A0A060CY61_MAIZE Loading...

GRAS transcription factor

AlphaFold DB , UniProt , Accession A0A060CY61, Species MAIZE (Zea mays, Maize), Gene GRAS52, Length 623 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	38.8	Very low	42.2	Very low	245 Å²	245	165.9 Å²	165.9	100%	1.207	86%	0.859	S	S	*	*				0	115.6	0	-80.4	-179.9	-178.5	0	0	106.9
2	E	46.5	Very low	42.1	Very low	193 Å²	193	168.2 Å²	168.2	90%	0.902	86%	0.863	S	S	*	*			trans	31.7	115.4	173.8	-65.2	-138.4	131.4	0	0	122.5
3	P	49	Very low	41.7	Very low	131 Å²	131	160.8 Å²	160.8	85%	0.851	85%	0.854	S	S	*	*			trans	-112.5	156.7	144.1	37	-24.7	0	0	0	111.9
4	G	41.6	Very low	41.4	Very low	79 Å²	79	166.6 Å²	166.6	81%	0.814	86%	0.861	S	S	*	*			trans	160	145.4	165.9	0	0	0	0	0	111.9
5	A	45.8	Very low	41.3	Very low	98 Å²	98	162.2 Å²	162.2	81%	0.81	85%	0.85	S	S	*	*			cis	-165.4	167.2	-4.9	0	0	0	0	0	107.2
6	P	50.3	Low	40.9	Very low	106 Å²	106	165.2 Å²	165.2	69%	0.688	85%	0.849	S	S	*	*			trans	-115.2	177.1	-172.2	26.8	-5.3	0	0	0	114.7
7	W	36.3	Very low	40.5	Very low	233 Å²	233	160.4 Å²	160.4	88%	0.883	85%	0.849	S	S	*	*			trans	78.3	121.1	163.3	-56.4	92.6	0	0	0	120.6
8	R	42.9	Very low	40.1	Very low	252 Å²	252	159.2 Å²	159.2	95%	0.951	85%	0.849	S	S	*	*			trans	-151.5	144.9	130.8	-85.2	-149.3	-172.1	-106.7	0.1	112.6
9	D	39.2	Very low	39.8	Very low	146 Å²	146	154.6 Å²	154.6	78%	0.781	84%	0.843	S	S	*	*			trans	-74.8	155	-167.4	-174.1	-53.4	0	0	0	115.5
10	P	40.1	Very low	39.5	Very low	101 Å²	101	152.7 Å²	152.7	66%	0.656	84%	0.842	S	S	*	*			trans	-91.4	130.5	-179	35.9	-35.3	0	0	0	115.5
11	R	34.4	Very low	39	Very low	241 Å²	241	150 Å²	150	91%	0.909	84%	0.839	S	S	*	*			trans	155.1	98.7	147.7	-88.1	162.2	-175.5	-154.8	2.9	110.9
12	Q	40.7	Very low	38.7	Very low	193 Å²	193	147 Å²	147	90%	0.902	83%	0.825	S	S	*	*			trans	-168.9	109.9	160.1	-101.9	169.6	48.4	0	0	103.9
13	G	36.5	Very low	37.9	Very low	73 Å²	73	146 Å²	146	75%	0.753	82%	0.82	S	S	*	*				100.7	92.7	67.9	0	0	0	0	0	108.1
14	Y	37.3	Very low	37.1	Very low	241 Å²	241	147.4 Å²	147.4	95%	0.945	82%	0.819	S	S	*	*			trans	-122.2	121.9	162.1	-84.1	-77.3	0	0	0	109.5
15	S	40.3	Very low	36.3	Very low	101 Å²	101	151.7 Å²	151.7	71%	0.706	82%	0.818	S	S	*	*			trans	-96.5	140	-172.1	150	0	0	0	0	110.5
16	Y	35.1	Very low	35.7	Very low	210 Å²	210	153.2 Å²	153.2	82%	0.824	81%	0.812	S	S	*	*			trans	37.5	116.2	149.2	-70.8	-88.7	0	0	0	120.7	V18	Y16-V18 HydrophobicContact CD1-CG2 4.36Å
17	G	33.4	Very low	34.8	Very low	83 Å²	83	156.2 Å²	156.2	86%	0.856	82%	0.817	S	S	*	*			trans	-132.3	100.8	149.3	0	0	0	0	0	109.6
18	V	33.8	Very low	34.5	Very low	139 Å²	139	152.9 Å²	152.9	84%	0.842	82%	0.816	S	S	*	*			trans	-84.1	120.3	168.3	175.5	0	0	0	0	107.1	Y16	Y16-V18 HydrophobicContact CD1-CG2 4.36Å
19	G	34	Very low	34	Very low	72 Å²	72	148 Å²	148	74%	0.742	80%	0.804	S	S	*	*			trans	-144	96.3	-178.6	0	0	0	0	0	111.6
20	S	33.3	Very low	33.6	Very low	116 Å²	116	149.2 Å²	149.2	81%	0.811	81%	0.805	S	S	*	*			trans	35.8	117.8	152.9	-155.1	0	0	0	0	120.3
21	A	29.1	Very low	33.1	Very low	96 Å²	96	156.5 Å²	156.5	79%	0.793	82%	0.819	S	S	*	*			trans	-51.9	137.1	154.1	0	0	0	0	0	111.7
22	M	32.4	Very low	33	Very low	183 Å²	183	148.8 Å²	148.8	90%	0.901	81%	0.807	S	S	*	*			trans	-132.4	111.7	155.9	-140.8	-177.6	-178.2	0	0	108.6
23	Q	30	Very low	32.6	Very low	173 Å²	173	147.3 Å²	147.3	81%	0.808	81%	0.805	S	S	*	*			trans	-72.8	122	177.8	-165.8	173.4	23.6	0	0	108.4
24	L	31.8	Very low	32.5	Very low	159 Å²	159	148.7 Å²	148.7	83%	0.832	81%	0.81	S	S	*	*			trans	-128.6	81.2	166.8	-112.5	158.3	0	0	0	108.4
25	Q	26.8	Very low	32.3	Very low	169 Å²	169	141.9 Å²	141.9	79%	0.79	80%	0.803	S	S	*	*			trans	-100.2	106.1	160.2	-171.8	173.7	13	0	0	105.3
26	L	32.3	Very low	32	Very low	130 Å²	130	142.2 Å²	142.2	68%	0.681	81%	0.812	S	S	*	*			trans	-146.3	109.1	167.6	-118.5	123.8	0	0	0	111.5
27	Q	31.4	Very low	31.7	Very low	170 Å²	170	136.4 Å²	136.4	79%	0.794	82%	0.816	S	S	*	*			trans	66.2	92.4	142.1	-72.8	177.3	-8.3	0	0	118.8
28	L	29.1	Very low	31.6	Very low	162 Å²	162	136 Å²	136	85%	0.848	81%	0.811	S	S	*	*				-38.9	144.1	125.1	-89.6	141.9	0	0	0	112
29	Q	32.2	Very low	31.4	Very low	151 Å²	151	133 Å²	133	71%	0.706	81%	0.809	S	S	*	*			trans	108.5	115	156.3	-145.2	65.2	12.9	0	0	116.3
30	Q	31.6	Very low	31.7	Very low	171 Å²	171	136 Å²	136	80%	0.799	81%	0.813	S	S	*	*			trans	77.2	94.3	157.8	-72.6	162.9	7	0	0	119.2
31	R	29	Very low	32.1	Very low	253 Å²	253	138.2 Å²	138.2	96%	0.955	81%	0.814	S	S	*	*				-150.6	104.3	126.3	-131.6	174.6	-178.6	140.8	-0.9	110.6
32	A	33.1	Very low	33	Very low	79 Å²	79	143.2 Å²	143.2	65%	0.653	82%	0.818	S	S	*	*			trans	-78.9	157.6	160.3	0	0	0	0	0	109.3
33	D	32.3	Very low	34.1	Very low	163 Å²	163	142.4 Å²	142.4	87%	0.872	81%	0.805	S	S	*	*			trans	92.5	120	163.1	-55.8	-28.8	0	0	0	119.5
34	A	33.6	Very low	36.1	Very low	102 Å²	102	137 Å²	137	84%	0.843	79%	0.787	S	S	*	*			trans	81	94.4	154.5	0	0	0	0	0	118.8
35	A	33.6	Very low	37.6	Very low	98 Å²	98	135.6 Å²	135.6	81%	0.81	78%	0.779	S	S	*	*				164.2	115.1	97.6	0	0	0	0	0	113.3
36	A	33.9	Very low	40	Very low	108 Å²	108	129 Å²	129	89%	0.893	76%	0.756	S	S	*	*			trans	64.8	102.1	141.7	0	0	0	0	0	121.8
37	G	28.9	Very low	41.8	Very low	88 Å²	88	127.2 Å²	127.2	91%	0.907	75%	0.745	S	S	*	*				97	75.1	123.9	0	0	0	0	0	118.5
38	G	31.1	Very low	43.4	Very low	73 Å²	73	123.1 Å²	123.1	75%	0.753	73%	0.727	S	S	*	*			trans	-164.2	75.7	169.9	0	0	0	0	0	111.9	V40	G38-V40 PolarHBondContact O-N 3.21Å; G38-V40 VanDerWaalsContact O-N 3.12Å
39	G	30.3	Very low	45.5	Very low	77 Å²	77	120.9 Å²	120.9	79%	0.794	71%	0.713	S	S	*	*			trans	-76.5	92.6	-179.5	0	0	0	0	0	112.1	L41	G39-L41 PolarHBondContact O-N 3.42Å
40	V	39.9	Very low	47.6	Very low	136 Å²	136	121.9 Å²	121.9	82%	0.824	71%	0.71	S	S	*	*			trans	-74.6	96.2	158.4	178.3	0	0	0	0	106.9	G38 K42	G38-V40 PolarHBondContact O-N 3.21Å; G38-V40 VanDerWaalsContact O-N 3.12Å; V40-K42 PolarHBondContact O-N 3.06Å
41	L	41.9	Very low	49.5	Very low	161 Å²	161	120.2 Å²	120.2	84%	0.843	70%	0.697	S	S	*	*			trans	-66.9	101.3	173.1	-76.1	164.1	0	0	0	108.7	G39 R43	G39-L41 PolarHBondContact O-N 3.42Å; L41-R43 PolarHBondContact O-N 3.27Å
42	K	48.2	Very low	51.5	Low	202 Å²	202	113.7 Å²	113.7	88%	0.878	68%	0.677	S	S	*	*			trans	-58.9	103.8	161	-76.5	-179.1	174.8	178	0	107.4	V40 S44	V40-K42 PolarHBondContact O-N 3.06Å; K42-S44 PolarHBondContact O-N 3.15Å
43	R	55	Low	53.6	Low	166 Å²	166	115.4 Å²	115.4	63%	0.626	67%	0.671	S	S	*	*			trans	-52.5	134.5	171.7	-72	177.9	175.5	147.6	-0.9	108.8	L41 E47	L41-R43 PolarHBondContact O-N 3.27Å; R43-E47 HydrophobicContact CB-CB 4.49Å
44	S	72.1	Confident	55.6	Low	60 Å²	60	112.5 Å²	112.5	42%	0.42	65%	0.652	S	S	.	*			trans	-64.2	149.5	172.3	62.8	0	0	0	0	109.8	K42 G46 E47 L48	K42-S44 PolarHBondContact O-N 3.15Å; S44-G46 PolarHBondContact O-N 2.94Å; S44-G46 VanDerWaalsContact O-N 3.16Å; S44-E47 PolarHBondContact N-OE2 3.44Å; S44-E47 WeakPolarHBondContact O-CB 3.27Å; S44-E47 PolarHBondContact O-N 2.97Å; S44-E47 VanDerWaalsContact OG-CG 3.27Å; S44-E47 WeakPolarHBondContact OG-CG 3.31Å; S44-E47 PolarHBondContact OG-N 3.37Å; S44-E47 PolarHBondContact OG-OE2 3.37Å; S44-E47 VanDerWaalsContact OG-OE2 3.07Å; S44-L48 PolarHBondContact O-N 2.94Å; S44-L48 VanDerWaalsContact O-N 3.07Å
45	L	63.8	Low	57.2	Low	129 Å²	129	112.1 Å²	112.1	68%	0.675	63%	0.633	S	S	*	*	H	α-helix	trans	-50.5	-41.7	178	-168.5	91.5	0	0	0	111.6	E47 L48 E49	L45-E47 VanDerWaalsContact C-N 3.33Å; L45-E47 PolarHBondContact O-N 3.36Å; L45-L48 WeakPolarHBondContact O-CB 3.39Å; L45-L48 PolarHBondContact O-N 2.76Å; L45-E49 WeakPolarHBondContact O-CG 3.49Å; L45-E49 PolarHBondContact O-N 3.25Å
46	G	77.4	Confident	59.1	Low	30 Å²	30	113.8 Å²	113.8	31%	0.309	62%	0.624	S	S	.	*	H	α-helix	trans	-72.3	-18.3	178.1	0	0	0	0	0	115.2	S44 R50	S44-G46 PolarHBondContact O-N 2.94Å; S44-G46 VanDerWaalsContact O-N 3.16Å; G46-R50 WeakPolarHBondContact O-CB 3.32Å; G46-R50 VanDerWaalsContact O-CG 3.29Å; G46-R50 WeakPolarHBondContact O-CG 3.32Å; G46-R50 PolarHBondContact O-N 2.98Å; G46-R50 PolarHBondContact O-NE 3.18Å; G46-R50 VanDerWaalsContact O-NE 3.1Å
47	E	68.7	Low	60.9	Low	93 Å²	93	114.1 Å²	114.1	44%	0.435	61%	0.607	S	S	.	*	H	α-helix	trans	-79.4	-36.8	167.3	-77.3	167.3	156.5	0	0	111.4	R43 S44 L45 R50 W51	R43-E47 HydrophobicContact CB-CB 4.49Å; S44-E47 PolarHBondContact N-OE2 3.44Å; S44-E47 WeakPolarHBondContact O-CB 3.27Å; S44-E47 PolarHBondContact O-N 2.97Å; S44-E47 VanDerWaalsContact OG-CG 3.27Å; S44-E47 WeakPolarHBondContact OG-CG 3.31Å; S44-E47 PolarHBondContact OG-N 3.37Å; S44-E47 PolarHBondContact OG-OE2 3.37Å; S44-E47 VanDerWaalsContact OG-OE2 3.07Å; L45-E47 VanDerWaalsContact C-N 3.33Å; L45-E47 PolarHBondContact O-N 3.36Å; E47-R50 PolarHBondContact O-N 3.05Å; E47-W51 VanDerWaalsContact O-CB 3.26Å; E47-W51 WeakPolarHBondContact O-CB 3.17Å; E47-W51 PolarHBondContact O-N 2.94Å
48	L	65.3	Low	62.6	Low	83 Å²	83	114.4 Å²	114.4	44%	0.435	59%	0.585	S	S	.	*	H	α-helix	trans	-64.6	-45.2	174.5	-170.4	68	0	0	0	111	S44 L45 R50 W51 Q52	S44-L48 PolarHBondContact O-N 2.94Å; S44-L48 VanDerWaalsContact O-N 3.07Å; L45-L48 WeakPolarHBondContact O-CB 3.39Å; L45-L48 PolarHBondContact O-N 2.76Å; L48-R50 PolarHBondContact O-N 3.24Å; L48-W51 PolarHBondContact O-N 2.74Å; L48-Q52 WeakPolarHBondContact O-CB 3.34Å; L48-Q52 PolarHBondContact O-N 3.36Å
49	E	74.1	Confident	64.4	Low	116 Å²	116	113.7 Å²	113.7	54%	0.542	57%	0.566	S	S	.	*	H	α-helix	trans	-61.9	-42.9	175.8	-73.8	174.3	166.3	0	0	112.1	L45 Q52 H53	L45-E49 WeakPolarHBondContact O-CG 3.49Å; L45-E49 PolarHBondContact O-N 3.25Å; E49-Q52 PolarHBondContact O-N 2.72Å; E49-H53 WeakPolarHBondContact O-CB 3.34Å; E49-H53 PolarHBondContact O-N 2.93Å
50	R	76.2	Confident	66.2	Low	172 Å²	172	112.6 Å²	112.6	65%	0.649	55%	0.549	S	S	*	.	H	α-helix	trans	-65.6	-40.4	175.7	-79.5	-174.6	-69.9	171.2	0.5	112.3	G46 E47 L48 H53 H54	G46-R50 WeakPolarHBondContact O-CB 3.32Å; G46-R50 VanDerWaalsContact O-CG 3.29Å; G46-R50 WeakPolarHBondContact O-CG 3.32Å; G46-R50 PolarHBondContact O-N 2.98Å; G46-R50 PolarHBondContact O-NE 3.18Å; G46-R50 VanDerWaalsContact O-NE 3.1Å; E47-R50 PolarHBondContact O-N 3.05Å; L48-R50 PolarHBondContact O-N 3.24Å; R50-H53 PolarHBondContact O-N 3.12Å; R50-H54 WeakPolarHBondContact O-CB 3.36Å; R50-H54 PolarHBondContact O-N 3.49Å
51	W	70.6	Confident	67.5	Low	136 Å²	136	108.7 Å²	108.7	52%	0.515	53%	0.531	S	S	.	.	H	α-helix	trans	-64.5	-43.1	176.5	-177.3	84.5	0	0	0	111.2	E47 L48 H54 Q55	E47-W51 VanDerWaalsContact O-CB 3.26Å; E47-W51 WeakPolarHBondContact O-CB 3.17Å; E47-W51 PolarHBondContact O-N 2.94Å; L48-W51 PolarHBondContact O-N 2.74Å; W51-H54 PolarHBondContact O-N 2.86Å; W51-Q55 HydrophobicContact CD2-CG 4.46Å; W51-Q55 HydrophobicContact CE3-CG 4.5Å; W51-Q55 HydrophobicContact CH2-CG 4.06Å; W51-Q55 HydrophobicContact CZ2-CG 4Å; W51-Q55 HydrophobicContact CZ3-CG 4.31Å; W51-Q55 WeakPolarHBondContact O-CB 3.46Å; W51-Q55 PolarHBondContact O-N 2.96Å
52	Q	72.4	Confident	68.6	Low	116 Å²	116	104.6 Å²	104.6	54%	0.542	51%	0.507	S	S	.	.	H	α-helix	trans	-63.5	-44.9	176	-170.2	179.5	5.7	0	0	111.8	L48 E49 H54 Q55 Q56	L48-Q52 WeakPolarHBondContact O-CB 3.34Å; L48-Q52 PolarHBondContact O-N 3.36Å; E49-Q52 PolarHBondContact O-N 2.72Å; Q52-H54 VanDerWaalsContact C-N 3.34Å; Q52-H54 PolarHBondContact O-N 3.47Å; Q52-Q55 WeakPolarHBondContact O-CB 3.08Å; Q52-Q55 PolarHBondContact O-N 3.31Å; Q52-Q56 WeakPolarHBondContact O-CB 3.22Å; Q52-Q56 PolarHBondContact O-N 3.26Å
53	H	76.1	Confident	69.4	Low	114 Å²	114	97 Å²	97	53%	0.528	48%	0.475	S	S	.	.	H	α-helix	trans	-65	-37.2	177.2	-167.3	-83.6	0	0	0	112.2	E49 R50 Q56 Q57	E49-H53 WeakPolarHBondContact O-CB 3.34Å; E49-H53 PolarHBondContact O-N 2.93Å; R50-H53 PolarHBondContact O-N 3.12Å; H53-Q56 PolarHBondContact O-N 3.48Å; H53-Q57 PolarHBondContact CE1-NE2 3.13Å; H53-Q57 PolarHBondContact O-N 3.1Å
54	H	73.8	Confident	69.9	Low	102 Å²	102	92 Å²	92	47%	0.472	47%	0.469	S	S	.	.	H	α-helix	trans	-67.1	-43.4	175.2	-169.2	75.9	0	0	0	111.9	R50 W51 Q52 Q56 Q57 Q58	R50-H54 WeakPolarHBondContact O-CB 3.36Å; R50-H54 PolarHBondContact O-N 3.49Å; W51-H54 PolarHBondContact O-N 2.86Å; Q52-H54 VanDerWaalsContact C-N 3.34Å; Q52-H54 PolarHBondContact O-N 3.47Å; H54-Q56 VanDerWaalsContact C-N 3.35Å; H54-Q56 PolarHBondContact O-N 3.04Å; H54-Q57 PolarHBondContact O-N 3.33Å; H54-Q58 PolarHBondContact NE2-NE2 3.39Å; H54-Q58 WeakPolarHBondContact O-CG 3.39Å; H54-Q58 PolarHBondContact O-N 2.91Å
55	Q	68.9	Low	69.6	Low	94 Å²	94	93.6 Å²	93.6	44%	0.439	47%	0.473	S	S	.	.	H	α-helix	trans	-55.3	-49.2	171.7	-100.8	-87.8	-28.2	0	0	111.1	W51 Q52 Q57 Q58 V59	W51-Q55 HydrophobicContact CD2-CG 4.46Å; W51-Q55 HydrophobicContact CE3-CG 4.5Å; W51-Q55 HydrophobicContact CH2-CG 4.06Å; W51-Q55 HydrophobicContact CZ2-CG 4Å; W51-Q55 HydrophobicContact CZ3-CG 4.31Å; W51-Q55 WeakPolarHBondContact O-CB 3.46Å; W51-Q55 PolarHBondContact O-N 2.96Å; Q52-Q55 WeakPolarHBondContact O-CB 3.08Å; Q52-Q55 PolarHBondContact O-N 3.31Å; Q55-Q57 VanDerWaalsContact C-N 3.34Å; Q55-Q57 PolarHBondContact O-N 2.91Å; Q55-Q58 PolarHBondContact O-N 3.31Å; Q55-Q58 VanDerWaalsContact O-N 3.12Å; Q55-V59 WeakPolarHBondContact O-CG2 3.29Å; Q55-V59 PolarHBondContact O-N 2.85Å
56	Q	71.6	Confident	69.5	Low	134 Å²	134	93.9 Å²	93.9	63%	0.626	47%	0.466	S	S	*	.	H	α-helix	trans	-65.4	-35.7	-179.3	-163.6	152	29.5	0	0	112.9	Q52 H53 H54 A60	Q52-Q56 WeakPolarHBondContact O-CB 3.22Å; Q52-Q56 PolarHBondContact O-N 3.26Å; H53-Q56 PolarHBondContact O-N 3.48Å; H54-Q56 VanDerWaalsContact C-N 3.35Å; H54-Q56 PolarHBondContact O-N 3.04Å; Q56-A60 WeakPolarHBondContact O-CB 3.46Å; Q56-A60 PolarHBondContact O-N 3.45Å
57	Q	72.1	Confident	68.9	Low	115 Å²	115	94.9 Å²	94.9	54%	0.537	46%	0.464	S	S	.	.	H	α-helix	trans	-66.5	-38.6	171.8	-81.5	-174.7	-21.3	0	0	112.8	H53 H54 Q55 A60 A61	H53-Q57 PolarHBondContact CE1-NE2 3.13Å; H53-Q57 PolarHBondContact O-N 3.1Å; H54-Q57 PolarHBondContact O-N 3.33Å; Q55-Q57 VanDerWaalsContact C-N 3.34Å; Q55-Q57 PolarHBondContact O-N 2.91Å; Q57-A60 PolarHBondContact O-N 3.22Å; Q57-A61 WeakPolarHBondContact O-CB 3.38Å; Q57-A61 PolarHBondContact O-N 3.17Å
58	Q	66.2	Low	68.6	Low	94 Å²	94	98.4 Å²	98.4	44%	0.439	47%	0.473	S	S	.	.	H	α-helix	trans	-66.2	-42.7	176.2	-72.3	-154.3	2.1	0	0	111.8	H54 Q55 A61 Q62	H54-Q58 PolarHBondContact NE2-NE2 3.39Å; H54-Q58 WeakPolarHBondContact O-CG 3.39Å; H54-Q58 PolarHBondContact O-N 2.91Å; Q55-Q58 PolarHBondContact O-N 3.31Å; Q55-Q58 VanDerWaalsContact O-N 3.12Å; Q58-A61 PolarHBondContact O-N 3.48Å; Q58-Q62 WeakPolarHBondContact O-CG 3.45Å; Q58-Q62 PolarHBondContact O-N 2.83Å
59	V	68.3	Low	68.3	Low	58 Å²	58	96.4 Å²	96.4	35%	0.352	47%	0.468	S	S	.	.	H	α-helix	trans	-59.8	-46.7	173.8	172.9	0	0	0	0	110.4	Q55 A61 Q62 Q63	Q55-V59 WeakPolarHBondContact O-CG2 3.29Å; Q55-V59 PolarHBondContact O-N 2.85Å; V59-A61 VanDerWaalsContact C-N 3.34Å; V59-A61 PolarHBondContact O-N 2.95Å; V59-Q62 PolarHBondContact O-N 2.9Å; V59-Q63 HydrophobicContact CG1-CG 4.47Å; V59-Q63 VanDerWaalsContact CG1-NE2 3.34Å; V59-Q63 WeakPolarHBondContact O-CB 3.3Å; V59-Q63 VanDerWaalsContact O-CG 3.3Å; V59-Q63 WeakPolarHBondContact O-CG 3.34Å; V59-Q63 PolarHBondContact O-N 3.34Å
60	A	67.3	Low	67.7	Low	53 Å²	53	93.5 Å²	93.5	44%	0.438	46%	0.458	S	S	.	.	H	α-helix	trans	-61.8	-39.1	177.2	0	0	0	0	0	113	Q56 Q57 Q63 A64	Q56-A60 WeakPolarHBondContact O-CB 3.46Å; Q56-A60 PolarHBondContact O-N 3.45Å; Q57-A60 PolarHBondContact O-N 3.22Å; A60-Q63 PolarHBondContact O-N 3.47Å; A60-A64 WeakPolarHBondContact O-CB 3.44Å; A60-A64 PolarHBondContact O-N 3.45Å
61	A	67.8	Low	67	Low	54 Å²	54	93.6 Å²	93.6	45%	0.446	46%	0.459	S	S	.	.	H	α-helix	trans	-67.7	-41.5	176.7	0	0	0	0	0	112	Q57 Q58 V59 A64 L65	Q57-A61 WeakPolarHBondContact O-CB 3.38Å; Q57-A61 PolarHBondContact O-N 3.17Å; Q58-A61 PolarHBondContact O-N 3.48Å; V59-A61 VanDerWaalsContact C-N 3.34Å; V59-A61 PolarHBondContact O-N 2.95Å; A61-A64 PolarHBondContact O-N 3.5Å; A61-L65 WeakPolarHBondContact O-CG 3.4Å; A61-L65 PolarHBondContact O-N 2.78Å
62	Q	64.7	Low	66.4	Low	75 Å²	75	92.9 Å²	92.9	35%	0.35	46%	0.461	S	S	.	.	H	α-helix	trans	-62.9	-42.5	174.5	-73.4	-174	26.6	0	0	111.4	Q58 V59 A64 L65 Y66	Q58-Q62 WeakPolarHBondContact O-CG 3.45Å; Q58-Q62 PolarHBondContact O-N 2.83Å; V59-Q62 PolarHBondContact O-N 2.9Å; Q62-A64 PolarHBondContact O-N 3.25Å; Q62-L65 PolarHBondContact O-N 2.82Å; Q62-Y66 WeakPolarHBondContact O-CB 3.46Å; Q62-Y66 PolarHBondContact O-N 3.46Å
63	Q	64.9	Low	65.5	Low	42 Å²	42	95 Å²	95	20%	0.196	46%	0.464	C	S	.	.	H	α-helix	trans	-63.1	-39.9	175.4	-72.9	174	4.7	0	0	112.1	V59 A60 L65 Y66 L67 Q165	V59-Q63 HydrophobicContact CG1-CG 4.47Å; V59-Q63 VanDerWaalsContact CG1-NE2 3.34Å; V59-Q63 WeakPolarHBondContact O-CB 3.3Å; V59-Q63 VanDerWaalsContact O-CG 3.3Å; V59-Q63 WeakPolarHBondContact O-CG 3.34Å; V59-Q63 PolarHBondContact O-N 3.34Å; A60-Q63 PolarHBondContact O-N 3.47Å; Q63-L65 VanDerWaalsContact C-N 3.35Å; Q63-L65 PolarHBondContact O-N 2.84Å; Q63-Y66 PolarHBondContact O-N 2.78Å; Q63-L67 WeakPolarHBondContact O-CB 3.4Å; Q63-L67 WeakPolarHBondContact O-CG 3.45Å; Q63-L67 PolarHBondContact O-N 3.02Å; Q63-Q165 VanDerWaalsContact NE2-NE2 3.17Å; Q63-Q165 VanDerWaalsContact OE1-NE2 3.16Å
64	A	65.8	Low	64.4	Low	61 Å²	61	93.5 Å²	93.5	50%	0.504	46%	0.463	S	S	.	.	H	α-helix	trans	-63.3	-40	175.9	0	0	0	0	0	112.3	A60 A61 Q62 R68	A60-A64 WeakPolarHBondContact O-CB 3.44Å; A60-A64 PolarHBondContact O-N 3.45Å; A61-A64 PolarHBondContact O-N 3.5Å; Q62-A64 PolarHBondContact O-N 3.25Å; A64-R68 WeakPolarHBondContact O-CB 3.35Å; A64-R68 PolarHBondContact O-N 2.85Å; A64-R68 VanDerWaalsContact O-N 3.07Å
65	L	66.1	Low	63.1	Low	94 Å²	94	91.3 Å²	91.3	49%	0.492	46%	0.463	S	S	.	.	H	α-helix	trans	-67.6	-42	174.7	-70.4	173.6	0	0	0	111.8	A61 Q62 Q63 R68 A69	A61-L65 WeakPolarHBondContact O-CG 3.4Å; A61-L65 PolarHBondContact O-N 2.78Å; Q62-L65 PolarHBondContact O-N 2.82Å; Q63-L65 VanDerWaalsContact C-N 3.35Å; Q63-L65 PolarHBondContact O-N 2.84Å; L65-R68 PolarHBondContact O-N 2.79Å; L65-A69 PolarHBondContact O-N 2.85Å
66	Y	61.4	Low	62	Low	135 Å²	135	89.1 Å²	89.1	53%	0.529	46%	0.461	S	S	.	.	H	α-helix	trans	-60.5	-50.4	175.7	178.3	-97.8	0	0	0	111.4	Q62 Q63 R68 A69 V70	Q62-Y66 WeakPolarHBondContact O-CB 3.46Å; Q62-Y66 PolarHBondContact O-N 3.46Å; Q63-Y66 PolarHBondContact O-N 2.78Å; Y66-R68 VanDerWaalsContact C-N 3.26Å; Y66-R68 PolarHBondContact O-N 2.92Å; Y66-A69 WeakPolarHBondContact O-CB 3.42Å; Y66-A69 PolarHBondContact O-N 3.26Å; Y66-V70 HydrophobicContact CD1-CG2 4.01Å; Y66-V70 HydrophobicContact CD2-CG2 4.48Å; Y66-V70 HydrophobicContact CE1-CG2 3.57Å; Y66-V70 HydrophobicContact CE2-CG2 4.09Å; Y66-V70 HydrophobicContact CG-CG2 4.44Å; Y66-V70 WeakPolarHBondContact O-CG2 3.45Å; Y66-V70 PolarHBondContact O-N 2.78Å
67	L	63.8	Low	60.7	Low	51 Å²	51	85.6 Å²	85.6	27%	0.267	45%	0.454	S	S	.	.	H	α-helix	trans	-61	-35.3	177.5	-72	171.9	0	0	0	112.3	Q63 R71 L161	Q63-L67 WeakPolarHBondContact O-CB 3.4Å; Q63-L67 WeakPolarHBondContact O-CG 3.45Å; Q63-L67 PolarHBondContact O-N 3.02Å; L67-R71 WeakPolarHBondContact O-CB 3.24Å; L67-R71 VanDerWaalsContact O-CG 3.29Å; L67-R71 WeakPolarHBondContact O-CG 3.33Å; L67-R71 PolarHBondContact O-N 2.82Å; L67-L161 HydrophobicContact CD1-CD2 4.34Å
68	R	63.9	Low	59.6	Low	168 Å²	168	84.6 Å²	84.6	63%	0.634	46%	0.456	S	S	*	.	H	α-helix	trans	-65.9	-43.1	173.8	-171.7	175.9	-176.4	136.6	-0.6	111.4	A64 L65 Y66 Q72	A64-R68 WeakPolarHBondContact O-CB 3.35Å; A64-R68 PolarHBondContact O-N 2.85Å; A64-R68 VanDerWaalsContact O-N 3.07Å; L65-R68 PolarHBondContact O-N 2.79Å; Y66-R68 VanDerWaalsContact C-N 3.26Å; Y66-R68 PolarHBondContact O-N 2.92Å; R68-Q72 WeakPolarHBondContact O-CB 3.49Å; R68-Q72 VanDerWaalsContact O-CG 3.3Å; R68-Q72 WeakPolarHBondContact O-CG 3.45Å; R68-Q72 PolarHBondContact O-N 2.8Å
69	A	57.5	Low	58.8	Low	40 Å²	40	85.2 Å²	85.2	33%	0.331	46%	0.462	S	S	.	.	H	α-helix	trans	-65.7	-42.6	177	0	0	0	0	0	112	L65 Y66 Q72 R73	L65-A69 PolarHBondContact O-N 2.85Å; Y66-A69 WeakPolarHBondContact O-CB 3.42Å; Y66-A69 PolarHBondContact O-N 3.26Å; A69-Q72 PolarHBondContact O-N 2.83Å; A69-R73 WeakPolarHBondContact O-CG 3.49Å; A69-R73 PolarHBondContact O-N 2.78Å
70	V	63	Low	57.7	Low	55 Å²	55	87.2 Å²	87.2	33%	0.333	47%	0.47	S	S	.	.	H	α-helix	trans	-60.5	-52	174.8	173.8	0	0	0	0	110	Y66 Q72 R73 T74	Y66-V70 HydrophobicContact CD1-CG2 4.01Å; Y66-V70 HydrophobicContact CD2-CG2 4.48Å; Y66-V70 HydrophobicContact CE1-CG2 3.57Å; Y66-V70 HydrophobicContact CE2-CG2 4.09Å; Y66-V70 HydrophobicContact CG-CG2 4.44Å; Y66-V70 WeakPolarHBondContact O-CG2 3.45Å; Y66-V70 PolarHBondContact O-N 2.78Å; V70-Q72 VanDerWaalsContact C-N 3.31Å; V70-Q72 PolarHBondContact O-N 3.28Å; V70-R73 CarbonylContact O-C 3.58Å; V70-R73 WeakPolarHBondContact O-CA 3.29Å; V70-R73 WeakPolarHBondContact O-CB 3.37Å; V70-R73 PolarHBondContact O-N 2.92Å; V70-T74 PolarHBondContact O-N 3.3Å; V70-T74 PolarHBondContact O-OG1 2.9Å
71	R	61.1	Low	56.5	Low	175 Å²	175	87.9 Å²	87.9	66%	0.66	48%	0.475	S	S	*	.	H	α-helix	trans	-57.3	-40.7	178.5	-76.7	178.4	-178.7	133.5	0.8	113	L67 R73 T74 A75	L67-R71 WeakPolarHBondContact O-CB 3.24Å; L67-R71 VanDerWaalsContact O-CG 3.29Å; L67-R71 WeakPolarHBondContact O-CG 3.33Å; L67-R71 PolarHBondContact O-N 2.82Å; R71-R73 VanDerWaalsContact C-N 3.34Å; R71-T74 PolarHBondContact O-N 3.49Å; R71-A75 WeakPolarHBondContact O-CB 3.37Å; R71-A75 PolarHBondContact O-N 2.9Å
72	Q	58.1	Low	55.6	Low	121 Å²	121	88.9 Å²	88.9	57%	0.565	48%	0.483	S	S	*	.	H	α-helix	trans	-64.3	-39	175.5	-76	177.6	-16.6	0	0	111.9	R68 A69 V70 A76	R68-Q72 WeakPolarHBondContact O-CB 3.49Å; R68-Q72 VanDerWaalsContact O-CG 3.3Å; R68-Q72 WeakPolarHBondContact O-CG 3.45Å; R68-Q72 PolarHBondContact O-N 2.8Å; A69-Q72 PolarHBondContact O-N 2.83Å; V70-Q72 VanDerWaalsContact C-N 3.31Å; V70-Q72 PolarHBondContact O-N 3.28Å; Q72-A76 WeakPolarHBondContact O-CB 3.29Å; Q72-A76 PolarHBondContact O-N 3.5Å
73	R	52.3	Low	54.9	Low	161 Å²	161	92.4 Å²	92.4	61%	0.608	50%	0.504	S	S	*	.	H	α-helix	trans	-69.8	-41	175.9	-73.3	179.6	-177.1	-177.2	1.5	112.6	A69 V70 R71 A76 A77	A69-R73 WeakPolarHBondContact O-CG 3.49Å; A69-R73 PolarHBondContact O-N 2.78Å; V70-R73 CarbonylContact O-C 3.58Å; V70-R73 WeakPolarHBondContact O-CA 3.29Å; V70-R73 WeakPolarHBondContact O-CB 3.37Å; V70-R73 PolarHBondContact O-N 2.92Å; R71-R73 VanDerWaalsContact C-N 3.34Å; R73-A76 PolarHBondContact O-N 3.31Å; R73-A77 WeakPolarHBondContact O-CB 3.22Å; R73-A77 PolarHBondContact O-N 3.22Å
74	T	53.2	Low	54.2	Low	82 Å²	82	97 Å²	97	50%	0.503	53%	0.529	S	S	.	.	H	α-helix	trans	-65	-41.9	176.9	-21.6	0	0	0	0	110.8	V70 R71 A76 A77 V78	V70-T74 PolarHBondContact O-N 3.3Å; V70-T74 PolarHBondContact O-OG1 2.9Å; R71-T74 PolarHBondContact O-N 3.49Å; T74-A76 PolarHBondContact O-N 2.9Å; T74-A77 PolarHBondContact O-N 3.04Å; T74-V78 WeakPolarHBondContact O-CG2 3.42Å; T74-V78 PolarHBondContact O-N 3.02Å
75	A	47.1	Very low	52.7	Low	56 Å²	56	97.4 Å²	97.4	46%	0.463	54%	0.539	S	S	.	.	H	α-helix	trans	-60.7	-44.6	174.7	0	0	0	0	0	111.8	R71 A77 V78 D79	R71-A75 WeakPolarHBondContact O-CB 3.37Å; R71-A75 PolarHBondContact O-N 2.9Å; A75-A77 PolarHBondContact O-N 2.94Å; A75-V78 PolarHBondContact O-N 2.81Å; A75-D79 PolarHBondContact O-N 3.38Å
76	A	45.3	Very low	51.2	Low	48 Å²	48	96.1 Å²	96.1	40%	0.397	55%	0.549	S	S	.	.	H	α-helix	trans	-64.8	-37.9	176.9	0	0	0	0	0	112.9	Q72 R73 T74 D79 I80	Q72-A76 WeakPolarHBondContact O-CB 3.29Å; Q72-A76 PolarHBondContact O-N 3.5Å; R73-A76 PolarHBondContact O-N 3.31Å; T74-A76 PolarHBondContact O-N 2.9Å; A76-D79 PolarHBondContact O-N 2.92Å; A76-I80 VanDerWaalsContact O-CG1 3.25Å; A76-I80 WeakPolarHBondContact O-CG1 3.07Å; A76-I80 PolarHBondContact O-N 3.18Å
77	A	43.9	Very low	50.1	Low	59 Å²	59	95.9 Å²	95.9	49%	0.488	56%	0.561	S	S	.	*	H	α-helix	trans	-66.4	-37.6	176.1	0	0	0	0	0	112.2	R73 T74 A75 A81	R73-A77 WeakPolarHBondContact O-CB 3.22Å; R73-A77 PolarHBondContact O-N 3.22Å; T74-A77 PolarHBondContact O-N 3.04Å; A75-A77 PolarHBondContact O-N 2.94Å; A77-A81 WeakPolarHBondContact O-CB 3.18Å; A77-A81 PolarHBondContact O-N 3.05Å
78	V	49.7	Very low	48.7	Very low	95 Å²	95	99.7 Å²	99.7	58%	0.576	59%	0.589	S	S	*	*	H	α-helix	trans	-68.5	-40.3	175	174.8	0	0	0	0	111.2	T74 A75 A81 A82	T74-V78 WeakPolarHBondContact O-CG2 3.42Å; T74-V78 PolarHBondContact O-N 3.02Å; A75-V78 PolarHBondContact O-N 2.81Å; V78-A81 PolarHBondContact O-N 2.95Å; V78-A82 VanDerWaalsContact O-CB 3.31Å; V78-A82 WeakPolarHBondContact O-CB 3.4Å; V78-A82 PolarHBondContact O-N 2.93Å
79	D	49.9	Very low	47.5	Very low	106 Å²	106	96.4 Å²	96.4	57%	0.567	60%	0.598	S	S	*	*	H	α-helix	trans	-66.2	-38.5	175.6	-88.2	-22.5	0	0	0	112.3	A75 A76 A82 L83	A75-D79 PolarHBondContact O-N 3.38Å; A76-D79 PolarHBondContact O-N 2.92Å; D79-A82 PolarHBondContact O-N 3.26Å; D79-L83 WeakPolarHBondContact O-CB 3.04Å; D79-L83 WeakPolarHBondContact O-CD1 3.49Å; D79-L83 WeakPolarHBondContact O-CG 3.24Å; D79-L83 PolarHBondContact O-N 2.76Å
80	I	45.6	Very low	46.4	Very low	101 Å²	101	103.3 Å²	103.3	52%	0.518	62%	0.624	S	S	.	*	H	α-helix	trans	-68.2	-40.4	175.2	-67.4	166.9	0	0	0	110.8	A76 A82 L83 L84	A76-I80 VanDerWaalsContact O-CG1 3.25Å; A76-I80 WeakPolarHBondContact O-CG1 3.07Å; A76-I80 PolarHBondContact O-N 3.18Å; I80-A82 VanDerWaalsContact C-N 3.35Å; I80-L83 PolarHBondContact O-N 2.78Å; I80-L84 HydrophobicContact CG2-CD1 3.84Å; I80-L84 WeakPolarHBondContact O-CB 3.17Å; I80-L84 WeakPolarHBondContact O-CG 3.35Å; I80-L84 PolarHBondContact O-N 2.87Å
81	A	42.2	Very low	45	Very low	67 Å²	67	106.5 Å²	106.5	55%	0.554	65%	0.645	S	S	*	*	H	α-helix	trans	-66.4	-35.5	175	0	0	0	0	0	112.4	A77 V78 L84 G85	A77-A81 WeakPolarHBondContact O-CB 3.18Å; A77-A81 PolarHBondContact O-N 3.05Å; V78-A81 PolarHBondContact O-N 2.95Å; A81-L84 PolarHBondContact O-N 3.43Å; A81-G85 PolarHBondContact O-N 3.45Å
82	A	48.4	Very low	43.7	Very low	74 Å²	74	106.1 Å²	106.1	61%	0.612	66%	0.656	S	S	*	*	H	α-helix	trans	-70.4	-34.1	174.3	0	0	0	0	0	112.6	V78 D79 I80	V78-A82 VanDerWaalsContact O-CB 3.31Å; V78-A82 WeakPolarHBondContact O-CB 3.4Å; V78-A82 PolarHBondContact O-N 2.93Å; D79-A82 PolarHBondContact O-N 3.26Å; I80-A82 VanDerWaalsContact C-N 3.35Å
83	L	49.7	Very low	42.5	Very low	150 Å²	150	106.4 Å²	106.4	79%	0.785	67%	0.666	S	S	*	*	H	α-helix	trans	-74.3	-24.3	174.8	-82	161.3	0	0	0	113.5	D79 I80	D79-L83 WeakPolarHBondContact O-CB 3.04Å; D79-L83 WeakPolarHBondContact O-CD1 3.49Å; D79-L83 WeakPolarHBondContact O-CG 3.24Å; D79-L83 PolarHBondContact O-N 2.76Å; I80-L83 PolarHBondContact O-N 2.78Å
84	L	49.6	Very low	41.8	Very low	137 Å²	137	106.3 Å²	106.3	72%	0.717	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.5	15	177.7	-66.9	173.1	0	0	0	113.5	I80 A81 G86	I80-L84 HydrophobicContact CG2-CD1 3.84Å; I80-L84 WeakPolarHBondContact O-CB 3.17Å; I80-L84 WeakPolarHBondContact O-CG 3.35Å; I80-L84 PolarHBondContact O-N 2.87Å; A81-L84 PolarHBondContact O-N 3.43Å; L84-G86 PolarHBondContact O-N 3.02Å
85	G	35.6	Very low	40.9	Very low	70 Å²	70	107.9 Å²	107.9	72%	0.722	69%	0.688	S	S	*	*			trans	-56.3	86.1	-176	0	0	0	0	0	115.1	A81	A81-G85 PolarHBondContact O-N 3.45Å
86	G	35	Very low	40.2	Very low	68 Å²	68	108.4 Å²	108.4	70%	0.701	70%	0.699	S	S	*	*			trans	-101.9	128.7	154.3	0	0	0	0	0	109	L84	L84-G86 PolarHBondContact O-N 3.02Å
87	T	36.4	Very low	39.8	Very low	129 Å²	129	112.1 Å²	112.1	79%	0.791	72%	0.722	S	S	*	*			trans	-51.3	150.4	-175.4	40.5	0	0	0	0	114.8	A89	T87-A89 PolarHBondContact O-N 2.86Å
88	P	35.7	Very low	39.4	Very low	131 Å²	131	113.5 Å²	113.5	85%	0.851	73%	0.728	S	S	*	*			trans	-75.8	115	178.5	31.4	-30.6	0	0	0	109.7
89	A	37.9	Very low	38.8	Very low	100 Å²	100	118.6 Å²	118.6	83%	0.826	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-95.7	133.7	170.1	0	0	0	0	0	110.5	T87	T87-A89 PolarHBondContact O-N 2.86Å
90	Q	35.2	Very low	38	Very low	184 Å²	184	117.2 Å²	117.2	86%	0.86	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-62.4	159.6	-169.2	-66.5	-167.9	-18.2	0	0	115.6	L92	Q90-L92 PolarHBondContact O-N 2.91Å
91	P	33.1	Very low	37.4	Very low	122 Å²	122	116.6 Å²	116.6	79%	0.792	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-78.3	119.7	-179.6	31.4	-31	0	0	0	111.1
92	L	33.6	Very low	37	Very low	168 Å²	168	116.6 Å²	116.6	88%	0.88	78%	0.778	S	S	*	*			trans	-91.3	108.4	168.7	-91.5	161.7	0	0	0	110	Q90	Q90-L92 PolarHBondContact O-N 2.91Å
93	V	33.9	Very low	36.4	Very low	127 Å²	127	121.6 Å²	121.6	77%	0.77	79%	0.794	S	S	*	*			trans	-78.3	126.2	163.3	173.7	0	0	0	0	108.4
94	L	36.7	Very low	35.7	Very low	159 Å²	159	119.3 Å²	119.3	83%	0.832	80%	0.796	S	S	*	*			trans	-139	137	157	-84.4	171.2	0	0	0	109.9
95	P	35.2	Very low	34.9	Very low	115 Å²	115	118.1 Å²	118.1	75%	0.747	80%	0.799	S	S	*	*			trans	-94.3	149.3	-167.5	36.6	-33.1	0	0	0	113.5
96	G	32	Very low	35.3	Very low	67 Å²	67	120 Å²	120	69%	0.691	80%	0.799	S	S	*	*				69.4	123.7	122.1	0	0	0	0	0	120.7
97	S	36.4	Very low	35.2	Very low	126 Å²	126	122.1 Å²	122.1	88%	0.881	80%	0.803	S	S	*	*			trans	78	150.7	151.5	79.9	0	0	0	0	117.7
98	S	35.1	Very low	35.3	Very low	88 Å²	88	121.1 Å²	121.1	62%	0.615	80%	0.802	S	S	*	*			cis	-174.6	155.3	-29.6	-160.4	0	0	0	0	105.4
99	F	37.1	Very low	35.2	Very low	202 Å²	202	120.9 Å²	120.9	89%	0.886	80%	0.798	S	S	*	*			trans	73	120.5	163.7	-64	-75.7	0	0	0	120.9
100	G	33.4	Very low	35.2	Very low	77 Å²	77	124.3 Å²	124.3	79%	0.794	80%	0.801	S	S	*	*				126.6	102	110.8	0	0	0	0	0	117.6
101	G	33.9	Very low	35	Very low	88 Å²	88	120.6 Å²	120.6	91%	0.907	80%	0.795	S	S	*	*			trans	66.5	139.8	145.5	0	0	0	0	0	117.8
102	G	34.2	Very low	35.1	Very low	66 Å²	66	120.6 Å²	120.6	68%	0.68	80%	0.798	S	S	*	*			cis	168.3	148.9	7.9	0	0	0	0	0	107.5
103	L	34	Very low	35	Very low	180 Å²	180	117.8 Å²	117.8	94%	0.942	79%	0.793	S	S	*	*			trans	60.9	111.9	146.8	-60.9	161.9	0	0	0	119.7
