1 4.36Å; Q671-F715 HydrophobicContact CB-CE1 4.08Å; Q671-F715 HydrophobicContact CB-CE2 4.11Å; Q671-F715 HydrophobicContact CB-CZ 3.57Å; Q671-F715 HydrophobicContact CG-CD1 4.44Å; Q671-F715 HydrophobicContact CG-CD2 4.48Å; Q671-F715 HydrophobicContact CG-CE1 3.95Å; Q671-F715 HydrophobicContact CG-CE2 3.99Å; Q671-F715 HydrophobicContact CG-CZ 3.71Å; F674-F715 HydrophobicContact CB-CE2 4.04Å; F674-F715 HydrophobicContact CD2-CE2 4.16Å; F674-F715 HydrophobicContact CG-CE2 4.42Å; F711-F715 AromaticContact CD2-CD2 3.48Å; F711-F715 HydrophobicContact CD2-CD2 3.48Å; F711-F715 VanDerWaalsContact CD2-CD2 3.48Å; F711-F715 AromaticContact CD2-CE2 3.8Å; F711-F715 HydrophobicContact CD2-CE2 3.8Å; F711-F715 HydrophobicContact CE2-CB 4.49Å; F711-F715 AromaticContact CE2-CD2 3.26Å; F711-F715 HydrophobicContact CE2-CD2 3.26Å; F711-F715 AromaticContact CE2-CE2 3.6Å; F711-F715 HydrophobicContact CE2-CE2 3.6Å; F711-F715 AromaticContact CE2-CG 3.98Å; F711-F715 HydrophobicContact CE2-CG 3.98Å; F711-F715 HydrophobicContact CG-CD2 4.4Å; F711-F715 HydrophobicContact CZ-CB 4.43Å; F711-F715 HydrophobicContact CZ-CD2 4.01Å; F711-F715 HydrophobicContact CZ-CG 4.31Å; F711-F715 PolarHBondContact O-N 3.01Å; F715-C717 PolarHBondContact O-N 3.38Å
716	R	96.7	Very high	94.6	Very high	230 Å²	230	55.8 Å²	55.8	87%	0.868	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	41	178	-54	179.5	-178	171.6	0.6	113.9	A712 R713	A712-R716 CarbonylContact O-C 3.59Å; A712-R716 VanDerWaalsContact O-CA 3.28Å; A712-R716 WeakPolarHBondContact O-CA 3.04Å; A712-R716 PolarHBondContact O-N 2.88Å; R713-R716 PolarHBondContact O-N 2.9Å
717	C	97	Very high	94.3	Very high	10 Å²	10	59.4 Å²	59.4	7%	0.068	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-71.9	131.1	-178.7	-53.2	0	0	0	0	111.8	C100 A712 F715 N724	C100-C717 VanDerWaalsContact CA-SG 3.57Å; C100-C717 HydrophobicContact CB-CB 3.61Å; C100-C717 WeakPolarHBondContact CB-SG 3.39Å; C100-C717 WeakPolarHBondContact SG-CA 3.37Å; C100-C717 WeakPolarHBondContact SG-CB 3.44Å; C100-C717 PolarHBondContact SG-N 2.86Å; C100-C717 CovalentContact SG-SG 2.04Å; C100-C717 PolarHBondContact SG-SG 2.84Å; A712-C717 HydrophobicContact CB-CB 4.11Å; A712-C717 PolarHBondContact O-N 3.18Å; F715-C717 PolarHBondContact O-N 3.38Å; C717-N724 HydrophobicContact CB-CB 3.96Å; C717-N724 PolarHBondContact O-ND2 3.13Å
718	A	95.9	Very high	93.9	Very high	74 Å²	74	64 Å²	64	61%	0.612	33%	0.329	S	S	*	.	P	Polyproline II helix	trans	-58.5	140.9	178.3	0	0	0	0	0	111.9	G720 A721 N724	A718-G720 PolarHBondContact O-N 3.21Å; A718-A721 WeakPolarHBondContact O-CB 3.33Å; A718-A721 PolarHBondContact O-N 3.49Å; A718-N724 WeakPolarHBondContact O-CB 3.41Å