104	A	36.8	Very low	35.1	Very low	101 Å²	101	119 Å²	119	84%	0.835	79%	0.794	S	S	*	*				140.7	111.2	112.6	0	0	0	0	0	113.7
105	S	32.9	Very low	35	Very low	112 Å²	112	116.8 Å²	116.8	78%	0.783	79%	0.787	S	S	*	*			trans	-77.9	-167.6	160.5	-34.4	0	0	0	0	110.4
106	P	42.8	Very low	34.8	Very low	111 Å²	111	117.6 Å²	117.6	72%	0.721	79%	0.79	S	S	*	*			cis	-140	-173.6	-15.3	30.8	-7.5	0	0	0	114.7
107	S	33.6	Very low	34.7	Very low	111 Å²	111	118.2 Å²	118.2	78%	0.776	79%	0.789	S	S	*	*			trans	84	117.2	145.6	-59.2	0	0	0	0	120.4
108	S	37.4	Very low	34.6	Very low	109 Å²	109	117.4 Å²	117.4	76%	0.762	78%	0.783	S	S	*	*				176.5	122.7	104.1	57.9	0	0	0	0	112.7
109	T	33.9	Very low	34.7	Very low	125 Å²	125	124.7 Å²	124.7	77%	0.767	80%	0.797	S	S	*	*			trans	2.5	141.5	142.9	49.7	0	0	0	0	119.7
110	L	37.5	Very low	34.3	Very low	173 Å²	173	119.9 Å²	119.9	91%	0.906	80%	0.795	S	S	*	*				-170.3	137.4	116.4	-94.4	169.3	0	0	0	112.4
111	S	32.4	Very low	34.4	Very low	105 Å²	105	120.9 Å²	120.9	73%	0.734	80%	0.796	S	S	*	*			trans	-71.5	158.9	-176.9	-41	0	0	0	0	113.9
112	S	35	Very low	34.4	Very low	122 Å²	122	123.3 Å²	123.3	85%	0.853	79%	0.793	S	S	*	*				166.2	146	112.7	46	0	0	0	0	114.1
113	S	30.8	Very low	34.6	Very low	109 Å²	109	126 Å²	126	76%	0.762	80%	0.798	S	S	*	*			trans	-68.7	164.6	-171.2	-41.2	0	0	0	0	115.7
114	L	36.4	Very low	34.4	Very low	154 Å²	154	124.8 Å²	124.8	81%	0.806	79%	0.792	S	S	*	*				168.7	107.3	122.4	-85.2	160.9	0	0	0	113
115	T	33.7	Very low	34.4	Very low	111 Å²	111	128.8 Å²	128.8	68%	0.681	80%	0.795	S	S	*	*				39.9	124.8	126.9	58.3	0	0	0	0	123.7
116	T	31.7	Very low	34.1	Very low	132 Å²	132	131 Å²	131	81%	0.81	79%	0.793	S	S	*	*				93.1	113.9	122	-60.3	0	0	0	0	121.5
117	A	30	Very low	34	Very low	81 Å²	81	132 Å²	132	67%	0.669	80%	0.8	S	S	*	*			trans	61.7	121.6	139.1	0	0	0	0	0	121.8
118	S	35.2	Very low	34.2	Very low	109 Å²	109	134.1 Å²	134.1	76%	0.762	80%	0.798	S	S	*	*				160.2	133.4	98.3	-74.6	0	0	0	0	113
119	R	35.3	Very low	33.9	Very low	240 Å²	240	135.4 Å²	135.4	91%	0.906	80%	0.795	S	S	*	*			trans	35.5	119.8	141	-73.2	179.8	163.9	176.3	-4.5	121.3
120	A	30.4	Very low	33.9	Very low	101 Å²	101	137.5 Å²	137.5	84%	0.835	80%	0.796	S	S	*	*				41.8	120.4	124.6	0	0	0	0	0	120.2
121	A	35	Very low	33.7	Very low	99 Å²	99	138.6 Å²	138.6	82%	0.818	79%	0.788	S	S	*	*				177.2	132.9	122.9	0	0	0	0	0	111
122	V	34	Very low	33.7	Very low	139 Å²	139	140.5 Å²	140.5	84%	0.842	79%	0.786	S	S	*	*			trans	-78.6	148.2	164.2	-177	0	0	0	0	108.5
123	P	37.5	Very low	33.7	Very low	121 Å²	121	141.2 Å²	141.2	79%	0.786	79%	0.785	S	S	*	*			trans	-123.7	129.2	144.7	9.5	11.6	0	0	0	112.6
124	L	29.3	Very low	34	Very low	156 Å²	156	140.9 Å²	140.9	82%	0.817	78%	0.78	S	S	*	*			trans	-68.9	132.6	163.5	-176	81.9	0	0	0	109.9
125	M	36.9	Very low	33.9	Very low	184 Å²	184	140.6 Å²	140.6	91%	0.906	78%	0.778	S	S	*	*			trans	-142.9	120.9	153.5	-72.4	-153	98	0	0	110.7
126	Q	28.2	Very low	33.9	Very low	158 Å²	158	140.5 Å²	140.5	74%	0.738	78%	0.778	S	S	*	*			trans	-82.4	161.4	153.8	-71.3	177.3	-9.9	0	0	108.7
127	P	40.5	Very low	34.1	Very low	132 Å²	132	140.4 Å²	140.4	86%	0.857	78%	0.777	S	S	*	*				-142.3	165.5	104.8	29.4	-10.7	0	0	0	116.3
128	Q	36.6	Very low	34.4	Very low	157 Å²	157	142.1 Å²	142.1	73%	0.734	78%	0.784	S	S	*	*			trans	-61.2	148.3	-176.6	-63.7	-147.5	-51.3	0	0	117.7
129	L	31.4	Very low	34.1	Very low	136 Å²	136	142.4 Å²	142.4	71%	0.712	79%	0.786	S	S	*	*				31.5	127.1	129.2	-59.4	173.7	0	0	0	119.2
130	Q	33.5	Very low	34.3	Very low	168 Å²	168	137.1 Å²	137.1	79%	0.785	78%	0.783	S	S	*	*				163.1	129.9	90.5	-120.2	155.7	-9.2	0	0	112.4
131	R	33.2	Very low	34.4	Very low	197 Å²	197	141.2 Å²	141.2	74%	0.743	79%	0.785	S	S	*	*				97.2	124.4	125	-157.2	170.2	-171.8	160.7	4.6	122
132	Q	33.9	Very low	34.4	Very low	145 Å²	145	143.4 Å²	143.4	68%	0.678	79%	0.788	S	S	*	*			trans	80.6	115.9	149.2	-79.8	162.5	-25.8	0	0	119.4
133	V	35.2	Very low	34.3	Very low	137 Å²	137	145.1 Å²	145.1	83%	0.83	79%	0.787	S	S	*	*			cis	92	142.6	48.8	173.5	0	0	0	0	111.6
134	P	37.2	Very low	34.2	Very low	102 Å²	102	145.4 Å²	145.4	66%	0.662	79%	0.789	S	S	*	*				-132.3	-162.1	-92.9	29.1	-0.6	0	0	0	112.4
135	L	33.1	Very low	34.6	Very low	147 Å²	147	147.7 Å²	147.7	77%	0.77	79%	0.793	S	S	*	*			trans	133.6	137.9	137.2	-80.8	148.7	0	0	0	117.9
136	T	34.5	Very low	34.2	Very low	110 Å²	110	142.5 Å²	142.5	68%	0.675	79%	0.786	S	S	*	*			trans	104.7	113.1	140.3	62	0	0	0	0	122.2
137	T	34.7	Very low	34.5	Very low	130 Å²	130	142.9 Å²	142.9	80%	0.798	79%	0.792	S	S	*	*			trans	69.4	134.7	130.2	59.4	0	0	0	0	119.1
138	S	37.3	Very low	34	Very low	117 Å²	117	142.7 Å²	142.7	82%	0.818	79%	0.794	S	S	*	*			cis	-168.7	155	42.9	43.1	0	0	0	0	111.8
139	S	28.7	Very low	33.9	Very low	115 Å²	115	141.5 Å²	141.5	80%	0.804	80%	0.798	S	S	*	*			trans	-97.1	169.8	173.3	-48.1	0	0	0	0	111.6
140	P	40.2	Very low	33.9	Very low	129 Å²	129	139.1 Å²	139.1	84%	0.838	80%	0.798	S	S	*	*				-138	152	120.4	32.1	-16.7	0	0	0	115.2
141	Q	32.2	Very low	34.1	Very low	187 Å²	187	137.1 Å²	137.1	87%	0.874	80%	0.799	S	S	*	*			trans	-71.1	146.8	178.6	-68.9	165	-37.2	0	0	113.1
142	T	34.4	Very low	34.1	Very low	145 Å²	145	135.3 Å²	135.3	89%	0.89	80%	0.804	S	S	*	*			trans	-151	146.2	140.8	-23.5	0	0	0	0	110.1
143	Q	33.1	Very low	34.3	Very low	174 Å²	174	134.2 Å²	134.2	81%	0.813	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-69.7	153	-152.1	-57.2	-179.7	-17.7	0	0	116.6
144	P	34.6	Very low	34.5	Very low	127 Å²	127	133 Å²	133	83%	0.825	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-94.4	131.6	165	34.3	-25.4	0	0	0	111.6
145	F	36.6	Very low	34.7	Very low	205 Å²	205	130.9 Å²	130.9	90%	0.899	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-71.8	127.7	159.4	-95.7	-95.3	0	0	0	109.1
146	G	28.7	Very low	35.4	Very low	74 Å²	74	126.9 Å²	126.9	76%	0.763	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-75.8	123.8	173.4	0	0	0	0	0	111.7
147	L	35.5	Very low	36.3	Very low	167 Å²	167	126.7 Å²	126.7	87%	0.874	76%	0.763	S	S	*	*			trans	-124	119.1	153.2	-79.4	168.3	0	0	0	106.6	T149	L147-T149 PolarHBondContact O-N 3.38Å
148	S	29.3	Very low	37.5	Very low	128 Å²	128	124.4 Å²	124.4	90%	0.895	75%	0.753	S	S	*	*			trans	-75.4	104.1	-180	-174.2	0	0	0	0	109.3
149	T	34.6	Very low	39	Very low	131 Å²	131	121.4 Å²	121.4	80%	0.804	73%	0.731	S	S	*	*			trans	-107.4	120.5	167	0.4	0	0	0	0	108.5	L147	L147-T149 PolarHBondContact O-N 3.38Å
150	A	32	Very low	41	Very low	86 Å²	86	119.5 Å²	119.5	71%	0.711	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-60	144.6	178.8	0	0	0	0	0	111.4	L152	A150-L152 PolarHBondContact O-N 3.35Å
151	P	36.9	Very low	42.3	Very low	126 Å²	126	116.9 Å²	116.9	82%	0.818	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-67.1	130.1	175	-10.5	25.3	0	0	0	110.2
152	L	34.5	Very low	44.5	Very low	160 Å²	160	114.3 Å²	114.3	84%	0.838	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-62.7	143.2	166.9	-75.9	160	0	0	0	109.6	A150 Q154	A150-L152 PolarHBondContact O-N 3.35Å; L152-Q154 PolarHBondContact O-N 3.19Å
153	P	37.8	Very low	46.4	Very low	122 Å²	122	108.5 Å²	108.5	79%	0.792	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-67	126.8	-178.8	-4.3	18.2	0	0	0	110.2
154	Q	38.3	Very low	48.4	Very low	111 Å²	111	103.4 Å²	103.4	52%	0.519	62%	0.616	S	S	.	*	P	Polyproline II helix	trans	-71	137.6	166.3	-72.4	-166.9	-41.2	0	0	109.6	L152 P210	L152-Q154 PolarHBondContact O-N 3.19Å; Q154-P210 PolarHBondContact NE2-O 3.38Å
155	P	41.3	Very low	50.3	Low	58 Å²	58	101.5 Å²	101.5	38%	0.377	60%	0.596	S	S	.	*	P	Polyproline II helix	trans	-62.7	138.1	174.5	23.4	-28.6	0	0	0	110.2	I206	P155-I206 HydrophobicContact CG-CG1 3.99Å
156	S	47.6	Very low	52.2	Low	63 Å²	63	94.5 Å²	94.5	44%	0.441	57%	0.566	S	S	.	*	P	Polyproline II helix	trans	-70	150.6	177.5	71.3	0	0	0	0	110.9	S158 S159 E160	S156-S158 PolarHBondContact O-N 2.97Å; S156-S159 WeakPolarHBondContact O-CA 3.43Å; S156-S159 WeakPolarHBondContact O-CB 3.42Å; S156-S159 PolarHBondContact O-N 3.46Å; S156-S159 PolarHBondContact OG-OG 2.93Å; S156-E160 PolarHBondContact O-N 2.92Å
157	V	54.5	Low	54.3	Low	105 Å²	105	92 Å²	92	64%	0.636	54%	0.535	S	S	*	.	H	α-helix	trans	-49.9	-27.8	172.4	-77.9	0	0	0	0	113.4	L161	V157-L161 VanDerWaalsContact O-CG 3.29Å; V157-L161 WeakPolarHBondContact O-CG 3.36Å; V157-L161 PolarHBondContact O-N 3.25Å; V157-L161 VanDerWaalsContact O-N 3.12Å
158	S	59.5	Low	56.3	Low	83 Å²	83	87.7 Å²	87.7	58%	0.58	51%	0.511	S	S	*	.	H	α-helix	trans	-67.2	-36	174.7	-58.4	0	0	0	0	112.9	S156 F162	S156-S158 PolarHBondContact O-N 2.97Å; S158-F162 WeakPolarHBondContact O-CB 3.18Å; S158-F162 PolarHBondContact O-N 3.11Å
159	S	69.2	Low	58.4	Low	53 Å²	53	85.5 Å²	85.5	37%	0.371	49%	0.485	S	S	.	.	H	α-helix	trans	-69.9	-42.2	176.3	-62.1	0	0	0	0	111.4	S156 L161 F162 I163	S156-S159 WeakPolarHBondContact O-CA 3.43Å; S156-S159 WeakPolarHBondContact O-CB 3.42Å; S156-S159 PolarHBondContact O-N 3.46Å; S156-S159 PolarHBondContact OG-OG 2.93Å; S159-L161 PolarHBondContact O-N 2.93Å; S159-F162 PolarHBondContact O-N 3Å; S159-I163 VanDerWaalsContact O-CG1 3.28Å; S159-I163 WeakPolarHBondContact O-CG1 3.48Å; S159-I163 PolarHBondContact O-N 2.76Å
160	E	69.4	Low	60.2	Low	76 Å²	76	81.7 Å²	81.7	36%	0.355	46%	0.458	S	S	.	.	H	α-helix	trans	-61	-45.1	176.4	-62.8	179.3	166.8	0	0	111.5	S156 I163 L164 I206	S156-E160 PolarHBondContact O-N 2.92Å; E160-I163 PolarHBondContact O-N 3.45Å; E160-L164 WeakPolarHBondContact O-CG 3.49Å; E160-L164 PolarHBondContact O-N 3.1Å; E160-I206 HydrophobicContact CG-CG2 4.14Å; E160-I206 WeakPolarHBondContact OE1-CG2 3.3Å
161	L	69.1	Low	62.2	Low	73 Å²	73	79.3 Å²	79.3	38%	0.382	43%	0.433	S	S	.	.	H	α-helix	trans	-64.8	-40.2	178	-71.8	175.1	0	0	0	112.4	L67 V157 S159 L164 Q165	L67-L161 HydrophobicContact CD1-CD2 4.34Å; V157-L161 VanDerWaalsContact O-CG 3.29Å; V157-L161 WeakPolarHBondContact O-CG 3.36Å; V157-L161 PolarHBondContact O-N 3.25Å; V157-L161 VanDerWaalsContact O-N 3.12Å; S159-L161 PolarHBondContact O-N 2.93Å; L161-L164 PolarHBondContact O-N 3.07Å; L161-Q165 WeakPolarHBondContact O-CB 3.21Å; L161-Q165 WeakPolarHBondContact O-CG 3.37Å; L161-Q165 PolarHBondContact O-N 3.39Å
162	F	77.1	Confident	63.8	Low	133 Å²	133	76.2 Å²	76.2	58%	0.583	41%	0.409	S	S	*	.	H	α-helix	trans	-62	-44.8	176.3	-178.2	-97.8	0	0	0	111.4	S158 S159 L164 Q165 E166	S158-F162 WeakPolarHBondContact O-CB 3.18Å; S158-F162 PolarHBondContact O-N 3.11Å; S159-F162 PolarHBondContact O-N 3Å; F162-L164 VanDerWaalsContact C-N 3.35Å; F162-L164 PolarHBondContact O-N 2.94Å; F162-Q165 PolarHBondContact O-N 3.24Å; F162-E166 WeakPolarHBondContact O-CB 3.43Å; F162-E166 PolarHBondContact O-N 3.01Å
163	I	75.1	Confident	65.1	Low	24 Å²	24	73.3 Å²	73.3	12%	0.123	40%	0.395	C	S	.	.	H	α-helix	trans	-61.7	-43.3	176.5	-66.6	164.2	0	0	0	110.8	S159 E160 E166 L167 L203 I206	S159-I163 VanDerWaalsContact O-CG1 3.28Å; S159-I163 WeakPolarHBondContact O-CG1 3.48Å; S159-I163 PolarHBondContact O-N 2.76Å; E160-I163 PolarHBondContact O-N 3.45Å; I163-E166 PolarHBondContact O-N 3.21Å; I163-L167 HydrophobicContact CG2-CD1 3.82Å; I163-L167 HydrophobicContact CG2-CG 4.38Å; I163-L167 WeakPolarHBondContact O-CB 3.33Å; I163-L167 VanDerWaalsContact O-CG 3.23Å; I163-L167 WeakPolarHBondContact O-CG 3.33Å; I163-L167 PolarHBondContact O-N 3.15Å; I163-L203 HydrophobicContact CG2-CD2 3.88Å; I163-L203 HydrophobicContact CG2-CG 4.41Å; I163-I206 HydrophobicContact CD1-CD1 3.69Å
164	L	75.8	Confident	66	Low	67 Å²	67	69 Å²	69	35%	0.351	37%	0.365	S	S	.	.	H	α-helix	trans	-65.7	-38.4	178.3	-70.9	174.4	0	0	0	112.8	E160 L161 F162 L167 E168	E160-L164 WeakPolarHBondContact O-CG 3.49Å; E160-L164 PolarHBondContact O-N 3.1Å; L161-L164 PolarHBondContact O-N 3.07Å; F162-L164 VanDerWaalsContact C-N 3.35Å; F162-L164 PolarHBondContact O-N 2.94Å; L164-L167 PolarHBondContact O-N 3.36Å; L164-E168 VanDerWaalsContact O-CB 3.31Å; L164-E168 WeakPolarHBondContact O-CB 3.44Å; L164-E168 PolarHBondContact O-N 2.99Å
165	Q	73.4	Confident	66.6	Low	86 Å²	86	68.9 Å²	68.9	40%	0.402	37%	0.368	S	S	.	.	H	α-helix	trans	-66.9	-41.1	175.5	-76.8	178.8	-4.5	0	0	111.6	Q63 L161 F162 E168 K169	Q63-Q165 VanDerWaalsContact NE2-NE2 3.17Å; Q63-Q165 VanDerWaalsContact OE1-NE2 3.16Å; L161-Q165 WeakPolarHBondContact O-CB 3.21Å; L161-Q165 WeakPolarHBondContact O-CG 3.37Å; L161-Q165 PolarHBondContact O-N 3.39Å; F162-Q165 PolarHBondContact O-N 3.24Å; Q165-E168 PolarHBondContact O-N 2.83Å; Q165-K169 WeakPolarHBondContact O-CB 3.26Å; Q165-K169 PolarHBondContact O-N 3.31Å
166	E	76.6	Confident	66.7	Low	58 Å²	58	71.7 Å²	71.7	27%	0.271	38%	0.38	S	S	.	.	H	α-helix	trans	-65.9	-41.3	176.3	-174.7	56.5	-151	0	0	111.2	F162 I163 K169 Q170	F162-E166 WeakPolarHBondContact O-CB 3.43Å; F162-E166 PolarHBondContact O-N 3.01Å; I163-E166 PolarHBondContact O-N 3.21Å; E166-K169 PolarHBondContact O-N 2.95Å; E166-K169 VanDerWaalsContact OE1-CE 3.26Å; E166-K169 WeakPolarHBondContact OE1-CE 3.24Å; E166-K169 IonicContact OE1-NZ 2.76Å; E166-K169 PolarHBondContact OE1-NZ 3.2Å; E166-K169 WeakPolarHBondContact OE2-CE 3.39Å; E166-K169 IonicContact OE2-NZ 3.94Å; E166-K169 PolarHBondContact OE2-NZ 3.46Å; E166-Q170 WeakPolarHBondContact O-CB 3.4Å; E166-Q170 VanDerWaalsContact O-CG 3.24Å; E166-Q170 WeakPolarHBondContact O-CG 3.39Å; E166-Q170 PolarHBondContact O-N 2.89Å; E166-Q170 PolarHBondContact OE1-NE2 3.12Å; E166-Q170 VanDerWaalsContact OE1-NE2 3.12Å
167	L	73.9	Confident	66.4	Low	22 Å²	22	76.4 Å²	76.4	12%	0.115	40%	0.4	C	S	.	.	H	α-helix	trans	-63.9	-41.1	172.5	-73.8	167.3	0	0	0	112.3	I163 L164 Q170 L171 W196 T199 L203	I163-L167 HydrophobicContact CG2-CD1 3.82Å; I163-L167 HydrophobicContact CG2-CG 4.38Å; I163-L167 WeakPolarHBondContact O-CB 3.33Å; I163-L167 VanDerWaalsContact O-CG 3.23Å; I163-L167 WeakPolarHBondContact O-CG 3.33Å; I163-L167 PolarHBondContact O-N 3.15Å; L164-L167 PolarHBondContact O-N 3.36Å; L167-Q170 PolarHBondContact O-N 2.86Å; L167-L171 VanDerWaalsContact O-CB 3.23Å; L167-L171 WeakPolarHBondContact O-CB 3.45Å; L167-L171 WeakPolarHBondContact O-CG 3.46Å; L167-L171 PolarHBondContact O-N 3.45Å; L167-W196 HydrophobicContact CD2-CZ3 4.48Å; L167-T199 HydrophobicContact CD1-CG2 4.48Å; L167-T199 HydrophobicContact CD2-CG2 3.7Å; L167-T199 HydrophobicContact CG-CG2 4.23Å; L167-L203 HydrophobicContact CD1-CD1 3.81Å; L167-L203 HydrophobicContact CD1-CD2 4.12Å; L167-L203 HydrophobicContact CD1-CG 4.39Å
168	E	75.8	Confident	65.8	Low	77 Å²	77	78.9 Å²	78.9	36%	0.36	41%	0.41	S	S	.	.	H	α-helix	trans	-60	-47.9	175.4	179.7	171.4	-148.8	0	0	110.4	L164 Q165 L171 L172	L164-E168 VanDerWaalsContact O-CB 3.31Å; L164-E168 WeakPolarHBondContact O-CB 3.44Å; L164-E168 PolarHBondContact O-N 2.99Å; Q165-E168 PolarHBondContact O-N 2.83Å; E168-L171 PolarHBondContact O-N 3.48Å; E168-L172 HydrophobicContact CG-CD1 3.57Å; E168-L172 HydrophobicContact CG-CG 4.17Å; E168-L172 VanDerWaalsContact O-CB 3.29Å; E168-L172 WeakPolarHBondContact O-CB 3.45Å; E168-L172 VanDerWaalsContact O-CG 3.3Å; E168-L172 WeakPolarHBondContact O-CG 3.46Å; E168-L172 PolarHBondContact O-N 2.92Å
169	K	74.6	Confident	64.5	Low	82 Å²	82	82.5 Å²	82.5	36%	0.357	42%	0.417	S	S	.	.	H	α-helix	trans	-56.9	-53.5	174.3	-168.6	-166.7	76.8	-167.2	0	110.8	Q165 E166 L171 L172 D173	Q165-K169 WeakPolarHBondContact O-CB 3.26Å; Q165-K169 PolarHBondContact O-N 3.31Å; E166-K169 PolarHBondContact O-N 2.95Å; E166-K169 VanDerWaalsContact OE1-CE 3.26Å; E166-K169 WeakPolarHBondContact OE1-CE 3.24Å; E166-K169 IonicContact OE1-NZ 2.76Å; E166-K169 PolarHBondContact OE1-NZ 3.2Å; E166-K169 WeakPolarHBondContact OE2-CE 3.39Å; E166-K169 IonicContact OE2-NZ 3.94Å; E166-K169 PolarHBondContact OE2-NZ 3.46Å; K169-L171 PolarHBondContact O-N 2.87Å; K169-L171 VanDerWaalsContact O-N 3.12Å; K169-L172 PolarHBondContact O-N 3.32Å; K169-D173 HydrophobicContact CG-CB 4.44Å; K169-D173 CarbonylContact O-C 3.6Å; K169-D173 WeakPolarHBondContact O-CA 3.32Å; K169-D173 WeakPolarHBondContact O-CB 3.46Å; K169-D173 PolarHBondContact O-N 3.47Å
170	Q	71.5	Confident	62.8	Low	51 Å²	51	85.7 Å²	85.7	24%	0.238	44%	0.437	C	S	.	.	H	α-helix	trans	-62.3	-22.6	180	-72.2	176.9	11.2	0	0	114.5	E166 L167 R565	E166-Q170 WeakPolarHBondContact O-CB 3.4Å; E166-Q170 VanDerWaalsContact O-CG 3.24Å; E166-Q170 WeakPolarHBondContact O-CG 3.39Å; E166-Q170 PolarHBondContact O-N 2.89Å; E166-Q170 PolarHBondContact OE1-NE2 3.12Å; E166-Q170 VanDerWaalsContact OE1-NE2 3.12Å; L167-Q170 PolarHBondContact O-N 2.86Å; Q170-R565 PolarHBondContact O-NH2 3.29Å
171	L	73.5	Confident	61.3	Low	35 Å²	35	87.6 Å²	87.6	18%	0.183	45%	0.454	C	S	.	.	H	α-helix	trans	-95.3	-27.4	179.7	-71	176.3	0	0	0	113.3	L167 E168 K169 W196 V560 G562 K563 A566	L167-L171 VanDerWaalsContact O-CB 3.23Å; L167-L171 WeakPolarHBondContact O-CB 3.45Å; L167-L171 WeakPolarHBondContact O-CG 3.46Å; L167-L171 PolarHBondContact O-N 3.45Å; E168-L171 PolarHBondContact O-N 3.48Å; K169-L171 PolarHBondContact O-N 2.87Å; K169-L171 VanDerWaalsContact O-N 3.12Å; L171-W196 HydrophobicContact CD2-CH2 4.1Å; L171-V560 WeakPolarHBondContact O-CG2 3.37Å; L171-G562 WeakPolarHBondContact CD2-O 3.32Å; L171-K563 HydrophobicContact CB-CG 4.22Å; L171-K563 HydrophobicContact CD2-CG 4.24Å; L171-A566 HydrophobicContact CD2-CB 3.74Å
172	L	71.5	Confident	59.7	Low	62 Å²	62	88.9 Å²	88.9	33%	0.325	47%	0.474	S	S	.	.	H	α-helix	trans	-101.2	-36.1	-176.7	-63.9	-174.2	0	0	0	112.9	E168 K169 V560	E168-L172 HydrophobicContact CG-CD1 3.57Å; E168-L172 HydrophobicContact CG-CG 4.17Å; E168-L172 VanDerWaalsContact O-CB 3.29Å; E168-L172 WeakPolarHBondContact O-CB 3.45Å; E168-L172 VanDerWaalsContact O-CG 3.3Å; E168-L172 WeakPolarHBondContact O-CG 3.46Å; E168-L172 PolarHBondContact O-N 2.92Å; K169-L172 PolarHBondContact O-N 3.32Å; L172-V560 HydrophobicContact CD2-CG2 3.98Å
173	D	62.2	Low	57.6	Low	99 Å²	99	87.5 Å²	87.5	53%	0.529	49%	0.488	S	S	.	.			trans	-112.7	107	-179.2	-59.2	-36.2	0	0	0	108.3	K169	K169-D173 HydrophobicContact CG-CB 4.44Å; K169-D173 CarbonylContact O-C 3.6Å; K169-D173 WeakPolarHBondContact O-CA 3.32Å; K169-D173 WeakPolarHBondContact O-CB 3.46Å; K169-D173 PolarHBondContact O-N 3.47Å
174	D	56.5	Low	55.7	Low	30 Å²	30	95 Å²	95	16%	0.16	53%	0.525	C	S	.	.			trans	-84.4	-0.4	168.1	-80	-30.5	0	0	0	111.8	D176 F561 R565 R608	D174-D176 PolarHBondContact O-N 2.92Å; D174-F561 WeakPolarHBondContact OD2-CD1 3.28Å; D174-R565 IonicContact OD1-CZ 3.08Å; D174-R565 IonicContact OD1-NE 2.68Å; D174-R565 IonicContact OD1-NH2 2.75Å; D174-R565 PolarHBondContact OD1-NH2 3.34Å; D174-R608 IonicContact OD2-CZ 3.52Å; D174-R608 IonicContact OD2-NH2 3.64Å; D174-R608 PolarHBondContact OD2-NH2 3.44Å
175	D	50.1	Low	53.7	Low	110 Å²	110	98 Å²	98	59%	0.588	55%	0.551	S	S	*	*			trans	-86.6	86.4	-179.9	-68.4	-28.6	0	0	0	109.6	D177	D175-D177 PolarHBondContact O-N 3.37Å
176	D	45	Very low	51.7	Low	117 Å²	117	96.7 Å²	96.7	63%	0.626	56%	0.561	S	S	*	*			trans	-77	105	155.3	-75	-49.3	0	0	0	107.1	D174 D178	D174-D176 PolarHBondContact O-N 2.92Å; D176-D178 PolarHBondContact O-N 3.22Å
177	D	41.1	Very low	49.8	Very low	161 Å²	161	100.8 Å²	100.8	86%	0.861	59%	0.59	S	S	*	*			trans	-60.1	96.2	173.8	-77.4	-54.2	0	0	0	110.6	D175 E179	D175-D177 PolarHBondContact O-N 3.37Å; D177-E179 PolarHBondContact O-N 3.4Å
178	D	40.2	Very low	47.6	Very low	157 Å²	157	103.6 Å²	103.6	84%	0.84	62%	0.624	S	S	*	*			trans	-75.4	104	165.9	-85.7	-45.4	0	0	0	110.2	D176	D176-D178 PolarHBondContact O-N 3.22Å
179	E	33.4	Very low	45.6	Very low	159 Å²	159	105 Å²	105	74%	0.743	64%	0.643	S	S	*	*			trans	-50.1	128.4	163.6	-104.5	-89.3	157.5	0	0	111.4	D177 V181	D177-E179 PolarHBondContact O-N 3.4Å; E179-V181 PolarHBondContact O-N 3.37Å
180	P	33.6	Very low	43.8	Very low	121 Å²	121	104.5 Å²	104.5	79%	0.786	65%	0.654	S	S	*	*			trans	-90.1	92.4	-178.5	34.5	-30.9	0	0	0	110.8
181	V	37.9	Very low	42.5	Very low	116 Å²	116	105.7 Å²	105.7	70%	0.703	66%	0.664	S	S	*	*			trans	-138.1	105.7	167.4	-75.9	0	0	0	0	114.3	E179	E179-V181 PolarHBondContact O-N 3.37Å
182	A	34.8	Very low	41	Very low	99 Å²	99	107.3 Å²	107.3	82%	0.818	68%	0.676	S	S	*	*			trans	55.9	109.9	143.4	0	0	0	0	0	119.6	M184	A182-M184 PolarHBondContact O-N 2.76Å
183	A	32.3	Very low	40.1	Very low	105 Å²	105	108.1 Å²	108.1	87%	0.868	68%	0.68	S	S	*	*			trans	-10.7	103.4	154	0	0	0	0	0	116.8
184	M	36.3	Very low	39.9	Very low	182 Å²	182	106.4 Å²	106.4	90%	0.897	68%	0.676	S	S	*	*			trans	-154.4	137.9	142.8	-105.2	-63	-138	0	0	108.9	A182	A182-M184 PolarHBondContact O-N 2.76Å
185	S	33.8	Very low	40.2	Very low	128 Å²	128	109 Å²	109	90%	0.895	69%	0.687	S	S	*	*			trans	-54.8	135.1	-174.9	-164	0	0	0	0	113.7
186	G	30.6	Very low	40.6	Very low	59 Å²	59	106.1 Å²	106.1	61%	0.608	67%	0.668	S	S	*	*			trans	136.8	113.4	161.5	0	0	0	0	0	114.4
187	T	37.2	Very low	41.4	Very low	144 Å²	144	105.6 Å²	105.6	88%	0.883	66%	0.662	S	S	*	*			trans	64.4	91.9	164.6	64.3	0	0	0	0	117.2	S189	T187-S189 PolarHBondContact O-N 2.75Å
188	G	28.3	Very low	42.8	Very low	82 Å²	82	103.4 Å²	103.4	85%	0.845	65%	0.647	S	S	*	*			trans	-69.3	118.2	157.5	0	0	0	0	0	109.3	A190	G188-A190 VanDerWaalsContact C-N 3.33Å; G188-A190 PolarHBondContact O-N 2.94Å
189	S	33.2	Very low	43.9	Very low	107 Å²	107	97.1 Å²	97.1	75%	0.748	61%	0.614	S	S	*	*			trans	-76.1	86.9	172.8	-167	0	0	0	0	108.5	T187	T187-S189 PolarHBondContact O-N 2.75Å
190	A	36.8	Very low	45.5	Very low	70 Å²	70	93.1 Å²	93.1	58%	0.579	60%	0.597	S	S	*	*			trans	-76.9	125.9	156.8	0	0	0	0	0	106.4	G188 T192	G188-A190 VanDerWaalsContact C-N 3.33Å; G188-A190 PolarHBondContact O-N 2.94Å; A190-T192 VanDerWaalsContact C-N 3.25Å; A190-T192 VanDerWaalsContact O-CG2 3.31Å; A190-T192 WeakPolarHBondContact O-CG2 3.43Å; A190-T192 PolarHBondContact O-N 3.26Å
191	V	44.4	Very low	47.1	Very low	76 Å²	76	93.2 Å²	93.2	46%	0.461	59%	0.587	S	S	.	*			trans	-56.2	98.6	165.1	171.4	0	0	0	0	106.5	E195	V191-E195 WeakPolarHBondContact CA-OE2 3.37Å; V191-E195 HydrophobicContact CG1-CB 4.38Å; V191-E195 WeakPolarHBondContact CG1-OE2 3.45Å; V191-E195 WeakPolarHBondContact CG2-OE2 3.41Å
192	T	42.7	Very low	48.6	Very low	69 Å²	69	92.1 Å²	92.1	42%	0.423	57%	0.574	S	S	.	*			trans	-74.5	154.9	-179	59.7	0	0	0	0	108	A190 S194 E195	A190-T192 VanDerWaalsContact C-N 3.25Å; A190-T192 VanDerWaalsContact O-CG2 3.31Å; A190-T192 WeakPolarHBondContact O-CG2 3.43Å; A190-T192 PolarHBondContact O-N 3.26Å; T192-S194 PolarHBondContact O-N 3.48Å; T192-S194 VanDerWaalsContact OG1-CB 3.27Å; T192-S194 WeakPolarHBondContact OG1-CB 3.36Å; T192-S194 PolarHBondContact OG1-OG 2.97Å; T192-E195 PolarHBondContact O-N 3.02Å
193	N	50.9	Low	50.1	Low	80 Å²	80	90.4 Å²	90.4	43%	0.428	55%	0.551	S	S	.	*	H	α-helix	trans	-47.8	-22.7	169.1	-75.4	-6.6	0	0	0	112.6	W196 E197	N193-W196 PolarHBondContact O-N 3.15Å; N193-E197 VanDerWaalsContact O-CB 3.29Å; N193-E197 WeakPolarHBondContact O-CB 3.35Å; N193-E197 VanDerWaalsContact O-CG 3.22Å; N193-E197 WeakPolarHBondContact O-CG 3.37Å; N193-E197 PolarHBondContact O-N 3.24Å
194	S	58.3	Low	51.7	Low	62 Å²	62	88.7 Å²	88.7	43%	0.434	53%	0.533	S	S	.	.	H	α-helix	trans	-62.3	-40.9	177.5	-46.1	0	0	0	0	113.4	T192 E197 E198	T192-S194 PolarHBondContact O-N 3.48Å; T192-S194 VanDerWaalsContact OG1-CB 3.27Å; T192-S194 WeakPolarHBondContact OG1-CB 3.36Å; T192-S194 PolarHBondContact OG1-OG 2.97Å; S194-E197 PolarHBondContact O-N 3.41Å; S194-E198 WeakPolarHBondContact O-CB 3.4Å; S194-E198 WeakPolarHBondContact O-CG 3.33Å; S194-E198 PolarHBondContact O-N 3.11Å
195	E	63.6	Low	53.1	Low	86 Å²	86	83.8 Å²	83.8	40%	0.402	52%	0.516	S	S	.	.	H	α-helix	trans	-70.6	-36.9	-179.4	-67	178.4	164.5	0	0	111.4	V191 T192 T199	V191-E195 WeakPolarHBondContact CA-OE2 3.37Å; V191-E195 HydrophobicContact CG1-CB 4.38Å; V191-E195 WeakPolarHBondContact CG1-OE2 3.45Å; V191-E195 WeakPolarHBondContact CG2-OE2 3.41Å; T192-E195 PolarHBondContact O-N 3.02Å; E195-T199 WeakPolarHBondContact O-CB 3.33Å; E195-T199 PolarHBondContact O-N 2.93Å; E195-T199 PolarHBondContact O-OG1 3.21Å
196	W	59.1	Low	54.2	Low	49 Å²	49	79.3 Å²	79.3	19%	0.186	48%	0.481	C	S	.	.	H	α-helix	trans	-67.6	-43.8	171.3	-90.9	92.4	0	0	0	112	L167 L171 N193 E198 T199 I200 A566	L167-W196 HydrophobicContact CD2-CZ3 4.48Å; L171-W196 HydrophobicContact CD2-CH2 4.1Å; N193-W196 PolarHBondContact O-N 3.15Å; W196-E198 VanDerWaalsContact C-N 3.32Å; W196-E198 PolarHBondContact O-N 3.38Å; W196-T199 PolarHBondContact O-N 2.95Å; W196-I200 HydrophobicContact CE3-CD1 4.44Å; W196-I200 WeakPolarHBondContact O-CB 3.34Å; W196-I200 WeakPolarHBondContact O-CG1 3.41Å; W196-I200 PolarHBondContact O-N 3.42Å; W196-A566 HydrophobicContact CH2-CB 3.87Å; W196-A566 HydrophobicContact CZ3-CB 4.21Å
197	E	61.5	Low	55.1	Low	105 Å²	105	80.7 Å²	80.7	49%	0.491	49%	0.488	S	S	.	.	H	α-helix	trans	-61.1	-40	175.1	-79.2	172	-165.5	0	0	111.5	N193 S194 Q201	N193-E197 VanDerWaalsContact O-CB 3.29Å; N193-E197 WeakPolarHBondContact O-CB 3.35Å; N193-E197 VanDerWaalsContact O-CG 3.22Å; N193-E197 WeakPolarHBondContact O-CG 3.37Å; N193-E197 PolarHBondContact O-N 3.24Å; S194-E197 PolarHBondContact O-N 3.41Å; E197-Q201 WeakPolarHBondContact O-CB 3.44Å; E197-Q201 WeakPolarHBondContact O-CG 3.34Å; E197-Q201 PolarHBondContact O-N 3.33Å; E197-Q201 PolarHBondContact O-NE2 2.67Å
198	E	69.1	Low	55.9	Low	116 Å²	116	77.7 Å²	77.7	54%	0.542	48%	0.477	S	S	.	.	H	α-helix	trans	-64.8	-46	174.6	-79.9	-177.7	-171.1	0	0	111.7	S194 W196 I200 Q201 Q202	S194-E198 WeakPolarHBondContact O-CB 3.4Å; S194-E198 WeakPolarHBondContact O-CG 3.33Å; S194-E198 PolarHBondContact O-N 3.11Å; W196-E198 VanDerWaalsContact C-N 3.32Å; W196-E198 PolarHBondContact O-N 3.38Å; E198-I200 VanDerWaalsContact C-N 3.34Å; E198-I200 PolarHBondContact O-N 2.69Å; E198-Q201 PolarHBondContact O-N 2.78Å; E198-Q202 WeakPolarHBondContact O-CG 3.42Å; E198-Q202 PolarHBondContact O-N 2.93Å
199	T	64.9	Low	56.5	Low	25 Å²	25	75.6 Å²	75.6	15%	0.153	45%	0.452	C	S	.	.	H	α-helix	trans	-63.6	-41.8	178.3	-53.6	0	0	0	0	111.1	L167 E195 W196 Q202 L203	L167-T199 HydrophobicContact CD1-CG2 4.48Å; L167-T199 HydrophobicContact CD2-CG2 3.7Å; L167-T199 HydrophobicContact CG-CG2 4.23Å; E195-T199 WeakPolarHBondContact O-CB 3.33Å; E195-T199 PolarHBondContact O-N 2.93Å; E195-T199 PolarHBondContact O-OG1 3.21Å; W196-T199 PolarHBondContact O-N 2.95Å; T199-Q202 PolarHBondContact O-N 2.94Å; T199-L203 WeakPolarHBondContact O-CG 3.33Å; T199-L203 PolarHBondContact O-N 3.14Å
200	I	66.3	Low	56.7	Low	75 Å²	75	75.5 Å²	75.5	39%	0.385	45%	0.449	S	S	.	.	H	α-helix	trans	-63.8	-40.3	174.5	-69.8	166.7	0	0	0	111.1	W196 E198 L203 S204	W196-I200 HydrophobicContact CE3-CD1 4.44Å; W196-I200 WeakPolarHBondContact O-CB 3.34Å; W196-I200 WeakPolarHBondContact O-CG1 3.41Å; W196-I200 PolarHBondContact O-N 3.42Å; E198-I200 VanDerWaalsContact C-N 3.34Å; E198-I200 PolarHBondContact O-N 2.69Å; I200-L203 PolarHBondContact O-N 2.88Å; I200-S204 WeakPolarHBondContact O-CB 3.45Å; I200-S204 PolarHBondContact O-N 2.9Å; I200-S204 PolarHBondContact O-OG 2.79Å
201	Q	67.9	Low	56.7	Low	122 Å²	122	77.7 Å²	77.7	57%	0.57	46%	0.46	S	S	*	.	H	α-helix	trans	-65.8	-41.9	176.1	-78	170.7	59.1	0	0	111.9	E197 E198 S204 S205	E197-Q201 WeakPolarHBondContact O-CB 3.44Å; E197-Q201 WeakPolarHBondContact O-CG 3.34Å; E197-Q201 PolarHBondContact O-N 3.33Å; E197-Q201 PolarHBondContact O-NE2 2.67Å; E198-Q201 PolarHBondContact O-N 2.78Å; Q201-S204 PolarHBondContact O-N 2.96Å; Q201-S205 WeakPolarHBondContact O-CB 3.33Å; Q201-S205 PolarHBondContact O-N 3.35Å; Q201-S205 PolarHBondContact O-OG 2.61Å
202	Q	69.6	Low	56.4	Low	93 Å²	93	79.1 Å²	79.1	44%	0.435	47%	0.47	S	S	.	.	H	α-helix	trans	-60.5	-48.1	174.4	-74	179.3	11	0	0	110.9	E198 T199 S204 S205 I206	E198-Q202 WeakPolarHBondContact O-CG 3.42Å; E198-Q202 PolarHBondContact O-N 2.93Å; T199-Q202 PolarHBondContact O-N 2.94Å; Q202-S204 VanDerWaalsContact C-N 3.34Å; Q202-S204 PolarHBondContact O-N 2.89Å; Q202-S205 PolarHBondContact O-N 3.45Å; Q202-S205 PolarHBondContact O-OG 2.83Å; Q202-I206 VanDerWaalsContact O-CG1 3.32Å; Q202-I206 WeakPolarHBondContact O-CG1 3.3Å; Q202-I206 PolarHBondContact O-N 3.1Å
203	L	64.7	Low	55.9	Low	63 Å²	63	79.1 Å²	79.1	33%	0.33	49%	0.485	S	S	.	.	H	α-helix	trans	-60.4	-42.3	175.7	-71.7	171.4	0	0	0	112.6	I163 L167 T199 I200 S205 I206 A207	I163-L203 HydrophobicContact CG2-CD2 3.88Å; I163-L203 HydrophobicContact CG2-CG 4.41Å; L167-L203 HydrophobicContact CD1-CD1 3.81Å; L167-L203 HydrophobicContact CD1-CD2 4.12Å; L167-L203 HydrophobicContact CD1-CG 4.39Å; T199-L203 WeakPolarHBondContact O-CG 3.33Å; T199-L203 PolarHBondContact O-N 3.14Å; I200-L203 PolarHBondContact O-N 2.88Å; L203-S205 VanDerWaalsContact C-N 3.3Å; L203-S205 PolarHBondContact O-N 2.84Å; L203-I206 PolarHBondContact O-N 3.4Å; L203-A207 WeakPolarHBondContact O-CB 3.42Å; L203-A207 PolarHBondContact O-N 2.85Å
204	S	66.5	Low	54.9	Low	70 Å²	70	83.4 Å²	83.4	49%	0.49	51%	0.506	S	S	.	.	H	α-helix	trans	-62.7	-38.5	177.7	-58.9	0	0	0	0	111.5	I200 Q201 Q202 A208	I200-S204 WeakPolarHBondContact O-CB 3.45Å; I200-S204 PolarHBondContact O-N 2.9Å; I200-S204 PolarHBondContact O-OG 2.79Å; Q201-S204 PolarHBondContact O-N 2.96Å; Q202-S204 VanDerWaalsContact C-N 3.34Å; Q202-S204 PolarHBondContact O-N 2.89Å; S204-A208 WeakPolarHBondContact O-CB 3.45Å; S204-A208 PolarHBondContact O-N 3.27Å; S204-A208 VanDerWaalsContact O-N 3.17Å
205	S	65.1	Low	53.8	Low	78 Å²	78	86.5 Å²	86.5	55%	0.545	53%	0.525	S	S	.	.	H	α-helix	trans	-68.6	-34.1	176.6	73.2	0	0	0	0	113.1	Q201 Q202 L203	Q201-S205 WeakPolarHBondContact O-CB 3.33Å; Q201-S205 PolarHBondContact O-N 3.35Å; Q201-S205 PolarHBondContact O-OG 2.61Å; Q202-S205 PolarHBondContact O-N 3.45Å; Q202-S205 PolarHBondContact O-OG 2.83Å; L203-S205 VanDerWaalsContact C-N 3.3Å; L203-S205 PolarHBondContact O-N 2.84Å
206	I	56.9	Low	52.4	Low	34 Å²	34	87.3 Å²	87.3	17%	0.174	55%	0.546	C	S	.	.	H	α-helix	trans	-70.1	-46.1	175.4	-65.5	162.1	0	0	0	110.3	P155 E160 I163 Q202 L203 A208 A209	P155-I206 HydrophobicContact CG-CG1 3.99Å; E160-I206 HydrophobicContact CG-CG2 4.14Å; E160-I206 WeakPolarHBondContact OE1-CG2 3.3Å; I163-I206 HydrophobicContact CD1-CD1 3.69Å; Q202-I206 VanDerWaalsContact O-CG1 3.32Å; Q202-I206 WeakPolarHBondContact O-CG1 3.3Å; Q202-I206 PolarHBondContact O-N 3.1Å; L203-I206 PolarHBondContact O-N 3.4Å; I206-A208 PolarHBondContact O-N 3.04Å; I206-A209 WeakPolarHBondContact O-CB 3.44Å; I206-A209 PolarHBondContact O-N 3.39Å; I206-A209 VanDerWaalsContact O-N 3.13Å
207	A	50.4	Low	51	Low	89 Å²	89	90 Å²	90	74%	0.736	58%	0.579	S	S	*	*	H	α-helix	trans	-65.2	-23.3	179.6	0	0	0	0	0	113.5	L203	L203-A207 WeakPolarHBondContact O-CB 3.42Å; L203-A207 PolarHBondContact O-N 2.85Å
208	A	53.9	Low	49.7	Very low	80 Å²	80	89.7 Å²	89.7	66%	0.661	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.5	-7.6	176.8	0	0	0	0	0	114.1	S204 I206	S204-A208 WeakPolarHBondContact O-CB 3.45Å; S204-A208 PolarHBondContact O-N 3.27Å; S204-A208 VanDerWaalsContact O-N 3.17Å; I206-A208 PolarHBondContact O-N 3.04Å
209	A	41.5	Very low	47.8	Very low	38 Å²	38	91 Å²	91	31%	0.314	61%	0.61	S	S	.	*	S	Bend	trans	-74	131.1	-178.7	0	0	0	0	0	111.7	I206 S211	I206-A209 WeakPolarHBondContact O-CB 3.44Å; I206-A209 PolarHBondContact O-N 3.39Å; I206-A209 VanDerWaalsContact O-N 3.13Å; A209-S211 PolarHBondContact O-N 2.98Å
210	P	36.5	Very low	46.6	Very low	106 Å²	106	95.9 Å²	95.9	69%	0.688	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-65.9	125.6	175.1	-14.3	27	0	0	0	110.8	Q154	Q154-P210 PolarHBondContact NE2-O 3.38Å
211	S	37.2	Very low	44.9	Very low	116 Å²	116	99.2 Å²	99.2	81%	0.811	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-59.6	129.1	174.6	-54.2	0	0	0	0	111.6	A209	A209-S211 PolarHBondContact O-N 2.98Å
212	P	37.7	Very low	43.5	Very low	105 Å²	105	101 Å²	101	68%	0.682	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-69.3	137.8	170.8	-13.3	27.6	0	0	0	111.3
213	G	31.5	Very low	42	Very low	70 Å²	70	102.5 Å²	102.5	72%	0.722	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-88.9	128.9	175.8	0	0	0	0	0	114
214	L	31.7	Very low	41	Very low	169 Å²	169	107.5 Å²	107.5	89%	0.885	71%	0.713	S	S	*	*			trans	59	145.4	149.1	-67	173.3	0	0	0	118.6
215	P	33.8	Very low	39.8	Very low	128 Å²	128	111.5 Å²	111.5	83%	0.831	73%	0.729	S	S	*	*				-148.9	176.3	63.9	34.4	-10.3	0	0	0	117.7
216	A	33.9	Very low	38.7	Very low	102 Å²	102	115.7 Å²	115.7	84%	0.843	75%	0.745	S	S	*	*			trans	-69	160.3	-170	0	0	0	0	0	116.7
217	A	29.9	Very low	38	Very low	105 Å²	105	120.5 Å²	120.5	87%	0.868	78%	0.776	S	S	*	*			trans	-62.8	150.7	-171.7	0	0	0	0	0	117.1
218	A	33.9	Very low	37.3	Very low	100 Å²	100	119.3 Å²	119.3	83%	0.826	77%	0.772	S	S	*	*			trans	-149.4	121.2	149.9	0	0	0	0	0	109.8
219	T	31	Very low	36.8	Very low	142 Å²	142	124.9 Å²	124.9	87%	0.871	79%	0.787	S	S	*	*			trans	-93.8	149.9	163.6	37.7	0	0	0	0	109.6
220	P	38.1	Very low	36.5	Very low	128 Å²	128	129.4 Å²	129.4	83%	0.831	81%	0.811	S	S	*	*			trans	-137.2	145.3	137.8	22.3	-2	0	0	0	114.4
221	N	31.2	Very low	36.8	Very low	146 Å²	146	135.8 Å²	135.8	78%	0.781	82%	0.821	S	S	*	*			trans	-79.9	142.3	173.5	-165.8	21.5	0	0	0	110.2
222	N	39.7	Very low	36.9	Very low	158 Å²	158	135.3 Å²	135.3	85%	0.845	82%	0.818	S	S	*	*			trans	-153.1	130.3	156.8	-154	13	0	0	0	113.5
223	N	37	Very low	36.9	Very low	126 Å²	126	136.4 Å²	136.4	67%	0.674	83%	0.825	S	S	*	*			trans	-78.9	151.7	177.5	-76.7	-28.8	0	0	0	111.4
224	N	44.1	Very low	37.4	Very low	168 Å²	168	138.2 Å²	138.2	90%	0.898	83%	0.827	S	S	*	*			trans	-144.2	113.7	152.1	-114.5	-4.3	0	0	0	110.9
225	N	40.3	Very low	37.7	Very low	153 Å²	153	138.4 Å²	138.4	82%	0.818	83%	0.828	S	S	*	*			trans	-77.9	141.3	166.5	-80.1	-22.1	0	0	0	109.2
226	N	42.1	Very low	38.2	Very low	166 Å²	166	137.2 Å²	137.2	89%	0.888	82%	0.823	S	S	*	*			trans	-134.4	135.9	154	-152.7	13.2	0	0	0	111.2
227	V	42.9	Very low	38.4	Very low	136 Å²	136	138.3 Å²	138.3	82%	0.824	82%	0.824	S	S	*	*			trans	-92.3	149.4	-170.7	169.3	0	0	0	0	109.4
228	G	36.4	Very low	39	Very low	63 Å²	63	139.3 Å²	139.3	65%	0.649	82%	0.82	S	S	*	*			trans	152.3	103	149.3	0	0	0	0	0	118.6
229	M	41.8	Very low	39.4	Very low	197 Å²	197	139.5 Å²	139.5	97%	0.97	82%	0.822	S	S	*	*			trans	88.5	128	141.7	-64.4	179.2	176.7	0	0	120.7
230	T	36.6	Very low	39.9	Very low	134 Å²	134	138.1 Å²	138.1	82%	0.822	82%	0.818	S	S	*	*			trans	-93.7	149.6	-178.4	48.2	0	0	0	0	111.3
231	R	41.2	Very low	40	Very low	240 Å²	240	137.7 Å²	137.7	91%	0.906	82%	0.818	S	S	*	*			trans	-176.2	118.7	137.7	-103.8	170.2	-176.9	-170.9	1.3	112
232	S	39.4	Very low	40.5	Very low	105 Å²	105	136 Å²	136	73%	0.734	82%	0.817	S	S	*	*			trans	42.7	136.4	145.8	-50.4	0	0	0	0	122.4
233	P	38.8	Very low	40.7	Very low	129 Å²	129	132.5 Å²	132.5	84%	0.838	81%	0.811	S	S	*	*			trans	-84.8	144.9	177	35.4	-31.3	0	0	0	111.4
234	S	42.4	Very low	40.6	Very low	108 Å²	108	132 Å²	132	76%	0.755	82%	0.817	S	S	*	*			trans	-139.2	114.1	169.7	-62.1	0	0	0	0	109.2	S236	S234-S236 PolarHBondContact O-N 2.68Å
235	N	38.1	Very low	40.4	Very low	172 Å²	172	129.8 Å²	129.8	92%	0.92	81%	0.814	S	S	*	*			trans	-53.2	124.2	170.4	-82.4	-12	0	0	0	110.3
236	S	42.7	Very low	40.5	Very low	103 Å²	103	127.5 Å²	127.5	72%	0.72	81%	0.809	S	S	*	*			trans	-138.4	106.8	161.5	-53	0	0	0	0	107.8	S234 T238	S234-S236 PolarHBondContact O-N 2.68Å; S236-T238 PolarHBondContact O-N 3.21Å
237	S	38.2	Very low	40.6	Very low	125 Å²	125	125 Å²	125	87%	0.874	80%	0.802	S	S	*	*			trans	-60.3	112.3	169	48	0	0	0	0	110.6
238	T	42.5	Very low	41.1	Very low	126 Å²	126	123 Å²	123	77%	0.773	79%	0.792	S	S	*	*			trans	-108.9	115.3	160.6	35.5	0	0	0	0	108.5	S236 S240	S236-T238 PolarHBondContact O-N 3.21Å; T238-S240 PolarHBondContact O-N 3.27Å; T238-S240 VanDerWaalsContact O-N 3.16Å
239	A	42.2	Very low	42.3	Very low	105 Å²	105	124.7 Å²	124.7	87%	0.868	79%	0.79	S	S	*	*			trans	-55.8	114	175.1	0	0	0	0	0	110	S241	A239-S241 PolarHBondContact O-N 2.81Å
240	S	41.4	Very low	43.7	Very low	113 Å²	113	120.4 Å²	120.4	79%	0.79	78%	0.777	S	S	*	*			trans	-68.5	112.8	168	-45.7	0	0	0	0	108.2	T238 S242	T238-S240 PolarHBondContact O-N 3.27Å; T238-S240 VanDerWaalsContact O-N 3.16Å; S240-S242 VanDerWaalsContact C-N 3.34Å; S240-S242 PolarHBondContact O-N 3.22Å
241	S	41.9	Very low	45.5	Very low	118 Å²	118	114.9 Å²	114.9	83%	0.825	75%	0.746	S	S	*	*			trans	-59.1	98.7	161.6	41.3	0	0	0	0	108.6	A239 A243	A239-S241 PolarHBondContact O-N 2.81Å; S241-A243 VanDerWaalsContact C-N 3.34Å; S241-A243 PolarHBondContact O-N 3.35Å
242	S	40	Very low	47.2	Very low	110 Å²	110	105.7 Å²	105.7	77%	0.769	72%	0.721	S	S	*	*			trans	-66.4	91	169.8	52.4	0	0	0	0	109	S240 S244	S240-S242 VanDerWaalsContact C-N 3.34Å; S240-S242 PolarHBondContact O-N 3.22Å; S242-S244 PolarHBondContact O-N 2.88Å
243	A	43.8	Very low	49.5	Very low	86 Å²	86	102.5 Å²	102.5	71%	0.711	70%	0.701	S	S	*	*			trans	-62	116.6	153.2	0	0	0	0	0	106.4	S241 C245	S241-A243 VanDerWaalsContact C-N 3.34Å; S241-A243 PolarHBondContact O-N 3.35Å; A243-C245 VanDerWaalsContact C-N 3.33Å; A243-C245 PolarHBondContact O-N 3.3Å
244	S	34.6	Very low	51.9	Low	116 Å²	116	97 Å²	97	81%	0.811	67%	0.666	S	S	*	*			trans	-63.7	90	179.8	56.3	0	0	0	0	110.1	S242 S246	S242-S244 PolarHBondContact O-N 2.88Å; S244-S246 PolarHBondContact O-N 3.05Å
245	C	41	Very low	54.2	Low	121 Å²	121	96.9 Å²	96.9	82%	0.818	65%	0.649	S	S	*	*			trans	-73	109.8	160.1	-70.1	0	0	0	0	107.1	A243	A243-C245 VanDerWaalsContact C-N 3.33Å; A243-C245 PolarHBondContact O-N 3.3Å
246	S	42.5	Very low	56.8	Low	104 Å²	104	94.4 Å²	94.4	73%	0.727	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-50.6	135.6	165.7	-54.3	0	0	0	0	108.8	S244	S244-S246 PolarHBondContact O-N 3.05Å
247	P	44.8	Very low	59.2	Low	114 Å²	114	92 Å²	92	74%	0.74	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-56.5	137.7	177.2	22.6	-31.4	0	0	0	109.3	T249	P247-T249 PolarHBondContact O-N 3.1Å
248	P	52	Low	61.9	Low	95 Å²	95	86.1 Å²	86.1	62%	0.617	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-55.7	135.4	176.5	22.3	-31.3	0	0	0	108.8	A252	P248-A252 HydrophobicContact CB-CB 4.23Å
249	T	61.6	Low	64.5	Low	98 Å²	98	82.2 Å²	82.2	60%	0.601	55%	0.548	S	S	*	.	P	Polyproline II helix	trans	-57.1	148.1	173.2	53	0	0	0	0	109	P247 G251 A252 A253	P247-T249 PolarHBondContact O-N 3.1Å; T249-G251 PolarHBondContact O-N 3.21Å; T249-A252 PolarHBondContact O-N 3.3Å; T249-A253 PolarHBondContact O-N 3.49Å
250	P	72.3	Confident	67	Low	107 Å²	107	80.7 Å²	80.7	70%	0.695	52%	0.522	S	S	*	.	H	α-helix	trans	-51.1	-31.1	-178.2	-29.3	34.7	0	0	0	114.4	S254	P250-S254 WeakPolarHBondContact O-CB 3.23Å; P250-S254 PolarHBondContact O-N 3.31Å; P250-S254 PolarHBondContact O-OG 3.49Å
251	G	73.5	Confident	69.6	Low	17 Å²	17	75.3 Å²	75.3	18%	0.175	49%	0.485	C	S	.	.	H	α-helix	trans	-67.7	-45.5	174.2	0	0	0	0	0	113.6	T249 A253 S254 R255	T249-G251 PolarHBondContact O-N 3.21Å; G251-A253 VanDerWaalsContact C-N 3.33Å; G251-A253 PolarHBondContact O-N 3.48Å; G251-S254 WeakPolarHBondContact O-CB 3.33Å; G251-S254 PolarHBondContact O-N 2.94Å; G251-R255 PolarHBondContact O-N 3.27Å
252	A	77.8	Confident	72.2	Confident	47 Å²	47	69.7 Å²	69.7	39%	0.388	45%	0.446	S	S	.	.	H	α-helix	trans	-60.6	-42.3	178.8	0	0	0	0	0	112.2	P248 T249 S254 R255 Q256	P248-A252 HydrophobicContact CB-CB 4.23Å; T249-A252 PolarHBondContact O-N 3.3Å; A252-S254 VanDerWaalsContact C-N 3.28Å; A252-S254 PolarHBondContact O-N 3.3Å; A252-R255 PolarHBondContact O-N 2.95Å; A252-Q256 PolarHBondContact O-N 2.99Å; A252-Q256 VanDerWaalsContact O-N 3.09Å
253	A	86.4	Confident	74.9	Confident	38 Å²	38	67.5 Å²	67.5	31%	0.314	43%	0.428	S	S	.	.	H	α-helix	trans	-63.1	-36.5	175	0	0	0	0	0	112	T249 G251 L257	T249-A253 PolarHBondContact O-N 3.49Å; G251-A253 VanDerWaalsContact C-N 3.33Å; G251-A253 PolarHBondContact O-N 3.48Å; A253-L257 WeakPolarHBondContact O-CG 3.49Å; A253-L257 PolarHBondContact O-N 3.22Å
254	S	90.5	Very high	77.4	Confident	14 Å²	14	63.9 Å²	63.9	10%	0.098	40%	0.397	C	S	.	.	H	α-helix	trans	-71.9	-40.6	-180	-60.6	0	0	0	0	112.2	P250 G251 A252 Q256 L257 L258 L280 I295	P250-S254 WeakPolarHBondContact O-CB 3.23Å; P250-S254 PolarHBondContact O-N 3.31Å; P250-S254 PolarHBondContact O-OG 3.49Å; G251-S254 WeakPolarHBondContact O-CB 3.33Å; G251-S254 PolarHBondContact O-N 2.94Å; A252-S254 VanDerWaalsContact C-N 3.28Å; A252-S254 PolarHBondContact O-N 3.3Å; S254-Q256 VanDerWaalsContact C-N 3.34Å; S254-L257 PolarHBondContact O-N 3.09Å; S254-L258 WeakPolarHBondContact O-CB 3.39Å; S254-L258 WeakPolarHBondContact O-CG 3.31Å; S254-L258 PolarHBondContact O-N 3.08Å; S254-L280 WeakPolarHBondContact O-CD2 3.49Å; S254-I295 VanDerWaalsContact CB-CD1 3.47Å
255	R	89.8	Confident	80.3	Confident	105 Å²	105	59 Å²	59	40%	0.396	36%	0.362	S	S	.	.	H	α-helix	trans	-64.1	-37.5	173	-69.9	-176.2	-175.2	175.2	-5.1	112.5	G251 A252 L258 S259 E291	G251-R255 PolarHBondContact O-N 3.27Å; A252-R255 PolarHBondContact O-N 2.95Å; R255-L258 WeakPolarHBondContact O-CB 3.49Å; R255-L258 PolarHBondContact O-N 3.35Å; R255-S259 PolarHBondContact O-N 3.31Å; R255-S259 PolarHBondContact O-OG 3.32Å; R255-E291 WeakPolarHBondContact CG-OE1 3.44Å; R255-E291 IonicContact CZ-OE1 3.38Å; R255-E291 IonicContact CZ-OE2 2.66Å; R255-E291 VanDerWaalsContact CZ-OE2 3.23Å; R255-E291 VanDerWaalsContact NE-CD 3.33Å; R255-E291 IonicContact NE-OE1 3.43Å; R255-E291 PolarHBondContact NE-OE1 3.12Å; R255-E291 IonicContact NE-OE2 2.79Å; R255-E291 PolarHBondContact NE-OE2 3.3Å; R255-E291 VanDerWaalsContact NE-OE2 3.11Å; R255-E291 IonicContact NH2-OE1 2.82Å; R255-E291 IonicContact NH2-OE2 3.24Å; R255-E291 PolarHBondContact NH2-OE2 3.03Å
256	Q	92.7	Very high	82.8	Confident	121 Å²	121	55.7 Å²	55.7	57%	0.565	34%	0.344	S	S	*	.	H	α-helix	trans	-64	-50.5	174.6	-179.3	172.2	-11.1	0	0	111.2	A252 S254 L258 S259 E260	A252-Q256 PolarHBondContact O-N 2.99Å; A252-Q256 VanDerWaalsContact O-N 3.09Å; S254-Q256 VanDerWaalsContact C-N 3.34Å; Q256-L258 VanDerWaalsContact C-N 3.25Å; Q256-L258 PolarHBondContact O-N 2.96Å; Q256-S259 WeakPolarHBondContact O-CB 3.25Å; Q256-S259 PolarHBondContact O-N 2.84Å; Q256-E260 HydrophobicContact CG-CG 4.48Å; Q256-E260 WeakPolarHBondContact CG-OE1 3.3Å; Q256-E260 PolarHBondContact NE2-OE1 2.8Å; Q256-E260 WeakPolarHBondContact O-CG 3.48Å; Q256-E260 PolarHBondContact O-N 2.88Å
257	L	94.4	Very high	85.3	Confident	52 Å²	52	55.5 Å²	55.5	27%	0.272	33%	0.334	S	S	.	.	H	α-helix	trans	-58.8	-36.4	176.3	-79.8	170.1	0	0	0	112.9	A253 S254 A261 H276 L280	A253-L257 WeakPolarHBondContact O-CG 3.49Å; A253-L257 PolarHBondContact O-N 3.22Å; S254-L257 PolarHBondContact O-N 3.09Å; L257-A261 WeakPolarHBondContact O-CB 3.38Å; L257-A261 PolarHBondContact O-N 3.21Å; L257-H276 WeakPolarHBondContact CD2-ND1 3.26Å; L257-L280 HydrophobicContact CB-CD1 4.02Å; L257-L280 HydrophobicContact CB-CD2 3.93Å; L257-L280 HydrophobicContact CB-CG 4.04Å; L257-L280 HydrophobicContact CD1-CD2 4.3Å
258	L	95.2	Very high	87.6	Confident	1 Å²	1	52 Å²	52	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-63.5	-43.5	174.3	-89	174.4	0	0	0	112	S254 R255 Q256 A261 A262 L280 I295 M298 V299 L302 F507	S254-L258 WeakPolarHBondContact O-CB 3.39Å; S254-L258 WeakPolarHBondContact O-CG 3.31Å; S254-L258 PolarHBondContact O-N 3.08Å; R255-L258 WeakPolarHBondContact O-CB 3.49Å; R255-L258 PolarHBondContact O-N 3.35Å; Q256-L258 VanDerWaalsContact C-N 3.25Å; Q256-L258 PolarHBondContact O-N 2.96Å; L258-A261 WeakPolarHBondContact O-CB 3.44Å; L258-A261 PolarHBondContact O-N 3.35Å; L258-A262 PolarHBondContact O-N 3.27Å; L258-L280 HydrophobicContact CB-CD1 4.32Å; L258-L280 HydrophobicContact CD2-CD1 3.66Å; L258-L280 HydrophobicContact CG-CD1 3.65Å; L258-L280 HydrophobicContact CG-CD2 4.35Å; L258-I295 HydrophobicContact CD1-CG1 4.21Å; L258-M298 HydrophobicContact CD1-CB 3.89Å; L258-M298 HydrophobicContact CD1-CG 4.47Å; L258-M298 HydrophobicContact CD2-CB 3.76Å; L258-M298 HydrophobicContact CG-CB 4.5Å; L258-V299 HydrophobicContact CD2-CG2 3.99Å; L258-L302 HydrophobicContact CD2-CD1 4.03Å; L258-F507 HydrophobicContact CB-CE1 4.01Å; L258-F507 HydrophobicContact CB-CZ 3.68Å; L258-F507 HydrophobicContact CD1-CZ 4.37Å; L258-F507 HydrophobicContact CD2-CZ 4.14Å; L258-F507 HydrophobicContact CG-CZ 4.29Å
259	S	95.3	Very high	89.6	Confident	45 Å²	45	52.9 Å²	52.9	32%	0.315	32%	0.315	S	S	.	.	H	α-helix	trans	-66.3	-42.8	177.5	-54.8	0	0	0	0	111.1	R255 Q256 A261 A262 V263	R255-S259 PolarHBondContact O-N 3.31Å; R255-S259 PolarHBondContact O-OG 3.32Å; Q256-S259 WeakPolarHBondContact O-CB 3.25Å; Q256-S259 PolarHBondContact O-N 2.84Å; S259-A261 VanDerWaalsContact C-N 3.33Å; S259-A261 PolarHBondContact O-N 3.33Å; S259-A262 PolarHBondContact O-N 3.26Å; S259-V263 WeakPolarHBondContact O-CG2 3.32Å; S259-V263 PolarHBondContact O-N 3.36Å
260	E	95.9	Very high	91.1	Very high	72 Å²	72	52.7 Å²	52.7	34%	0.336	31%	0.307	S	S	.	.	H	α-helix	trans	-59.8	-41.7	173.3	-71.3	170.9	-170.6	0	0	111.5	Q256 A262 V263 A264 H276	Q256-E260 HydrophobicContact CG-CG 4.48Å; Q256-E260 WeakPolarHBondContact CG-OE1 3.3Å; Q256-E260 PolarHBondContact NE2-OE1 2.8Å; Q256-E260 WeakPolarHBondContact O-CG 3.48Å; Q256-E260 PolarHBondContact O-N 2.88Å; E260-A262 PolarHBondContact O-N 3Å; E260-V263 PolarHBondContact O-N 3.49Å; E260-A264 VanDerWaalsContact O-CB 3.27Å; E260-A264 WeakPolarHBondContact O-CB 3.48Å; E260-A264 PolarHBondContact O-N 3.04Å; E260-H276 IonicContact OE2-CE1 3.97Å; E260-H276 PolarHBondContact OE2-CE1 3.41Å; E260-H276 IonicContact OE2-ND1 3.4Å
261	A	96.4	Very high	92.1	Very high	0 Å²	0	56 Å²	56	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-62.6	-42.4	174.3	0	0	0	0	0	112.1	L257 L258 S259 A264 I265 H276 L277 L302	L257-A261 WeakPolarHBondContact O-CB 3.38Å; L257-A261 PolarHBondContact O-N 3.21Å; L258-A261 WeakPolarHBondContact O-CB 3.44Å; L258-A261 PolarHBondContact O-N 3.35Å; S259-A261 VanDerWaalsContact C-N 3.33Å; S259-A261 PolarHBondContact O-N 3.33Å; A261-A264 PolarHBondContact O-N 2.67Å; A261-I265 VanDerWaalsContact O-CG1 3.24Å; A261-I265 WeakPolarHBondContact O-CG1 3.39Å; A261-I265 PolarHBondContact O-N 3.43Å; A261-H276 HydrophobicContact CB-CB 3.87Å; A261-L277 HydrophobicContact CB-CD2 4.15Å; A261-L277 HydrophobicContact CB-CG 4.19Å; A261-L302 HydrophobicContact CB-CD1 4.12Å
262	A	96.4	Very high	93.1	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.008	32%	0.322	C	S	.	.	H	α-helix	trans	-64.8	-41.9	178	0	0	0	0	0	112.4	L258 S259 E260 I265 A266 L302 F507	L258-A262 PolarHBondContact O-N 3.27Å; S259-A262 PolarHBondContact O-N 3.26Å; E260-A262 PolarHBondContact O-N 3Å; A262-I265 PolarHBondContact O-N 3.43Å; A262-A266 WeakPolarHBondContact O-CB 3.49Å; A262-A266 PolarHBondContact O-N 3.2Å; A262-L302 HydrophobicContact CB-CD1 4.39Å; A262-L302 HydrophobicContact CB-CD2 4.2Å; A262-F507 HydrophobicContact CB-CB 3.75Å; A262-F507 HydrophobicContact CB-CD1 3.59Å; A262-F507 HydrophobicContact CB-CD2 4.13Å; A262-F507 HydrophobicContact CB-CE1 4.34Å; A262-F507 HydrophobicContact CB-CG 3.5Å
263	V	96.6	Very high	94	Very high	64 Å²	64	55 Å²	55	39%	0.388	30%	0.303	S	S	.	.	H	α-helix	trans	-63.8	-47.2	174.1	173.2	0	0	0	0	110.5	S259 E260 I265 A266 D267 A504	S259-V263 WeakPolarHBondContact O-CG2 3.32Å; S259-V263 PolarHBondContact O-N 3.36Å; E260-V263 PolarHBondContact O-N 3.49Å; V263-I265 VanDerWaalsContact C-N 3.3Å; V263-I265 PolarHBondContact O-N 2.82Å; V263-A266 WeakPolarHBondContact O-CA 3.28Å; V263-A266 WeakPolarHBondContact O-CB 3.23Å; V263-A266 PolarHBondContact O-N 3.24Å; V263-D267 WeakPolarHBondContact CG1-OD2 3.39Å; V263-D267 PolarHBondContact O-N 2.94Å; V263-A504 HydrophobicContact CG2-CB 4.08Å
264	A	96.4	Very high	94.3	Very high	9 Å²	9	55.3 Å²	55.3	7%	0.074	31%	0.306	C	S	.	.	H	α-helix	trans	-58.9	-39	177.4	0	0	0	0	0	112.4	E260 A261 G268 H269 A272 A273	E260-A264 VanDerWaalsContact O-CB 3.27Å; E260-A264 WeakPolarHBondContact O-CB 3.48Å; E260-A264 PolarHBondContact O-N 3.04Å; A261-A264 PolarHBondContact O-N 2.67Å; A264-G268 PolarHBondContact O-N 3.46Å; A264-H269 HydrophobicContact CB-CB 4.2Å; A264-H269 CarbonylContact O-C 3.59Å; A264-H269 WeakPolarHBondContact O-CA 3.35Å; A264-H269 PolarHBondContact O-N 2.89Å; A264-A272 HydrophobicContact CB-CB 4.34Å; A264-A273 HydrophobicContact CB-CB 3.88Å
265	I	95.2	Very high	94.5	Very high	15 Å²	15	57.7 Å²	57.7	8%	0.077	33%	0.327	C	S	.	.	H	α-helix	trans	-65.8	-43.5	173.3	-64.9	163.7	0	0	0	111	A261 A262 V263 D267 G268 A273 L302 R305 I306 L503	A261-I265 VanDerWaalsContact O-CG1 3.24Å; A261-I265 WeakPolarHBondContact O-CG1 3.39Å; A261-I265 PolarHBondContact O-N 3.43Å; A262-I265 PolarHBondContact O-N 3.43Å; V263-I265 VanDerWaalsContact C-N 3.3Å; V263-I265 PolarHBondContact O-N 2.82Å; I265-D267 VanDerWaalsContact C-N 3.27Å; I265-D267 PolarHBondContact O-N 2.95Å; I265-G268 PolarHBondContact O-N 3.42Å; I265-G268 VanDerWaalsContact O-N 3.17Å; I265-A273 HydrophobicContact CD1-CB 4.29Å; I265-A273 HydrophobicContact CG1-CB 3.52Å; I265-L302 HydrophobicContact CD1-CB 4Å; I265-L302 HydrophobicContact CD1-CD2 3.96Å; I265-L302 HydrophobicContact CD1-CG 4.46Å; I265-R305 HydrophobicContact CG2-CB 4.47Å; I265-I306 HydrophobicContact CD1-CD1 3.85Å; I265-I306 HydrophobicContact CD1-CG1 3.84Å; I265-I306 HydrophobicContact CG1-CD1 3.85Å; I265-I306 HydrophobicContact CG1-CG1 3.79Å; I265-L503 HydrophobicContact CB-CD2 3.9Å; I265-L503 HydrophobicContact CG2-CD2 3.47Å; I265-L503 VanDerWaalsContact CG2-CD2 3.47Å
266	A	93.7	Very high	94.7	Very high	51 Å²	51	55 Å²	55	42%	0.421	32%	0.319	S	S	.	.	H	α-helix	trans	-62.2	-36.1	-179.9	0	0	0	0	0	112.2	A262 V263 G268 L503	A262-A266 WeakPolarHBondContact O-CB 3.49Å; A262-A266 PolarHBondContact O-N 3.2Å; V263-A266 WeakPolarHBondContact O-CA 3.28Å; V263-A266 WeakPolarHBondContact O-CB 3.23Å; V263-A266 PolarHBondContact O-N 3.24Å; A266-G268 VanDerWaalsContact C-N 3.32Å; A266-L503 HydrophobicContact CB-CB 4.27Å; A266-L503 HydrophobicContact CB-CD2 4.32Å
267	D	94.8	Very high	94.7	Very high	99 Å²	99	49.5 Å²	49.5	53%	0.529	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-3	178.5	-65.7	-21.4	0	0	0	113.6	V263 I265	V263-D267 WeakPolarHBondContact CG1-OD2 3.39Å; V263-D267 PolarHBondContact O-N 2.94Å; I265-D267 VanDerWaalsContact C-N 3.27Å; I265-D267 PolarHBondContact O-N 2.95Å
268	G	93	Very high	94.6	Very high	42 Å²	42	49.5 Å²	49.5	43%	0.433	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.1	7	-178.7	0	0	0	0	0	115.1	A264 I265 A266 H270	A264-G268 PolarHBondContact O-N 3.46Å; I265-G268 PolarHBondContact O-N 3.42Å; I265-G268 VanDerWaalsContact O-N 3.17Å; A266-G268 VanDerWaalsContact C-N 3.32Å; G268-H270 PolarHBondContact O-N 2.74Å
269	H	94.7	Very high	94.5	Very high	113 Å²	113	51 Å²	51	52%	0.523	31%	0.312	S	S	.	.			trans	-80.3	63.9	176	-58.3	128.9	0	0	0	112	A264 E271 A272 A273	A264-H269 HydrophobicContact CB-CB 4.2Å; A264-H269 CarbonylContact O-C 3.59Å; A264-H269 WeakPolarHBondContact O-CA 3.35Å; A264-H269 PolarHBondContact O-N 2.89Å; H269-E271 VanDerWaalsContact C-N 3.32Å; H269-E271 PolarHBondContact O-N 3.49Å; H269-A272 HydrophobicContact CB-CB 4.21Å; H269-A272 PolarHBondContact O-N 3.34Å; H269-A273 PolarHBondContact O-N 3.05Å; H269-A273 VanDerWaalsContact O-N 3.08Å
270	H	92.7	Very high	94.3	Very high	94 Å²	94	48.9 Å²	48.9	44%	0.435	30%	0.298	S	S	.	.	H	α-helix	trans	-61.3	-33.2	-173.7	-64.2	-48	0	0	0	114.6	G268 A274 I306	G268-H270 PolarHBondContact O-N 2.74Å; H270-A274 WeakPolarHBondContact O-CB 3.42Å; H270-A274 PolarHBondContact O-N 2.94Å; H270-I306 HydrophobicContact CB-CG2 4.06Å
271	E	93.4	Very high	94	Very high	176 Å²	176	51.4 Å²	51.4	82%	0.822	31%	0.308	S	S	*	.	H	α-helix	trans	-67.9	-44.5	177.2	-65.6	-172.4	165.9	0	0	112.2	H269 A274 A275	H269-E271 VanDerWaalsContact C-N 3.32Å; H269-E271 PolarHBondContact O-N 3.49Å; E271-A274 PolarHBondContact O-N 3.02Å; E271-A275 PolarHBondContact O-N 3.37Å
272	A	94.6	Very high	93.4	Very high	43 Å²	43	61.2 Å²	61.2	36%	0.355	35%	0.345	S	S	.	.	H	α-helix	trans	-61.7	-46.6	175.7	0	0	0	0	0	110.5	A264 H269 A274 A275 H276	A264-A272 HydrophobicContact CB-CB 4.34Å; H269-A272 HydrophobicContact CB-CB 4.21Å; H269-A272 PolarHBondContact O-N 3.34Å; A272-A274 VanDerWaalsContact C-N 3.33Å; A272-A274 PolarHBondContact O-N 2.94Å; A272-A275 WeakPolarHBondContact O-CB 3.31Å; A272-A275 PolarHBondContact O-N 3.32Å; A272-A275 VanDerWaalsContact O-N 3.14Å; A272-H276 PolarHBondContact O-CD2 2.85Å; A272-H276 PolarHBondContact O-N 3.46Å
273	A	95.1	Very high	92.5	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-58.4	-43.6	175.1	0	0	0	0	0	112.4	A264 I265 H269 A275 H276 L277 I306	A264-A273 HydrophobicContact CB-CB 3.88Å; I265-A273 HydrophobicContact CD1-CB 4.29Å; I265-A273 HydrophobicContact CG1-CB 3.52Å; H269-A273 PolarHBondContact O-N 3.05Å; H269-A273 VanDerWaalsContact O-N 3.08Å; A273-A275 VanDerWaalsContact C-N 3.31Å; A273-A275 PolarHBondContact O-N 2.88Å; A273-H276 PolarHBondContact O-N 3.49Å; A273-L277 WeakPolarHBondContact O-CB 3.47Å; A273-L277 VanDerWaalsContact O-CG 3.25Å; A273-L277 WeakPolarHBondContact O-CG 3.49Å; A273-L277 PolarHBondContact O-N 3.37Å; A273-I306 HydrophobicContact CB-CD1 3.55Å
274	A	93.9	Very high	91.9	Very high	45 Å²	45	61.6 Å²	61.6	37%	0.372	36%	0.355	S	S	.	.	H	α-helix	trans	-61.5	-38.7	176.4	0	0	0	0	0	112.2	H270 E271 A272 L277 A278	H270-A274 WeakPolarHBondContact O-CB 3.42Å; H270-A274 PolarHBondContact O-N 2.94Å; E271-A274 PolarHBondContact O-N 3.02Å; A272-A274 VanDerWaalsContact C-N 3.33Å; A272-A274 PolarHBondContact O-N 2.94Å; A274-L277 PolarHBondContact O-N 3.37Å; A274-A278 VanDerWaalsContact O-CB 3.3Å; A274-A278 WeakPolarHBondContact O-CB 3.29Å; A274-A278 PolarHBondContact O-N 2.87Å
275	A	93.9	Very high	91.5	Very high	64 Å²	64	64.2 Å²	64.2	53%	0.529	37%	0.367	S	S	.	.	H	α-helix	trans	-65.2	-45.9	175.8	0	0	0	0	0	112.3	E271 A272 A273 L277 A278 A279	E271-A275 PolarHBondContact O-N 3.37Å; A272-A275 WeakPolarHBondContact O-CB 3.31Å; A272-A275 PolarHBondContact O-N 3.32Å; A272-A275 VanDerWaalsContact O-N 3.14Å; A273-A275 VanDerWaalsContact C-N 3.31Å; A273-A275 PolarHBondContact O-N 2.88Å; A275-L277 PolarHBondContact O-N 2.89Å; A275-A278 PolarHBondContact O-N 3.34Å; A275-A279 PolarHBondContact O-N 3.19Å; A275-A279 VanDerWaalsContact O-N 3.07Å
276	H	94.1	Very high	91.1	Very high	49 Å²	49	70 Å²	70	23%	0.227	39%	0.394	C	S	.	.	H	α-helix	trans	-59.3	-47	174.7	-66.5	-64.2	0	0	0	111.4	L257 E260 A261 A272 A273 A278 A279 L280	L257-H276 WeakPolarHBondContact CD2-ND1 3.26Å; E260-H276 IonicContact OE2-CE1 3.97Å; E260-H276 PolarHBondContact OE2-CE1 3.41Å; E260-H276 IonicContact OE2-ND1 3.4Å; A261-H276 HydrophobicContact CB-CB 3.87Å; A272-H276 PolarHBondContact O-CD2 2.85Å; A272-H276 PolarHBondContact O-N 3.46Å; A273-H276 PolarHBondContact O-N 3.49Å; H276-A278 PolarHBondContact O-N 3.02Å; H276-A279 WeakPolarHBondContact O-CB 3.44Å; H276-A279 PolarHBondContact O-N 3.43Å; H276-L280 WeakPolarHBondContact O-CG 3.3Å; H276-L280 PolarHBondContact O-N 2.99Å
277	L	94.1	Very high	90.8	Very high	4 Å²	4	74 Å²	74	2%	0.021	40%	0.404	C	S	.	.	H	α-helix	trans	-65.2	-36.7	178.7	-67	172.6	0	0	0	112.4	A261 A273 A274 A275 A279 L280 K281 V299 L302 I306	A261-L277 HydrophobicContact CB-CD2 4.15Å; A261-L277 HydrophobicContact CB-CG 4.19Å; A273-L277 WeakPolarHBondContact O-CB 3.47Å; A273-L277 VanDerWaalsContact O-CG 3.25Å; A273-L277 WeakPolarHBondContact O-CG 3.49Å; A273-L277 PolarHBondContact O-N 3.37Å; A274-L277 PolarHBondContact O-N 3.37Å; A275-L277 PolarHBondContact O-N 2.89Å; L277-A279 VanDerWaalsContact C-N 3.3Å; L277-A279 PolarHBondContact O-N 3.23Å; L277-L280 HydrophobicContact CD2-CD1 4.44Å; L277-L280 PolarHBondContact O-N 3.12Å; L277-K281 VanDerWaalsContact O-CG 3.32Å; L277-K281 WeakPolarHBondContact O-CG 3.1Å; L277-K281 PolarHBondContact O-N 3.47Å; L277-V299 HydrophobicContact CD2-CG1 4.44Å; L277-V299 HydrophobicContact CD2-CG2 4.34Å; L277-L302 HydrophobicContact CD1-CB 4.05Å; L277-L302 HydrophobicContact CD2-CB 3.82Å; L277-L302 HydrophobicContact CD2-CD1 4.07Å; L277-I306 HydrophobicContact CD1-CD1 3.53Å
278	A	92.2	Very high	90.5	Very high	53 Å²	53	69.4 Å²	69.4	44%	0.438	38%	0.38	S	S	.	.	H	α-helix	trans	-64.6	-35.1	174.8	0	0	0	0	0	112.3	A274 A275 H276	A274-A278 VanDerWaalsContact O-CB 3.3Å; A274-A278 WeakPolarHBondContact O-CB 3.29Å; A274-A278 PolarHBondContact O-N 2.87Å; A275-A278 PolarHBondContact O-N 3.34Å; H276-A278 PolarHBondContact O-N 3.02Å
279	A	91.6	Very high	90.5	Very high	31 Å²	31	71.4 Å²	71.4	26%	0.256	38%	0.381	S	S	.	.	H	α-helix	trans	-66.9	-45.1	172.7	0	0	0	0	0	111.7	A275 H276 L277 K281 R282	A275-A279 PolarHBondContact O-N 3.19Å; A275-A279 VanDerWaalsContact O-N 3.07Å; H276-A279 WeakPolarHBondContact O-CB 3.44Å; H276-A279 PolarHBondContact O-N 3.43Å; L277-A279 VanDerWaalsContact C-N 3.3Å; L277-A279 PolarHBondContact O-N 3.23Å; A279-K281 PolarHBondContact O-N 3.32Å; A279-R282 PolarHBondContact O-N 2.94Å
280	L	91.6	Very high	90.4	Very high	1 Å²	1	66.5 Å²	66.5	1%	0.005	36%	0.36	C	S	.	.	H	α-helix	trans	-67.4	-33.2	-179.7	-71.9	164.3	0	0	0	113.6	S254 L257 L258 H276 L277 R282 A283 A284 I295 V299	S254-L280 WeakPolarHBondContact O-CD2 3.49Å; L257-L280 HydrophobicContact CB-CD1 4.02Å; L257-L280 HydrophobicContact CB-CD2 3.93Å; L257-L280 HydrophobicContact CB-CG 4.04Å; L257-L280 HydrophobicContact CD1-CD2 4.3Å; L258-L280 HydrophobicContact CB-CD1 4.32Å; L258-L280 HydrophobicContact CD2-CD1 3.66Å; L258-L280 HydrophobicContact CG-CD1 3.65Å; L258-L280 HydrophobicContact CG-CD2 4.35Å; H276-L280 WeakPolarHBondContact O-CG 3.3Å; H276-L280 PolarHBondContact O-N 2.99Å; L277-L280 HydrophobicContact CD2-CD1 4.44Å; L277-L280 PolarHBondContact O-N 3.12Å; L280-R282 PolarHBondContact O-N 3.26Å; L280-R282 VanDerWaalsContact O-N 3.1Å; L280-A283 PolarHBondContact O-N 3.04Å; L280-A284 PolarHBondContact O-N 3.4Å; L280-I295 HydrophobicContact CD2-CG2 4.33Å; L280-V299 HydrophobicContact CB-CG2 3.53Å; L280-V299 HydrophobicContact CD1-CG2 4.16Å; L280-V299 HydrophobicContact CG-CG2 4.44Å
281	K	89.9	Confident	90.4	Very high	125 Å²	125	63.7 Å²	63.7	54%	0.543	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-27.1	175.1	-80.9	176.6	-177.4	178.4	0	113.3	L277 A279 V299	L277-K281 VanDerWaalsContact O-CG 3.32Å; L277-K281 WeakPolarHBondContact O-CG 3.1Å; L277-K281 PolarHBondContact O-N 3.47Å; A279-K281 PolarHBondContact O-N 3.32Å; K281-V299 HydrophobicContact CD-CG1 4.49Å; K281-V299 HydrophobicContact CG-CG1 3.59Å
282	R	84.3	Confident	90.4	Very high	206 Å²	206	58.4 Å²	58.4	78%	0.777	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-22.9	175.7	-69.3	-177.6	-87.4	114.9	-9.8	113.3	A279 L280	A279-R282 PolarHBondContact O-N 2.94Å; L280-R282 PolarHBondContact O-N 3.26Å; L280-R282 VanDerWaalsContact O-N 3.1Å
283	A	77.1	Confident	90.4	Very high	43 Å²	43	57.1 Å²	57.1	36%	0.355	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-22.2	178.5	0	0	0	0	0	113	L280	L280-A283 PolarHBondContact O-N 3.04Å
284	A	84.6	Confident	90.4	Very high	31 Å²	31	57.2 Å²	57.2	26%	0.256	31%	0.309	S	S	.	.			trans	-64.3	129.8	178.7	0	0	0	0	0	111.9	L280 I295 A296	L280-A284 PolarHBondContact O-N 3.4Å; A284-I295 HydrophobicContact CB-CG2 4.23Å; A284-A296 HydrophobicContact CB-CB 3.95Å
285	N	87.6	Confident	90.4	Very high	63 Å²	63	55.3 Å²	55.3	34%	0.337	29%	0.293	S	S	.	.			trans	-137.9	110.4	172.8	178.6	8.6	0	0	0	110.1	H287 G288 Q292	N285-H287 PolarHBondContact O-N 2.92Å; N285-H287 PolarHBondContact OD1-N 2.88Å; N285-G288 PolarHBondContact O-N 3.45Å; N285-G288 VanDerWaalsContact O-N 3.1Å; N285-Q292 HydrophobicContact CB-CB 4.11Å; N285-Q292 CarbonylContact O-C 3.57Å