719	R	94.5	Very high	93.6	Very high	203 Å²	203	64.2 Å²	64.2	77%	0.766	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	132.6	176.7	-176	-179.5	-177.9	176.3	2.4	109.7
720	G	90.7	Very high	92.9	Very high	52 Å²	52	68.3 Å²	68.3	54%	0.536	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.6	-6.3	-176.9	0	0	0	0	0	114.5	A718 N724	A718-G720 PolarHBondContact O-N 3.21Å; G720-N724 PolarHBondContact N-O 2.89Å
721	A	92.2	Very high	92.5	Very high	34 Å²	34	68 Å²	68	28%	0.281	34%	0.343	S	S	.	.	S	Bend	trans	-66.5	156.7	166.8	0	0	0	0	0	110.9	A718 L723 N724 P725	A718-A721 WeakPolarHBondContact O-CB 3.33Å; A718-A721 PolarHBondContact O-N 3.49Å; A721-L723 PolarHBondContact O-N 3.48Å; A721-L723 VanDerWaalsContact O-N 3.16Å; A721-N724 CarbonylContact O-C 3.55Å; A721-N724 WeakPolarHBondContact O-CA 3.32Å; A721-N724 PolarHBondContact O-N 3.38Å; A721-P725 VanDerWaalsContact O-N 3.15Å
722	L	91.5	Very high	92.1	Very high	87 Å²	87	69 Å²	69	46%	0.455	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-34.5	179.7	-67.6	175.2	0	0	0	113.3	A617 F618 S706	A617-L722 HydrophobicContact CB-CD2 4.18Å; F618-L722 HydrophobicContact CD1-CB 4.35Å; F618-L722 HydrophobicContact CD1-CD1 4.31Å; F618-L722 HydrophobicContact CE1-CB 3.64Å; F618-L722 HydrophobicContact CE1-CD1 4.4Å; F618-L722 HydrophobicContact CZ-CB 4.18Å; F618-L722 WeakPolarHBondContact CZ-O 3.45Å; S706-L722 VanDerWaalsContact CB-O 3.22Å; S706-L722 WeakPolarHBondContact CB-O 3.48Å
723	L	94.4	Very high	91.9	Very high	1 Å²	1	72.2 Å²	72.2	1%	0.005	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	7.4	175.7	-61.6	175.6	0	0	0	114.2	P99 F103 F618 H702 L705 F711 A721	P99-L723 WeakPolarHBondContact O-CD1 3.41Å; F103-L723 HydrophobicContact CB-CD1 3.95Å; F618-L723 HydrophobicContact CE1-CD2 3.89Å; F618-L723 HydrophobicContact CE1-CG 4.46Å; F618-L723 HydrophobicContact CZ-CD2 3.96Å; H702-L723 HydrophobicContact CB-CD2 3.92Å; L705-L723 HydrophobicContact CB-CD2 4.4Å; F711-L723 HydrophobicContact CE1-CB 3.89Å; F711-L723 HydrophobicContact CE1-CD1 4.19Å; F711-L723 HydrophobicContact CZ-CD1 4.39Å; A721-L723 PolarHBondContact O-N 3.48Å; A721-L723 VanDerWaalsContact O-N 3.16Å
724	N	95.4	Very high	91.7	Very high	17 Å²	17	66.9 Å²	66.9	9%	0.091	35%	0.346	C	S	.	.	S	Bend	trans	-148.2	61.6	169	-171.7	23.8	0	0	0	111.3	A712 C717 A718 G720 A721 R728	A712-N724 HydrophobicContact CB-CB 3.63Å; A712-N724 WeakPolarHBondContact CB-OD1 3.43Å; C717-N724 HydrophobicContact CB-CB 3.96Å; C717-N724 PolarHBondContact O-ND2 3.13Å; A718-N724 WeakPolarHBondContact O-CB 3.41Å; G720-N724 PolarHBondContact N-O 2.89Å; A721-N724 CarbonylContact O-C 3.55Å; A721-N724 WeakPolarHBondContact O-CA 3.32Å; A721-N724 PolarHBondContact O-N 3.38Å; N724-R728 PolarHBondContact OD1-NH2 3.18Å