286	Q	86.6	Confident	90.5	Very high	136 Å²	136	53.3 Å²	53.3	64%	0.636	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-12.8	-178.6	73	-175.2	23.9	0	0	114.3	R293	Q286-R293 WeakPolarHBondContact O-CD 3.41Å; Q286-R293 WeakPolarHBondContact O-CG 3.48Å
287	H	86.5	Confident	90.5	Very high	135 Å²	135	51.4 Å²	51.4	63%	0.625	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114	13.7	176.2	-45.4	109.7	0	0	0	112.1	N285	N285-H287 PolarHBondContact O-N 2.92Å; N285-H287 PolarHBondContact OD1-N 2.88Å
288	G	90	Very high	90.6	Very high	4 Å²	4	51.2 Å²	51.2	4%	0.041	27%	0.266	C	S	.	.	S	Bend	trans	-78.4	-162.6	-178.5	0	0	0	0	0	114.1	N285 R293	N285-G288 PolarHBondContact O-N 3.45Å; N285-G288 VanDerWaalsContact O-N 3.1Å; G288-R293 PolarHBondContact O-NE 3.29Å; G288-R293 VanDerWaalsContact O-NE 3.16Å
289	D	91.2	Very high	90.7	Very high	83 Å²	83	49 Å²	49	44%	0.444	25%	0.247	S	C	.	.			trans	-65.6	172	164.8	60.1	36.2	0	0	0	111.7	E291 Q292 R293	D289-E291 PolarHBondContact O-N 3.44Å; D289-E291 WeakPolarHBondContact OD1-CB 3.42Å; D289-E291 PolarHBondContact OD1-N 3.43Å; D289-E291 VanDerWaalsContact OD1-N 3.12Å; D289-Q292 PolarHBondContact O-N 3.41Å; D289-Q292 WeakPolarHBondContact OD1-CB 3.5Å; D289-Q292 WeakPolarHBondContact OD1-CG 3.46Å; D289-Q292 PolarHBondContact OD1-N 2.84Å; D289-R293 WeakPolarHBondContact O-CG 3.38Å; D289-R293 PolarHBondContact O-N 2.8Å; D289-R293 PolarHBondContact O-NE 3.19Å
290	A	93	Very high	90.8	Very high	11 Å²	11	50.3 Å²	50.3	9%	0.091	26%	0.258	C	S	.	.	H	α-helix	trans	-51.4	-38.5	177.9	0	0	0	0	0	113.2	R293 L294 L518 E519 D522	A290-R293 PolarHBondContact O-N 2.6Å; A290-L294 VanDerWaalsContact O-CB 3.29Å; A290-L294 WeakPolarHBondContact O-CB 3.38Å; A290-L294 PolarHBondContact O-N 3.12Å; A290-L518 HydrophobicContact CB-CB 4.06Å; A290-E519 HydrophobicContact CB-CG 3.97Å; A290-D522 WeakPolarHBondContact CB-OD2 3.23Å; A290-D522 PolarHBondContact N-OD2 2.89Å; A290-D522 VanDerWaalsContact N-OD2 3.16Å
291	E	92.6	Very high	90.9	Very high	34 Å²	34	50.2 Å²	50.2	16%	0.159	26%	0.257	C	S	.	.	H	α-helix	trans	-69.2	-45.7	-178.7	-179	64.4	-179.3	0	0	111.6	R255 D289 R293 L294 I295	R255-E291 WeakPolarHBondContact CG-OE1 3.44Å; R255-E291 IonicContact CZ-OE1 3.38Å; R255-E291 IonicContact CZ-OE2 2.66Å; R255-E291 VanDerWaalsContact CZ-OE2 3.23Å; R255-E291 VanDerWaalsContact NE-CD 3.33Å; R255-E291 IonicContact NE-OE1 3.43Å; R255-E291 PolarHBondContact NE-OE1 3.12Å; R255-E291 IonicContact NE-OE2 2.79Å; R255-E291 PolarHBondContact NE-OE2 3.3Å; R255-E291 VanDerWaalsContact NE-OE2 3.11Å; R255-E291 IonicContact NH2-OE1 2.82Å; R255-E291 IonicContact NH2-OE2 3.24Å; R255-E291 PolarHBondContact NH2-OE2 3.03Å; D289-E291 PolarHBondContact O-N 3.44Å; D289-E291 WeakPolarHBondContact OD1-CB 3.42Å; D289-E291 PolarHBondContact OD1-N 3.43Å; D289-E291 VanDerWaalsContact OD1-N 3.12Å; E291-R293 VanDerWaalsContact C-N 3.3Å; E291-R293 PolarHBondContact O-N 3.19Å; E291-L294 WeakPolarHBondContact O-CB 3.35Å; E291-L294 PolarHBondContact O-N 2.94Å; E291-I295 HydrophobicContact CG-CD1 4.05Å; E291-I295 WeakPolarHBondContact O-CD1 3.19Å; E291-I295 VanDerWaalsContact O-CG1 3.25Å; E291-I295 WeakPolarHBondContact O-CG1 3.42Å; E291-I295 PolarHBondContact O-N 3.44Å
292	Q	93.2	Very high	91.1	Very high	66 Å²	66	44.3 Å²	44.3	31%	0.308	23%	0.232	S	C	.	.	H	α-helix	trans	-63.2	-37.4	176.7	-72.2	179.1	-36.7	0	0	112.2	N285 D289 A296	N285-Q292 HydrophobicContact CB-CB 4.11Å; N285-Q292 CarbonylContact O-C 3.57Å; D289-Q292 PolarHBondContact O-N 3.41Å; D289-Q292 WeakPolarHBondContact OD1-CB 3.5Å; D289-Q292 WeakPolarHBondContact OD1-CG 3.46Å; D289-Q292 PolarHBondContact OD1-N 2.84Å; Q292-A296 WeakPolarHBondContact O-CB 3.47Å; Q292-A296 PolarHBondContact O-N 3Å
293	R	94.5	Very high	91.4	Very high	16 Å²	16	35.8 Å²	35.8	6%	0.06	20%	0.204	C	C	.	.	H	α-helix	trans	-71.2	-39.1	176	-69	-177	-66.7	119.3	1.7	111.8	Q286 G288 D289 A290 E291 A296 M297 L518 D522 E536	Q286-R293 WeakPolarHBondContact O-CD 3.41Å; Q286-R293 WeakPolarHBondContact O-CG 3.48Å; G288-R293 PolarHBondContact O-NE 3.29Å; G288-R293 VanDerWaalsContact O-NE 3.16Å; D289-R293 WeakPolarHBondContact O-CG 3.38Å; D289-R293 PolarHBondContact O-N 2.8Å; D289-R293 PolarHBondContact O-NE 3.19Å; A290-R293 PolarHBondContact O-N 2.6Å; E291-R293 VanDerWaalsContact C-N 3.3Å; E291-R293 PolarHBondContact O-N 3.19Å; R293-A296 PolarHBondContact O-N 2.93Å; R293-M297 WeakPolarHBondContact O-CB 3.3Å; R293-M297 PolarHBondContact O-N 3.12Å; R293-L518 HydrophobicContact CB-CD1 4.49Å; R293-D522 IonicContact CZ-OD1 3.21Å; R293-D522 IonicContact CZ-OD2 2.63Å; R293-D522 IonicContact NH2-OD1 3.15Å; R293-D522 PolarHBondContact NH2-OD1 3.07Å; R293-D522 IonicContact NH2-OD2 2.8Å; R293-D522 PolarHBondContact NH2-OD2 2.9Å; R293-E536 IonicContact CZ-OE1 2.81Å; R293-E536 IonicContact CZ-OE2 2.71Å; R293-E536 IonicContact NH1-OE1 3.8Å; R293-E536 PolarHBondContact NH1-OE1 3.48Å; R293-E536 IonicContact NH1-OE2 2.83Å; R293-E536 PolarHBondContact NH1-OE2 3.3Å; R293-E536 IonicContact NH2-OE1 3.62Å
294	L	95.8	Very high	91.9	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.01	19%	0.194	C	C	.	.	H	α-helix	trans	-59.5	-48.4	171.4	177.6	63.5	0	0	0	111.1	A290 E291 A296 M297 M298 L518	A290-L294 VanDerWaalsContact O-CB 3.29Å; A290-L294 WeakPolarHBondContact O-CB 3.38Å; A290-L294 PolarHBondContact O-N 3.12Å; E291-L294 WeakPolarHBondContact O-CB 3.35Å; E291-L294 PolarHBondContact O-N 2.94Å; L294-A296 VanDerWaalsContact C-N 3.33Å; L294-A296 PolarHBondContact O-N 2.79Å; L294-M297 WeakPolarHBondContact O-CB 3.37Å; L294-M297 PolarHBondContact O-N 3.25Å; L294-M298 HydrophobicContact CD1-CE 3.71Å; L294-M298 HydrophobicContact CD1-CG 4.02Å; L294-M298 HydrophobicContact CG-CG 4.41Å; L294-M298 WeakPolarHBondContact O-CB 3.48Å; L294-M298 WeakPolarHBondContact O-CG 3.27Å; L294-M298 PolarHBondContact O-N 3.04Å; L294-L518 HydrophobicContact CB-CD1 3.84Å; L294-L518 HydrophobicContact CD1-CD1 4.31Å
295	I	95	Very high	92.1	Very high	5 Å²	5	35.3 Å²	35.3	3%	0.026	19%	0.19	C	C	.	.	H	α-helix	trans	-58.8	-46.4	177.5	-67.7	160.1	0	0	0	110.2	S254 L258 L280 A284 E291 M297 M298 V299	S254-I295 VanDerWaalsContact CB-CD1 3.47Å; L258-I295 HydrophobicContact CD1-CG1 4.21Å; L280-I295 HydrophobicContact CD2-CG2 4.33Å; A284-I295 HydrophobicContact CB-CG2 4.23Å; E291-I295 HydrophobicContact CG-CD1 4.05Å; E291-I295 WeakPolarHBondContact O-CD1 3.19Å; E291-I295 VanDerWaalsContact O-CG1 3.25Å; E291-I295 WeakPolarHBondContact O-CG1 3.42Å; E291-I295 PolarHBondContact O-N 3.44Å; I295-M297 VanDerWaalsContact C-N 3.34Å; I295-M297 PolarHBondContact O-N 3.41Å; I295-M298 PolarHBondContact O-N 3.21Å; I295-V299 HydrophobicContact CG2-CG2 4.13Å; I295-V299 WeakPolarHBondContact O-CB 3.49Å; I295-V299 WeakPolarHBondContact O-CG2 3.44Å; I295-V299 PolarHBondContact O-N 3.24Å
296	A	94.7	Very high	92	Very high	21 Å²	21	34.4 Å²	34.4	17%	0.174	18%	0.184	C	C	.	.	H	α-helix	trans	-58.6	-45	177.1	0	0	0	0	0	112.4	A284 Q292 R293 L294 A300	A284-A296 HydrophobicContact CB-CB 3.95Å; Q292-A296 WeakPolarHBondContact O-CB 3.47Å; Q292-A296 PolarHBondContact O-N 3Å; R293-A296 PolarHBondContact O-N 2.93Å; L294-A296 VanDerWaalsContact C-N 3.33Å; L294-A296 PolarHBondContact O-N 2.79Å; A296-A300 WeakPolarHBondContact O-CB 3.45Å; A296-A300 PolarHBondContact O-N 3.21Å
297	M	95.4	Very high	91.4	Very high	10 Å²	10	31.5 Å²	31.5	5%	0.049	18%	0.184	C	C	.	.	H	α-helix	trans	-60.2	-49.1	177.1	-176.7	-170.5	-63.7	0	0	111.8	R293 L294 I295 A300 A301 Y514 L518 L539 S540 A543	R293-M297 WeakPolarHBondContact O-CB 3.3Å; R293-M297 PolarHBondContact O-N 3.12Å; L294-M297 WeakPolarHBondContact O-CB 3.37Å; L294-M297 PolarHBondContact O-N 3.25Å; I295-M297 VanDerWaalsContact C-N 3.34Å; I295-M297 PolarHBondContact O-N 3.41Å; M297-A300 PolarHBondContact O-N 3.12Å; M297-A301 PolarHBondContact O-N 3.31Å; M297-Y514 HydrophobicContact SD-CG 4.2Å; M297-L518 HydrophobicContact CE-CD1 3.92Å; M297-L518 HydrophobicContact CE-CD2 4.2Å; M297-L518 HydrophobicContact CE-CG 4.36Å; M297-L539 HydrophobicContact CE-CB 4.39Å; M297-L539 HydrophobicContact CE-CD2 4.1Å; M297-L539 HydrophobicContact CE-CG 4.12Å; M297-S540 WeakPolarHBondContact CE-OG 3.37Å; M297-A543 HydrophobicContact CG-CB 3.79Å; M297-A543 HydrophobicContact SD-CB 3.45Å; M297-A543 WeakPolarHBondContact SD-CB 3.47Å
298	M	95.8	Very high	90.3	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-69.7	-38.6	-177.9	-68.6	-54.8	139.4	0	0	112.5	L258 L294 I295 A300 A301 L302 F507 C511 Y514 A543	L258-M298 HydrophobicContact CD1-CB 3.89Å; L258-M298 HydrophobicContact CD1-CG 4.47Å; L258-M298 HydrophobicContact CD2-CB 3.76Å; L258-M298 HydrophobicContact CG-CB 4.5Å; L294-M298 HydrophobicContact CD1-CE 3.71Å; L294-M298 HydrophobicContact CD1-CG 4.02Å; L294-M298 HydrophobicContact CG-CG 4.41Å; L294-M298 WeakPolarHBondContact O-CB 3.48Å; L294-M298 WeakPolarHBondContact O-CG 3.27Å; L294-M298 PolarHBondContact O-N 3.04Å; I295-M298 PolarHBondContact O-N 3.21Å; M298-A300 VanDerWaalsContact C-N 3.32Å; M298-A300 PolarHBondContact O-N 2.79Å; M298-A301 PolarHBondContact O-N 3.43Å; M298-L302 WeakPolarHBondContact O-CG 3.43Å; M298-L302 PolarHBondContact O-N 2.9Å; M298-F507 HydrophobicContact CB-CE2 3.94Å; M298-F507 HydrophobicContact CB-CZ 4.21Å; M298-F507 HydrophobicContact CG-CE2 4.08Å; M298-F507 HydrophobicContact CG-CZ 4.29Å; M298-F507 HydrophobicContact SD-CD2 4.49Å; M298-F507 HydrophobicContact SD-CE2 3.82Å; M298-F507 HydrophobicContact SD-CZ 4.47Å; M298-C511 HydrophobicContact SD-CB 4.46Å; M298-Y514 HydrophobicContact CE-CD2 3.55Å; M298-Y514 HydrophobicContact CE-CG 4.15Å; M298-A543 HydrophobicContact CE-CB 4.21Å
299	V	94.8	Very high	88.8	Confident	7 Å²	7	31.4 Å²	31.4	4%	0.042	20%	0.199	C	C	.	.	H	α-helix	trans	-60.5	-43.7	173.5	166.7	0	0	0	0	110.8	L258 L277 L280 K281 I295 S303	L258-V299 HydrophobicContact CD2-CG2 3.99Å; L277-V299 HydrophobicContact CD2-CG1 4.44Å; L277-V299 HydrophobicContact CD2-CG2 4.34Å; L280-V299 HydrophobicContact CB-CG2 3.53Å; L280-V299 HydrophobicContact CD1-CG2 4.16Å; L280-V299 HydrophobicContact CG-CG2 4.44Å; K281-V299 HydrophobicContact CD-CG1 4.49Å; K281-V299 HydrophobicContact CG-CG1 3.59Å; I295-V299 HydrophobicContact CG2-CG2 4.13Å; I295-V299 WeakPolarHBondContact O-CB 3.49Å; I295-V299 WeakPolarHBondContact O-CG2 3.44Å; I295-V299 PolarHBondContact O-N 3.24Å; V299-S303 WeakPolarHBondContact O-CB 3.37Å; V299-S303 PolarHBondContact O-N 3.29Å; V299-S303 PolarHBondContact O-OG 2.86Å
300	A	92	Very high	87.2	Confident	57 Å²	57	32.7 Å²	32.7	47%	0.471	22%	0.221	S	C	.	.	H	α-helix	trans	-63.2	-45	176.8	0	0	0	0	0	111.5	A296 M297 M298 S303 S304	A296-A300 WeakPolarHBondContact O-CB 3.45Å; A296-A300 PolarHBondContact O-N 3.21Å; M297-A300 PolarHBondContact O-N 3.12Å; M298-A300 VanDerWaalsContact C-N 3.32Å; M298-A300 PolarHBondContact O-N 2.79Å; A300-S303 PolarHBondContact O-N 3.5Å; A300-S304 PolarHBondContact O-N 3.18Å; A300-S304 VanDerWaalsContact O-N 3.07Å
301	A	93.5	Very high	85.5	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-58.8	-51.9	178.1	0	0	0	0	0	112.2	M297 M298 S304 A544 V547	M297-A301 PolarHBondContact O-N 3.31Å; M298-A301 PolarHBondContact O-N 3.43Å; A301-S304 PolarHBondContact O-N 3.4Å; A301-S304 PolarHBondContact O-OG 3.16Å; A301-A544 HydrophobicContact CB-CB 4.39Å; A301-V547 HydrophobicContact CB-CB 4.06Å; A301-V547 HydrophobicContact CB-CG1 4.02Å
302	L	94.4	Very high	84.1	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-68	-38.7	179.5	-66.8	178.7	0	0	0	112.3	L258 A261 A262 I265 L277 M298 S304 R305 F507 V547	L258-L302 HydrophobicContact CD2-CD1 4.03Å; A261-L302 HydrophobicContact CB-CD1 4.12Å; A262-L302 HydrophobicContact CB-CD1 4.39Å; A262-L302 HydrophobicContact CB-CD2 4.2Å; I265-L302 HydrophobicContact CD1-CB 4Å; I265-L302 HydrophobicContact CD1-CD2 3.96Å; I265-L302 HydrophobicContact CD1-CG 4.46Å; L277-L302 HydrophobicContact CD1-CB 4.05Å; L277-L302 HydrophobicContact CD2-CB 3.82Å; L277-L302 HydrophobicContact CD2-CD1 4.07Å; M298-L302 WeakPolarHBondContact O-CG 3.43Å; M298-L302 PolarHBondContact O-N 2.9Å; L302-S304 PolarHBondContact O-N 2.74Å; L302-R305 WeakPolarHBondContact O-CB 3.44Å; L302-R305 PolarHBondContact O-N 2.94Å; L302-R305 VanDerWaalsContact O-N 3.08Å; L302-F507 HydrophobicContact CD1-CD2 4.05Å; L302-F507 HydrophobicContact CD1-CE2 3.66Å; L302-F507 HydrophobicContact CD1-CZ 4.18Å; L302-F507 HydrophobicContact CD2-CD2 3.79Å; L302-F507 HydrophobicContact CD2-CE2 4.19Å; L302-F507 HydrophobicContact CG-CD2 4.09Å; L302-F507 HydrophobicContact CG-CE2 3.96Å; L302-V547 HydrophobicContact CD2-CG1 3.93Å
303	S	91.9	Very high	83	Confident	27 Å²	27	34.6 Å²	34.6	19%	0.189	25%	0.246	C	C	.	.	H	α-helix	trans	-59.1	-37.4	176.3	-63.8	0	0	0	0	111.8	V299 A300 R305 I306 A307	V299-S303 WeakPolarHBondContact O-CB 3.37Å; V299-S303 PolarHBondContact O-N 3.29Å; V299-S303 PolarHBondContact O-OG 2.86Å; A300-S303 PolarHBondContact O-N 3.5Å; S303-R305 PolarHBondContact O-N 2.98Å; S303-I306 PolarHBondContact O-N 2.97Å; S303-A307 PolarHBondContact O-N 2.84Å
304	S	88	Confident	82.2	Confident	23 Å²	23	38.1 Å²	38.1	16%	0.161	27%	0.273	C	S	.	.	H	α-helix	trans	-65.7	-15.4	179.5	81.1	0	0	0	0	114.3	A300 A301 L302 R549	A300-S304 PolarHBondContact O-N 3.18Å; A300-S304 VanDerWaalsContact O-N 3.07Å; A301-S304 PolarHBondContact O-N 3.4Å; A301-S304 PolarHBondContact O-OG 3.16Å; L302-S304 PolarHBondContact O-N 2.74Å; S304-R549 PolarHBondContact O-NH1 3.22Å; S304-R549 VanDerWaalsContact O-NH1 3.1Å
305	R	88.4	Confident	81.7	Confident	42 Å²	42	43.4 Å²	43.4	16%	0.158	30%	0.297	C	S	.	.	H	α-helix	trans	-84.9	-39.2	176.1	-60.7	-173.1	84.4	87.2	-0.6	113	I265 L302 S303 V547 G548 R549 D550	I265-R305 HydrophobicContact CG2-CB 4.47Å; L302-R305 WeakPolarHBondContact O-CB 3.44Å; L302-R305 PolarHBondContact O-N 2.94Å; L302-R305 VanDerWaalsContact O-N 3.08Å; S303-R305 PolarHBondContact O-N 2.98Å; R305-V547 VanDerWaalsContact CD-O 3.27Å; R305-V547 WeakPolarHBondContact CD-O 3.37Å; R305-V547 VanDerWaalsContact NH1-C 3.29Å; R305-V547 PolarHBondContact NH1-O 2.87Å; R305-G548 WeakPolarHBondContact CG-O 3.48Å; R305-G548 VanDerWaalsContact NH1-CA 3.32Å; R305-G548 PolarHBondContact NH1-O 2.83Å; R305-R549 VanDerWaalsContact NH1-N 3.11Å; R305-R549 PolarHBondContact NH1-O 2.86Å; R305-D550 IonicContact CZ-OD1 2.87Å; R305-D550 IonicContact CZ-OD2 2.61Å; R305-D550 IonicContact NH1-OD1 3.35Å; R305-D550 IonicContact NH2-OD1 3.64Å; R305-D550 PolarHBondContact NH2-OD1 3.36Å; R305-D550 IonicContact NH2-OD2 2.98Å; R305-D550 PolarHBondContact NH2-OD2 3.3Å
306	I	85.8	Confident	81.3	Confident	43 Å²	43	46.8 Å²	46.8	22%	0.221	32%	0.315	C	S	.	.	H	α-helix	trans	-80.4	-38	-173.1	-56.5	171.5	0	0	0	111.3	I265 H270 A273 L277 S303 P308	I265-I306 HydrophobicContact CD1-CD1 3.85Å; I265-I306 HydrophobicContact CD1-CG1 3.84Å; I265-I306 HydrophobicContact CG1-CD1 3.85Å; I265-I306 HydrophobicContact CG1-CG1 3.79Å; H270-I306 HydrophobicContact CB-CG2 4.06Å; A273-I306 HydrophobicContact CB-CD1 3.55Å; L277-I306 HydrophobicContact CD1-CD1 3.53Å; S303-I306 PolarHBondContact O-N 2.97Å; I306-P308 VanDerWaalsContact C-CD 3.45Å; I306-P308 WeakPolarHBondContact O-CD 3.47Å
307	A	72.3	Confident	81.1	Confident	76 Å²	76	47.4 Å²	47.4	63%	0.628	32%	0.316	S	S	*	.			trans	-123.8	70.8	-175.8	0	0	0	0	0	111.2	S303 A309	S303-A307 PolarHBondContact O-N 2.84Å; A307-A309 PolarHBondContact O-N 2.92Å
308	P	64.8	Low	81	Confident	79 Å²	79	49.5 Å²	49.5	51%	0.513	34%	0.335	S	S	.	.			trans	-67.4	101.7	172.5	27.6	-30.8	0	0	0	108.8	I306	I306-P308 VanDerWaalsContact C-CD 3.45Å; I306-P308 WeakPolarHBondContact O-CD 3.47Å
309	A	58.9	Low	80.9	Confident	57 Å²	57	52.1 Å²	52.1	47%	0.471	35%	0.348	S	S	.	.			trans	-61.1	139.2	167	0	0	0	0	0	108.5	A307 S311 A312 P313	A307-A309 PolarHBondContact O-N 2.92Å; A309-S311 PolarHBondContact O-N 2.81Å; A309-A312 HydrophobicContact CB-CB 3.9Å; A309-A312 WeakPolarHBondContact O-CB 3.34Å; A309-A312 PolarHBondContact O-N 3.06Å; A309-P313 WeakPolarHBondContact O-CD 3.34Å
310	A	55.6	Low	80.9	Confident	110 Å²	110	52 Å²	52	91%	0.909	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-27.9	-170.2	0	0	0	0	0	114.8
311	S	58	Low	81.1	Confident	92 Å²	92	50.1 Å²	50.1	64%	0.643	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-14	176.6	56.3	0	0	0	0	114.9	A309 Q315	A309-S311 PolarHBondContact O-N 2.81Å; S311-Q315 PolarHBondContact O-N 3.07Å
312	A	64.4	Low	81.2	Confident	28 Å²	28	51.3 Å²	51.3	23%	0.231	34%	0.339	C	S	.	.	H	α-helix	trans	-66	-35.3	-173.9	0	0	0	0	0	114.5	A309 L316	A309-A312 HydrophobicContact CB-CB 3.9Å; A309-A312 WeakPolarHBondContact O-CB 3.34Å; A309-A312 PolarHBondContact O-N 3.06Å; A312-L316 HydrophobicContact CB-CD1 4.39Å; A312-L316 WeakPolarHBondContact O-CB 3.31Å; A312-L316 WeakPolarHBondContact O-CD1 3.49Å; A312-L316 VanDerWaalsContact O-CG 3.26Å; A312-L316 WeakPolarHBondContact O-CG 3.48Å; A312-L316 PolarHBondContact O-N 2.89Å
313	P	69.3	Low	81.3	Confident	32 Å²	32	54.4 Å²	54.4	21%	0.208	36%	0.358	C	S	.	.	H	α-helix	trans	-58.8	-51	179.1	-26.7	34.3	0	0	0	112.8	A309 Q315 L316 L317	A309-P313 WeakPolarHBondContact O-CD 3.34Å; P313-Q315 PolarHBondContact O-N 3.43Å; P313-L316 PolarHBondContact O-N 3.16Å; P313-L317 WeakPolarHBondContact O-CG 3.28Å; P313-L317 PolarHBondContact O-N 2.93Å; P313-L317 VanDerWaalsContact O-N 3.11Å
314	S	78.3	Confident	81.6	Confident	90 Å²	90	58.5 Å²	58.5	63%	0.629	37%	0.374	S	S	*	.	H	α-helix	trans	-64.6	-40.9	-178.1	-54.8	0	0	0	0	112.8	L317 A318	S314-L317 PolarHBondContact O-N 2.76Å; S314-A318 WeakPolarHBondContact O-CB 3.45Å; S314-A318 PolarHBondContact O-N 2.79Å
315	Q	84.2	Confident	82	Confident	112 Å²	112	57.6 Å²	57.6	52%	0.523	37%	0.367	S	S	.	.	H	α-helix	trans	-67	-43.6	179.1	-173	63	41.1	0	0	111.6	S311 P313 L317 A318 D319	S311-Q315 PolarHBondContact O-N 3.07Å; P313-Q315 PolarHBondContact O-N 3.43Å; Q315-L317 VanDerWaalsContact C-N 3.28Å; Q315-L317 PolarHBondContact O-N 3.19Å; Q315-A318 PolarHBondContact O-N 2.75Å; Q315-D319 PolarHBondContact NE2-OD1 3Å; Q315-D319 WeakPolarHBondContact O-CB 3.28Å; Q315-D319 PolarHBondContact O-N 2.9Å
316	L	86.7	Confident	82.4	Confident	76 Å²	76	56.9 Å²	56.9	40%	0.398	36%	0.364	S	S	.	.	H	α-helix	trans	-65	-34.3	179.8	-73.7	167.3	0	0	0	112.1	A312 P313 L320	A312-L316 HydrophobicContact CB-CD1 4.39Å; A312-L316 WeakPolarHBondContact O-CB 3.31Å; A312-L316 WeakPolarHBondContact O-CD1 3.49Å; A312-L316 VanDerWaalsContact O-CG 3.26Å; A312-L316 WeakPolarHBondContact O-CG 3.48Å; A312-L316 PolarHBondContact O-N 2.89Å; P313-L316 PolarHBondContact O-N 3.16Å; L316-L320 WeakPolarHBondContact O-CB 3.35Å; L316-L320 PolarHBondContact O-N 3.04Å; L316-L320 VanDerWaalsContact O-N 3.08Å
317	L	91.1	Very high	82.8	Confident	35 Å²	35	56.2 Å²	56.2	18%	0.183	37%	0.366	C	S	.	.	H	α-helix	trans	-69.4	-43.7	172.1	-67.6	176.2	0	0	0	111.8	P313 S314 Q315 D319 L320 C321 D553 L555	P313-L317 WeakPolarHBondContact O-CG 3.28Å; P313-L317 PolarHBondContact O-N 2.93Å; P313-L317 VanDerWaalsContact O-N 3.11Å; S314-L317 PolarHBondContact O-N 2.76Å; Q315-L317 VanDerWaalsContact C-N 3.28Å; Q315-L317 PolarHBondContact O-N 3.19Å; L317-D319 VanDerWaalsContact C-N 3.32Å; L317-D319 PolarHBondContact O-N 3.06Å; L317-L320 PolarHBondContact O-N 2.81Å; L317-C321 PolarHBondContact O-N 2.96Å; L317-C321 PolarHBondContact O-SG 3.18Å; L317-D553 HydrophobicContact CD1-CB 4.42Å; L317-D553 WeakPolarHBondContact CD2-O 3.25Å; L317-L555 HydrophobicContact CD2-CD1 3.88Å; L317-L555 HydrophobicContact CD2-CG 4.06Å
318	A	92.4	Very high	84	Confident	54 Å²	54	52.6 Å²	52.6	45%	0.446	34%	0.336	S	S	.	.	H	α-helix	trans	-59.8	-43.2	175.6	0	0	0	0	0	111.8	S314 Q315 L320 C321 S322	S314-A318 WeakPolarHBondContact O-CB 3.45Å; S314-A318 PolarHBondContact O-N 2.79Å; Q315-A318 PolarHBondContact O-N 2.75Å; A318-L320 VanDerWaalsContact C-N 3.3Å; A318-L320 PolarHBondContact O-N 3.46Å; A318-C321 PolarHBondContact O-N 3.3Å; A318-S322 PolarHBondContact O-N 2.8Å; A318-S322 VanDerWaalsContact O-N 3.11Å
319	D	93.6	Very high	85.5	Confident	54 Å²	54	49.6 Å²	49.6	29%	0.289	32%	0.317	S	S	.	.	H	α-helix	trans	-67.9	-28.4	177.6	-68.3	-13.5	0	0	0	112.9	Q315 L317 Q325 K541	Q315-D319 PolarHBondContact NE2-OD1 3Å; Q315-D319 WeakPolarHBondContact O-CB 3.28Å; Q315-D319 PolarHBondContact O-N 2.9Å; L317-D319 VanDerWaalsContact C-N 3.32Å; L317-D319 PolarHBondContact O-N 3.06Å; D319-Q325 VanDerWaalsContact O-CB 3.3Å; D319-Q325 WeakPolarHBondContact O-CB 3.29Å; D319-K541 HydrophobicContact CB-CD 4.25Å; D319-K541 PolarHBondContact O-NZ 2.88Å
320	L	95.3	Very high	87.2	Confident	6 Å²	6	48.5 Å²	48.5	3%	0.031	30%	0.302	C	S	.	.	H	α-helix	trans	-75.9	-28	175.1	-174.9	67.5	0	0	0	111.8	L316 L317 A318 Q325 F401 K541 K542 N545 L555 E556	L316-L320 WeakPolarHBondContact O-CB 3.35Å; L316-L320 PolarHBondContact O-N 3.04Å; L316-L320 VanDerWaalsContact O-N 3.08Å; L317-L320 PolarHBondContact O-N 2.81Å; A318-L320 VanDerWaalsContact C-N 3.3Å; A318-L320 PolarHBondContact O-N 3.46Å; L320-Q325 HydrophobicContact CD1-CG 4.45Å; L320-Q325 WeakPolarHBondContact O-CG 3.1Å; L320-F401 HydrophobicContact CG-CE1 4.39Å; L320-K541 HydrophobicContact CD1-CB 4.09Å; L320-K542 HydrophobicContact CD1-CG 4.31Å; L320-N545 HydrophobicContact CD2-CB 3.58Å; L320-N545 VanDerWaalsContact CD2-CG 3.48Å; L320-L555 HydrophobicContact CD2-CB 4.09Å; L320-L555 HydrophobicContact CD2-CD1 4.24Å; L320-E556 HydrophobicContact CD2-CG 4.42Å
321	C	96.1	Very high	89.1	Confident	16 Å²	16	44.9 Å²	44.9	11%	0.108	27%	0.267	C	S	.	.	S	Bend	trans	-97	0.9	-178.1	-63.3	0	0	0	0	113.3	L317 A318 P400 F401 S404	L317-C321 PolarHBondContact O-N 2.96Å; L317-C321 PolarHBondContact O-SG 3.18Å; A318-C321 PolarHBondContact O-N 3.3Å; C321-P400 WeakPolarHBondContact CB-O 3.35Å; C321-F401 HydrophobicContact CB-CD1 4.43Å; C321-S404 WeakPolarHBondContact O-CB 3.49Å; C321-S404 PolarHBondContact O-OG 3.39Å
322	S	96.6	Very high	90.8	Very high	25 Å²	25	40.8 Å²	40.8	18%	0.175	24%	0.238	C	C	.	.	S	Bend	trans	-70.9	160.9	-173.8	98.9	0	0	0	0	113.7	A318 E324 Q325 R326 S404	A318-S322 PolarHBondContact O-N 2.8Å; A318-S322 VanDerWaalsContact O-N 3.11Å; S322-E324 VanDerWaalsContact C-N 3.28Å; S322-E324 VanDerWaalsContact CB-OE2 3.3Å; S322-E324 WeakPolarHBondContact CB-OE2 3.49Å; S322-E324 PolarHBondContact O-N 3.37Å; S322-E324 PolarHBondContact OG-N 2.85Å; S322-E324 PolarHBondContact OG-OE2 2.62Å; S322-Q325 PolarHBondContact O-N 3.45Å; S322-Q325 PolarHBondContact OG-N 3.4Å; S322-R326 PolarHBondContact O-N 3.17Å; S322-S404 WeakPolarHBondContact O-CB 3.24Å
323	V	96.6	Very high	92.3	Very high	65 Å²	65	40.3 Å²	40.3	39%	0.394	23%	0.231	S	C	.	.	H	α-helix	trans	-62.7	-38.2	175.4	179.6	0	0	0	0	110.9	Q325 R326 A327 A407	V323-Q325 VanDerWaalsContact C-N 3.31Å; V323-Q325 PolarHBondContact O-N 3.34Å; V323-R326 PolarHBondContact O-N 3.2Å; V323-A327 WeakPolarHBondContact O-CB 3.34Å; V323-A327 PolarHBondContact O-N 3.46Å; V323-A407 HydrophobicContact CG2-CB 3.91Å
324	E	96.2	Very high	93.3	Very high	114 Å²	114	42 Å²	42	53%	0.533	24%	0.238	S	C	.	.	H	α-helix	trans	-64.4	-39	178.6	-59.8	71.7	-154.9	0	0	111.6	S322 A327 G328	S322-E324 VanDerWaalsContact C-N 3.28Å; S322-E324 VanDerWaalsContact CB-OE2 3.3Å; S322-E324 WeakPolarHBondContact CB-OE2 3.49Å; S322-E324 PolarHBondContact O-N 3.37Å; S322-E324 PolarHBondContact OG-N 2.85Å; S322-E324 PolarHBondContact OG-OE2 2.62Å; E324-A327 PolarHBondContact O-N 2.95Å; E324-G328 PolarHBondContact O-N 3.03Å
325	Q	97	Very high	93.9	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.019	21%	0.213	C	C	.	.	H	α-helix	trans	-68.2	-42.6	177.3	178.9	61.8	17	0	0	112.2	D319 L320 S322 V323 G328 S329 A538	D319-Q325 VanDerWaalsContact O-CB 3.3Å; D319-Q325 WeakPolarHBondContact O-CB 3.29Å; L320-Q325 HydrophobicContact CD1-CG 4.45Å; L320-Q325 WeakPolarHBondContact O-CG 3.1Å; S322-Q325 PolarHBondContact O-N 3.45Å; S322-Q325 PolarHBondContact OG-N 3.4Å; V323-Q325 VanDerWaalsContact C-N 3.31Å; V323-Q325 PolarHBondContact O-N 3.34Å; Q325-G328 PolarHBondContact O-N 3.28Å; Q325-S329 WeakPolarHBondContact O-CB 3.2Å; Q325-S329 PolarHBondContact O-N 3.4Å; Q325-S329 PolarHBondContact O-OG 3.09Å; Q325-A538 PolarHBondContact NE2-O 3.18Å; Q325-A538 VanDerWaalsContact OE1-CA 3.25Å
326	R	96.4	Very high	94.3	Very high	26 Å²	26	33.3 Å²	33.3	10%	0.098	19%	0.188	C	C	.	.	H	α-helix	trans	-57.6	-49.7	172	178.8	180	-175.7	69.8	12.6	111	S322 V323 G328 S329 Q330 D366 V367 S404 L405 S408	S322-R326 PolarHBondContact O-N 3.17Å; V323-R326 PolarHBondContact O-N 3.2Å; R326-G328 VanDerWaalsContact C-N 3.33Å; R326-G328 PolarHBondContact O-N 3.34Å; R326-S329 WeakPolarHBondContact O-CB 3.48Å; R326-S329 PolarHBondContact O-N 3.12Å; R326-S329 VanDerWaalsContact O-N 3.11Å; R326-Q330 PolarHBondContact O-N 3.24Å; R326-D366 IonicContact CZ-OD1 2.8Å; R326-D366 IonicContact NH1-OD1 2.79Å; R326-D366 PolarHBondContact NH1-OD1 2.9Å; R326-D366 IonicContact NH2-OD1 2.67Å; R326-D366 PolarHBondContact NH2-OD1 2.87Å; R326-V367 PolarHBondContact NH2-O 3.07Å; R326-V367 VanDerWaalsContact NH2-O 3.14Å; R326-S404 VanDerWaalsContact CD-C 3.48Å; R326-S404 WeakPolarHBondContact CD-O 3.44Å; R326-L405 VanDerWaalsContact CZ-CD1 3.49Å; R326-S408 PolarHBondContact NE-OG 2.7Å
327	A	95.7	Very high	94.5	Very high	30 Å²	30	29.9 Å²	29.9	25%	0.248	17%	0.17	C	C	.	.	H	α-helix	trans	-60.9	-40.6	179	0	0	0	0	0	112.4	V323 E324 S329 Q330 L331	V323-A327 WeakPolarHBondContact O-CB 3.34Å; V323-A327 PolarHBondContact O-N 3.46Å; E324-A327 PolarHBondContact O-N 2.95Å; A327-S329 VanDerWaalsContact C-N 3.34Å; A327-Q330 PolarHBondContact O-N 3.12Å; A327-L331 WeakPolarHBondContact O-CG 3.48Å; A327-L331 PolarHBondContact O-N 3.23Å
328	G	96.6	Very high	94.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-64.8	-36.5	173.9	0	0	0	0	0	113.2	E324 Q325 R326 L331 L332 A535	E324-G328 PolarHBondContact O-N 3.03Å; Q325-G328 PolarHBondContact O-N 3.28Å; R326-G328 VanDerWaalsContact C-N 3.33Å; R326-G328 PolarHBondContact O-N 3.34Å; G328-L331 PolarHBondContact O-N 2.87Å; G328-L332 PolarHBondContact O-N 3.2Å; G328-A535 WeakPolarHBondContact O-CA 3.45Å
329	S	96.3	Very high	94.7	Very high	16 Å²	16	25.9 Å²	25.9	11%	0.112	14%	0.141	C	C	.	.	H	α-helix	trans	-68.9	-40	176.2	-55.8	0	0	0	0	112.1	Q325 R326 A327 L332 Q333 K542	Q325-S329 WeakPolarHBondContact O-CB 3.2Å; Q325-S329 PolarHBondContact O-N 3.4Å; Q325-S329 PolarHBondContact O-OG 3.09Å; R326-S329 WeakPolarHBondContact O-CB 3.48Å; R326-S329 PolarHBondContact O-N 3.12Å; R326-S329 VanDerWaalsContact O-N 3.11Å; A327-S329 VanDerWaalsContact C-N 3.34Å; S329-L332 WeakPolarHBondContact O-CB 3.46Å; S329-L332 PolarHBondContact O-N 2.9Å; S329-Q333 WeakPolarHBondContact O-CG 3.25Å; S329-Q333 PolarHBondContact O-N 2.88Å; S329-Q333 VanDerWaalsContact O-N 3.1Å; S329-K542 VanDerWaalsContact OG-CE 3.28Å; S329-K542 WeakPolarHBondContact OG-CE 3.33Å
330	Q	95.5	Very high	94.7	Very high	34 Å²	34	26.5 Å²	26.5	16%	0.159	14%	0.139	C	C	.	.	H	α-helix	trans	-67.7	-34.9	173.7	-71.6	-173.8	-24.1	0	0	112.2	R326 A327 Q333 D334 V367	R326-Q330 PolarHBondContact O-N 3.24Å; A327-Q330 PolarHBondContact O-N 3.12Å; Q330-Q333 WeakPolarHBondContact O-CB 3.2Å; Q330-Q333 PolarHBondContact O-N 3.17Å; Q330-D334 PolarHBondContact O-N 3.37Å; Q330-D334 VanDerWaalsContact O-N 3.13Å; Q330-V367 PolarHBondContact NE2-O 3.47Å
331	L	94.4	Very high	94.5	Very high	34 Å²	34	26.2 Å²	26.2	18%	0.178	14%	0.138	C	C	.	.	H	α-helix	trans	-62.1	-44.5	170.9	-77.6	170.2	0	0	0	111.3	A327 G328 Q333 D334 L335 E531 R534 A535	A327-L331 WeakPolarHBondContact O-CG 3.48Å; A327-L331 PolarHBondContact O-N 3.23Å; G328-L331 PolarHBondContact O-N 2.87Å; L331-Q333 PolarHBondContact O-N 2.99Å; L331-D334 PolarHBondContact O-N 3.12Å; L331-D334 VanDerWaalsContact O-N 3.13Å; L331-L335 HydrophobicContact CB-CD1 4.43Å; L331-L335 WeakPolarHBondContact O-CB 3.38Å; L331-L335 WeakPolarHBondContact O-CG 3.33Å; L331-L335 PolarHBondContact O-N 3.44Å; L331-E531 HydrophobicContact CD1-CB 4.36Å; L331-E531 HydrophobicContact CD2-CB 4.28Å; L331-E531 HydrophobicContact CD2-CG 4.4Å; L331-R534 HydrophobicContact CD1-CB 4.22Å; L331-R534 HydrophobicContact CD1-CG 4.08Å; L331-A535 HydrophobicContact CB-CB 4.34Å
332	L	94.9	Very high	94.5	Very high	6 Å²	6	25.4 Å²	25.4	3%	0.031	13%	0.133	C	C	.	.	H	α-helix	trans	-55.3	-43.3	174	175.6	66.6	0	0	0	111.6	G328 S329 D334 L335 S336 F339 I517 L521 A535 L539	G328-L332 PolarHBondContact O-N 3.2Å; S329-L332 WeakPolarHBondContact O-CB 3.46Å; S329-L332 PolarHBondContact O-N 2.9Å; L332-D334 VanDerWaalsContact C-N 3.28Å; L332-D334 PolarHBondContact O-N 3.13Å; L332-L335 PolarHBondContact O-N 3.24Å; L332-S336 WeakPolarHBondContact O-CB 3.38Å; L332-S336 PolarHBondContact O-N 2.99Å; L332-F339 HydrophobicContact CD2-CE1 4.34Å; L332-F339 HydrophobicContact CD2-CE2 4.27Å; L332-F339 HydrophobicContact CD2-CZ 4.04Å; L332-F339 HydrophobicContact CG-CD2 4.4Å; L332-F339 HydrophobicContact CG-CE2 4.29Å; L332-F339 HydrophobicContact CG-CZ 4.48Å; L332-I517 HydrophobicContact CD1-CG2 3.77Å; L332-L521 HydrophobicContact CD1-CD1 3.92Å; L332-L521 HydrophobicContact CD1-CD2 4.28Å; L332-L521 HydrophobicContact CD1-CG 4.46Å; L332-A535 HydrophobicContact CB-CB 4.04Å; L332-L539 HydrophobicContact CD2-CD1 3.83Å
333	Q	94.6	Very high	94.4	Very high	17 Å²	17	24.6 Å²	24.6	8%	0.079	13%	0.126	C	C	.	.	H	α-helix	trans	-61.7	-34.8	179.3	-71.7	168.6	2.8	0	0	113	S329 Q330 L331 F339 R340 L343 F458	S329-Q333 WeakPolarHBondContact O-CG 3.25Å; S329-Q333 PolarHBondContact O-N 2.88Å; S329-Q333 VanDerWaalsContact O-N 3.1Å; Q330-Q333 WeakPolarHBondContact O-CB 3.2Å; Q330-Q333 PolarHBondContact O-N 3.17Å; L331-Q333 PolarHBondContact O-N 2.99Å; Q333-F339 HydrophobicContact CB-CB 4.33Å; Q333-F339 HydrophobicContact CG-CB 4.44Å; Q333-F339 HydrophobicContact CG-CD1 4.24Å; Q333-R340 WeakPolarHBondContact O-CA 3.48Å; Q333-R340 WeakPolarHBondContact O-CB 3.45Å; Q333-R340 PolarHBondContact O-N 2.79Å; Q333-L343 HydrophobicContact CB-CD1 3.85Å; Q333-L343 HydrophobicContact CG-CD1 4.23Å; Q333-F458 HydrophobicContact CG-CD2 4.29Å; Q333-F458 HydrophobicContact CG-CE2 4.07Å; Q333-F458 VanDerWaalsContact NE2-CD2 3.34Å
334	D	90.8	Very high	94.3	Very high	67 Å²	67	22.7 Å²	22.7	36%	0.358	11%	0.113	S	C	.	.	H	α-helix	trans	-83.1	-36.3	179.2	-167	23.9	0	0	0	112.7	Q330 L331 L332 R340 P370	Q330-D334 PolarHBondContact O-N 3.37Å; Q330-D334 VanDerWaalsContact O-N 3.13Å; L331-D334 PolarHBondContact O-N 3.12Å; L331-D334 VanDerWaalsContact O-N 3.13Å; L332-D334 VanDerWaalsContact C-N 3.28Å; L332-D334 PolarHBondContact O-N 3.13Å; D334-R340 WeakPolarHBondContact O-CD 3.41Å; D334-R340 PolarHBondContact O-NH1 2.67Å; D334-P370 HydrophobicContact CB-CG 4.44Å
335	L	91	Very high	94.2	Very high	21 Å²	21	17.3 Å²	17.3	11%	0.11	9%	0.088	C	C	.	.	H	α-helix	trans	-79.6	-40.7	-173.4	-76.2	-178.1	0	0	0	113.6	L331 L332 L521 L525 E531 A535	L331-L335 HydrophobicContact CB-CD1 4.43Å; L331-L335 WeakPolarHBondContact O-CB 3.38Å; L331-L335 WeakPolarHBondContact O-CG 3.33Å; L331-L335 PolarHBondContact O-N 3.44Å; L332-L335 PolarHBondContact O-N 3.24Å; L335-L521 HydrophobicContact CB-CD2 4.15Å; L335-L525 HydrophobicContact CB-CD1 3.83Å; L335-L525 HydrophobicContact CD1-CD1 3.92Å; L335-L525 HydrophobicContact CD2-CD1 3.77Å; L335-L525 HydrophobicContact CD2-CD2 4.04Å; L335-L525 HydrophobicContact CG-CD1 4.03Å; L335-E531 HydrophobicContact CD1-CB 4.09Å; L335-A535 HydrophobicContact CD1-CB 4.15Å
336	S	91.6	Very high	94.1	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.088	C	C	.	.			trans	-86.6	128.4	-178.2	178.6	0	0	0	0	111.1	L332 C338 F339 R340	L332-S336 WeakPolarHBondContact O-CB 3.38Å; L332-S336 PolarHBondContact O-N 2.99Å; S336-C338 PolarHBondContact O-N 2.75Å; S336-C338 PolarHBondContact OG-N 3.23Å; S336-F339 PolarHBondContact O-N 3Å; S336-F339 VanDerWaalsContact O-N 3.12Å; S336-R340 WeakPolarHBondContact O-CB 3.49Å; S336-R340 PolarHBondContact O-N 2.83Å
337	P	90.8	Very high	94.1	Very high	3 Å²	3	16 Å²	16	2%	0.019	8%	0.083	C	C	.	.	H	α-helix	trans	-60.9	-31.4	177	26.3	-35.4	0	0	0	112.2	F339 V341 T524 F598	P337-F339 VanDerWaalsContact C-N 3.27Å; P337-F339 PolarHBondContact O-N 2.62Å; P337-V341 WeakPolarHBondContact O-CB 3.44Å; P337-V341 VanDerWaalsContact O-CG2 3.23Å; P337-V341 WeakPolarHBondContact O-CG2 3.5Å; P337-V341 PolarHBondContact O-N 3.34Å; P337-V341 VanDerWaalsContact O-N 3.09Å; P337-T524 HydrophobicContact CG-CG2 3.92Å; P337-F598 HydrophobicContact CB-CD1 4.35Å; P337-F598 HydrophobicContact CB-CD2 3.94Å; P337-F598 HydrophobicContact CB-CE1 4.37Å; P337-F598 HydrophobicContact CB-CE2 3.96Å; P337-F598 HydrophobicContact CB-CG 4.13Å; P337-F598 HydrophobicContact CB-CZ 4.17Å; P337-F598 HydrophobicContact CG-CD2 3.99Å; P337-F598 HydrophobicContact CG-CE2 4.43Å; P337-F598 HydrophobicContact CG-CG 4.23Å
338	C	93.6	Very high	94	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-61.9	-35	177.9	-57.1	0	0	0	0	112.2	S336 F609 V616 T617	S336-C338 PolarHBondContact O-N 2.75Å; S336-C338 PolarHBondContact OG-N 3.23Å; C338-F609 HydrophobicContact CB-CB 4.48Å; C338-V616 HydrophobicContact CB-CB 3.87Å; C338-V616 HydrophobicContact CB-CG1 3.86Å; C338-V616 HydrophobicContact CB-CG2 4.44Å; C338-T617 PolarHBondContact O-OG1 2.99Å
339	F	95	Very high	93.9	Very high	5 Å²	5	15.8 Å²	15.8	2%	0.022	8%	0.081	C	C	.	.	H	α-helix	trans	-89.4	-46.3	179.2	-69.1	-102.9	0	0	0	111.4	L332 Q333 S336 P337 V341 A342 L343 F458 Q494 I517 V616 T617	L332-F339 HydrophobicContact CD2-CE1 4.34Å; L332-F339 HydrophobicContact CD2-CE2 4.27Å; L332-F339 HydrophobicContact CD2-CZ 4.04Å; L332-F339 HydrophobicContact CG-CD2 4.4Å; L332-F339 HydrophobicContact CG-CE2 4.29Å; L332-F339 HydrophobicContact CG-CZ 4.48Å; Q333-F339 HydrophobicContact CB-CB 4.33Å; Q333-F339 HydrophobicContact CG-CB 4.44Å; Q333-F339 HydrophobicContact CG-CD1 4.24Å; S336-F339 PolarHBondContact O-N 3Å; S336-F339 VanDerWaalsContact O-N 3.12Å; P337-F339 VanDerWaalsContact C-N 3.27Å; P337-F339 PolarHBondContact O-N 2.62Å; F339-V341 PolarHBondContact O-N 2.71Å; F339-A342 WeakPolarHBondContact O-CB 3.49Å; F339-A342 PolarHBondContact O-N 3.4Å; F339-L343 PolarHBondContact O-N 3.45Å; F339-L343 VanDerWaalsContact O-N 3.1Å; F339-F458 AromaticContact CD1-CE1 3.9Å; F339-F458 HydrophobicContact CD1-CE1 3.9Å; F339-F458 HydrophobicContact CD1-CE2 4.04Å; F339-F458 AromaticContact CD1-CZ 3.45Å; F339-F458 HydrophobicContact CD1-CZ 3.45Å; F339-F458 VanDerWaalsContact CD1-CZ 3.45Å; F339-F458 AromaticContact CE1-CE1 3.98Å; F339-F458 HydrophobicContact CE1-CE1 3.98Å; F339-F458 HydrophobicContact CE1-CZ 4.02Å; F339-F458 HydrophobicContact CG-CZ 4.4Å; F339-Q494 HydrophobicContact CE1-CG 3.99Å; F339-Q494 HydrophobicContact CZ-CG 4.28Å; F339-I517 HydrophobicContact CE2-CD1 3.85Å; F339-I517 HydrophobicContact CE2-CG1 4.01Å; F339-I517 HydrophobicContact CE2-CG2 4.31Å; F339-I517 HydrophobicContact CZ-CD1 3.75Å; F339-I517 HydrophobicContact CZ-CG1 4.42Å; F339-V616 HydrophobicContact CE2-CG1 3.83Å; F339-V616 HydrophobicContact CZ-CG1 4.26Å; F339-T617 HydrophobicContact CD1-CG2 3.89Å; F339-T617 HydrophobicContact CD2-CG2 4.26Å; F339-T617 HydrophobicContact CE1-CG2 3.93Å; F339-T617 HydrophobicContact CE2-CG2 4.31Å; F339-T617 HydrophobicContact CG-CG2 4.06Å; F339-T617 HydrophobicContact CZ-CG2 4.14Å
340	R	92.6	Very high	93.9	Very high	67 Å²	67	15.2 Å²	15.2	25%	0.253	8%	0.077	S	C	.	.	H	α-helix	trans	-58.6	-51.9	-176	-175.5	172.3	65.8	-146.1	8.7	111.2	Q333 D334 S336 A342 L343 H344 R590	Q333-R340 WeakPolarHBondContact O-CA 3.48Å; Q333-R340 WeakPolarHBondContact O-CB 3.45Å; Q333-R340 PolarHBondContact O-N 2.79Å; D334-R340 WeakPolarHBondContact O-CD 3.41Å; D334-R340 PolarHBondContact O-NH1 2.67Å; S336-R340 WeakPolarHBondContact O-CB 3.49Å; S336-R340 PolarHBondContact O-N 2.83Å; R340-A342 VanDerWaalsContact C-N 3.28Å; R340-A342 PolarHBondContact O-N 2.73Å; R340-L343 PolarHBondContact O-N 3.15Å; R340-H344 PolarHBondContact O-CD2 2.83Å; R340-H344 PolarHBondContact O-N 2.81Å; R340-R590 PolarHBondContact NH2-O 3.19Å
341	V	92.5	Very high	93.9	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-65.8	-33.6	-176.2	-171.9	0	0	0	0	111.2	P337 F339 H344 A345 L586 V591 F598 F609	P337-V341 WeakPolarHBondContact O-CB 3.44Å; P337-V341 VanDerWaalsContact O-CG2 3.23Å; P337-V341 WeakPolarHBondContact O-CG2 3.5Å; P337-V341 PolarHBondContact O-N 3.34Å; P337-V341 VanDerWaalsContact O-N 3.09Å; F339-V341 PolarHBondContact O-N 2.71Å; V341-H344 PolarHBondContact O-N 3.13Å; V341-A345 PolarHBondContact O-N 3.38Å; V341-L586 HydrophobicContact CG1-CB 3.97Å; V341-V591 HydrophobicContact CG2-CG2 3.43Å; V341-V591 VanDerWaalsContact CG2-CG2 3.43Å; V341-F598 HydrophobicContact CB-CZ 4.14Å; V341-F598 HydrophobicContact CG2-CE1 4.24Å; V341-F598 HydrophobicContact CG2-CZ 3.9Å; V341-F609 HydrophobicContact CB-CD1 3.94Å; V341-F609 HydrophobicContact CB-CE1 3.85Å; V341-F609 HydrophobicContact CG1-CD1 3.97Å; V341-F609 HydrophobicContact CG1-CE1 3.47Å; V341-F609 VanDerWaalsContact CG1-CE1 3.47Å; V341-F609 HydrophobicContact CG1-CZ 4.43Å
342	A	94.8	Very high	93.8	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-62.7	-43.6	174.5	0	0	0	0	0	112.8	F339 R340 H344 A345 A346 V492 F609 T617	F339-A342 WeakPolarHBondContact O-CB 3.49Å; F339-A342 PolarHBondContact O-N 3.4Å; R340-A342 VanDerWaalsContact C-N 3.28Å; R340-A342 PolarHBondContact O-N 2.73Å; A342-H344 VanDerWaalsContact C-N 3.35Å; A342-A345 WeakPolarHBondContact O-CB 3.34Å; A342-A345 PolarHBondContact O-N 3.39Å; A342-A346 PolarHBondContact O-N 3.36Å; A342-A346 VanDerWaalsContact O-N 3.1Å; A342-V492 HydrophobicContact CB-CG1 3.72Å; A342-F609 VanDerWaalsContact CA-CE2 3.42Å; A342-F609 HydrophobicContact CB-CD2 3.46Å; A342-F609 VanDerWaalsContact CB-CD2 3.46Å; A342-F609 HydrophobicContact CB-CE2 3.44Å; A342-F609 VanDerWaalsContact CB-CE2 3.44Å; A342-F609 HydrophobicContact CB-CG 4.12Å; A342-F609 HydrophobicContact CB-CZ 4.09Å; A342-T617 WeakPolarHBondContact CB-OG1 3.46Å
343	L	95.5	Very high	93.8	Very high	7 Å²	7	18.3 Å²	18.3	4%	0.037	10%	0.096	C	C	.	.	H	α-helix	trans	-63.9	-40.2	174.8	-69.2	172.3	0	0	0	112	Q333 F339 R340 A345 A346 S347 Q371 A457 F458	Q333-L343 HydrophobicContact CB-CD1 3.85Å; Q333-L343 HydrophobicContact CG-CD1 4.23Å; F339-L343 PolarHBondContact O-N 3.45Å; F339-L343 VanDerWaalsContact O-N 3.1Å; R340-L343 PolarHBondContact O-N 3.15Å; L343-A345 VanDerWaalsContact C-N 3.33Å; L343-A346 PolarHBondContact O-N 3.48Å; L343-S347 PolarHBondContact O-N 3.14Å; L343-S347 PolarHBondContact O-OG 3.39Å; L343-Q371 HydrophobicContact CB-CB 4.39Å; L343-Q371 HydrophobicContact CB-CG 4.18Å; L343-Q371 HydrophobicContact CD2-CG 4.41Å; L343-A457 HydrophobicContact CD2-CB 3.66Å; L343-F458 HydrophobicContact CD1-CE2 4.38Å; L343-F458 HydrophobicContact CD2-CD2 4.27Å; L343-F458 HydrophobicContact CD2-CE2 3.83Å; L343-F458 HydrophobicContact CG-CE2 4.1Å
344	H	94.2	Very high	93.9	Very high	26 Å²	26	17.5 Å²	17.5	12%	0.12	9%	0.092	C	C	.	.	H	α-helix	trans	-63.5	-38	173.8	-83.8	-88.8	0	0	0	112.3	R340 V341 A342 S347 A348 A374 Y378 L586	R340-H344 PolarHBondContact O-CD2 2.83Å; R340-H344 PolarHBondContact O-N 2.81Å; V341-H344 PolarHBondContact O-N 3.13Å; A342-H344 VanDerWaalsContact C-N 3.35Å; H344-S347 PolarHBondContact O-N 3.21Å; H344-A348 WeakPolarHBondContact O-CB 3.29Å; H344-A348 PolarHBondContact O-N 2.8Å; H344-A374 WeakPolarHBondContact CE1-CB 3.35Å; H344-A374 WeakPolarHBondContact ND1-CB 3.43Å; H344-Y378 AromaticContact ND1-CE2 3.84Å; H344-Y378 AromaticContact ND1-CZ 3.59Å; H344-Y378 PolarHBondContact ND1-OH 3.27Å; H344-L586 HydrophobicContact CB-CD1 3.96Å; H344-L586 HydrophobicContact CB-CD2 3.85Å; H344-L586 HydrophobicContact CB-CG 4.48Å
345	A	94.5	Very high	94	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-62.5	-43	176.3	0	0	0	0	0	111.9	V341 A342 L343 A348 A349 I582 L586 L607 F609 A619	V341-A345 PolarHBondContact O-N 3.38Å; A342-A345 WeakPolarHBondContact O-CB 3.34Å; A342-A345 PolarHBondContact O-N 3.39Å; L343-A345 VanDerWaalsContact C-N 3.33Å; A345-A348 PolarHBondContact O-N 3.17Å; A345-A349 WeakPolarHBondContact O-CB 3.37Å; A345-A349 PolarHBondContact O-N 3.22Å; A345-I582 HydrophobicContact CB-CG2 4.12Å; A345-L586 HydrophobicContact CB-CD1 3.79Å; A345-L586 VanDerWaalsContact N-CD1 3.3Å; A345-L607 HydrophobicContact CB-CD1 3.97Å; A345-F609 HydrophobicContact CB-CZ 3.9Å; A345-A619 HydrophobicContact CB-CB 4.1Å
346	A	95.3	Very high	94.1	Very high	2 Å²	2	20.6 Å²	20.6	2%	0.017	12%	0.115	C	C	.	.	H	α-helix	trans	-61.6	-46.1	172.3	0	0	0	0	0	112.1	A342 L343 A348 A349 I350 T490 V492	A342-A346 PolarHBondContact O-N 3.36Å; A342-A346 VanDerWaalsContact O-N 3.1Å; L343-A346 PolarHBondContact O-N 3.48Å; A346-A348 VanDerWaalsContact C-N 3.33Å; A346-A348 PolarHBondContact O-N 2.88Å; A346-A349 PolarHBondContact O-N 3.49Å; A346-I350 WeakPolarHBondContact O-CG1 3.12Å; A346-I350 PolarHBondContact O-N 2.9Å; A346-T490 HydrophobicContact CB-CG2 4.29Å; A346-V492 HydrophobicContact CB-CG2 3.52Å
347	S	95.7	Very high	94.4	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.007	13%	0.133	C	C	.	.	H	α-helix	trans	-60.8	-40.4	176.9	-64.8	0	0	0	0	112.6	L343 H344 I350 V351 Q371 L375	L343-S347 PolarHBondContact O-N 3.14Å; L343-S347 PolarHBondContact O-OG 3.39Å; H344-S347 PolarHBondContact O-N 3.21Å; S347-I350 PolarHBondContact O-N 3.45Å; S347-V351 VanDerWaalsContact O-CG2 3.24Å; S347-V351 WeakPolarHBondContact O-CG2 3.37Å; S347-V351 PolarHBondContact O-N 2.92Å; S347-Q371 WeakPolarHBondContact OG-CG 3.2Å; S347-Q371 PolarHBondContact OG-O 3.5Å; S347-L375 WeakPolarHBondContact O-CD1 3.31Å
348	A	94.1	Very high	94.6	Very high	19 Å²	19	32.4 Å²	32.4	16%	0.157	16%	0.162	C	C	.	.	H	α-helix	trans	-65	-44.2	175.9	0	0	0	0	0	111.7	H344 A345 A346 I350 V351 E352 I582	H344-A348 WeakPolarHBondContact O-CB 3.29Å; H344-A348 PolarHBondContact O-N 2.8Å; A345-A348 PolarHBondContact O-N 3.17Å; A346-A348 VanDerWaalsContact C-N 3.33Å; A346-A348 PolarHBondContact O-N 2.88Å; A348-I350 VanDerWaalsContact C-N 3.32Å; A348-I350 PolarHBondContact O-N 3.33Å; A348-V351 PolarHBondContact O-N 3.48Å; A348-E352 WeakPolarHBondContact O-CB 3.46Å; A348-E352 PolarHBondContact O-N 3.45Å; A348-I582 HydrophobicContact CB-CG2 3.93Å
349	A	94.6	Very high	94.8	Very high	6 Å²	6	33.9 Å²	33.9	5%	0.05	17%	0.174	C	C	.	.	H	α-helix	trans	-61.2	-39.4	176.3	0	0	0	0	0	112.2	A345 A346 E352 A353 T490 L578 A621	A345-A349 WeakPolarHBondContact O-CB 3.37Å; A345-A349 PolarHBondContact O-N 3.22Å; A346-A349 PolarHBondContact O-N 3.49Å; A349-E352 PolarHBondContact O-N 2.95Å; A349-A353 VanDerWaalsContact O-CB 3.32Å; A349-A353 WeakPolarHBondContact O-CB 3.27Å; A349-A353 PolarHBondContact O-N 3.46Å; A349-T490 HydrophobicContact CB-CG2 3.96Å; A349-L578 HydrophobicContact CB-CD2 3.47Å; A349-L578 VanDerWaalsContact CB-CD2 3.47Å; A349-A621 HydrophobicContact CB-CB 4.42Å
350	I	96.2	Very high	95	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.021	17%	0.174	C	C	.	.	H	α-helix	trans	-60.8	-50.7	172.7	-68.4	163.2	0	0	0	110.2	A346 S347 A348 E352 A353 V354 L362 L375 A453 N455 V488 T490	A346-I350 WeakPolarHBondContact O-CG1 3.12Å; A346-I350 PolarHBondContact O-N 2.9Å; S347-I350 PolarHBondContact O-N 3.45Å; A348-I350 VanDerWaalsContact C-N 3.32Å; A348-I350 PolarHBondContact O-N 3.33Å; I350-E352 VanDerWaalsContact C-N 3.31Å; I350-E352 PolarHBondContact O-N 3.12Å; I350-A353 PolarHBondContact O-N 2.86Å; I350-V354 HydrophobicContact CG2-CG1 4.33Å; I350-V354 WeakPolarHBondContact O-CG1 3.37Å; I350-V354 WeakPolarHBondContact O-CG2 3.28Å; I350-V354 PolarHBondContact O-N 3.1Å; I350-L362 HydrophobicContact CD1-CD1 3.97Å; I350-L375 HydrophobicContact CB-CD1 3.95Å; I350-L375 HydrophobicContact CD1-CD1 4.43Å; I350-L375 HydrophobicContact CG2-CD1 3.8Å; I350-A453 HydrophobicContact CG1-CB 4.5Å; I350-A453 HydrophobicContact CG2-CB 3.82Å; I350-N455 HydrophobicContact CD1-CB 4.16Å; I350-V488 HydrophobicContact CG1-CG1 4.33Å; I350-T490 HydrophobicContact CD1-CG2 4.33Å; I350-T490 HydrophobicContact CG1-CG2 3.74Å
351	V	94.9	Very high	95.2	Very high	4 Å²	4	30.5 Å²	30.5	2%	0.024	16%	0.162	C	C	.	.	H	α-helix	trans	-63.2	-36.1	-178.4	172.2	0	0	0	0	112.3	S347 A348 G355 L375 L379 R382	S347-V351 VanDerWaalsContact O-CG2 3.24Å; S347-V351 WeakPolarHBondContact O-CG2 3.37Å; S347-V351 PolarHBondContact O-N 2.92Å; A348-V351 PolarHBondContact O-N 3.48Å; V351-G355 PolarHBondContact O-N 2.92Å; V351-L375 HydrophobicContact CG2-CD1 3.73Å; V351-L379 HydrophobicContact CB-CD2 4.48Å; V351-L379 HydrophobicContact CG1-CD2 4.34Å; V351-L379 HydrophobicContact CG2-CD2 3.84Å; V351-L379 HydrophobicContact CG2-CG 3.96Å; V351-R382 HydrophobicContact CG1-CG 3.85Å
352	E	93.4	Very high	95.5	Very high	103 Å²	103	30.6 Å²	30.6	48%	0.481	16%	0.162	S	C	.	.	H	α-helix	trans	-65.7	-50.1	173.1	-174.9	177.7	162.7	0	0	111.3	A348 A349 I350 V354 G355	A348-E352 WeakPolarHBondContact O-CB 3.46Å; A348-E352 PolarHBondContact O-N 3.45Å; A349-E352 PolarHBondContact O-N 2.95Å; I350-E352 VanDerWaalsContact C-N 3.31Å; I350-E352 PolarHBondContact O-N 3.12Å; E352-V354 PolarHBondContact O-N 3.31Å; E352-G355 PolarHBondContact O-N 3.39Å; E352-G355 VanDerWaalsContact O-N 3.13Å
353	A	95	Very high	95.7	Very high	32 Å²	32	30.6 Å²	30.6	26%	0.264	16%	0.162	S	C	.	.	H	α-helix	trans	-62.8	-44.8	-177.5	0	0	0	0	0	112.4	A349 I350 G355 Q487 V488	A349-A353 VanDerWaalsContact O-CB 3.32Å; A349-A353 WeakPolarHBondContact O-CB 3.27Å; A349-A353 PolarHBondContact O-N 3.46Å; I350-A353 PolarHBondContact O-N 2.86Å; A353-G355 PolarHBondContact O-N 2.82Å; A353-Q487 PolarHBondContact O-NE2 2.76Å; A353-V488 HydrophobicContact CB-CB 3.54Å; A353-V488 HydrophobicContact CB-CG1 3.5Å; A353-V488 HydrophobicContact CB-CG2 4.1Å
354	V	95.6	Very high	95.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-69.8	-18.2	178.2	-57	0	0	0	0	112.6	I350 E352 D356 H357 I360 L379 A451 A453	I350-V354 HydrophobicContact CG2-CG1 4.33Å; I350-V354 WeakPolarHBondContact O-CG1 3.37Å; I350-V354 WeakPolarHBondContact O-CG2 3.28Å; I350-V354 PolarHBondContact O-N 3.1Å; E352-V354 PolarHBondContact O-N 3.31Å; V354-D356 PolarHBondContact O-N 2.9Å; V354-H357 WeakPolarHBondContact O-CB 3.48Å; V354-H357 PolarHBondContact O-N 3.48Å; V354-H357 PolarHBondContact O-ND1 3.42Å; V354-I360 HydrophobicContact CB-CG1 4.48Å; V354-I360 HydrophobicContact CG1-CG2 4.07Å; V354-I360 HydrophobicContact CG2-CD1 4.03Å; V354-L379 HydrophobicContact CG2-CD2 4.18Å; V354-A451 HydrophobicContact CB-CB 4.3Å; V354-A451 HydrophobicContact CG1-CB 4.18Å; V354-A453 HydrophobicContact CG1-CB 4.34Å
355	G	93.5	Very high	96	Very high	24 Å²	24	30.5 Å²	30.5	25%	0.247	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.1	-125.3	176.5	0	0	0	0	0	113.2	V351 E352 A353 R387	V351-G355 PolarHBondContact O-N 2.92Å; E352-G355 PolarHBondContact O-N 3.39Å; E352-G355 VanDerWaalsContact O-N 3.13Å; A353-G355 PolarHBondContact O-N 2.82Å; G355-R387 PolarHBondContact O-NH1 2.84Å; G355-R387 PolarHBondContact O-NH2 2.91Å
356	D	94	Very high	96.1	Very high	129 Å²	129	31.6 Å²	31.6	69%	0.69	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.7	8.4	-177.3	-64.3	-32.6	0	0	0	114.4	V354 R358	V354-D356 PolarHBondContact O-N 2.9Å; D356-R358 PolarHBondContact O-N 3.18Å
357	H	96.1	Very high	96.2	Very high	83 Å²	83	31.5 Å²	31.5	38%	0.384	17%	0.166	S	C	.	.			trans	-59.2	129	176	-69.9	85.2	0	0	0	110.3	V354 R387 A451 Q487	V354-H357 WeakPolarHBondContact O-CB 3.48Å; V354-H357 PolarHBondContact O-N 3.48Å; V354-H357 PolarHBondContact O-ND1 3.42Å; H357-R387 PolarHBondContact O-NH1 3.2Å; H357-A451 HydrophobicContact CB-CB 3.62Å; H357-Q487 PolarHBondContact CE1-NE2 3.48Å
358	R	96.2	Very high	96.2	Very high	169 Å²	169	31.6 Å²	31.6	64%	0.638	17%	0.167	S	C	*	.	S	Bend	trans	-78.5	-42.3	180	-66.9	-174.3	-177.4	-178	-0.7	112	D356 V384 R387 S388	D356-R358 PolarHBondContact O-N 3.18Å; R358-V384 HydrophobicContact CG-CG1 4.24Å; R358-R387 CarbonylContact O-C 3.58Å; R358-R387 WeakPolarHBondContact O-CA 3.37Å; R358-S388 PolarHBondContact O-N 3.42Å
359	A	97.4	Very high	96.2	Very high	30 Å²	30	32.6 Å²	32.6	25%	0.248	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	117.9	178.7	0	0	0	0	0	110.1	S388 E450 A451	A359-S388 WeakPolarHBondContact CA-OG 3.39Å; A359-E450 HydrophobicContact CB-CG 4.11Å; A359-A451 PolarHBondContact O-N 3.4Å
360	I	98.4	Very high	96.1	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.01	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	131.1	-176.5	-53.4	166.5	0	0	0	108.6	V354 L379 S388 L389 K390	V354-I360 HydrophobicContact CB-CG1 4.48Å; V354-I360 HydrophobicContact CG1-CG2 4.07Å; V354-I360 HydrophobicContact CG2-CD1 4.03Å; I360-L379 HydrophobicContact CD1-CD1 4.03Å; I360-L379 HydrophobicContact CD1-CD2 3.51Å; I360-L379 HydrophobicContact CD1-CG 4.42Å; I360-S388 PolarHBondContact N-O 3.42Å; I360-L389 HydrophobicContact CB-CD1 4.12Å; I360-L389 HydrophobicContact CG2-CD1 3.92Å; I360-K390 PolarHBondContact O-N 2.99Å
361	H	98.6	Very high	96.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	106	172.2	-174.5	-171	0	0	0	109.7	K390 T392 L444 C446 E450 A451 V452 A453	H361-K390 CarbonylContact C-O 3.55Å; H361-K390 WeakPolarHBondContact CA-O 3.46Å; H361-K390 PolarHBondContact CD2-O 3.12Å; H361-K390 PolarHBondContact CE1-NZ 3.04Å; H361-K390 PolarHBondContact ND1-NZ 3.17Å; H361-T392 WeakPolarHBondContact NE2-CB 3.45Å; H361-T392 PolarHBondContact NE2-OG1 2.98Å; H361-L444 PolarHBondContact CE1-O 3.17Å; H361-C446 VanDerWaalsContact CE1-SG 3.53Å; H361-C446 PolarHBondContact ND1-SG 2.9Å; H361-C446 VanDerWaalsContact ND1-SG 3.42Å; H361-E450 HydrophobicContact CB-CB 4.2Å; H361-E450 IonicContact CG-OE2 2.63Å; H361-E450 IonicContact ND1-OE2 2.69Å; H361-A451 PolarHBondContact N-O 2.91Å; H361-V452 HydrophobicContact CB-CG2 4.37Å; H361-V452 CarbonylContact O-C 3.53Å; H361-V452 WeakPolarHBondContact O-CA 3.28Å; H361-A453 PolarHBondContact O-N 3.05Å
362	L	98.7	Very high	96.2	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	121.2	174	-179.9	67.2	0	0	0	110.4	I350 L375 L389 K390 V391 T392 A453 N455	I350-L362 HydrophobicContact CD1-CD1 3.97Å; L362-L375 HydrophobicContact CD2-CD2 3.56Å; L362-L389 HydrophobicContact CB-CD1 4.19Å; L362-K390 PolarHBondContact N-O 3Å; L362-V391 HydrophobicContact CB-CG2 4.37Å; L362-V391 HydrophobicContact CD2-CG2 4.35Å; L362-V391 CarbonylContact O-C 3.54Å; L362-V391 WeakPolarHBondContact O-CA 3.48Å; L362-T392 PolarHBondContact O-N 3.48Å; L362-A453 CarbonylContact C-O 3.57Å; L362-A453 WeakPolarHBondContact CA-O 3.48Å; L362-A453 HydrophobicContact CD1-CB 4.19Å; L362-N455 HydrophobicContact CD1-CB 4.08Å
363	V	98.7	Very high	96.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	126	170.9	-175.9	0	0	0	0	108.4	F365 V394 L444 V452 A453 V454 N455	V363-F365 HydrophobicContact CG1-CE2 4.07Å; V363-F365 HydrophobicContact CG1-CZ 4.36Å; V363-V394 HydrophobicContact CG1-CG2 3.59Å; V363-L444 HydrophobicContact CG1-CD1 4.18Å; V363-L444 HydrophobicContact CG1-CD2 4.37Å; V363-L444 HydrophobicContact CG2-CD1 4.03Å; V363-V452 HydrophobicContact CG2-CG1 4.4Å; V363-A453 PolarHBondContact N-O 3.44Å; V363-V454 HydrophobicContact CB-CG1 4.46Å; V363-V454 HydrophobicContact CB-CG2 4.17Å; V363-V454 CarbonylContact O-C 3.56Å; V363-V454 WeakPolarHBondContact O-CA 3.47Å; V363-N455 PolarHBondContact O-N 3.27Å
364	D	98.5	Very high	96.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	143.7	-174.9	-164.1	-39.2	0	0	0	110.8	D366 V367 H372 T392 A393 V394 N455	D364-D366 PolarHBondContact OD1-N 3.07Å; D364-V367 HydrophobicContact CB-CG2 3.78Å; D364-V367 PolarHBondContact OD1-N 3.39Å; D364-H372 IonicContact OD2-CD2 3.74Å; D364-H372 IonicContact OD2-CE1 2.93Å; D364-H372 IonicContact OD2-NE2 2.67Å; D364-H372 PolarHBondContact OD2-NE2 3.36Å; D364-T392 PolarHBondContact N-O 3.33Å; D364-A393 CarbonylContact O-C 3.53Å; D364-A393 WeakPolarHBondContact O-CA 3.43Å; D364-V394 PolarHBondContact O-N 3.47Å; D364-N455 HydrophobicContact CB-CB 4.48Å; D364-N455 PolarHBondContact OD2-ND2 3.26Å
365	F	97.8	Very high	96.3	Very high	30 Å²	30	29.3 Å²	29.3	13%	0.132	15%	0.154	C	C	.	.	S	Bend	trans	-108.6	-10	-175.6	-65.2	-98.1	0	0	0	113.2	V363 V394 L439 V454 L456 A459 L477 V481	V363-F365 HydrophobicContact CG1-CE2 4.07Å; V363-F365 HydrophobicContact CG1-CZ 4.36Å; F365-V394 HydrophobicContact CD1-CB 3.76Å; F365-V394 HydrophobicContact CD1-CG1 3.93Å; F365-V394 HydrophobicContact CE1-CB 3.63Å; F365-V394 HydrophobicContact CE1-CG1 3.52Å; F365-V394 HydrophobicContact CE1-CG2 4.21Å; F365-V394 HydrophobicContact CG-CB 4.39Å; F365-V394 HydrophobicContact CZ-CB 4.16Å; F365-V394 HydrophobicContact CZ-CG1 4.29Å; F365-V394 HydrophobicContact CZ-CG2 4.25Å; F365-L439 HydrophobicContact CZ-CD2 4.08Å; F365-V454 HydrophobicContact CE2-CG1 3.94Å; F365-L456 HydrophobicContact CD2-CD2 3.42Å; F365-L456 VanDerWaalsContact CD2-CD2 3.42Å; F365-L456 HydrophobicContact CE2-CD2 3.72Å; F365-L456 HydrophobicContact CG-CD2 4.1Å; F365-A459 HydrophobicContact CB-CB 3.81Å; F365-L477 HydrophobicContact CD1-CD2 4.4Å; F365-L477 HydrophobicContact CE1-CD1 3.63Å; F365-L477 HydrophobicContact CE1-CD2 4.13Å; F365-L477 HydrophobicContact CE1-CG 4.47Å; F365-L477 HydrophobicContact CZ-CD1 3.74Å; F365-V481 HydrophobicContact CE2-CG2 4.47Å; F365-V481 HydrophobicContact CZ-CG2 4.29Å
366	D	96	Very high	96.5	Very high	24 Å²	24	28.1 Å²	28.1	13%	0.128	14%	0.142	C	C	.	.	S	Bend	trans	-146.4	58.5	177.6	-167.1	32.9	0	0	0	112.3	R326 D364 S368 A459	R326-D366 IonicContact CZ-OD1 2.8Å; R326-D366 IonicContact NH1-OD1 2.79Å; R326-D366 PolarHBondContact NH1-OD1 2.9Å; R326-D366 IonicContact NH2-OD1 2.67Å; R326-D366 PolarHBondContact NH2-OD1 2.87Å; D364-D366 PolarHBondContact OD1-N 3.07Å; D366-S368 PolarHBondContact O-N 2.82Å; D366-S368 VanDerWaalsContact O-N 3.1Å; D366-A459 HydrophobicContact CB-CB 4.35Å
367	V	97.1	Very high	96.5	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.129	C	C	.	.			trans	-52.4	121.2	-174.8	179	0	0	0	0	111.8	R326 Q330 D364 A393 L409 I412 F429	R326-V367 PolarHBondContact NH2-O 3.07Å; R326-V367 VanDerWaalsContact NH2-O 3.14Å; Q330-V367 PolarHBondContact NE2-O 3.47Å; D364-V367 HydrophobicContact CB-CG2 3.78Å; D364-V367 PolarHBondContact OD1-N 3.39Å; V367-A393 HydrophobicContact CG2-CB 3.77Å; V367-L409 HydrophobicContact CB-CD2 3.91Å; V367-L409 HydrophobicContact CG1-CD2 4.39Å; V367-L409 HydrophobicContact CG2-CD2 4.49Å; V367-I412 HydrophobicContact CG1-CG2 3.95Å; V367-F429 HydrophobicContact CG1-CE2 4.22Å; V367-F429 HydrophobicContact CG1-CZ 4.47Å; V367-F429 HydrophobicContact CG2-CE2 4.39Å; V367-F429 HydrophobicContact CG2-CZ 4.44Å
368	S	94.5	Very high	96.4	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.014	11%	0.114	C	C	.	.			trans	-118.5	139.2	174.3	75	0	0	0	0	110.6	D366 Q371 H372	D366-S368 PolarHBondContact O-N 2.82Å; D366-S368 VanDerWaalsContact O-N 3.1Å; S368-Q371 VanDerWaalsContact OG-CB 3.24Å; S368-Q371 WeakPolarHBondContact OG-CB 3.42Å; S368-H372 PolarHBondContact O-CD2 3.08Å; S368-H372 PolarHBondContact O-N 3.21Å
369	F	95.7	Very high	96.4	Very high	40 Å²	40	15.2 Å²	15.2	18%	0.175	8%	0.084	C	C	.	.	H	α-helix	trans	-60.7	-48.2	179.2	174.7	-91.8	0	0	0	112.9	Q371 H372 A373 I412 R415 L416 L419	F369-Q371 PolarHBondContact O-N 2.71Å; F369-H372 PolarHBondContact O-N 3.13Å; F369-A373 HydrophobicContact CE1-CB 4.22Å; F369-A373 HydrophobicContact CZ-CB 4.18Å; F369-A373 VanDerWaalsContact O-CB 3.25Å; F369-A373 WeakPolarHBondContact O-CB 3.29Å; F369-A373 PolarHBondContact O-N 3.1Å; F369-I412 HydrophobicContact CB-CG1 4.38Å; F369-I412 HydrophobicContact CB-CG2 4.28Å; F369-R415 HydrophobicContact CD2-CB 3.76Å; F369-R415 HydrophobicContact CE2-CB 3.42Å; F369-R415 VanDerWaalsContact CE2-CB 3.42Å; F369-R415 HydrophobicContact CE2-CG 4.49Å; F369-R415 HydrophobicContact CZ-CB 4.35Å; F369-L416 HydrophobicContact CD2-CD2 3.73Å; F369-L416 HydrophobicContact CD2-CG 4.02Å; F369-L416 HydrophobicContact CE2-CD2 3.91Å; F369-L416 HydrophobicContact CE2-CG 4.4Å; F369-L419 HydrophobicContact CZ-CD1 4.28Å
370	P	92.3	Very high	96.2	Very high	41 Å²	41	15.1 Å²	15.1	27%	0.266	8%	0.083	S	C	.	.	H	α-helix	trans	-60.8	-42.4	-176.5	-24.1	35.1	0	0	0	113.3	D334 A374	D334-P370 HydrophobicContact CB-CG 4.44Å; P370-A374 PolarHBondContact O-N 2.84Å; P370-A374 VanDerWaalsContact O-N 3.08Å
371	Q	95.3	Very high	95.9	Very high	5 Å²	5	19.1 Å²	19.1	2%	0.023	11%	0.105	C	C	.	.	H	α-helix	trans	-65.4	-46.3	180	-174.6	-176.6	16.2	0	0	111.8	L343 S347 S368 F369 A374 L375 N455	L343-Q371 HydrophobicContact CB-CB 4.39Å; L343-Q371 HydrophobicContact CB-CG 4.18Å; L343-Q371 HydrophobicContact CD2-CG 4.41Å; S347-Q371 WeakPolarHBondContact OG-CG 3.2Å; S347-Q371 PolarHBondContact OG-O 3.5Å; S368-Q371 VanDerWaalsContact OG-CB 3.24Å; S368-Q371 WeakPolarHBondContact OG-CB 3.42Å; F369-Q371 PolarHBondContact O-N 2.71Å; Q371-A374 WeakPolarHBondContact O-CB 3.37Å; Q371-A374 PolarHBondContact O-N 3.3Å; Q371-L375 PolarHBondContact O-N 3.42Å; Q371-N455 PolarHBondContact NE2-ND2 2.93Å; Q371-N455 VanDerWaalsContact NE2-ND2 3.18Å; Q371-N455 PolarHBondContact NE2-OD1 2.85Å; Q371-N455 PolarHBondContact OE1-ND2 2.98Å
372	H	97.6	Very high	95.5	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.009	13%	0.129	C	C	.	.	H	α-helix	trans	-70.3	-34.9	-178.6	-78.2	-123.7	0	0	0	111.7	D364 S368 F369 A374 L375 I376 L416	D364-H372 IonicContact OD2-CD2 3.74Å; D364-H372 IonicContact OD2-CE1 2.93Å; D364-H372 IonicContact OD2-NE2 2.67Å; D364-H372 PolarHBondContact OD2-NE2 3.36Å; S368-H372 PolarHBondContact O-CD2 3.08Å; S368-H372 PolarHBondContact O-N 3.21Å; F369-H372 PolarHBondContact O-N 3.13Å; H372-A374 VanDerWaalsContact C-N 3.33Å; H372-A374 PolarHBondContact O-N 3.05Å; H372-L375 PolarHBondContact O-N 3.43Å; H372-I376 VanDerWaalsContact O-CG1 3.3Å; H372-I376 WeakPolarHBondContact O-CG1 3.42Å; H372-I376 PolarHBondContact O-N 3.07Å; H372-L416 HydrophobicContact CB-CD1 3.57Å; H372-L416 HydrophobicContact CB-CD2 3.57Å; H372-L416 HydrophobicContact CB-CG 4.24Å
373	A	96.3	Very high	95.1	Very high	17 Å²	17	36.1 Å²	36.1	14%	0.14	17%	0.169	C	C	.	.	H	α-helix	trans	-60	-43.8	171.2	0	0	0	0	0	111.4	F369 I376 Q377 L419	F369-A373 HydrophobicContact CE1-CB 4.22Å; F369-A373 HydrophobicContact CZ-CB 4.18Å; F369-A373 VanDerWaalsContact O-CB 3.25Å; F369-A373 WeakPolarHBondContact O-CB 3.29Å; F369-A373 PolarHBondContact O-N 3.1Å; A373-I376 PolarHBondContact O-N 3.35Å; A373-Q377 PolarHBondContact O-N 2.81Å; A373-Q377 VanDerWaalsContact O-N 3.11Å; A373-L419 HydrophobicContact CB-CD1 3.66Å
374	A	93.6	Very high	94.8	Very high	11 Å²	11	37.6 Å²	37.6	9%	0.091	18%	0.178	C	C	.	.	H	α-helix	trans	-63.5	-44.1	175.2	0	0	0	0	0	112.2	H344 P370 Q371 H372 I376 Q377 Y378	H344-A374 WeakPolarHBondContact CE1-CB 3.35Å; H344-A374 WeakPolarHBondContact ND1-CB 3.43Å; P370-A374 PolarHBondContact O-N 2.84Å; P370-A374 VanDerWaalsContact O-N 3.08Å; Q371-A374 WeakPolarHBondContact O-CB 3.37Å; Q371-A374 PolarHBondContact O-N 3.3Å; H372-A374 VanDerWaalsContact C-N 3.33Å; H372-A374 PolarHBondContact O-N 3.05Å; A374-I376 PolarHBondContact O-N 3.14Å; A374-Q377 PolarHBondContact O-N 3.31Å; A374-Y378 HydrophobicContact CB-CE2 4.09Å; A374-Y378 WeakPolarHBondContact O-CD2 3.4Å; A374-Y378 PolarHBondContact O-N 3.31Å