725	P	93.1	Very high	91.4	Very high	22 Å²	22	66.6 Å²	66.6	14%	0.143	35%	0.35	C	S	.	.			trans	-63	153.3	-177.2	26.4	-34.2	0	0	0	111.7	H614 S706 A721 S727	H614-P725 WeakPolarHBondContact CE1-CG 3.23Å; S706-P725 WeakPolarHBondContact O-CD 3.45Å; A721-P725 VanDerWaalsContact O-N 3.15Å; P725-S727 CarbonylContact C-O 3.58Å; P725-S727 WeakPolarHBondContact CB-O 3.43Å; P725-S727 WeakPolarHBondContact CG-O 3.49Å
726	S	90.2	Very high	91	Very high	81 Å²	81	69.2 Å²	69.2	57%	0.566	37%	0.365	S	S	*	.	S	Bend	trans	-69.9	-32.8	-176.6	-71.9	0	0	0	0	113.4
727	S	88.7	Confident	90.7	Very high	78 Å²	78	59.2 Å²	59.2	55%	0.545	33%	0.334	S	S	.	.	S	Bend	trans	-96.6	152.3	166	52.1	0	0	0	0	109.7	H614 P725	H614-S727 PolarHBondContact CE1-O 3.35Å; H614-S727 PolarHBondContact NE2-O 3.31Å; P725-S727 CarbonylContact C-O 3.58Å; P725-S727 WeakPolarHBondContact CB-O 3.43Å; P725-S727 WeakPolarHBondContact CG-O 3.49Å
728	R	83.9	Confident	90.3	Very high	107 Å²	107	62.5 Å²	62.5	40%	0.404	35%	0.351	S	S	.	.			trans	-134.5	146.4	173	-66.5	-170.5	-175.6	117.5	0.6	110.6	N724	N724-R728 PolarHBondContact OD1-NH2 3.18Å
729	C	87.2	Confident	89.9	Confident	15 Å²	15	61.6 Å²	61.6	10%	0.101	33%	0.333	C	S	.	.			trans	-81.9	135.5	178.4	-45.7	0	0	0	0	110	C610 L611 H614	C610-C729 HydrophobicContact CB-CB 3.75Å; C610-C729 WeakPolarHBondContact CB-SG 3.38Å; C610-C729 PolarHBondContact O-SG 2.86Å; C610-C729 VanDerWaalsContact O-SG 3.35Å; C610-C729 WeakPolarHBondContact SG-CA 3.25Å; C610-C729 WeakPolarHBondContact SG-CB 3.47Å; C610-C729 PolarHBondContact SG-N 3.25Å; C610-C729 VanDerWaalsContact SG-N 3.35Å; C610-C729 CovalentContact SG-SG 2.05Å; C610-C729 PolarHBondContact SG-SG 2.91Å; L611-C729 HydrophobicContact CD2-CB 3.88Å; L611-C729 HydrophobicContact CG-CB 4.04Å; L611-C729 PolarHBondContact N-SG 3.14Å; L611-C729 VanDerWaalsContact N-SG 3.38Å; H614-C729 VanDerWaalsContact CD2-SG 3.54Å
730	Q	80	Confident	89.5	Confident	141 Å²	141	50.8 Å²	50.8	66%	0.659	30%	0.299	S	S	*	.			trans	-124	106.4	175.9	-174.3	169	-7	0	0	107.8