375	L	96.5	Very high	94.4	Very high	4 Å²	4	45.5 Å²	45.5	2%	0.021	22%	0.215	C	C	.	.	H	α-helix	trans	-57.7	-48.9	176.5	-176.7	80.9	0	0	0	111.7	S347 I350 V351 L362 Q371 H372 Q377 Y378 L379 L389	S347-L375 WeakPolarHBondContact O-CD1 3.31Å; I350-L375 HydrophobicContact CB-CD1 3.95Å; I350-L375 HydrophobicContact CD1-CD1 4.43Å; I350-L375 HydrophobicContact CG2-CD1 3.8Å; V351-L375 HydrophobicContact CG2-CD1 3.73Å; L362-L375 HydrophobicContact CD2-CD2 3.56Å; Q371-L375 PolarHBondContact O-N 3.42Å; H372-L375 PolarHBondContact O-N 3.43Å; L375-Q377 VanDerWaalsContact C-N 3.28Å; L375-Q377 PolarHBondContact O-N 3.26Å; L375-Y378 PolarHBondContact O-N 3.14Å; L375-L379 HydrophobicContact CG-CD1 4.26Å; L375-L379 WeakPolarHBondContact O-CG 3.42Å; L375-L379 PolarHBondContact O-N 2.94Å; L375-L389 HydrophobicContact CD2-CD2 4.27Å
376	I	97.4	Very high	94	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-59.9	-42	179	-68	161.6	0	0	0	110.6	H372 A373 A374 L379 A380 L389 L416 L419 A420 A423 Y427	H372-I376 VanDerWaalsContact O-CG1 3.3Å; H372-I376 WeakPolarHBondContact O-CG1 3.42Å; H372-I376 PolarHBondContact O-N 3.07Å; A373-I376 PolarHBondContact O-N 3.35Å; A374-I376 PolarHBondContact O-N 3.14Å; I376-L379 PolarHBondContact O-N 2.97Å; I376-A380 WeakPolarHBondContact O-CB 3.15Å; I376-A380 PolarHBondContact O-N 3.32Å; I376-L389 HydrophobicContact CG1-CD2 3.86Å; I376-L416 HydrophobicContact CD1-CB 4.38Å; I376-L416 HydrophobicContact CD1-CD2 4.04Å; I376-L419 HydrophobicContact CB-CD2 3.65Å; I376-L419 HydrophobicContact CD1-CD2 4Å; I376-L419 HydrophobicContact CG1-CD2 4.44Å; I376-L419 HydrophobicContact CG2-CD2 3.33Å; I376-A420 HydrophobicContact CD1-CB 4.16Å; I376-A420 HydrophobicContact CG2-CB 4.23Å; I376-A423 HydrophobicContact CG2-CB 3.8Å; I376-Y427 HydrophobicContact CD1-CE2 4.31Å
377	Q	94.2	Very high	94	Very high	89 Å²	89	46.2 Å²	46.2	42%	0.416	24%	0.235	S	C	.	.	H	α-helix	trans	-61.9	-46.4	175.9	-173.5	60.4	54.5	0	0	111.6	A373 A374 L375 L379 A380 D381	A373-Q377 PolarHBondContact O-N 2.81Å; A373-Q377 VanDerWaalsContact O-N 3.11Å; A374-Q377 PolarHBondContact O-N 3.31Å; L375-Q377 VanDerWaalsContact C-N 3.28Å; L375-Q377 PolarHBondContact O-N 3.26Å; Q377-L379 VanDerWaalsContact C-N 3.31Å; Q377-L379 PolarHBondContact O-N 3.23Å; Q377-A380 WeakPolarHBondContact O-CB 3.26Å; Q377-A380 PolarHBondContact O-N 3.11Å; Q377-A380 VanDerWaalsContact O-N 3.1Å; Q377-D381 PolarHBondContact NE2-OD1 3.01Å; Q377-D381 PolarHBondContact O-N 3.35Å
378	Y	93.8	Very high	94	Very high	17 Å²	17	47.2 Å²	47.2	7%	0.067	24%	0.242	C	C	.	.	H	α-helix	trans	-61.8	-37.7	177.5	-63.7	-36.1	0	0	0	113	H344 A374 L375 A380 D381 R382 L586	H344-Y378 AromaticContact ND1-CE2 3.84Å; H344-Y378 AromaticContact ND1-CZ 3.59Å; H344-Y378 PolarHBondContact ND1-OH 3.27Å; A374-Y378 HydrophobicContact CB-CE2 4.09Å; A374-Y378 WeakPolarHBondContact O-CD2 3.4Å; A374-Y378 PolarHBondContact O-N 3.31Å; L375-Y378 PolarHBondContact O-N 3.14Å; Y378-A380 VanDerWaalsContact C-N 3.34Å; Y378-D381 PolarHBondContact O-N 2.84Å; Y378-R382 PolarHBondContact O-N 3.43Å; Y378-L586 WeakPolarHBondContact OH-CD2 3.32Å
379	L	95.3	Very high	94.2	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.016	24%	0.242	C	C	.	.	H	α-helix	trans	-64.4	-39.6	173.7	-70.1	172.7	0	0	0	111.9	V351 V354 I360 L375 I376 Q377 R382 L389	V351-L379 HydrophobicContact CB-CD2 4.48Å; V351-L379 HydrophobicContact CG1-CD2 4.34Å; V351-L379 HydrophobicContact CG2-CD2 3.84Å; V351-L379 HydrophobicContact CG2-CG 3.96Å; V354-L379 HydrophobicContact CG2-CD2 4.18Å; I360-L379 HydrophobicContact CD1-CD1 4.03Å; I360-L379 HydrophobicContact CD1-CD2 3.51Å; I360-L379 HydrophobicContact CD1-CG 4.42Å; L375-L379 HydrophobicContact CG-CD1 4.26Å; L375-L379 WeakPolarHBondContact O-CG 3.42Å; L375-L379 PolarHBondContact O-N 2.94Å; I376-L379 PolarHBondContact O-N 2.97Å; Q377-L379 VanDerWaalsContact C-N 3.31Å; Q377-L379 PolarHBondContact O-N 3.23Å; L379-R382 PolarHBondContact O-N 3.39Å; L379-L389 HydrophobicContact CD1-CD1 4.27Å; L379-L389 HydrophobicContact CD1-CD2 3.99Å; L379-L389 HydrophobicContact CD1-CG 4.5Å
380	A	93.8	Very high	94.3	Very high	28 Å²	28	46.3 Å²	46.3	23%	0.231	24%	0.238	C	C	.	.	H	α-helix	trans	-68.2	-38.3	177.5	0	0	0	0	0	112.3	I376 Q377 Y378 R382 R383 A423	I376-A380 WeakPolarHBondContact O-CB 3.15Å; I376-A380 PolarHBondContact O-N 3.32Å; Q377-A380 WeakPolarHBondContact O-CB 3.26Å; Q377-A380 PolarHBondContact O-N 3.11Å; Q377-A380 VanDerWaalsContact O-N 3.1Å; Y378-A380 VanDerWaalsContact C-N 3.34Å; A380-R382 PolarHBondContact O-N 3.13Å; A380-R383 PolarHBondContact O-N 3.13Å; A380-A423 HydrophobicContact CB-CB 4.01Å
381	D	92.2	Very high	94.6	Very high	87 Å²	87	44.3 Å²	44.3	47%	0.465	23%	0.225	S	C	.	.	H	α-helix	trans	-63.1	-25.6	179.1	-67.1	-18.7	0	0	0	112.5	Q377 Y378 R383	Q377-D381 PolarHBondContact NE2-OD1 3.01Å; Q377-D381 PolarHBondContact O-N 3.35Å; Y378-D381 PolarHBondContact O-N 2.84Å; D381-R383 PolarHBondContact O-N 3.31Å
382	R	91.2	Very high	94.8	Very high	134 Å²	134	44.1 Å²	44.1	51%	0.506	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-14.7	172.9	-67.3	-72.4	-167.1	-144.8	-1.2	114	V351 Y378 L379 A380 V384	V351-R382 HydrophobicContact CG1-CG 3.85Å; Y378-R382 PolarHBondContact O-N 3.43Å; L379-R382 PolarHBondContact O-N 3.39Å; A380-R382 PolarHBondContact O-N 3.13Å; R382-V384 HydrophobicContact CB-CG2 4.23Å; R382-V384 PolarHBondContact O-N 2.87Å; R382-V384 VanDerWaalsContact O-N 3.15Å
383	R	89.1	Confident	94.8	Very high	225 Å²	225	44 Å²	44	85%	0.849	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.3	28.3	177.2	-59.3	179.2	178.1	146.3	1.3	115.4	A380 D381 Q385	A380-R383 PolarHBondContact O-N 3.13Å; D381-R383 PolarHBondContact O-N 3.31Å; R383-Q385 PolarHBondContact O-N 3.26Å
384	V	91.6	Very high	94.9	Very high	30 Å²	30	43.5 Å²	43.5	18%	0.182	22%	0.219	C	C	.	.			trans	-77	118.4	173.8	-179.6	0	0	0	0	109.1	R358 R382 R387	R358-V384 HydrophobicContact CG-CG1 4.24Å; R382-V384 HydrophobicContact CB-CG2 4.23Å; R382-V384 PolarHBondContact O-N 2.87Å; R382-V384 VanDerWaalsContact O-N 3.15Å; V384-R387 HydrophobicContact CB-CG 3.84Å; V384-R387 HydrophobicContact CG1-CG 4.03Å; V384-R387 WeakPolarHBondContact O-CG 3.44Å
385	Q	90.2	Very high	95.1	Very high	167 Å²	167	43.2 Å²	43.2	78%	0.78	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.3	141.4	-179.3	-66	-174.3	-4.4	0	0	112.1	R383	R383-Q385 PolarHBondContact O-N 3.26Å
386	G	91.2	Very high	95	Very high	64 Å²	64	44.6 Å²	44.6	66%	0.66	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.3	32.4	176.4	0	0	0	0	0	113.6
387	R	95.1	Very high	95	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.015	25%	0.249	C	C	.	.			trans	-66.1	133.3	171.5	-82.1	-99.5	-143.5	-153.1	-0.1	110.4	G355 H357 R358 V384 V425 E426	G355-R387 PolarHBondContact O-NH1 2.84Å; G355-R387 PolarHBondContact O-NH2 2.91Å; H357-R387 PolarHBondContact O-NH1 3.2Å; R358-R387 CarbonylContact O-C 3.58Å; R358-R387 WeakPolarHBondContact O-CA 3.37Å; V384-R387 HydrophobicContact CB-CG 3.84Å; V384-R387 HydrophobicContact CG1-CG 4.03Å; V384-R387 WeakPolarHBondContact O-CG 3.44Å; R387-V425 HydrophobicContact CB-CG1 4.4Å; R387-V425 HydrophobicContact CB-CG2 4.47Å; R387-E426 PolarHBondContact O-N 3.06Å
388	S	97	Very high	94.9	Very high	22 Å²	22	48.3 Å²	48.3	15%	0.154	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	135.9	165.9	65.6	0	0	0	0	110.3	R358 A359 I360 E426	R358-S388 PolarHBondContact O-N 3.42Å; A359-S388 WeakPolarHBondContact CA-OG 3.39Å; I360-S388 PolarHBondContact N-O 3.42Å; S388-E426 CarbonylContact C-O 3.52Å; S388-E426 VanDerWaalsContact CA-O 3.29Å; S388-E426 WeakPolarHBondContact CA-O 3.42Å
389	L	98.2	Very high	95	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.01	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	110.8	176.2	177.8	63.8	0	0	0	108.5	I360 L362 L375 I376 L379 V391 V425 E426 Y427 R428	I360-L389 HydrophobicContact CB-CD1 4.12Å; I360-L389 HydrophobicContact CG2-CD1 3.92Å; L362-L389 HydrophobicContact CB-CD1 4.19Å; L375-L389 HydrophobicContact CD2-CD2 4.27Å; I376-L389 HydrophobicContact CG1-CD2 3.86Å; L379-L389 HydrophobicContact CD1-CD1 4.27Å; L379-L389 HydrophobicContact CD1-CD2 3.99Å; L379-L389 HydrophobicContact CD1-CG 4.5Å; L389-V391 HydrophobicContact CD1-CG2 4.31Å; L389-V391 HydrophobicContact CD2-CG2 4.14Å; L389-V391 HydrophobicContact CG-CG2 3.94Å; L389-V425 HydrophobicContact CB-CG1 3.81Å; L389-E426 PolarHBondContact N-O 3.41Å; L389-Y427 HydrophobicContact CB-CD2 4.42Å; L389-Y427 HydrophobicContact CD2-CD2 4.17Å; L389-Y427 HydrophobicContact CD2-CE2 4.09Å; L389-Y427 HydrophobicContact CG-CD2 4.35Å; L389-Y427 HydrophobicContact CG-CE2 4.44Å; L389-Y427 WeakPolarHBondContact O-CA 3.27Å; L389-R428 PolarHBondContact O-N 3.27Å
390	K	98.4	Very high	95	Very high	20 Å²	20	52 Å²	52	9%	0.087	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	121.2	168.5	176.1	-176	162.2	-153.4	0	108.4	I360 H361 L362 R428 L444 C445 E450	I360-K390 PolarHBondContact O-N 2.99Å; H361-K390 CarbonylContact C-O 3.55Å; H361-K390 WeakPolarHBondContact CA-O 3.46Å; H361-K390 PolarHBondContact CD2-O 3.12Å; H361-K390 PolarHBondContact CE1-NZ 3.04Å; H361-K390 PolarHBondContact ND1-NZ 3.17Å; L362-K390 PolarHBondContact N-O 3Å; K390-R428 CarbonylContact C-O 3.31Å; K390-R428 WeakPolarHBondContact CA-O 3.48Å; K390-R428 HydrophobicContact CB-CB 4.43Å; K390-R428 HydrophobicContact CG-CB 4.44Å; K390-L444 PolarHBondContact NZ-O 3.34Å; K390-C445 PolarHBondContact NZ-O 3.49Å; K390-E450 IonicContact NZ-OE2 3.23Å
391	V	98.6	Very high	95.1	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	129.1	175.1	179	0	0	0	0	109	L362 L389 Y427 R428 F429 T430	L362-V391 HydrophobicContact CB-CG2 4.37Å; L362-V391 HydrophobicContact CD2-CG2 4.35Å; L362-V391 CarbonylContact O-C 3.54Å; L362-V391 WeakPolarHBondContact O-CA 3.48Å; L389-V391 HydrophobicContact CD1-CG2 4.31Å; L389-V391 HydrophobicContact CD2-CG2 4.14Å; L389-V391 HydrophobicContact CG-CG2 3.94Å; V391-Y427 HydrophobicContact CG2-CE2 3.74Å; V391-R428 PolarHBondContact N-O 3.23Å; V391-F429 HydrophobicContact CB-CD2 3.73Å; V391-F429 HydrophobicContact CB-CE2 4.13Å; V391-F429 HydrophobicContact CG1-CD2 3.75Å; V391-F429 HydrophobicContact CG1-CE2 3.59Å; V391-F429 CarbonylContact O-C 3.54Å; V391-F429 WeakPolarHBondContact O-CA 3.43Å; V391-T430 PolarHBondContact O-N 3.48Å
392	T	98.6	Very high	95.3	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	110.5	172	-62.9	0	0	0	0	109.8	H361 L362 D364 V394 T430 V432 L444	H361-T392 WeakPolarHBondContact NE2-CB 3.45Å; H361-T392 PolarHBondContact NE2-OG1 2.98Å; L362-T392 PolarHBondContact O-N 3.48Å; D364-T392 PolarHBondContact N-O 3.33Å; T392-V394 HydrophobicContact CG2-CG2 4.31Å; T392-T430 CarbonylContact C-O 3.02Å; T392-T430 WeakPolarHBondContact CA-O 3.49Å; T392-T430 PolarHBondContact OG1-OG1 2.95Å; T392-V432 HydrophobicContact CG2-CB 4.06Å; T392-V432 HydrophobicContact CG2-CG2 3.61Å; T392-L444 HydrophobicContact CG2-CD2 3.84Å
393	A	98.5	Very high	95.5	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.008	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	115.6	170.8	0	0	0	0	0	109.4	D364 V367 L409 F429 T430 V431 V432	D364-A393 CarbonylContact O-C 3.53Å; D364-A393 WeakPolarHBondContact O-CA 3.43Å; V367-A393 HydrophobicContact CG2-CB 3.77Å; A393-L409 HydrophobicContact CB-CD1 3.82Å; A393-L409 HydrophobicContact CB-CD2 4.34Å; A393-F429 HydrophobicContact CB-CE1 4.28Å; A393-F429 HydrophobicContact CB-CE2 4.47Å; A393-F429 HydrophobicContact CB-CZ 3.72Å; A393-T430 PolarHBondContact N-O 3.18Å; A393-V431 HydrophobicContact CB-CG2 4.43Å; A393-V431 WeakPolarHBondContact O-CA 3.41Å; A393-V432 PolarHBondContact O-N 3.02Å
394	V	98.3	Very high	95.9	Very high	6 Å²	6	39.3 Å²	39.3	4%	0.036	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	129.2	177.6	-176.6	0	0	0	0	109.4	V363 D364 F365 T392 V432 L439 L444	V363-V394 HydrophobicContact CG1-CG2 3.59Å; D364-V394 PolarHBondContact O-N 3.47Å; F365-V394 HydrophobicContact CD1-CB 3.76Å; F365-V394 HydrophobicContact CD1-CG1 3.93Å; F365-V394 HydrophobicContact CE1-CB 3.63Å; F365-V394 HydrophobicContact CE1-CG1 3.52Å; F365-V394 HydrophobicContact CE1-CG2 4.21Å; F365-V394 HydrophobicContact CG-CB 4.39Å; F365-V394 HydrophobicContact CZ-CB 4.16Å; F365-V394 HydrophobicContact CZ-CG1 4.29Å; F365-V394 HydrophobicContact CZ-CG2 4.25Å; T392-V394 HydrophobicContact CG2-CG2 4.31Å; V394-V432 WeakPolarHBondContact CA-O 3.43Å; V394-L439 HydrophobicContact CG1-CD1 4.2Å; V394-L439 HydrophobicContact CG2-CD1 4.3Å; V394-L444 HydrophobicContact CG2-CD2 3.68Å
395	T	97.3	Very high	96.1	Very high	4 Å²	4	38.4 Å²	38.4	3%	0.025	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	141.3	178.4	64.6	0	0	0	0	109.9	L405 T406 V431 V432 S433 C434	T395-L405 HydrophobicContact CG2-CD2 3.77Å; T395-L405 HydrophobicContact CG2-CG 4.2Å; T395-T406 HydrophobicContact CG2-CG2 3.89Å; T395-V431 HydrophobicContact CG2-CG1 4Å; T395-V432 PolarHBondContact N-O 3.35Å; T395-V432 PolarHBondContact OG1-O 3.05Å; T395-S433 CarbonylContact O-C 3.41Å; T395-S433 VanDerWaalsContact O-CA 3.31Å; T395-S433 WeakPolarHBondContact O-CA 3.15Å; T395-S433 WeakPolarHBondContact OG1-CA 3.46Å; T395-S433 PolarHBondContact OG1-OG 3.13Å; T395-C434 PolarHBondContact O-N 3.23Å; T395-C434 VanDerWaalsContact O-O 3.09Å
396	D	96.2	Very high	96.5	Very high	34 Å²	34	33.1 Å²	33.1	18%	0.182	21%	0.207	C	C	.	.			trans	-101.6	115.1	176.3	-172.6	-32.5	0	0	0	109.6	S398 S399 T402	D396-S398 VanDerWaalsContact CG-OG 3.26Å; D396-S398 PolarHBondContact O-N 3.06Å; D396-S398 WeakPolarHBondContact OD1-CA 3.29Å; D396-S398 WeakPolarHBondContact OD1-CB 3.29Å; D396-S398 PolarHBondContact OD1-N 2.63Å; D396-S398 PolarHBondContact OD1-OG 3.37Å; D396-S398 PolarHBondContact OD2-OG 3.06Å; D396-S399 WeakPolarHBondContact O-CB 3.39Å; D396-S399 PolarHBondContact O-N 3.34Å; D396-T402 WeakPolarHBondContact O-CB 3.41Å; D396-T402 PolarHBondContact O-OG1 3.28Å
397	P	95.6	Very high	96.7	Very high	82 Å²	82	32.9 Å²	32.9	53%	0.532	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-16.9	-179.2	26.8	-34.8	0	0	0	113.9	R435	P397-R435 HydrophobicContact CG-CG 4.31Å
398	S	93.2	Very high	96.8	Very high	85 Å²	85	33.7 Å²	33.7	59%	0.594	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-12.9	174.3	72.7	0	0	0	0	114	D396	D396-S398 VanDerWaalsContact CG-OG 3.26Å; D396-S398 PolarHBondContact O-N 3.06Å; D396-S398 WeakPolarHBondContact OD1-CA 3.29Å; D396-S398 WeakPolarHBondContact OD1-CB 3.29Å; D396-S398 PolarHBondContact OD1-N 2.63Å; D396-S398 PolarHBondContact OD1-OG 3.37Å; D396-S398 PolarHBondContact OD2-OG 3.06Å
399	S	95.3	Very high	96.8	Very high	33 Å²	33	32.9 Å²	32.9	23%	0.231	20%	0.199	C	C	.	.			trans	-75.8	132.5	178.1	174.7	0	0	0	0	111.1	D396 F401 T402	D396-S399 WeakPolarHBondContact O-CB 3.39Å; D396-S399 PolarHBondContact O-N 3.34Å; S399-F401 PolarHBondContact O-N 3.47Å; S399-F401 PolarHBondContact OG-N 2.87Å; S399-T402 WeakPolarHBondContact O-CB 3.39Å; S399-T402 PolarHBondContact O-N 3.31Å; S399-T402 PolarHBondContact O-OG1 3.11Å
400	P	95.4	Very high	96.7	Very high	65 Å²	65	36.6 Å²	36.6	42%	0.422	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-16.7	176.8	31.8	-37.2	0	0	0	112.4	C321 L555	C321-P400 WeakPolarHBondContact CB-O 3.35Å; P400-L555 HydrophobicContact CB-CD1 4.45Å; P400-L555 HydrophobicContact CG-CD1 3.74Å; P400-L555 HydrophobicContact CG-CD2 4.24Å
401	F	96.5	Very high	96.7	Very high	25 Å²	25	38.5 Å²	38.5	11%	0.11	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-9.9	178.3	-59.7	-76	0	0	0	113.9	L320 C321 S399 Q403 S404 L405 H462 L555	L320-F401 HydrophobicContact CG-CE1 4.39Å; C321-F401 HydrophobicContact CB-CD1 4.43Å; S399-F401 PolarHBondContact O-N 3.47Å; S399-F401 PolarHBondContact OG-N 2.87Å; F401-Q403 VanDerWaalsContact C-N 3.31Å; F401-Q403 PolarHBondContact O-N 3.18Å; F401-S404 PolarHBondContact O-N 2.91Å; F401-S404 PolarHBondContact O-OG 2.94Å; F401-L405 PolarHBondContact O-N 3.46Å; F401-L405 VanDerWaalsContact O-N 3.07Å; F401-H462 HydrophobicContact CD2-CB 3.95Å; F401-H462 AromaticContact CD2-ND1 3.93Å; F401-H462 HydrophobicContact CE2-CB 3.74Å; F401-H462 AromaticContact CE2-CG 3.6Å; F401-H462 AromaticContact CE2-ND1 3.82Å; F401-L555 HydrophobicContact CE2-CB 4.06Å; F401-L555 HydrophobicContact CE2-CD1 4.24Å; F401-L555 HydrophobicContact CZ-CB 3.84Å; F401-L555 HydrophobicContact CZ-CD1 4.03Å
402	T	96.4	Very high	96.6	Very high	22 Å²	22	39 Å²	39	14%	0.135	25%	0.246	C	C	.	.	H	α-helix	trans	-63.3	-34.9	-172.7	-72.8	0	0	0	0	113.2	D396 S399 T406	D396-T402 WeakPolarHBondContact O-CB 3.41Å; D396-T402 PolarHBondContact O-OG1 3.28Å; S399-T402 WeakPolarHBondContact O-CB 3.39Å; S399-T402 PolarHBondContact O-N 3.31Å; S399-T402 PolarHBondContact O-OG1 3.11Å; T402-T406 HydrophobicContact CG2-CG2 4.04Å; T402-T406 WeakPolarHBondContact O-CB 3.48Å; T402-T406 WeakPolarHBondContact O-CG2 3.19Å; T402-T406 PolarHBondContact O-N 3.47Å; T402-T406 PolarHBondContact O-OG1 3.07Å
403	Q	95.9	Very high	96.5	Very high	156 Å²	156	42.3 Å²	42.3	73%	0.729	26%	0.261	S	S	*	.	H	α-helix	trans	-63.2	-45.5	178.2	-173.4	-178.9	18.1	0	0	111.7	F401 T406 A407	F401-Q403 VanDerWaalsContact C-N 3.31Å; F401-Q403 PolarHBondContact O-N 3.18Å; Q403-T406 PolarHBondContact O-OG1 3.38Å; Q403-A407 VanDerWaalsContact O-CB 3.26Å; Q403-A407 WeakPolarHBondContact O-CB 3.18Å; Q403-A407 PolarHBondContact O-N 2.96Å
404	S	96.7	Very high	96.5	Very high	4 Å²	4	47.4 Å²	47.4	3%	0.028	29%	0.285	C	S	.	.	H	α-helix	trans	-72.4	-37	-179.2	52.2	0	0	0	0	112.5	C321 S322 R326 F401 S408	C321-S404 WeakPolarHBondContact O-CB 3.49Å; C321-S404 PolarHBondContact O-OG 3.39Å; S322-S404 WeakPolarHBondContact O-CB 3.24Å; R326-S404 VanDerWaalsContact CD-C 3.48Å; R326-S404 WeakPolarHBondContact CD-O 3.44Å; F401-S404 PolarHBondContact O-N 2.91Å; F401-S404 PolarHBondContact O-OG 2.94Å; S404-S408 PolarHBondContact O-N 3.29Å
405	L	96.6	Very high	96.5	Very high	11 Å²	11	53.5 Å²	53.5	6%	0.058	31%	0.307	C	S	.	.	H	α-helix	trans	-58.2	-60.6	171.4	173.4	56.7	0	0	0	110.8	R326 T395 F401 A407 S408 L409	R326-L405 VanDerWaalsContact CZ-CD1 3.49Å; T395-L405 HydrophobicContact CG2-CD2 3.77Å; T395-L405 HydrophobicContact CG2-CG 4.2Å; F401-L405 PolarHBondContact O-N 3.46Å; F401-L405 VanDerWaalsContact O-N 3.07Å; L405-A407 VanDerWaalsContact C-N 3.3Å; L405-A407 PolarHBondContact O-N 2.96Å; L405-S408 PolarHBondContact O-N 3.41Å; L405-S408 PolarHBondContact O-OG 2.91Å; L405-L409 HydrophobicContact CD1-CD1 4.48Å; L405-L409 HydrophobicContact CD1-CD2 3.87Å; L405-L409 HydrophobicContact CD1-CG 4.24Å; L405-L409 WeakPolarHBondContact O-CG 3.36Å; L405-L409 PolarHBondContact O-N 3.27Å
406	T	97	Very high	96.5	Very high	55 Å²	55	53.3 Å²	53.3	34%	0.337	31%	0.306	S	S	.	.	H	α-helix	trans	-59.9	-35.7	-176.2	52	0	0	0	0	113.3	T395 T402 Q403 S408 L409 P410	T395-T406 HydrophobicContact CG2-CG2 3.89Å; T402-T406 HydrophobicContact CG2-CG2 4.04Å; T402-T406 WeakPolarHBondContact O-CB 3.48Å; T402-T406 WeakPolarHBondContact O-CG2 3.19Å; T402-T406 PolarHBondContact O-N 3.47Å; T402-T406 PolarHBondContact O-OG1 3.07Å; Q403-T406 PolarHBondContact O-OG1 3.38Å; T406-S408 PolarHBondContact O-N 2.87Å; T406-L409 PolarHBondContact O-N 3.27Å; T406-P410 WeakPolarHBondContact O-CD 3.24Å
407	A	97	Very high	96.6	Very high	60 Å²	60	56.3 Å²	56.3	50%	0.496	32%	0.318	S	S	.	.	H	α-helix	trans	-62.7	-29.1	175.6	0	0	0	0	0	113.4	V323 Q403 L405	V323-A407 HydrophobicContact CG2-CB 3.91Å; Q403-A407 VanDerWaalsContact O-CB 3.26Å; Q403-A407 WeakPolarHBondContact O-CB 3.18Å; Q403-A407 PolarHBondContact O-N 2.96Å; L405-A407 VanDerWaalsContact C-N 3.3Å; L405-A407 PolarHBondContact O-N 2.96Å
408	S	95.4	Very high	96.7	Very high	21 Å²	21	57.1 Å²	57.1	15%	0.147	31%	0.313	C	S	.	.	H	α-helix	trans	-86.9	-24.6	-178.4	70.1	0	0	0	0	114.2	R326 S404 L405 T406 A411 I412	R326-S408 PolarHBondContact NE-OG 2.7Å; S404-S408 PolarHBondContact O-N 3.29Å; L405-S408 PolarHBondContact O-N 3.41Å; L405-S408 PolarHBondContact O-OG 2.91Å; T406-S408 PolarHBondContact O-N 2.87Å; S408-A411 PolarHBondContact O-N 2.92Å; S408-I412 WeakPolarHBondContact O-CG1 3.4Å; S408-I412 PolarHBondContact O-N 3.45Å
409	L	97.4	Very high	96.9	Very high	4 Å²	4	55.3 Å²	55.3	2%	0.021	30%	0.296	C	S	.	.	H	α-helix	trans	-60.5	-43	-170.9	-66.9	-178.4	0	0	0	114.6	V367 A393 L405 T406 A411 I412 E413 F429 V431	V367-L409 HydrophobicContact CB-CD2 3.91Å; V367-L409 HydrophobicContact CG1-CD2 4.39Å; V367-L409 HydrophobicContact CG2-CD2 4.49Å; A393-L409 HydrophobicContact CB-CD1 3.82Å; A393-L409 HydrophobicContact CB-CD2 4.34Å; L405-L409 HydrophobicContact CD1-CD1 4.48Å; L405-L409 HydrophobicContact CD1-CD2 3.87Å; L405-L409 HydrophobicContact CD1-CG 4.24Å; L405-L409 WeakPolarHBondContact O-CG 3.36Å; L405-L409 PolarHBondContact O-N 3.27Å; T406-L409 PolarHBondContact O-N 3.27Å; L409-A411 VanDerWaalsContact C-N 3.33Å; L409-A411 PolarHBondContact O-N 3.5Å; L409-I412 PolarHBondContact O-N 3.03Å; L409-I412 VanDerWaalsContact O-N 3.11Å; L409-E413 WeakPolarHBondContact O-CB 3.38Å; L409-E413 PolarHBondContact O-N 2.8Å; L409-F429 HydrophobicContact CB-CE1 4.38Å; L409-F429 HydrophobicContact CD2-CZ 4.05Å; L409-V431 HydrophobicContact CD1-CB 4.48Å; L409-V431 HydrophobicContact CD1-CG1 3.97Å; L409-V431 HydrophobicContact CD1-CG2 3.64Å
410	P	97.5	Very high	97	Very high	81 Å²	81	53.7 Å²	53.7	53%	0.526	29%	0.285	S	S	.	.	H	α-helix	trans	-59.2	-42	-177.7	-26.4	35.2	0	0	0	113.3	T406 E414	T406-P410 WeakPolarHBondContact O-CD 3.24Å; P410-E414 PolarHBondContact O-N 2.99Å; P410-E414 VanDerWaalsContact O-N 3.12Å
411	A	96.5	Very high	97.1	Very high	60 Å²	60	56.4 Å²	56.4	50%	0.496	29%	0.292	S	S	.	.	H	α-helix	trans	-70.3	-33.9	178.3	0	0	0	0	0	112.1	S408 L409 R415	S408-A411 PolarHBondContact O-N 2.92Å; L409-A411 VanDerWaalsContact C-N 3.33Å; L409-A411 PolarHBondContact O-N 3.5Å; A411-R415 WeakPolarHBondContact O-CD 3.34Å; A411-R415 VanDerWaalsContact O-CG 3.24Å; A411-R415 WeakPolarHBondContact O-CG 3.45Å; A411-R415 PolarHBondContact O-N 2.88Å
412	I	97	Very high	97.1	Very high	9 Å²	9	65.7 Å²	65.7	5%	0.046	33%	0.326	C	S	.	.	H	α-helix	trans	-68.9	-48.3	175.7	-67	169.9	0	0	0	110	V367 F369 S408 L409 E414 R415 L416	V367-I412 HydrophobicContact CG1-CG2 3.95Å; F369-I412 HydrophobicContact CB-CG1 4.38Å; F369-I412 HydrophobicContact CB-CG2 4.28Å; S408-I412 WeakPolarHBondContact O-CG1 3.4Å; S408-I412 PolarHBondContact O-N 3.45Å; L409-I412 PolarHBondContact O-N 3.03Å; L409-I412 VanDerWaalsContact O-N 3.11Å; I412-E414 PolarHBondContact O-N 3.16Å; I412-R415 PolarHBondContact O-N 3.49Å; I412-L416 HydrophobicContact CG2-CD1 3.54Å; I412-L416 HydrophobicContact CG2-CG 4.01Å; I412-L416 WeakPolarHBondContact O-CB 3.3Å; I412-L416 WeakPolarHBondContact O-CG 3.46Å; I412-L416 PolarHBondContact O-N 3.35Å
413	E	98	Very high	97	Very high	70 Å²	70	66.1 Å²	66.1	33%	0.327	33%	0.332	S	S	.	.	H	α-helix	trans	-54.7	-50.4	178.6	177.3	-177.2	173.6	0	0	111.3	L409 R415 L416 K417 F429	L409-E413 WeakPolarHBondContact O-CB 3.38Å; L409-E413 PolarHBondContact O-N 2.8Å; E413-R415 VanDerWaalsContact C-N 3.28Å; E413-R415 PolarHBondContact O-N 2.82Å; E413-L416 PolarHBondContact O-N 2.83Å; E413-K417 VanDerWaalsContact O-CB 3.29Å; E413-K417 WeakPolarHBondContact O-CB 3.46Å; E413-K417 PolarHBondContact O-N 3.46Å; E413-F429 HydrophobicContact CB-CD1 3.94Å; E413-F429 HydrophobicContact CB-CE1 4.33Å; E413-F429 HydrophobicContact CB-CG 4.16Å; E413-F429 HydrophobicContact CG-CB 3.68Å; E413-F429 HydrophobicContact CG-CD1 3.83Å; E413-F429 HydrophobicContact CG-CG 3.83Å
414	E	97.9	Very high	96.9	Very high	108 Å²	108	61.6 Å²	61.6	51%	0.505	33%	0.328	S	S	.	.	H	α-helix	trans	-57.7	-43	-179.4	-169.7	-166	159.2	0	0	111.7	P410 I412 K418	P410-E414 PolarHBondContact O-N 2.99Å; P410-E414 VanDerWaalsContact O-N 3.12Å; I412-E414 PolarHBondContact O-N 3.16Å; E414-K418 WeakPolarHBondContact O-CG 3.38Å; E414-K418 PolarHBondContact O-N 2.97Å; E414-K418 IonicContact OE1-NZ 3.45Å; E414-K418 PolarHBondContact OE1-NZ 2.67Å
415	R	97.9	Very high	96.9	Very high	134 Å²	134	61.8 Å²	61.8	51%	0.506	33%	0.329	S	S	.	.	H	α-helix	trans	-70.9	-41.9	-179.8	-67.3	169.6	62.5	-177.8	2.5	112	F369 A411 I412 E413 L419	F369-R415 HydrophobicContact CD2-CB 3.76Å; F369-R415 HydrophobicContact CE2-CB 3.42Å; F369-R415 VanDerWaalsContact CE2-CB 3.42Å; F369-R415 HydrophobicContact CE2-CG 4.49Å; F369-R415 HydrophobicContact CZ-CB 4.35Å; A411-R415 WeakPolarHBondContact O-CD 3.34Å; A411-R415 VanDerWaalsContact O-CG 3.24Å; A411-R415 WeakPolarHBondContact O-CG 3.45Å; A411-R415 PolarHBondContact O-N 2.88Å; I412-R415 PolarHBondContact O-N 3.49Å; E413-R415 VanDerWaalsContact C-N 3.28Å; E413-R415 PolarHBondContact O-N 2.82Å; R415-L419 WeakPolarHBondContact O-CB 3.38Å; R415-L419 PolarHBondContact O-N 3.32Å; R415-L419 VanDerWaalsContact O-N 3.09Å
416	L	98.2	Very high	96.9	Very high	0 Å²	0	66 Å²	66	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-67.1	-40.9	178.3	-70.1	177.9	0	0	0	111.5	F369 H372 I376 I412 E413 K418 L419 A420 Y427	F369-L416 HydrophobicContact CD2-CD2 3.73Å; F369-L416 HydrophobicContact CD2-CG 4.02Å; F369-L416 HydrophobicContact CE2-CD2 3.91Å; F369-L416 HydrophobicContact CE2-CG 4.4Å; H372-L416 HydrophobicContact CB-CD1 3.57Å; H372-L416 HydrophobicContact CB-CD2 3.57Å; H372-L416 HydrophobicContact CB-CG 4.24Å; I376-L416 HydrophobicContact CD1-CB 4.38Å; I376-L416 HydrophobicContact CD1-CD2 4.04Å; I412-L416 HydrophobicContact CG2-CD1 3.54Å; I412-L416 HydrophobicContact CG2-CG 4.01Å; I412-L416 WeakPolarHBondContact O-CB 3.3Å; I412-L416 WeakPolarHBondContact O-CG 3.46Å; I412-L416 PolarHBondContact O-N 3.35Å; E413-L416 PolarHBondContact O-N 2.83Å; L416-K418 PolarHBondContact O-N 3.31Å; L416-L419 PolarHBondContact O-N 3.32Å; L416-L419 VanDerWaalsContact O-N 3.12Å; L416-A420 WeakPolarHBondContact O-CB 3.38Å; L416-A420 PolarHBondContact O-N 3Å; L416-Y427 HydrophobicContact CB-CE1 4.07Å; L416-Y427 HydrophobicContact CB-CE2 4.39Å; L416-Y427 WeakPolarHBondContact CB-OH 3.33Å; L416-Y427 VanDerWaalsContact CD1-OH 3.29Å; L416-Y427 WeakPolarHBondContact CD1-OH 3.31Å
417	K	98	Very high	97	Very high	98 Å²	98	64.5 Å²	64.5	43%	0.426	34%	0.336	S	S	.	.	H	α-helix	trans	-57.6	-49.6	175.2	-176.5	176.5	179.3	177.9	0	111.4	E413 L419 A420 E421 Y427	E413-K417 VanDerWaalsContact O-CB 3.29Å; E413-K417 WeakPolarHBondContact O-CB 3.46Å; E413-K417 PolarHBondContact O-N 3.46Å; K417-L419 VanDerWaalsContact C-N 3.27Å; K417-L419 PolarHBondContact O-N 2.95Å; K417-A420 PolarHBondContact O-N 3.21Å; K417-E421 WeakPolarHBondContact CE-OE1 3.31Å; K417-E421 WeakPolarHBondContact CG-OE1 3.49Å; K417-E421 WeakPolarHBondContact O-CB 3.45Å; K417-E421 VanDerWaalsContact O-CG 3.3Å; K417-E421 WeakPolarHBondContact O-CG 3.42Å; K417-E421 PolarHBondContact O-N 2.91Å; K417-Y427 HydrophobicContact CB-CD1 3.88Å; K417-Y427 HydrophobicContact CB-CE1 4.29Å; K417-Y427 HydrophobicContact CG-CD1 4.31Å
418	K	97.9	Very high	97	Very high	99 Å²	99	68 Å²	68	43%	0.43	34%	0.337	S	S	.	.	H	α-helix	trans	-59.5	-36.3	175.6	-73.6	170.8	177	170	0	112.7	E414 L416 R422	E414-K418 WeakPolarHBondContact O-CG 3.38Å; E414-K418 PolarHBondContact O-N 2.97Å; E414-K418 IonicContact OE1-NZ 3.45Å; E414-K418 PolarHBondContact OE1-NZ 2.67Å; L416-K418 PolarHBondContact O-N 3.31Å; K418-R422 WeakPolarHBondContact O-CD 3.39Å; K418-R422 VanDerWaalsContact O-CG 3.25Å; K418-R422 WeakPolarHBondContact O-CG 3.45Å; K418-R422 PolarHBondContact O-N 3.35Å
419	L	97.5	Very high	97.2	Very high	46 Å²	46	68 Å²	68	24%	0.241	33%	0.334	C	S	.	.	H	α-helix	trans	-71.4	-45.6	178.8	-168.3	154.4	0	0	0	111.2	F369 A373 I376 R415 L416 K417 R422 A423	F369-L419 HydrophobicContact CZ-CD1 4.28Å; A373-L419 HydrophobicContact CB-CD1 3.66Å; I376-L419 HydrophobicContact CB-CD2 3.65Å; I376-L419 HydrophobicContact CD1-CD2 4Å; I376-L419 HydrophobicContact CG1-CD2 4.44Å; I376-L419 HydrophobicContact CG2-CD2 3.33Å; R415-L419 WeakPolarHBondContact O-CB 3.38Å; R415-L419 PolarHBondContact O-N 3.32Å; R415-L419 VanDerWaalsContact O-N 3.09Å; L416-L419 PolarHBondContact O-N 3.32Å; L416-L419 VanDerWaalsContact O-N 3.12Å; K417-L419 VanDerWaalsContact C-N 3.27Å; K417-L419 PolarHBondContact O-N 2.95Å; L419-R422 PolarHBondContact O-N 3.38Å; L419-A423 WeakPolarHBondContact O-CB 3.28Å; L419-A423 PolarHBondContact O-N 3.1Å
420	A	97.4	Very high	97.2	Very high	0 Å²	0	70.6 Å²	70.6	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-63.1	-42.1	177.8	0	0	0	0	0	112.6	I376 L416 K417 R422 A423 G424 V425 Y427	I376-A420 HydrophobicContact CD1-CB 4.16Å; I376-A420 HydrophobicContact CG2-CB 4.23Å; L416-A420 WeakPolarHBondContact O-CB 3.38Å; L416-A420 PolarHBondContact O-N 3Å; K417-A420 PolarHBondContact O-N 3.21Å; A420-R422 VanDerWaalsContact C-N 3.32Å; A420-R422 PolarHBondContact O-N 3.48Å; A420-A423 CarbonylContact O-C 3.53Å; A420-A423 WeakPolarHBondContact O-CA 3.48Å; A420-A423 PolarHBondContact O-N 3.29Å; A420-A423 VanDerWaalsContact O-N 3.07Å; A420-G424 PolarHBondContact O-N 3.1Å; A420-V425 CarbonylContact C-O 3.59Å; A420-V425 HydrophobicContact CB-CB 4.33Å; A420-V425 PolarHBondContact O-N 2.86Å; A420-Y427 HydrophobicContact CB-CD2 3.89Å; A420-Y427 HydrophobicContact CB-CG 3.84Å
421	E	95.9	Very high	97.2	Very high	121 Å²	121	70.1 Å²	70.1	57%	0.565	35%	0.346	S	S	*	.	H	α-helix	trans	-57.6	-43.9	174.2	-74.7	169.6	-177.9	0	0	111.6	K417 A423 G424	K417-E421 WeakPolarHBondContact CE-OE1 3.31Å; K417-E421 WeakPolarHBondContact CG-OE1 3.49Å; K417-E421 WeakPolarHBondContact O-CB 3.45Å; K417-E421 VanDerWaalsContact O-CG 3.3Å; K417-E421 WeakPolarHBondContact O-CG 3.42Å; K417-E421 PolarHBondContact O-N 2.91Å; E421-A423 VanDerWaalsContact C-N 3.3Å; E421-A423 PolarHBondContact O-N 2.98Å; E421-G424 PolarHBondContact O-N 3.4Å
422	R	96.2	Very high	97.3	Very high	220 Å²	220	68.2 Å²	68.2	83%	0.83	33%	0.328	S	S	*	.	H	α-helix	trans	-66.7	-32.1	175.8	-69.9	169.9	-174.4	-166.1	0.4	112.8	K418 L419 A420 G424	K418-R422 WeakPolarHBondContact O-CD 3.39Å; K418-R422 VanDerWaalsContact O-CG 3.25Å; K418-R422 WeakPolarHBondContact O-CG 3.45Å; K418-R422 PolarHBondContact O-N 3.35Å; L419-R422 PolarHBondContact O-N 3.38Å; A420-R422 VanDerWaalsContact C-N 3.32Å; A420-R422 PolarHBondContact O-N 3.48Å; R422-G424 VanDerWaalsContact C-N 3.27Å
423	A	95.2	Very high	97.3	Very high	31 Å²	31	70.6 Å²	70.6	26%	0.256	35%	0.345	S	S	.	.	H	α-helix	trans	-81.5	-4.3	177.9	0	0	0	0	0	113.3	I376 A380 L419 A420 E421 V425	I376-A423 HydrophobicContact CG2-CB 3.8Å; A380-A423 HydrophobicContact CB-CB 4.01Å; L419-A423 WeakPolarHBondContact O-CB 3.28Å; L419-A423 PolarHBondContact O-N 3.1Å; A420-A423 CarbonylContact O-C 3.53Å; A420-A423 WeakPolarHBondContact O-CA 3.48Å; A420-A423 PolarHBondContact O-N 3.29Å; A420-A423 VanDerWaalsContact O-N 3.07Å; E421-A423 VanDerWaalsContact C-N 3.3Å; E421-A423 PolarHBondContact O-N 2.98Å; A423-V425 HydrophobicContact CB-CG2 4.38Å
424	G	94.9	Very high	97.2	Very high	62 Å²	62	67.4 Å²	67.4	64%	0.639	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.9	25.3	-178	0	0	0	0	0	114.1	A420 E421 R422	A420-G424 PolarHBondContact O-N 3.1Å; E421-G424 PolarHBondContact O-N 3.4Å; R422-G424 VanDerWaalsContact C-N 3.27Å
425	V	96.3	Very high	97	Very high	8 Å²	8	68.7 Å²	68.7	5%	0.048	33%	0.331	C	S	.	.			trans	-106.3	124.8	177.8	-180	0	0	0	0	108.9	R387 L389 A420 A423 Y427	R387-V425 HydrophobicContact CB-CG1 4.4Å; R387-V425 HydrophobicContact CB-CG2 4.47Å; L389-V425 HydrophobicContact CB-CG1 3.81Å; A420-V425 CarbonylContact C-O 3.59Å; A420-V425 HydrophobicContact CB-CB 4.33Å; A420-V425 PolarHBondContact O-N 2.86Å; A423-V425 HydrophobicContact CB-CG2 4.38Å; V425-Y427 PolarHBondContact O-N 3.37Å
426	E	96.8	Very high	96.9	Very high	99 Å²	99	62.7 Å²	62.7	46%	0.463	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	126	171.8	-176.5	-170	174.9	0	0	109.1	R387 S388 L389 R428	R387-E426 PolarHBondContact O-N 3.06Å; S388-E426 CarbonylContact C-O 3.52Å; S388-E426 VanDerWaalsContact CA-O 3.29Å; S388-E426 WeakPolarHBondContact CA-O 3.42Å; L389-E426 PolarHBondContact N-O 3.41Å; E426-R428 IonicContact OE1-CZ 3.87Å; E426-R428 VanDerWaalsContact OE1-CZ 3.31Å; E426-R428 IonicContact OE1-NE 3.32Å; E426-R428 PolarHBondContact OE1-NE 2.99Å; E426-R428 IonicContact OE1-NH2 3.81Å; E426-R428 PolarHBondContact OE1-NH2 3.13Å; E426-R428 IonicContact OE2-NH2 2.62Å
427	Y	98.1	Very high	96.7	Very high	24 Å²	24	65.1 Å²	65.1	9%	0.094	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	130.9	-171.7	-171.6	-100.8	0	0	0	112.4	I376 L389 V391 L416 K417 A420 V425 F429	I376-Y427 HydrophobicContact CD1-CE2 4.31Å; L389-Y427 HydrophobicContact CB-CD2 4.42Å; L389-Y427 HydrophobicContact CD2-CD2 4.17Å; L389-Y427 HydrophobicContact CD2-CE2 4.09Å; L389-Y427 HydrophobicContact CG-CD2 4.35Å; L389-Y427 HydrophobicContact CG-CE2 4.44Å; L389-Y427 WeakPolarHBondContact O-CA 3.27Å; V391-Y427 HydrophobicContact CG2-CE2 3.74Å; L416-Y427 HydrophobicContact CB-CE1 4.07Å; L416-Y427 HydrophobicContact CB-CE2 4.39Å; L416-Y427 WeakPolarHBondContact CB-OH 3.33Å; L416-Y427 VanDerWaalsContact CD1-OH 3.29Å; L416-Y427 WeakPolarHBondContact CD1-OH 3.31Å; K417-Y427 HydrophobicContact CB-CD1 3.88Å; K417-Y427 HydrophobicContact CB-CE1 4.29Å; K417-Y427 HydrophobicContact CG-CD1 4.31Å; A420-Y427 HydrophobicContact CB-CD2 3.89Å; A420-Y427 HydrophobicContact CB-CG 3.84Å; V425-Y427 PolarHBondContact O-N 3.37Å; Y427-F429 HydrophobicContact CE1-CB 3.88Å; Y427-F429 HydrophobicContact CE1-CD2 4.4Å; Y427-F429 VanDerWaalsContact OH-CD2 3.28Å; Y427-F429 WeakPolarHBondContact OH-CD2 3.35Å
428	R	97.6	Very high	96.6	Very high	133 Å²	133	62.8 Å²	62.8	50%	0.502	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	137.8	172.9	-60	-179.1	-167.7	158.2	1	109	L389 K390 V391 E426	L389-R428 PolarHBondContact O-N 3.27Å; K390-R428 CarbonylContact C-O 3.31Å; K390-R428 WeakPolarHBondContact CA-O 3.48Å; K390-R428 HydrophobicContact CB-CB 4.43Å; K390-R428 HydrophobicContact CG-CB 4.44Å; V391-R428 PolarHBondContact N-O 3.23Å; E426-R428 IonicContact OE1-CZ 3.87Å; E426-R428 VanDerWaalsContact OE1-CZ 3.31Å; E426-R428 IonicContact OE1-NE 3.32Å; E426-R428 PolarHBondContact OE1-NE 2.99Å; E426-R428 IonicContact OE1-NH2 3.81Å; E426-R428 PolarHBondContact OE1-NH2 3.13Å; E426-R428 IonicContact OE2-NH2 2.62Å
429	F	98.2	Very high	96.5	Very high	20 Å²	20	58.2 Å²	58.2	9%	0.088	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	133.3	179	-168.7	-92.9	0	0	0	109.5	V367 V391 A393 L409 E413 Y427 V431	V367-F429 HydrophobicContact CG1-CE2 4.22Å; V367-F429 HydrophobicContact CG1-CZ 4.47Å; V367-F429 HydrophobicContact CG2-CE2 4.39Å; V367-F429 HydrophobicContact CG2-CZ 4.44Å; V391-F429 HydrophobicContact CB-CD2 3.73Å; V391-F429 HydrophobicContact CB-CE2 4.13Å; V391-F429 HydrophobicContact CG1-CD2 3.75Å; V391-F429 HydrophobicContact CG1-CE2 3.59Å; V391-F429 CarbonylContact O-C 3.54Å; V391-F429 WeakPolarHBondContact O-CA 3.43Å; A393-F429 HydrophobicContact CB-CE1 4.28Å; A393-F429 HydrophobicContact CB-CE2 4.47Å; A393-F429 HydrophobicContact CB-CZ 3.72Å; L409-F429 HydrophobicContact CB-CE1 4.38Å; L409-F429 HydrophobicContact CD2-CZ 4.05Å; E413-F429 HydrophobicContact CB-CD1 3.94Å; E413-F429 HydrophobicContact CB-CE1 4.33Å; E413-F429 HydrophobicContact CB-CG 4.16Å; E413-F429 HydrophobicContact CG-CB 3.68Å; E413-F429 HydrophobicContact CG-CD1 3.83Å; E413-F429 HydrophobicContact CG-CG 3.83Å; Y427-F429 HydrophobicContact CE1-CB 3.88Å; Y427-F429 HydrophobicContact CE1-CD2 4.4Å; Y427-F429 VanDerWaalsContact OH-CD2 3.28Å; Y427-F429 WeakPolarHBondContact OH-CD2 3.35Å; F429-V431 HydrophobicContact CD1-CG2 4.36Å; F429-V431 HydrophobicContact CE1-CG2 3.72Å
430	T	97.8	Very high	96.5	Very high	59 Å²	59	59 Å²	59	36%	0.362	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	148.3	175.4	60.3	0	0	0	0	110.4	V391 T392 A393	V391-T430 PolarHBondContact O-N 3.48Å; T392-T430 CarbonylContact C-O 3.02Å; T392-T430 WeakPolarHBondContact CA-O 3.49Å; T392-T430 PolarHBondContact OG1-OG1 2.95Å; A393-T430 PolarHBondContact N-O 3.18Å
431	V	98	Very high	96.4	Very high	72 Å²	72	61.1 Å²	61.1	44%	0.436	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	124.9	172.3	-173.9	0	0	0	0	108	A393 T395 L409 F429	A393-V431 HydrophobicContact CB-CG2 4.43Å; A393-V431 WeakPolarHBondContact O-CA 3.41Å; T395-V431 HydrophobicContact CG2-CG1 4Å; L409-V431 HydrophobicContact CD1-CB 4.48Å; L409-V431 HydrophobicContact CD1-CG1 3.97Å; L409-V431 HydrophobicContact CD1-CG2 3.64Å; F429-V431 HydrophobicContact CD1-CG2 4.36Å; F429-V431 HydrophobicContact CE1-CG2 3.72Å
432	V	97.9	Very high	96.4	Very high	19 Å²	19	59.8 Å²	59.8	12%	0.115	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	127.1	176.4	174.5	0	0	0	0	108.3	T392 A393 V394 T395 C434 R443 L444	T392-V432 HydrophobicContact CG2-CB 4.06Å; T392-V432 HydrophobicContact CG2-CG2 3.61Å; A393-V432 PolarHBondContact O-N 3.02Å; V394-V432 WeakPolarHBondContact CA-O 3.43Å; T395-V432 PolarHBondContact N-O 3.35Å; T395-V432 PolarHBondContact OG1-O 3.05Å; V432-C434 HydrophobicContact CG1-CB 4.43Å; V432-R443 HydrophobicContact CG1-CG 4.04Å; V432-L444 HydrophobicContact CB-CD2 4.48Å; V432-L444 HydrophobicContact CG1-CD2 4.42Å
433	S	97.2	Very high	96.4	Very high	59 Å²	59	53.7 Å²	53.7	41%	0.413	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	113.8	174.3	-165.9	0	0	0	0	109.8	T395 R443	T395-S433 CarbonylContact O-C 3.41Å; T395-S433 VanDerWaalsContact O-CA 3.31Å; T395-S433 WeakPolarHBondContact O-CA 3.15Å; T395-S433 WeakPolarHBondContact OG1-CA 3.46Å; T395-S433 PolarHBondContact OG1-OG 3.13Å; S433-R443 PolarHBondContact O-NH2 2.98Å
434	C	95.7	Very high	96.5	Very high	3 Å²	3	52.3 Å²	52.3	2%	0.02	29%	0.292	C	S	.	.			trans	-158	147.3	-179.7	65.5	0	0	0	0	111.6	T395 V432 E438 R443	T395-C434 PolarHBondContact O-N 3.23Å; T395-C434 VanDerWaalsContact O-O 3.09Å; V432-C434 HydrophobicContact CG1-CB 4.43Å; C434-E438 HydrophobicContact CB-CB 4.05Å; C434-R443 VanDerWaalsContact CB-CZ 3.43Å; C434-R443 VanDerWaalsContact CB-NE 3.33Å
435	R	95.5	Very high	96.5	Very high	135 Å²	135	52.8 Å²	52.8	51%	0.509	29%	0.285	S	S	.	.			trans	-74.2	160	169.7	-66.4	-178.9	-66.8	164.6	0.6	110.3	P397 A437 E438 L439	P397-R435 HydrophobicContact CG-CG 4.31Å; R435-A437 VanDerWaalsContact C-N 3.27Å; R435-A437 PolarHBondContact O-N 3.4Å; R435-A437 VanDerWaalsContact O-N 3.16Å; R435-E438 HydrophobicContact CB-CG 4.35Å; R435-E438 IonicContact CZ-OE1 3.02Å; R435-E438 VanDerWaalsContact CZ-OE1 3.24Å; R435-E438 PolarHBondContact N-OE2 3.21Å; R435-E438 IonicContact NE-OE1 2.72Å; R435-E438 PolarHBondContact NE-OE1 2.85Å; R435-E438 IonicContact NH2-OE1 3.15Å; R435-E438 PolarHBondContact NH2-OE1 3.3Å; R435-E438 WeakPolarHBondContact O-CA 3.02Å; R435-E438 WeakPolarHBondContact O-CB 3.48Å; R435-E438 PolarHBondContact O-N 3.41Å; R435-L439 PolarHBondContact O-N 2.84Å
436	A	93.9	Very high	96.5	Very high	9 Å²	9	53.9 Å²	53.9	7%	0.074	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-46	-48.5	177.6	0	0	0	0	0	113.4	E438 L439 P473 E476 L477 R480	A436-E438 PolarHBondContact O-N 3.44Å; A436-E438 VanDerWaalsContact O-N 3.14Å; A436-L439 WeakPolarHBondContact O-CB 3.28Å; A436-L439 PolarHBondContact O-N 3.15Å; A436-P473 HydrophobicContact CB-CB 4.36Å; A436-P473 WeakPolarHBondContact CB-O 3.38Å; A436-E476 HydrophobicContact CB-CB 4.49Å; A436-E476 HydrophobicContact CB-CG 4.26Å; A436-L477 HydrophobicContact CB-CB 3.87Å; A436-L477 HydrophobicContact CB-CD1 4.43Å; A436-R480 WeakPolarHBondContact O-CG 3.29Å
437	A	94.7	Very high	96.4	Very high	51 Å²	51	54.6 Å²	54.6	42%	0.421	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-65.9	-15.2	-179	0	0	0	0	0	114.9	R435 E476 R480	R435-A437 VanDerWaalsContact C-N 3.27Å; R435-A437 PolarHBondContact O-N 3.4Å; R435-A437 VanDerWaalsContact O-N 3.16Å; A437-E476 HydrophobicContact CB-CG 4.09Å; A437-R480 PolarHBondContact O-NE 3.07Å; A437-R480 PolarHBondContact O-NH2 3.31Å
438	E	95.9	Very high	96.1	Very high	49 Å²	49	59.5 Å²	59.5	23%	0.229	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-99.8	-2.2	-177.5	-62.6	171.2	-163.9	0	0	112.7	C434 R435 A436 D440 R443	C434-E438 HydrophobicContact CB-CB 4.05Å; R435-E438 HydrophobicContact CB-CG 4.35Å; R435-E438 IonicContact CZ-OE1 3.02Å; R435-E438 VanDerWaalsContact CZ-OE1 3.24Å; R435-E438 PolarHBondContact N-OE2 3.21Å; R435-E438 IonicContact NE-OE1 2.72Å; R435-E438 PolarHBondContact NE-OE1 2.85Å; R435-E438 IonicContact NH2-OE1 3.15Å; R435-E438 PolarHBondContact NH2-OE1 3.3Å; R435-E438 WeakPolarHBondContact O-CA 3.02Å; R435-E438 WeakPolarHBondContact O-CB 3.48Å; R435-E438 PolarHBondContact O-N 3.41Å; A436-E438 PolarHBondContact O-N 3.44Å; A436-E438 VanDerWaalsContact O-N 3.14Å; E438-D440 PolarHBondContact O-N 2.99Å; E438-R443 VanDerWaalsContact CB-NH1 3.34Å; E438-R443 VanDerWaalsContact O-CD 3.28Å; E438-R443 WeakPolarHBondContact O-CD 3.38Å; E438-R443 IonicContact OE2-CZ 3.15Å; E438-R443 IonicContact OE2-NH1 2.81Å; E438-R443 PolarHBondContact OE2-NH1 2.74Å; E438-R443 IonicContact OE2-NH2 3.65Å; E438-R443 PolarHBondContact OE2-NH2 3.26Å
439	L	96.8	Very high	95.9	Very high	2 Å²	2	56.6 Å²	56.6	1%	0.01	34%	0.343	C	S	.	.			trans	-75.1	116.8	-178.4	-172.5	77.1	0	0	0	110.4	F365 V394 R435 A436 L444 L477 R480 V481 L484	F365-L439 HydrophobicContact CZ-CD2 4.08Å; V394-L439 HydrophobicContact CG1-CD1 4.2Å; V394-L439 HydrophobicContact CG2-CD1 4.3Å; R435-L439 PolarHBondContact O-N 2.84Å; A436-L439 WeakPolarHBondContact O-CB 3.28Å; A436-L439 PolarHBondContact O-N 3.15Å; L439-L444 HydrophobicContact CD1-CD1 3.77Å; L439-L444 HydrophobicContact CD1-CD2 3.74Å; L439-L444 HydrophobicContact CD1-CG 3.93Å; L439-L444 HydrophobicContact CG-CD1 4.28Å; L439-L477 HydrophobicContact CD2-CD1 3.71Å; L439-R480 HydrophobicContact CB-CB 4.02Å; L439-R480 HydrophobicContact CD2-CB 4.07Å; L439-R480 HydrophobicContact CG-CB 4.47Å; L439-R480 WeakPolarHBondContact O-CD 3.47Å; L439-V481 HydrophobicContact CD2-CG2 3.82Å; L439-L484 HydrophobicContact CD2-CD1 4.45Å
440	D	96.6	Very high	95.8	Very high	62 Å²	62	57.1 Å²	57.1	33%	0.332	35%	0.345	S	S	.	.			trans	-148.9	168.9	172.6	66.2	48.1	0	0	0	111.1	E438 S442 R443 L444	E438-D440 PolarHBondContact O-N 2.99Å; D440-S442 PolarHBondContact O-N 3.39Å; D440-S442 WeakPolarHBondContact OD1-CA 3.5Å; D440-S442 WeakPolarHBondContact OD1-CB 3.49Å; D440-S442 PolarHBondContact OD1-N 3.02Å; D440-S442 PolarHBondContact OD1-OG 3.15Å; D440-R443 PolarHBondContact O-N 2.9Å; D440-R443 WeakPolarHBondContact OD1-CB 3.19Å; D440-R443 PolarHBondContact OD1-N 2.72Å; D440-L444 WeakPolarHBondContact O-CG 3.4Å; D440-L444 PolarHBondContact O-N 3.33Å; D440-L444 VanDerWaalsContact O-N 3.12Å
441	A	96.6	Very high	95.8	Very high	45 Å²	45	54.5 Å²	54.5	37%	0.372	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-33.6	-177.5	0	0	0	0	0	112.8	C445 C446 L484	A441-C445 PolarHBondContact O-N 3.23Å; A441-C445 VanDerWaalsContact O-N 3.12Å; A441-C446 HydrophobicContact CB-CB 4.15Å; A441-C446 PolarHBondContact O-N 2.62Å; A441-L484 HydrophobicContact CB-CD2 4.18Å
442	S	95.7	Very high	95.8	Very high	93 Å²	93	51.9 Å²	51.9	65%	0.65	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-40.6	-179.6	76.6	0	0	0	0	111.6	D440 L444 C445	D440-S442 PolarHBondContact O-N 3.39Å; D440-S442 WeakPolarHBondContact OD1-CA 3.5Å; D440-S442 WeakPolarHBondContact OD1-CB 3.49Å; D440-S442 PolarHBondContact OD1-N 3.02Å; D440-S442 PolarHBondContact OD1-OG 3.15Å; S442-L444 VanDerWaalsContact C-N 3.34Å; S442-C445 PolarHBondContact O-N 2.68Å; S442-C445 VanDerWaalsContact O-N 3.07Å
443	R	95.7	Very high	95.8	Very high	93 Å²	93	51 Å²	51	35%	0.351	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-29.4	180	-165.9	164.6	-175.1	164.7	-17.6	112.7	V432 S433 C434 E438 D440 C445	V432-R443 HydrophobicContact CG1-CG 4.04Å; S433-R443 PolarHBondContact O-NH2 2.98Å; C434-R443 VanDerWaalsContact CB-CZ 3.43Å; C434-R443 VanDerWaalsContact CB-NE 3.33Å; E438-R443 VanDerWaalsContact CB-NH1 3.34Å; E438-R443 VanDerWaalsContact O-CD 3.28Å; E438-R443 WeakPolarHBondContact O-CD 3.38Å; E438-R443 IonicContact OE2-CZ 3.15Å; E438-R443 IonicContact OE2-NH1 2.81Å; E438-R443 PolarHBondContact OE2-NH1 2.74Å; E438-R443 IonicContact OE2-NH2 3.65Å; E438-R443 PolarHBondContact OE2-NH2 3.26Å; D440-R443 PolarHBondContact O-N 2.9Å; D440-R443 WeakPolarHBondContact OD1-CB 3.19Å; D440-R443 PolarHBondContact OD1-N 2.72Å; R443-C445 VanDerWaalsContact C-N 3.25Å
444	L	96.8	Very high	95.9	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.005	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-3.4	171	-62	176.4	0	0	0	112.8	H361 V363 K390 T392 V394 V432 L439 D440 S442 C446 L484	H361-L444 PolarHBondContact CE1-O 3.17Å; V363-L444 HydrophobicContact CG1-CD1 4.18Å; V363-L444 HydrophobicContact CG1-CD2 4.37Å; V363-L444 HydrophobicContact CG2-CD1 4.03Å; K390-L444 PolarHBondContact NZ-O 3.34Å; T392-L444 HydrophobicContact CG2-CD2 3.84Å; V394-L444 HydrophobicContact CG2-CD2 3.68Å; V432-L444 HydrophobicContact CB-CD2 4.48Å; V432-L444 HydrophobicContact CG1-CD2 4.42Å; L439-L444 HydrophobicContact CD1-CD1 3.77Å; L439-L444 HydrophobicContact CD1-CD2 3.74Å; L439-L444 HydrophobicContact CD1-CG 3.93Å; L439-L444 HydrophobicContact CG-CD1 4.28Å; D440-L444 WeakPolarHBondContact O-CG 3.4Å; D440-L444 PolarHBondContact O-N 3.33Å; D440-L444 VanDerWaalsContact O-N 3.12Å; S442-L444 VanDerWaalsContact C-N 3.34Å; L444-C446 PolarHBondContact O-N 3.04Å; L444-L484 HydrophobicContact CD1-CD1 3.55Å; L444-L484 HydrophobicContact CD1-CD2 3.92Å; L444-L484 HydrophobicContact CD1-CG 4.4Å
445	C	95.3	Very high	96	Very high	73 Å²	73	48.1 Å²	48.1	49%	0.493	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	37.6	-174.6	-52.5	0	0	0	0	112.8	K390 A441 S442 R443 E447	K390-C445 PolarHBondContact NZ-O 3.49Å; A441-C445 PolarHBondContact O-N 3.23Å; A441-C445 VanDerWaalsContact O-N 3.12Å; S442-C445 PolarHBondContact O-N 2.68Å; S442-C445 VanDerWaalsContact O-N 3.07Å; R443-C445 VanDerWaalsContact C-N 3.25Å; C445-E447 PolarHBondContact O-N 3.29Å
446	C	95	Very high	96.2	Very high	31 Å²	31	41.7 Å²	41.7	21%	0.209	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-61.7	126.3	178.4	-64.2	0	0	0	0	110	H361 A441 L444	H361-C446 VanDerWaalsContact CE1-SG 3.53Å; H361-C446 PolarHBondContact ND1-SG 2.9Å; H361-C446 VanDerWaalsContact ND1-SG 3.42Å; A441-C446 HydrophobicContact CB-CB 4.15Å; A441-C446 PolarHBondContact O-N 2.62Å; L444-C446 PolarHBondContact O-N 3.04Å
447	E	94.9	Very high	96.4	Very high	113 Å²	113	41.3 Å²	41.3	53%	0.528	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-95.4	144.8	-178.7	-60.9	-64.9	151.5	0	0	111.3	C445 G449 E450	C445-E447 PolarHBondContact O-N 3.29Å; E447-G449 PolarHBondContact O-N 2.88Å; E447-E450 HydrophobicContact CB-CG 3.92Å; E447-E450 PolarHBondContact N-OE2 3.1Å; E447-E450 PolarHBondContact O-N 3.3Å
448	P	92.9	Very high	96.5	Very high	128 Å²	128	39.4 Å²	39.4	83%	0.831	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.6	129.4	174.9	-23.5	33.5	0	0	0	112
449	G	92.6	Very high	96.6	Very high	72 Å²	72	37.8 Å²	37.8	74%	0.742	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.4	-4.7	179.1	0	0	0	0	0	115.1	E447	E447-G449 PolarHBondContact O-N 2.88Å
450	E	96.1	Very high	96.6	Very high	31 Å²	31	37.7 Å²	37.7	15%	0.145	24%	0.237	C	C	.	.			trans	-72.7	138.4	168.5	-64.7	-176.6	143.5	0	0	110.9	A359 H361 K390 E447 V452	A359-E450 HydrophobicContact CB-CG 4.11Å; H361-E450 HydrophobicContact CB-CB 4.2Å; H361-E450 IonicContact CG-OE2 2.63Å; H361-E450 IonicContact ND1-OE2 2.69Å; K390-E450 IonicContact NZ-OE2 3.23Å; E447-E450 HydrophobicContact CB-CG 3.92Å; E447-E450 PolarHBondContact N-OE2 3.1Å; E447-E450 PolarHBondContact O-N 3.3Å; E450-V452 PolarHBondContact O-N 3.11Å
451	A	97.7	Very high	96.6	Very high	4 Å²	4	34.8 Å²	34.8	3%	0.033	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	104.5	165.7	0	0	0	0	0	109.3	V354 H357 A359 H361	V354-A451 HydrophobicContact CB-CB 4.3Å; V354-A451 HydrophobicContact CG1-CB 4.18Å; H357-A451 HydrophobicContact CB-CB 3.62Å; A359-A451 PolarHBondContact O-N 3.4Å; H361-A451 PolarHBondContact N-O 2.91Å
452	V	98.4	Very high	96.6	Very high	17 Å²	17	34.5 Å²	34.5	10%	0.103	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	122.7	179	-177.8	0	0	0	0	109.9	H361 V363 E450 V454 P486 Q487	H361-V452 HydrophobicContact CB-CG2 4.37Å; H361-V452 CarbonylContact O-C 3.53Å; H361-V452 WeakPolarHBondContact O-CA 3.28Å; V363-V452 HydrophobicContact CG2-CG1 4.4Å; E450-V452 PolarHBondContact O-N 3.11Å; V452-V454 HydrophobicContact CG1-CG2 4.43Å; V452-P486 HydrophobicContact CG1-CB 4.32Å; V452-P486 CarbonylContact O-C 3.53Å; V452-P486 WeakPolarHBondContact O-CA 3.47Å; V452-Q487 PolarHBondContact O-N 3.18Å
453	A	98.6	Very high	96.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	144.2	170.7	0	0	0	0	0	109.6	I350 V354 H361 L362 V363 V488	I350-A453 HydrophobicContact CG1-CB 4.5Å; I350-A453 HydrophobicContact CG2-CB 3.82Å; V354-A453 HydrophobicContact CG1-CB 4.34Å; H361-A453 PolarHBondContact O-N 3.05Å; L362-A453 CarbonylContact C-O 3.57Å; L362-A453 WeakPolarHBondContact CA-O 3.48Å; L362-A453 HydrophobicContact CD1-CB 4.19Å; V363-A453 PolarHBondContact N-O 3.44Å; A453-V488 WeakPolarHBondContact CA-O 3.38Å; A453-V488 HydrophobicContact CB-CG1 3.88Å
454	V	98.7	Very high	96.7	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	124	-179.6	-175.9	0	0	0	0	109.6	V363 F365 V452 L456 V481 P486 V488 V489 T490	V363-V454 HydrophobicContact CB-CG1 4.46Å; V363-V454 HydrophobicContact CB-CG2 4.17Å; V363-V454 CarbonylContact O-C 3.56Å; V363-V454 WeakPolarHBondContact O-CA 3.47Å; F365-V454 HydrophobicContact CE2-CG1 3.94Å; V452-V454 HydrophobicContact CG1-CG2 4.43Å; V454-L456 HydrophobicContact CG1-CG 4.32Å; V454-V481 HydrophobicContact CB-CG1 4.09Å; V454-V481 HydrophobicContact CG1-CG1 3.82Å; V454-V481 HydrophobicContact CG1-CG2 4.28Å; V454-V481 HydrophobicContact CG2-CG1 4.02Å; V454-P486 HydrophobicContact CG2-CB 3.86Å; V454-P486 HydrophobicContact CG2-CG 4.33Å; V454-V488 PolarHBondContact N-O 2.62Å; V454-V489 HydrophobicContact CB-CB 4.49Å; V454-V489 HydrophobicContact CB-CG1 4.19Å; V454-V489 HydrophobicContact CB-CG2 4.13Å; V454-V489 HydrophobicContact CG1-CG1 4.36Å; V454-V489 CarbonylContact O-C 3.58Å; V454-V489 VanDerWaalsContact O-CA 3.28Å; V454-V489 WeakPolarHBondContact O-CA 3.45Å; V454-T490 PolarHBondContact O-N 2.87Å
455	N	98.6	Very high	96.6	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	118.7	178.6	-179.1	50.8	0	0	0	110.6	I350 L362 V363 D364 Q371 T490	I350-N455 HydrophobicContact CD1-CB 4.16Å; L362-N455 HydrophobicContact CD1-CB 4.08Å; V363-N455 PolarHBondContact O-N 3.27Å; D364-N455 HydrophobicContact CB-CB 4.48Å; D364-N455 PolarHBondContact OD2-ND2 3.26Å; Q371-N455 PolarHBondContact NE2-ND2 2.93Å; Q371-N455 VanDerWaalsContact NE2-ND2 3.18Å; Q371-N455 PolarHBondContact NE2-OD1 2.85Å; Q371-N455 PolarHBondContact OE1-ND2 2.98Å; N455-T490 PolarHBondContact OD1-OG1 2.6Å
456	L	98.5	Very high	96.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	72.4	176.9	-64.4	169.1	0	0	0	108.9	F365 V454 L460 L478 V489 T490 L491 V492 F568	F365-L456 HydrophobicContact CD2-CD2 3.42Å; F365-L456 VanDerWaalsContact CD2-CD2 3.42Å; F365-L456 HydrophobicContact CE2-CD2 3.72Å; F365-L456 HydrophobicContact CG-CD2 4.1Å; V454-L456 HydrophobicContact CG1-CG 4.32Å; L456-L460 HydrophobicContact CB-CG 4.37Å; L456-L460 HydrophobicContact CD1-CD1 4.14Å; L456-L460 HydrophobicContact CD1-CD2 4.31Å; L456-L460 HydrophobicContact CD1-CG 4.37Å; L456-L460 HydrophobicContact CD2-CD2 4.05Å; L456-L460 HydrophobicContact CD2-CG 4.36Å; L456-L478 HydrophobicContact CD1-CD2 4.11Å; L456-V489 HydrophobicContact CD1-CG1 3.69Å; L456-V489 HydrophobicContact CG-CG1 4.31Å; L456-T490 WeakPolarHBondContact CB-O 3.25Å; L456-T490 PolarHBondContact N-O 2.91Å; L456-L491 HydrophobicContact CB-CD1 4.25Å; L456-L491 WeakPolarHBondContact O-CA 3.47Å; L456-V492 PolarHBondContact O-N 2.78Å; L456-F568 HydrophobicContact CD1-CZ 3.98Å
457	A	98	Very high	96.4	Very high	2 Å²	2	30.6 Å²	30.6	2%	0.017	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	113.1	178	0	0	0	0	0	110.9	L343 A459 V492	L343-A457 HydrophobicContact CD2-CB 3.66Å; A457-A459 PolarHBondContact O-N 2.63Å; A457-A459 VanDerWaalsContact O-N 3.07Å; A457-V492 CarbonylContact C-O 3.59Å; A457-V492 WeakPolarHBondContact CA-O 3.46Å; A457-V492 HydrophobicContact CB-CB 4.07Å; A457-V492 HydrophobicContact CB-CG2 4.43Å
458	F	97.4	Very high	96.3	Very high	11 Å²	11	27.8 Å²	27.8	5%	0.048	18%	0.179	C	C	.	.	S	Bend	trans	54.5	24.1	178.4	-51.3	-66.8	0	0	0	115	Q333 F339 L343 V492 Q494 T617	Q333-F458 HydrophobicContact CG-CD2 4.29Å; Q333-F458 HydrophobicContact CG-CE2 4.07Å; Q333-F458 VanDerWaalsContact NE2-CD2 3.34Å; F339-F458 AromaticContact CD1-CE1 3.9Å; F339-F458 HydrophobicContact CD1-CE1 3.9Å; F339-F458 HydrophobicContact CD1-CE2 4.04Å; F339-F458 AromaticContact CD1-CZ 3.45Å; F339-F458 HydrophobicContact CD1-CZ 3.45Å; F339-F458 VanDerWaalsContact CD1-CZ 3.45Å; F339-F458 AromaticContact CE1-CE1 3.98Å; F339-F458 HydrophobicContact CE1-CE1 3.98Å; F339-F458 HydrophobicContact CE1-CZ 4.02Å; F339-F458 HydrophobicContact CG-CZ 4.4Å; L343-F458 HydrophobicContact CD1-CE2 4.38Å; L343-F458 HydrophobicContact CD2-CD2 4.27Å; L343-F458 HydrophobicContact CD2-CE2 3.83Å; L343-F458 HydrophobicContact CG-CE2 4.1Å; F458-V492 HydrophobicContact CE1-CG1 4.02Å; F458-V492 HydrophobicContact CE2-CG1 3.9Å; F458-V492 HydrophobicContact CZ-CG1 3.54Å; F458-V492 PolarHBondContact N-O 3.03Å; F458-Q494 HydrophobicContact CD1-CG 4.19Å; F458-Q494 HydrophobicContact CE1-CG 4.02Å; F458-T617 HydrophobicContact CE1-CG2 4.09Å; F458-T617 HydrophobicContact CZ-CG2 4.11Å
459	A	96.9	Very high	96.2	Very high	14 Å²	14	23.3 Å²	23.3	12%	0.116	15%	0.151	C	C	.	.			trans	-102.9	-36.4	-173.3	0	0	0	0	0	113.1	F365 D366 A457 S461 H462	F365-A459 HydrophobicContact CB-CB 3.81Å; D366-A459 HydrophobicContact CB-CB 4.35Å; A457-A459 PolarHBondContact O-N 2.63Å; A457-A459 VanDerWaalsContact O-N 3.07Å; A459-S461 PolarHBondContact O-N 2.8Å; A459-H462 PolarHBondContact O-N 2.92Å
460	L	97.7	Very high	96.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-71.3	-34.1	-172	-69.5	-178.1	0	0	0	112.2	L456 H462 V463 R474 L477 L478 L491 E493 W564 F568	L456-L460 HydrophobicContact CB-CG 4.37Å; L456-L460 HydrophobicContact CD1-CD1 4.14Å; L456-L460 HydrophobicContact CD1-CD2 4.31Å; L456-L460 HydrophobicContact CD1-CG 4.37Å; L456-L460 HydrophobicContact CD2-CD2 4.05Å; L456-L460 HydrophobicContact CD2-CG 4.36Å; L460-H462 PolarHBondContact O-N 3.11Å; L460-H462 VanDerWaalsContact O-N 3.1Å; L460-V463 PolarHBondContact O-N 2.97Å; L460-R474 PolarHBondContact O-NE 3.3Å; L460-R474 PolarHBondContact O-NH2 3.18Å; L460-L477 HydrophobicContact CD2-CD2 3.88Å; L460-L478 HydrophobicContact CD1-CD2 3.98Å; L460-L478 HydrophobicContact CD2-CD2 4.39Å; L460-L491 HydrophobicContact CD1-CD1 3.68Å; L460-L491 HydrophobicContact CG-CD1 4.44Å; L460-E493 PolarHBondContact N-OE1 2.55Å; L460-E493 VanDerWaalsContact N-OE1 3.17Å; L460-W564 HydrophobicContact CB-CE3 4.45Å; L460-W564 HydrophobicContact CB-CH2 3.48Å; L460-W564 VanDerWaalsContact CB-CH2 3.48Å; L460-W564 HydrophobicContact CB-CZ2 4.32Å; L460-W564 HydrophobicContact CB-CZ3 3.55Å; L460-W564 HydrophobicContact CD1-CE3 3.94Å; L460-W564 HydrophobicContact CD1-CH2 4.43Å; L460-W564 HydrophobicContact CD1-CZ3 3.7Å; L460-W564 HydrophobicContact CG-CZ3 4.29Å; L460-F568 HydrophobicContact CD1-CE2 3.94Å; L460-F568 HydrophobicContact CD1-CZ 4.36Å
461	S	96.8	Very high	96	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.007	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-60.3	-16.4	174.9	54.6	0	0	0	0	113.7	A459 E493 R557	A459-S461 PolarHBondContact O-N 2.8Å; S461-E493 PolarHBondContact N-OE1 3.47Å; S461-E493 PolarHBondContact OG-OE1 3.22Å; S461-E493 PolarHBondContact OG-OE2 2.83Å; S461-R557 WeakPolarHBondContact O-CB 3.47Å; S461-R557 PolarHBondContact O-N 3.45Å; S461-R557 VanDerWaalsContact O-N 3.13Å
462	H	96.6	Very high	95.9	Very high	39 Å²	39	29 Å²	29	18%	0.181	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-94.5	-12.7	173.9	-64.3	166.9	0	0	0	114.1	F401 A459 L460 E556	F401-H462 HydrophobicContact CD2-CB 3.95Å; F401-H462 AromaticContact CD2-ND1 3.93Å; F401-H462 HydrophobicContact CE2-CB 3.74Å; F401-H462 AromaticContact CE2-CG 3.6Å; F401-H462 AromaticContact CE2-ND1 3.82Å; A459-H462 PolarHBondContact O-N 2.92Å; L460-H462 PolarHBondContact O-N 3.11Å; L460-H462 VanDerWaalsContact O-N 3.1Å; H462-E556 IonicContact CD2-OE2 3.13Å; H462-E556 IonicContact CE1-OE1 2.83Å; H462-E556 IonicContact NE2-OE1 2.8Å; H462-E556 PolarHBondContact NE2-OE1 3.17Å; H462-E556 IonicContact NE2-OE2 3.97Å; H462-E556 PolarHBondContact NE2-OE2 3.42Å; H462-E556 VanDerWaalsContact NE2-OE2 3.15Å
463	V	96.8	Very high	95.8	Very high	24 Å²	24	29.6 Å²	29.6	15%	0.145	19%	0.186	C	C	.	.	S	Bend	trans	-79.7	129.5	178.3	-172.8	0	0	0	0	109.4	L460 P473 R474 L477	L460-V463 PolarHBondContact O-N 2.97Å; V463-P473 HydrophobicContact CG1-CB 3.91Å; V463-R474 HydrophobicContact CB-CB 4.19Å; V463-R474 HydrophobicContact CG1-CB 3.97Å; V463-R474 PolarHBondContact O-NE 2.66Å; V463-R474 VanDerWaalsContact O-NE 3.1Å; V463-R474 PolarHBondContact O-NH2 3.39Å; V463-L477 HydrophobicContact CG2-CD2 4.14Å
464	P	95.7	Very high	95.7	Very high	53 Å²	53	29.6 Å²	29.6	34%	0.344	19%	0.186	S	C	.	.			trans	-56.7	140.8	174.7	-24.8	34.3	0	0	0	112.2	V468 P473 R474	P464-V468 HydrophobicContact CB-CB 4.06Å; P464-V468 HydrophobicContact CB-CG1 4.17Å; P464-V468 HydrophobicContact CB-CG2 4.48Å; P464-P473 HydrophobicContact CB-CG 4.34Å; P464-P473 VanDerWaalsContact O-CD 3.31Å; P464-P473 WeakPolarHBondContact O-CD 2.94Å; P464-R474 WeakPolarHBondContact O-CB 3.27Å; P464-R474 PolarHBondContact O-N 3.26Å
465	D	95.5	Very high	95.7	Very high	3 Å²	3	31.1 Å²	31.1	2%	0.016	19%	0.193	C	C	.	.			trans	-111.1	-171.6	179.2	71.2	-11.2	0	0	0	110.7	S467 V468 S469 R474 N499	D465-S467 PolarHBondContact O-N 3.45Å; D465-S467 VanDerWaalsContact O-N 3.11Å; D465-S467 WeakPolarHBondContact OD1-CA 3.36Å; D465-S467 VanDerWaalsContact OD1-CB 3.25Å; D465-S467 WeakPolarHBondContact OD1-CB 3.44Å; D465-S467 PolarHBondContact OD1-N 3.25Å; D465-S467 PolarHBondContact OD1-OG 3.33Å; D465-S467 PolarHBondContact OD2-OG 3.24Å; D465-V468 PolarHBondContact O-N 3.12Å; D465-S469 PolarHBondContact O-N 2.88Å; D465-R474 HydrophobicContact CB-CB 4.48Å; D465-N499 PolarHBondContact OD2-ND2 3.01Å; D465-N499 PolarHBondContact OD2-OD1 3.4Å
466	E	94.2	Very high	95.6	Very high	93 Å²	93	32.2 Å²	32.2	44%	0.435	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-20.1	176.1	65.8	-80.7	-177.5	0	0	114.4	V468 S469 N472 R567	E466-V468 VanDerWaalsContact C-N 3.27Å; E466-V468 PolarHBondContact O-N 2.96Å; E466-S469 WeakPolarHBondContact CA-O 3.49Å; E466-N472 HydrophobicContact CB-CB 4.31Å; E466-N472 PolarHBondContact OE2-ND2 3.12Å; E466-N472 VanDerWaalsContact OE2-ND2 3.07Å; E466-R567 IonicContact OE1-CZ 3.73Å; E466-R567 IonicContact OE1-NH1 2.79Å; E466-R567 IonicContact OE1-NH2 3.05Å; E466-R567 PolarHBondContact OE1-NH2 3.35Å; E466-R567 VanDerWaalsContact OE1-NH2 3.15Å; E466-R567 IonicContact OE2-CZ 2.74Å; E466-R567 IonicContact OE2-NH1 3.17Å; E466-R567 PolarHBondContact OE2-NH1 2.87Å; E466-R567 VanDerWaalsContact OE2-NH1 3.13Å; E466-R567 IonicContact OE2-NH2 3.23Å; E466-R567 PolarHBondContact OE2-NH2 2.89Å