731	L	87.5	Confident	89.4	Confident	6 Å²	6	50.7 Å²	50.7	3%	0.031	28%	0.28	C	S	.	.			trans	-120.6	-71	175.6	-179.7	62.9	0	0	0	108.7	L457 W459 L591 L604 A607 L611 A636	L457-L731 VanDerWaalsContact CD2-O 3.29Å; L457-L731 WeakPolarHBondContact CD2-O 3.48Å; W459-L731 HydrophobicContact CZ2-CD1 4.32Å; W459-L731 PolarHBondContact NE1-O 3.44Å; L591-L731 HydrophobicContact CD1-CD2 4.12Å; L591-L731 HydrophobicContact CD2-CD1 3.88Å; L591-L731 HydrophobicContact CD2-CD2 4.26Å; L591-L731 HydrophobicContact CD2-CG 4.42Å; L604-L731 HydrophobicContact CD2-CD1 3.68Å; A607-L731 HydrophobicContact CB-CB 4.17Å; A607-L731 HydrophobicContact CB-CD1 3.93Å; L611-L731 HydrophobicContact CD1-CD2 3.95Å; A636-L731 HydrophobicContact CB-CD2 3.57Å
732	W	88.8	Confident	89.1	Confident	19 Å²	19	52.2 Å²	52.2	7%	0.072	28%	0.279	C	S	.	.			trans	-83	0	174.4	-57.8	115.8	0	0	0	112.4	R453 L457 W459 M460 L584 F587 L591 A636 G640	R453-W732 VanDerWaalsContact CD-OXT 3.3Å; R453-W732 WeakPolarHBondContact CD-OXT 3.22Å; R453-W732 WeakPolarHBondContact CG-OXT 3.37Å; R453-W732 PolarHBondContact NE-O 3.42Å; R453-W732 PolarHBondContact NE-OXT 3.13Å; R453-W732 PolarHBondContact NH2-O 3.35Å; R453-W732 PolarHBondContact NH2-OXT 3.21Å; L457-W732 HydrophobicContact CD1-CE3 4.27Å; L457-W732 HydrophobicContact CD1-CZ3 4.5Å; L457-W732 WeakPolarHBondContact CD2-OXT 3.36Å; W459-W732 HydrophobicContact CH2-CH2 4.5Å; W459-W732 HydrophobicContact CH2-CZ3 4.23Å; W459-W732 HydrophobicContact CZ2-CE3 4.25Å; W459-W732 HydrophobicContact CZ2-CH2 4.35Å; W459-W732 AromaticContact CZ2-CZ3 3.81Å; W459-W732 HydrophobicContact CZ2-CZ3 3.81Å; M460-W732 HydrophobicContact CE-CZ3 4.5Å; L584-W732 HydrophobicContact CB-CZ2 4.47Å; L584-W732 HydrophobicContact CD1-CD2 4.39Å; L584-W732 HydrophobicContact CD1-CG 4.18Å; L584-W732 HydrophobicContact CD2-CD2 3.65Å; L584-W732 HydrophobicContact CD2-CE3 3.83Å; L584-W732 HydrophobicContact CD2-CG 4.15Å; L584-W732 HydrophobicContact CD2-CH2 4.27Å; L584-W732 HydrophobicContact CD2-CZ2 4.04Å; L584-W732 HydrophobicContact CD2-CZ3 4.16Å; F587-W732 HydrophobicContact CB-CH2 3.49Å; F587-W732 VanDerWaalsContact CB-CH2 3.49Å; F587-W732 HydrophobicContact CB-CZ2 4.4Å; F587-W732 HydrophobicContact CB-CZ3 4.13Å; F587-W732 HydrophobicContact CD2-CH2 4.17Å; F587-W732 HydrophobicContact CD2-CZ3 4.15Å; F587-W732 HydrophobicContact CG-CH2 4.17Å; F587-W732 HydrophobicContact CG-CZ3 4.36Å; L591-W732 HydrophobicContact CD1-CH2 4.29Å; L591-W732 HydrophobicContact CD1-CZ2 3.65Å; L591-W732 HydrophobicContact CD2-CH2 4.15Å; L591-W732 HydrophobicContact CD2-CZ2 4.21Å; L591-W732 HydrophobicContact CG-CH2 4.26Å; L591-W732 HydrophobicContact CG-CZ2 4.12Å; A636-W732 PolarHBondContact O-NE1 3.27Å; G640-W732 VanDerWaalsContact CA-CD1 3.46Å

Retrieved 732 of 732 residues in 627 ms (Link to these results)

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