467	S	91.2	Very high	95.6	Very high	37 Å²	37	32.7 Å²	32.7	26%	0.259	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-15.4	177.1	82.3	0	0	0	0	113.5	D465 R557	D465-S467 PolarHBondContact O-N 3.45Å; D465-S467 VanDerWaalsContact O-N 3.11Å; D465-S467 WeakPolarHBondContact OD1-CA 3.36Å; D465-S467 VanDerWaalsContact OD1-CB 3.25Å; D465-S467 WeakPolarHBondContact OD1-CB 3.44Å; D465-S467 PolarHBondContact OD1-N 3.25Å; D465-S467 PolarHBondContact OD1-OG 3.33Å; D465-S467 PolarHBondContact OD2-OG 3.24Å; S467-R557 PolarHBondContact OG-NH1 3.33Å
468	V	92.5	Very high	95.6	Very high	54 Å²	54	32.6 Å²	32.6	33%	0.327	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113	-40.8	-178.7	-174	0	0	0	0	111.4	P464 D465 E466 P552 R557	P464-V468 HydrophobicContact CB-CB 4.06Å; P464-V468 HydrophobicContact CB-CG1 4.17Å; P464-V468 HydrophobicContact CB-CG2 4.48Å; D465-V468 PolarHBondContact O-N 3.12Å; E466-V468 VanDerWaalsContact C-N 3.27Å; E466-V468 PolarHBondContact O-N 2.96Å; V468-P552 HydrophobicContact CG1-CB 4.18Å; V468-R557 VanDerWaalsContact CG2-NH1 3.35Å
469	S	91	Very high	95.7	Very high	34 Å²	34	37.7 Å²	37.7	24%	0.238	22%	0.219	C	C	.	.			trans	-139.5	129.3	-175.4	177.3	0	0	0	0	110.3	D465 E466 A471 N472	D465-S469 PolarHBondContact O-N 2.88Å; E466-S469 WeakPolarHBondContact CA-O 3.49Å; S469-A471 PolarHBondContact O-N 3.21Å; S469-A471 VanDerWaalsContact O-N 3.09Å; S469-A471 PolarHBondContact OG-N 3.16Å; S469-N472 PolarHBondContact O-N 2.63Å
470	P	91.7	Very high	95.7	Very high	136 Å²	136	41.4 Å²	41.4	88%	0.883	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-19.3	175.9	27.2	-35	0	0	0	112.7	N472	P470-N472 PolarHBondContact O-N 2.79Å
471	A	92.3	Very high	95.8	Very high	69 Å²	69	41.4 Å²	41.4	57%	0.57	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72	-13.8	175.1	0	0	0	0	0	113.5	S469	S469-A471 PolarHBondContact O-N 3.21Å; S469-A471 VanDerWaalsContact O-N 3.09Å; S469-A471 PolarHBondContact OG-N 3.16Å
472	N	95.8	Very high	95.8	Very high	22 Å²	22	45.4 Å²	45.4	12%	0.118	25%	0.245	C	C	.	.			trans	40.6	68.4	-178	-170.1	-8.4	0	0	0	113.5	E466 S469 P470 R474 D475 E476	E466-N472 HydrophobicContact CB-CB 4.31Å; E466-N472 PolarHBondContact OE2-ND2 3.12Å; E466-N472 VanDerWaalsContact OE2-ND2 3.07Å; S469-N472 PolarHBondContact O-N 2.63Å; P470-N472 PolarHBondContact O-N 2.79Å; N472-R474 PolarHBondContact O-N 2.8Å; N472-R474 VanDerWaalsContact O-N 3.11Å; N472-D475 PolarHBondContact ND2-OD2 3.27Å; N472-D475 PolarHBondContact O-N 2.67Å; N472-D475 PolarHBondContact OD1-N 3.24Å; N472-D475 VanDerWaalsContact OD1-N 3.17Å; N472-E476 PolarHBondContact O-N 2.84Å
473	P	96.6	Very high	95.8	Very high	29 Å²	29	47.5 Å²	47.5	19%	0.188	27%	0.27	C	S	.	.	H	α-helix	trans	-53.9	-29.7	-179.5	-27.3	34.7	0	0	0	114.5	A436 V463 P464 L477	A436-P473 HydrophobicContact CB-CB 4.36Å; A436-P473 WeakPolarHBondContact CB-O 3.38Å; V463-P473 HydrophobicContact CG1-CB 3.91Å; P464-P473 HydrophobicContact CB-CG 4.34Å; P464-P473 VanDerWaalsContact O-CD 3.31Å; P464-P473 WeakPolarHBondContact O-CD 2.94Å; P473-L477 VanDerWaalsContact O-CB 3.27Å; P473-L477 WeakPolarHBondContact O-CB 3.31Å; P473-L477 PolarHBondContact O-N 3Å
474	R	97.7	Very high	95.8	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-62.1	-51.7	176.8	-178.5	-178	-66.8	-171.7	-3.9	112	L460 V463 P464 D465 N472 L477 L478 N499 R557 E559 W564	L460-R474 PolarHBondContact O-NE 3.3Å; L460-R474 PolarHBondContact O-NH2 3.18Å; V463-R474 HydrophobicContact CB-CB 4.19Å; V463-R474 HydrophobicContact CG1-CB 3.97Å; V463-R474 PolarHBondContact O-NE 2.66Å; V463-R474 VanDerWaalsContact O-NE 3.1Å; V463-R474 PolarHBondContact O-NH2 3.39Å; P464-R474 WeakPolarHBondContact O-CB 3.27Å; P464-R474 PolarHBondContact O-N 3.26Å; D465-R474 HydrophobicContact CB-CB 4.48Å; N472-R474 PolarHBondContact O-N 2.8Å; N472-R474 VanDerWaalsContact O-N 3.11Å; R474-L477 WeakPolarHBondContact O-CB 3.28Å; R474-L477 PolarHBondContact O-N 2.99Å; R474-L478 PolarHBondContact O-N 2.89Å; R474-N499 PolarHBondContact NH1-ND2 3.21Å; R474-R557 PolarHBondContact NH2-O 3.46Å; R474-E559 IonicContact NH1-OE1 3.73Å; R474-E559 PolarHBondContact NH1-OE1 2.99Å; R474-W564 HydrophobicContact CG-CZ3 4.42Å
475	D	97.9	Very high	95.8	Very high	31 Å²	31	47.9 Å²	47.9	17%	0.166	28%	0.282	C	S	.	.	H	α-helix	trans	-76.3	-31.3	179.9	-67	-3.8	0	0	0	111.8	N472 L477 L478 R479 R567	N472-D475 PolarHBondContact ND2-OD2 3.27Å; N472-D475 PolarHBondContact O-N 2.67Å; N472-D475 PolarHBondContact OD1-N 3.24Å; N472-D475 VanDerWaalsContact OD1-N 3.17Å; D475-L477 VanDerWaalsContact C-N 3.32Å; D475-L478 PolarHBondContact O-N 3.4Å; D475-R479 PolarHBondContact O-N 3.07Å; D475-R567 IonicContact OD1-CZ 3.84Å; D475-R567 IonicContact OD1-NH1 2.67Å; D475-R567 PolarHBondContact OD1-NH1 3.46Å; D475-R567 IonicContact OD2-NH1 2.8Å; D475-R567 PolarHBondContact OD2-NH1 2.81Å
476	E	97.8	Very high	96	Very high	25 Å²	25	48.1 Å²	48.1	12%	0.117	28%	0.283	C	S	.	.	H	α-helix	trans	-58.1	-45	168.6	178	68.4	-163.5	0	0	111.1	A436 A437 N472 L478 R479 R480	A436-E476 HydrophobicContact CB-CB 4.49Å; A436-E476 HydrophobicContact CB-CG 4.26Å; A437-E476 HydrophobicContact CB-CG 4.09Å; N472-E476 PolarHBondContact O-N 2.84Å; E476-L478 PolarHBondContact O-N 2.92Å; E476-R479 PolarHBondContact O-N 3.07Å; E476-R479 IonicContact OE2-CZ 3.31Å; E476-R479 IonicContact OE2-NH1 3.21Å; E476-R479 PolarHBondContact OE2-NH1 2.83Å; E476-R479 IonicContact OE2-NH2 2.68Å; E476-R479 PolarHBondContact OE2-NH2 3.48Å; E476-R480 HydrophobicContact CG-CG 4.35Å; E476-R480 WeakPolarHBondContact O-CB 3.41Å; E476-R480 WeakPolarHBondContact O-CG 3.37Å; E476-R480 PolarHBondContact O-N 3.34Å; E476-R480 IonicContact OE1-CZ 3.61Å; E476-R480 IonicContact OE1-NE 2.63Å; E476-R480 PolarHBondContact OE1-NE 3.49Å; E476-R480 IonicContact OE1-NH2 3.87Å; E476-R480 PolarHBondContact OE1-NH2 2.95Å
477	L	98.2	Very high	96.1	Very high	9 Å²	9	47.1 Å²	47.1	5%	0.047	28%	0.279	C	S	.	.	H	α-helix	trans	-59.6	-47.3	177.6	178.6	60.9	0	0	0	111.3	F365 A436 L439 L460 V463 P473 R474 D475 R479 R480 V481	F365-L477 HydrophobicContact CD1-CD2 4.4Å; F365-L477 HydrophobicContact CE1-CD1 3.63Å; F365-L477 HydrophobicContact CE1-CD2 4.13Å; F365-L477 HydrophobicContact CE1-CG 4.47Å; F365-L477 HydrophobicContact CZ-CD1 3.74Å; A436-L477 HydrophobicContact CB-CB 3.87Å; A436-L477 HydrophobicContact CB-CD1 4.43Å; L439-L477 HydrophobicContact CD2-CD1 3.71Å; L460-L477 HydrophobicContact CD2-CD2 3.88Å; V463-L477 HydrophobicContact CG2-CD2 4.14Å; P473-L477 VanDerWaalsContact O-CB 3.27Å; P473-L477 WeakPolarHBondContact O-CB 3.31Å; P473-L477 PolarHBondContact O-N 3Å; R474-L477 WeakPolarHBondContact O-CB 3.28Å; R474-L477 PolarHBondContact O-N 2.99Å; D475-L477 VanDerWaalsContact C-N 3.32Å; L477-R479 PolarHBondContact O-N 2.94Å; L477-R480 PolarHBondContact O-N 3.09Å; L477-V481 HydrophobicContact CD1-CG2 4.14Å; L477-V481 HydrophobicContact CG-CG2 4.39Å; L477-V481 WeakPolarHBondContact O-CB 3.47Å; L477-V481 VanDerWaalsContact O-CG2 3.3Å; L477-V481 WeakPolarHBondContact O-CG2 3.41Å; L477-V481 PolarHBondContact O-N 3.3Å
478	L	98.5	Very high	96.4	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-60.1	-43.8	177.8	-69.2	176.4	0	0	0	112	L456 L460 R474 D475 E476 R480 V481 R482 R567 F568 A571 F573	L456-L478 HydrophobicContact CD1-CD2 4.11Å; L460-L478 HydrophobicContact CD1-CD2 3.98Å; L460-L478 HydrophobicContact CD2-CD2 4.39Å; R474-L478 PolarHBondContact O-N 2.89Å; D475-L478 PolarHBondContact O-N 3.4Å; E476-L478 PolarHBondContact O-N 2.92Å; L478-R480 VanDerWaalsContact C-N 3.32Å; L478-R480 PolarHBondContact O-N 2.79Å; L478-V481 PolarHBondContact O-N 3.33Å; L478-R482 WeakPolarHBondContact O-CB 3.47Å; L478-R482 PolarHBondContact O-N 3.04Å; L478-R567 HydrophobicContact CD1-CB 3.81Å; L478-F568 HydrophobicContact CD1-CD2 4.28Å; L478-F568 HydrophobicContact CD1-CE2 4.44Å; L478-F568 HydrophobicContact CD2-CD2 4.23Å; L478-F568 HydrophobicContact CD2-CE1 4.24Å; L478-F568 HydrophobicContact CD2-CE2 3.77Å; L478-F568 HydrophobicContact CD2-CZ 3.78Å; L478-A571 HydrophobicContact CB-CB 3.75Å; L478-F573 HydrophobicContact CB-CE2 4.41Å; L478-F573 WeakPolarHBondContact O-CE2 3.47Å
479	R	98.1	Very high	96.7	Very high	119 Å²	119	42.9 Å²	42.9	45%	0.449	25%	0.252	S	S	.	.	H	α-helix	trans	-62.7	-38.2	175.8	-75.9	-172.6	-74.2	101.2	-2.6	112.5	D475 E476 L477 R482 A483 A571	D475-R479 PolarHBondContact O-N 3.07Å; E476-R479 PolarHBondContact O-N 3.07Å; E476-R479 IonicContact OE2-CZ 3.31Å; E476-R479 IonicContact OE2-NH1 3.21Å; E476-R479 PolarHBondContact OE2-NH1 2.83Å; E476-R479 IonicContact OE2-NH2 2.68Å; E476-R479 PolarHBondContact OE2-NH2 3.48Å; L477-R479 PolarHBondContact O-N 2.94Å; R479-R482 PolarHBondContact O-N 3.29Å; R479-A483 WeakPolarHBondContact O-CB 3.32Å; R479-A483 PolarHBondContact O-N 3.3Å; R479-A571 HydrophobicContact CG-CB 4.22Å
480	R	98.2	Very high	97.1	Very high	91 Å²	91	41.3 Å²	41.3	34%	0.343	24%	0.24	S	C	.	.	H	α-helix	trans	-69.7	-43.8	177.8	-66.5	-86.3	174	-172.1	3.5	111.6	A436 A437 L439 E476 L477 L478 R482 A483 L484	A436-R480 WeakPolarHBondContact O-CG 3.29Å; A437-R480 PolarHBondContact O-NE 3.07Å; A437-R480 PolarHBondContact O-NH2 3.31Å; L439-R480 HydrophobicContact CB-CB 4.02Å; L439-R480 HydrophobicContact CD2-CB 4.07Å; L439-R480 HydrophobicContact CG-CB 4.47Å; L439-R480 WeakPolarHBondContact O-CD 3.47Å; E476-R480 HydrophobicContact CG-CG 4.35Å; E476-R480 WeakPolarHBondContact O-CB 3.41Å; E476-R480 WeakPolarHBondContact O-CG 3.37Å; E476-R480 PolarHBondContact O-N 3.34Å; E476-R480 IonicContact OE1-CZ 3.61Å; E476-R480 IonicContact OE1-NE 2.63Å; E476-R480 PolarHBondContact OE1-NE 3.49Å; E476-R480 IonicContact OE1-NH2 3.87Å; E476-R480 PolarHBondContact OE1-NH2 2.95Å; L477-R480 PolarHBondContact O-N 3.09Å; L478-R480 VanDerWaalsContact C-N 3.32Å; L478-R480 PolarHBondContact O-N 2.79Å; R480-R482 VanDerWaalsContact C-N 3.3Å; R480-R482 PolarHBondContact O-N 2.55Å; R480-A483 WeakPolarHBondContact O-CB 3.42Å; R480-A483 PolarHBondContact O-N 3.19Å; R480-A483 VanDerWaalsContact O-N 3.11Å; R480-L484 PolarHBondContact O-N 2.99Å
481	V	98.2	Very high	97.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-57.9	-44.4	172.4	169.4	0	0	0	0	110.4	F365 L439 V454 L477 L478 A483 L484 P486 V489 F573	F365-V481 HydrophobicContact CE2-CG2 4.47Å; F365-V481 HydrophobicContact CZ-CG2 4.29Å; L439-V481 HydrophobicContact CD2-CG2 3.82Å; V454-V481 HydrophobicContact CB-CG1 4.09Å; V454-V481 HydrophobicContact CG1-CG1 3.82Å; V454-V481 HydrophobicContact CG1-CG2 4.28Å; V454-V481 HydrophobicContact CG2-CG1 4.02Å; L477-V481 HydrophobicContact CD1-CG2 4.14Å; L477-V481 HydrophobicContact CG-CG2 4.39Å; L477-V481 WeakPolarHBondContact O-CB 3.47Å; L477-V481 VanDerWaalsContact O-CG2 3.3Å; L477-V481 WeakPolarHBondContact O-CG2 3.41Å; L477-V481 PolarHBondContact O-N 3.3Å; L478-V481 PolarHBondContact O-N 3.33Å; V481-A483 VanDerWaalsContact C-N 3.31Å; V481-A483 PolarHBondContact O-N 2.98Å; V481-L484 WeakPolarHBondContact O-CB 3.47Å; V481-L484 PolarHBondContact O-N 2.81Å; V481-L484 VanDerWaalsContact O-N 3.15Å; V481-P486 WeakPolarHBondContact O-CD 3.38Å; V481-V489 HydrophobicContact CG1-CG1 4.33Å; V481-V489 HydrophobicContact CG1-CG2 3.82Å; V481-F573 HydrophobicContact CB-CZ 4.38Å; V481-F573 HydrophobicContact CG1-CZ 3.94Å
482	R	98	Very high	97.7	Very high	85 Å²	85	31.5 Å²	31.5	32%	0.321	17%	0.171	S	C	.	.	H	α-helix	trans	-60.1	-41.6	174.9	176.3	54.9	179.4	-120	-27.3	111.9	L478 R479 R480 L484 G485 A571 G572 F573 R623	L478-R482 WeakPolarHBondContact O-CB 3.47Å; L478-R482 PolarHBondContact O-N 3.04Å; R479-R482 PolarHBondContact O-N 3.29Å; R480-R482 VanDerWaalsContact C-N 3.3Å; R480-R482 PolarHBondContact O-N 2.55Å; R482-L484 PolarHBondContact O-N 2.88Å; R482-G485 PolarHBondContact O-N 3.21Å; R482-A571 WeakPolarHBondContact CG-O 3.36Å; R482-G572 PolarHBondContact NH1-O 3.02Å; R482-G572 PolarHBondContact NH2-O 3.23Å; R482-F573 HydrophobicContact CB-CE1 4Å; R482-F573 HydrophobicContact CB-CE2 3.78Å; R482-F573 HydrophobicContact CB-CZ 3.48Å; R482-F573 VanDerWaalsContact CB-CZ 3.48Å; R482-F573 HydrophobicContact CG-CE1 4.49Å; R482-F573 HydrophobicContact CG-CZ 4.39Å; R482-R623 VanDerWaalsContact NH1-C 3.26Å; R482-R623 PolarHBondContact NH1-O 3.07Å; R482-R623 PolarHBondContact NH1-OXT 2.89Å
483	A	97.1	Very high	97.8	Very high	84 Å²	84	30.5 Å²	30.5	69%	0.694	17%	0.165	S	C	*	.	H	α-helix	trans	-65	-17.5	179.2	0	0	0	0	0	113.8	R479 R480 V481 G485	R479-A483 WeakPolarHBondContact O-CB 3.32Å; R479-A483 PolarHBondContact O-N 3.3Å; R480-A483 WeakPolarHBondContact O-CB 3.42Å; R480-A483 PolarHBondContact O-N 3.19Å; R480-A483 VanDerWaalsContact O-N 3.11Å; V481-A483 VanDerWaalsContact C-N 3.31Å; V481-A483 PolarHBondContact O-N 2.98Å; A483-G485 PolarHBondContact O-N 3.11Å
484	L	96.7	Very high	97.9	Very high	25 Å²	25	29.4 Å²	29.4	13%	0.131	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-16.8	171.4	-56.9	176.2	0	0	0	112.8	L439 A441 L444 R480 V481 R482	L439-L484 HydrophobicContact CD2-CD1 4.45Å; A441-L484 HydrophobicContact CB-CD2 4.18Å; L444-L484 HydrophobicContact CD1-CD1 3.55Å; L444-L484 HydrophobicContact CD1-CD2 3.92Å; L444-L484 HydrophobicContact CD1-CG 4.4Å; R480-L484 PolarHBondContact O-N 2.99Å; V481-L484 WeakPolarHBondContact O-CB 3.47Å; V481-L484 PolarHBondContact O-N 2.81Å; V481-L484 VanDerWaalsContact O-N 3.15Å; R482-L484 PolarHBondContact O-N 2.88Å
485	G	95.9	Very high	97.8	Very high	60 Å²	60	30.5 Å²	30.5	62%	0.619	16%	0.163	S	C	*	.			trans	60.4	47.1	-173	0	0	0	0	0	113.6	R482 A483	R482-G485 PolarHBondContact O-N 3.21Å; A483-G485 PolarHBondContact O-N 3.11Å
486	P	97.8	Very high	97.8	Very high	7 Å²	7	29 Å²	29	5%	0.045	16%	0.155	C	C	.	.			trans	-65.3	148.2	-177.3	31	-35.7	0	0	0	111	V452 V454 V481 V488 V489	V452-P486 HydrophobicContact CG1-CB 4.32Å; V452-P486 CarbonylContact O-C 3.53Å; V452-P486 WeakPolarHBondContact O-CA 3.47Å; V454-P486 HydrophobicContact CG2-CB 3.86Å; V454-P486 HydrophobicContact CG2-CG 4.33Å; V481-P486 WeakPolarHBondContact O-CD 3.38Å; P486-V488 VanDerWaalsContact C-N 3.27Å; P486-V488 PolarHBondContact O-N 2.69Å; P486-V489 HydrophobicContact CB-CG2 4.14Å; P486-V489 HydrophobicContact CG-CG2 3.43Å; P486-V489 VanDerWaalsContact CG-CG2 3.43Å
487	Q	97	Very high	97.7	Very high	72 Å²	72	28.7 Å²	28.7	34%	0.336	15%	0.154	S	C	.	.	S	Bend	trans	-66.5	-34.1	173	-174.1	166.7	20	0	0	111.7	A353 H357 V452	A353-Q487 PolarHBondContact O-NE2 2.76Å; H357-Q487 PolarHBondContact CE1-NE2 3.48Å; V452-Q487 PolarHBondContact O-N 3.18Å
488	V	98.1	Very high	97.6	Very high	3 Å²	3	28.2 Å²	28.2	2%	0.018	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	145.5	172.1	67.3	0	0	0	0	110.9	I350 A353 A453 V454 P486 T490 A621 W622	I350-V488 HydrophobicContact CG1-CG1 4.33Å; A353-V488 HydrophobicContact CB-CB 3.54Å; A353-V488 HydrophobicContact CB-CG1 3.5Å; A353-V488 HydrophobicContact CB-CG2 4.1Å; A453-V488 WeakPolarHBondContact CA-O 3.38Å; A453-V488 HydrophobicContact CB-CG1 3.88Å; V454-V488 PolarHBondContact N-O 2.62Å; P486-V488 VanDerWaalsContact C-N 3.27Å; P486-V488 PolarHBondContact O-N 2.69Å; V488-T490 HydrophobicContact CG2-CG2 4.27Å; V488-A621 HydrophobicContact CG2-CB 3.99Å; V488-W622 CarbonylContact C-O 3.56Å; V488-W622 WeakPolarHBondContact CA-O 3.44Å
489	V	98.7	Very high	97.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	124.9	162.8	-173.7	0	0	0	0	108.1	V454 L456 V481 P486 F568 F573 A621 W622	V454-V489 HydrophobicContact CB-CB 4.49Å; V454-V489 HydrophobicContact CB-CG1 4.19Å; V454-V489 HydrophobicContact CB-CG2 4.13Å; V454-V489 HydrophobicContact CG1-CG1 4.36Å; V454-V489 CarbonylContact O-C 3.58Å; V454-V489 VanDerWaalsContact O-CA 3.28Å; V454-V489 WeakPolarHBondContact O-CA 3.45Å; L456-V489 HydrophobicContact CD1-CG1 3.69Å; L456-V489 HydrophobicContact CG-CG1 4.31Å; V481-V489 HydrophobicContact CG1-CG1 4.33Å; V481-V489 HydrophobicContact CG1-CG2 3.82Å; P486-V489 HydrophobicContact CB-CG2 4.14Å; P486-V489 HydrophobicContact CG-CG2 3.43Å; P486-V489 VanDerWaalsContact CG-CG2 3.43Å; V489-F568 HydrophobicContact CB-CE1 4.44Å; V489-F568 HydrophobicContact CG1-CE1 3.92Å; V489-F568 HydrophobicContact CG1-CZ 4.36Å; V489-F573 HydrophobicContact CB-CE1 4.37Å; V489-F573 HydrophobicContact CG2-CD1 4.31Å; V489-F573 HydrophobicContact CG2-CE1 3.52Å; V489-F573 HydrophobicContact CG2-CZ 4.04Å; V489-A621 CarbonylContact O-C 3.46Å; V489-A621 WeakPolarHBondContact O-CA 3.45Å; V489-W622 HydrophobicContact CB-CB 4.29Å; V489-W622 PolarHBondContact N-O 2.87Å; V489-W622 PolarHBondContact O-N 2.96Å
490	T	98.4	Very high	97	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	136.3	172.3	52.9	0	0	0	0	110.5	A346 A349 I350 V454 N455 L456 V488 S620 A621	A346-T490 HydrophobicContact CB-CG2 4.29Å; A349-T490 HydrophobicContact CB-CG2 3.96Å; I350-T490 HydrophobicContact CD1-CG2 4.33Å; I350-T490 HydrophobicContact CG1-CG2 3.74Å; V454-T490 PolarHBondContact O-N 2.87Å; N455-T490 PolarHBondContact OD1-OG1 2.6Å; L456-T490 WeakPolarHBondContact CB-O 3.25Å; L456-T490 PolarHBondContact N-O 2.91Å; V488-T490 HydrophobicContact CG2-CG2 4.27Å; T490-S620 WeakPolarHBondContact CA-O 3.38Å; T490-A621 HydrophobicContact CG2-CB 4.43Å
491	L	98.6	Very high	96.7	Very high	0 Å²	0	22 Å²	22	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	128	173.3	175	74.5	0	0	0	108.7	L456 L460 E493 W564 F568 A619 S620	L456-L491 HydrophobicContact CB-CD1 4.25Å; L456-L491 WeakPolarHBondContact O-CA 3.47Å; L460-L491 HydrophobicContact CD1-CD1 3.68Å; L460-L491 HydrophobicContact CG-CD1 4.44Å; L491-E493 HydrophobicContact CD1-CG 3.69Å; L491-E493 HydrophobicContact CG-CG 4.26Å; L491-W564 HydrophobicContact CD2-CB 3.64Å; L491-W564 HydrophobicContact CD2-CD2 4.48Å; L491-W564 HydrophobicContact CD2-CG 3.91Å; L491-F568 HydrophobicContact CB-CE2 4.37Å; L491-F568 HydrophobicContact CB-CZ 4.03Å; L491-F568 HydrophobicContact CD1-CE2 4.12Å; L491-F568 HydrophobicContact CD1-CZ 4.27Å; L491-F568 HydrophobicContact CD2-CD2 4.49Å; L491-F568 HydrophobicContact CD2-CE2 3.85Å; L491-F568 HydrophobicContact CD2-CZ 4.35Å; L491-F568 HydrophobicContact CG-CE2 4.35Å; L491-F568 HydrophobicContact CG-CZ 4.46Å; L491-A619 WeakPolarHBondContact O-CA 3.28Å; L491-S620 PolarHBondContact N-O 3.33Å; L491-S620 PolarHBondContact O-N 2.9Å
492	V	98.2	Very high	96.5	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	119.9	165.4	-175.2	0	0	0	0	108.1	A342 A346 L456 A457 F458 V618 A619	A342-V492 HydrophobicContact CB-CG1 3.72Å; A346-V492 HydrophobicContact CB-CG2 3.52Å; L456-V492 PolarHBondContact O-N 2.78Å; A457-V492 CarbonylContact C-O 3.59Å; A457-V492 WeakPolarHBondContact CA-O 3.46Å; A457-V492 HydrophobicContact CB-CB 4.07Å; A457-V492 HydrophobicContact CB-CG2 4.43Å; F458-V492 HydrophobicContact CE1-CG1 4.02Å; F458-V492 HydrophobicContact CE2-CG1 3.9Å; F458-V492 HydrophobicContact CZ-CG1 3.54Å; F458-V492 PolarHBondContact N-O 3.03Å; V492-V618 VanDerWaalsContact CA-O 3.31Å; V492-V618 WeakPolarHBondContact CA-O 3.32Å; V492-A619 HydrophobicContact CG2-CB 4.24Å
493	E	98.1	Very high	96.3	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	165.4	179.8	-83.7	-68.4	179.1	0	0	111.1	L460 S461 L491 W564 T617 V618	L460-E493 PolarHBondContact N-OE1 2.55Å; L460-E493 VanDerWaalsContact N-OE1 3.17Å; S461-E493 PolarHBondContact N-OE1 3.47Å; S461-E493 PolarHBondContact OG-OE1 3.22Å; S461-E493 PolarHBondContact OG-OE2 2.83Å; L491-E493 HydrophobicContact CD1-CG 3.69Å; L491-E493 HydrophobicContact CG-CG 4.26Å; E493-W564 HydrophobicContact CG-CZ2 4.18Å; E493-T617 CarbonylContact O-C 3.56Å; E493-T617 VanDerWaalsContact O-CA 3.28Å; E493-T617 WeakPolarHBondContact O-CA 3.17Å; E493-T617 WeakPolarHBondContact O-CB 3.32Å; E493-V618 HydrophobicContact CB-CG2 4.48Å; E493-V618 PolarHBondContact N-O 2.98Å; E493-V618 VanDerWaalsContact N-O 3.16Å; E493-V618 PolarHBondContact O-N 3.39Å
494	Q	98.1	Very high	96.2	Very high	7 Å²	7	18.7 Å²	18.7	3%	0.033	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	136.7	172.3	-69.4	177	83.4	0	0	110.4	F339 F458 L496 H513 V616	F339-Q494 HydrophobicContact CE1-CG 3.99Å; F339-Q494 HydrophobicContact CZ-CG 4.28Å; F458-Q494 HydrophobicContact CD1-CG 4.19Å; F458-Q494 HydrophobicContact CE1-CG 4.02Å; Q494-L496 VanDerWaalsContact C-N 3.32Å; Q494-L496 HydrophobicContact CB-CB 4.35Å; Q494-L496 PolarHBondContact O-N 3.17Å; Q494-H513 PolarHBondContact OE1-NE2 3.28Å; Q494-H513 VanDerWaalsContact OE1-NE2 3.08Å; Q494-V616 WeakPolarHBondContact CA-O 3.42Å
495	E	97.2	Very high	96.1	Very high	23 Å²	23	18.6 Å²	18.6	11%	0.107	13%	0.125	C	C	.	.			trans	-81.3	79.1	175.5	-166.6	70.4	163.3	0	0	110.7	H513 F561 R608 A615 V616 V618	E495-H513 PolarHBondContact O-ND1 3.45Å; E495-F561 WeakPolarHBondContact OE2-CB 3.43Å; E495-F561 PolarHBondContact OE2-N 2.84Å; E495-R608 IonicContact OE1-CZ 3.65Å; E495-R608 IonicContact OE1-NH1 3.11Å; E495-R608 PolarHBondContact OE1-NH1 2.99Å; E495-R608 IonicContact OE1-NH2 3.58Å; E495-R608 PolarHBondContact OE1-NH2 2.68Å; E495-R608 IonicContact OE2-NH1 3.56Å; E495-A615 HydrophobicContact CB-CB 4.14Å; E495-A615 HydrophobicContact CG-CB 4.01Å; E495-V616 PolarHBondContact N-O 3.29Å; E495-V618 HydrophobicContact CB-CG1 4.2Å; E495-V618 HydrophobicContact CG-CG1 4.42Å; E495-V618 WeakPolarHBondContact OE2-CG1 3.45Å
496	L	97.2	Very high	96.1	Very high	0 Å²	0	16 Å²	16	0%	0	10%	0.097	C	C	.	.			trans	-150.4	128.7	-168.5	174.3	60.7	0	0	0	111.7	Q494 T498 A510 H513 Y514 C558 E559	Q494-L496 VanDerWaalsContact C-N 3.32Å; Q494-L496 HydrophobicContact CB-CB 4.35Å; Q494-L496 PolarHBondContact O-N 3.17Å; L496-T498 HydrophobicContact CD1-CG2 3.76Å; L496-T498 HydrophobicContact CD2-CG2 3.69Å; L496-T498 HydrophobicContact CG-CG2 3.56Å; L496-T498 PolarHBondContact O-N 3.13Å; L496-A510 HydrophobicContact CD1-CB 4.29Å; L496-H513 HydrophobicContact CD1-CB 3.89Å; L496-Y514 HydrophobicContact CD2-CE2 4.48Å; L496-C558 HydrophobicContact CB-CB 3.86Å; L496-C558 HydrophobicContact CD2-CB 4.15Å; L496-C558 HydrophobicContact CG-CB 4Å; L496-C558 CarbonylContact O-C 3.57Å; L496-C558 WeakPolarHBondContact O-CB 3.43Å; L496-C558 VanDerWaalsContact O-O 3.12Å; L496-E559 CarbonylContact O-C 3.58Å; L496-E559 VanDerWaalsContact O-C 3.31Å; L496-E559 WeakPolarHBondContact O-CA 3.46Å; L496-E559 PolarHBondContact O-N 3.06Å
497	N	95.6	Very high	96	Very high	17 Å²	17	15.8 Å²	15.8	9%	0.091	10%	0.095	C	C	.	.			trans	-97.9	73.9	178.8	-169.3	-0.4	0	0	0	112.9	T500 A501 D509 V560	N497-T500 PolarHBondContact ND2-OG1 2.92Å; N497-T500 PolarHBondContact OD1-N 2.93Å; N497-T500 PolarHBondContact OD1-OG1 3.23Å; N497-A501 PolarHBondContact OD1-N 2.84Å; N497-D509 PolarHBondContact N-OD2 3.43Å; N497-V560 HydrophobicContact CB-CG1 3.99Å
498	T	95.8	Very high	96	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.102	C	C	.	.			trans	-98.8	-10.8	176	57.7	0	0	0	0	114.1	L496 R506 A510 A546 R554 E556 C558	L496-T498 HydrophobicContact CD1-CG2 3.76Å; L496-T498 HydrophobicContact CD2-CG2 3.69Å; L496-T498 HydrophobicContact CG-CG2 3.56Å; L496-T498 PolarHBondContact O-N 3.13Å; T498-R506 HydrophobicContact CG2-CG 4.17Å; T498-R506 WeakPolarHBondContact O-CD 3.46Å; T498-A510 HydrophobicContact CG2-CB 4.49Å; T498-A546 HydrophobicContact CG2-CB 3.73Å; T498-R554 PolarHBondContact O-NE 2.61Å; T498-E556 PolarHBondContact OG1-O 2.73Å; T498-C558 PolarHBondContact N-O 3.19Å; T498-C558 VanDerWaalsContact N-O 3.13Å; T498-C558 PolarHBondContact OG1-N 3.35Å
499	N	95.2	Very high	95.9	Very high	8 Å²	8	17.8 Å²	17.8	4%	0.043	11%	0.111	C	C	.	.	S	Bend	trans	-87.6	-42.6	-177.9	-162.5	28	0	0	0	113.4	D465 R474 R554 R557 C558 E559	D465-N499 PolarHBondContact OD2-ND2 3.01Å; D465-N499 PolarHBondContact OD2-OD1 3.4Å; R474-N499 PolarHBondContact NH1-ND2 3.21Å; N499-R554 PolarHBondContact O-NH2 3.44Å; N499-R554 PolarHBondContact OD1-NH2 3.47Å; N499-R557 HydrophobicContact CB-CB 4.01Å; N499-R557 WeakPolarHBondContact OD1-CB 3.43Å; N499-C558 VanDerWaalsContact CB-O 3.28Å; N499-C558 WeakPolarHBondContact CB-O 3.41Å; N499-C558 PolarHBondContact N-O 3.27Å; N499-E559 HydrophobicContact CB-CG 3.9Å; N499-E559 PolarHBondContact ND2-OE1 2.95Å
500	T	89.9	Confident	95.8	Very high	57 Å²	57	17.8 Å²	17.8	35%	0.35	11%	0.111	S	C	.	.	S	Bend	trans	-108.2	-23.7	-166.7	67.4	0	0	0	0	114.5	N497 K563	N497-T500 PolarHBondContact ND2-OG1 2.92Å; N497-T500 PolarHBondContact OD1-N 2.93Å; N497-T500 PolarHBondContact OD1-OG1 3.23Å; T500-K563 HydrophobicContact CG2-CD 4.03Å; T500-K563 WeakPolarHBondContact OG1-CE 3.45Å; T500-K563 PolarHBondContact OG1-NZ 3.43Å
501	A	91.8	Very high	95.7	Very high	14 Å²	14	18.4 Å²	18.4	12%	0.116	12%	0.115	C	C	.	.	S	Bend	trans	-73	144.8	-179.3	0	0	0	0	0	112.8	N497 A505 R506	N497-A501 PolarHBondContact OD1-N 2.84Å; A501-A505 HydrophobicContact CB-CB 4.08Å; A501-R506 HydrophobicContact CB-CB 4.02Å
502	P	93.1	Very high	95.6	Very high	52 Å²	52	20.5 Å²	20.5	34%	0.338	13%	0.132	S	C	.	.			trans	-63.5	163	168.4	28.8	-34.5	0	0	0	111	A504 A505 R506	P502-A504 PolarHBondContact O-N 2.9Å; P502-A505 HydrophobicContact CG-CB 4.22Å; P502-A505 PolarHBondContact O-N 3.39Å; P502-R506 VanDerWaalsContact O-CB 3.28Å; P502-R506 WeakPolarHBondContact O-CB 3.25Å; P502-R506 PolarHBondContact O-N 2.89Å
503	L	94.7	Very high	95.6	Very high	18 Å²	18	20.5 Å²	20.5	9%	0.094	13%	0.132	C	C	.	.	H	α-helix	trans	-51.3	-46.8	-169.2	177.3	61.1	0	0	0	114.3	I265 A266 F507	I265-L503 HydrophobicContact CB-CD2 3.9Å; I265-L503 HydrophobicContact CG2-CD2 3.47Å; I265-L503 VanDerWaalsContact CG2-CD2 3.47Å; A266-L503 HydrophobicContact CB-CB 4.27Å; A266-L503 HydrophobicContact CB-CD2 4.32Å; L503-F507 VanDerWaalsContact O-CB 3.25Å; L503-F507 WeakPolarHBondContact O-CB 3.4Å; L503-F507 PolarHBondContact O-N 3.07Å
504	A	94.4	Very high	95.6	Very high	30 Å²	30	20.5 Å²	20.5	25%	0.248	13%	0.132	C	C	.	.	H	α-helix	trans	-63.4	-50	-178.2	0	0	0	0	0	112.1	V263 P502 F507 T508	V263-A504 HydrophobicContact CG2-CB 4.08Å; P502-A504 PolarHBondContact O-N 2.9Å; A504-F507 WeakPolarHBondContact O-CB 3.36Å; A504-F507 PolarHBondContact O-N 3.25Å; A504-T508 PolarHBondContact O-N 3.37Å; A504-T508 PolarHBondContact O-OG1 3.18Å
505	A	94.6	Very high	95.5	Very high	23 Å²	23	20.3 Å²	20.3	19%	0.19	13%	0.133	C	C	.	.	H	α-helix	trans	-64.4	-43.6	178.1	0	0	0	0	0	112	A501 P502 F507 T508 D509	A501-A505 HydrophobicContact CB-CB 4.08Å; P502-A505 HydrophobicContact CG-CB 4.22Å; P502-A505 PolarHBondContact O-N 3.39Å; A505-F507 VanDerWaalsContact C-N 3.29Å; A505-F507 PolarHBondContact O-N 3.44Å; A505-T508 PolarHBondContact O-N 2.92Å; A505-D509 PolarHBondContact O-N 3.02Å
506	R	95.3	Very high	95.5	Very high	6 Å²	6	19.6 Å²	19.6	2%	0.023	13%	0.13	C	C	.	.	H	α-helix	trans	-56.6	-42.4	172.8	170.4	172.8	57.7	166.5	-17.9	112	T498 A501 P502 A510 A546 R549 D550	T498-R506 HydrophobicContact CG2-CG 4.17Å; T498-R506 WeakPolarHBondContact O-CD 3.46Å; A501-R506 HydrophobicContact CB-CB 4.02Å; P502-R506 VanDerWaalsContact O-CB 3.28Å; P502-R506 WeakPolarHBondContact O-CB 3.25Å; P502-R506 PolarHBondContact O-N 2.89Å; R506-A510 WeakPolarHBondContact O-CB 3.32Å; R506-A510 PolarHBondContact O-N 2.98Å; R506-A546 WeakPolarHBondContact CD-O 3.44Å; R506-A546 PolarHBondContact NH1-O 2.98Å; R506-A546 VanDerWaalsContact NH1-O 3.13Å; R506-R549 PolarHBondContact NH1-O 2.91Å; R506-D550 IonicContact CZ-OD1 3.8Å; R506-D550 IonicContact NH1-OD1 2.8Å; R506-D550 PolarHBondContact NH1-OD1 2.86Å; R506-D550 IonicContact NH2-OD1 3.74Å; R506-D550 PolarHBondContact NH2-OD1 3.42Å
507	F	96.8	Very high	95.5	Very high	1 Å²	1	19.6 Å²	19.6	0%	0.004	13%	0.13	C	C	.	.	H	α-helix	trans	-64	-49.2	177.8	173.1	-94.7	0	0	0	111.2	L258 A262 M298 L302 L503 A504 A505 D509 A510 C511 V547	L258-F507 HydrophobicContact CB-CE1 4.01Å; L258-F507 HydrophobicContact CB-CZ 3.68Å; L258-F507 HydrophobicContact CD1-CZ 4.37Å; L258-F507 HydrophobicContact CD2-CZ 4.14Å; L258-F507 HydrophobicContact CG-CZ 4.29Å; A262-F507 HydrophobicContact CB-CB 3.75Å; A262-F507 HydrophobicContact CB-CD1 3.59Å; A262-F507 HydrophobicContact CB-CD2 4.13Å; A262-F507 HydrophobicContact CB-CE1 4.34Å; A262-F507 HydrophobicContact CB-CG 3.5Å; M298-F507 HydrophobicContact CB-CE2 3.94Å; M298-F507 HydrophobicContact CB-CZ 4.21Å; M298-F507 HydrophobicContact CG-CE2 4.08Å; M298-F507 HydrophobicContact CG-CZ 4.29Å; M298-F507 HydrophobicContact SD-CD2 4.49Å; M298-F507 HydrophobicContact SD-CE2 3.82Å; M298-F507 HydrophobicContact SD-CZ 4.47Å; L302-F507 HydrophobicContact CD1-CD2 4.05Å; L302-F507 HydrophobicContact CD1-CE2 3.66Å; L302-F507 HydrophobicContact CD1-CZ 4.18Å; L302-F507 HydrophobicContact CD2-CD2 3.79Å; L302-F507 HydrophobicContact CD2-CE2 4.19Å; L302-F507 HydrophobicContact CG-CD2 4.09Å; L302-F507 HydrophobicContact CG-CE2 3.96Å; L503-F507 VanDerWaalsContact O-CB 3.25Å; L503-F507 WeakPolarHBondContact O-CB 3.4Å; L503-F507 PolarHBondContact O-N 3.07Å; A504-F507 WeakPolarHBondContact O-CB 3.36Å; A504-F507 PolarHBondContact O-N 3.25Å; A505-F507 VanDerWaalsContact C-N 3.29Å; A505-F507 PolarHBondContact O-N 3.44Å; F507-D509 VanDerWaalsContact C-N 3.34Å; F507-D509 PolarHBondContact O-N 3.28Å; F507-A510 PolarHBondContact O-N 3.09Å; F507-C511 HydrophobicContact CE1-CB 4.33Å; F507-C511 HydrophobicContact CZ-CB 4.24Å; F507-C511 VanDerWaalsContact O-CB 3.25Å; F507-C511 WeakPolarHBondContact O-CB 3.25Å; F507-C511 PolarHBondContact O-N 3.44Å; F507-V547 HydrophobicContact CD2-CG1 3.81Å
508	T	95.8	Very high	95.5	Very high	81 Å²	81	18.9 Å²	18.9	50%	0.497	13%	0.126	S	C	.	.	H	α-helix	trans	-57.8	-47.9	179.6	-62.2	0	0	0	0	111.4	A504 A505 C511 A512	A504-T508 PolarHBondContact O-N 3.37Å; A504-T508 PolarHBondContact O-OG1 3.18Å; A505-T508 PolarHBondContact O-N 2.92Å; T508-C511 PolarHBondContact O-N 3.06Å; T508-A512 PolarHBondContact O-N 3.17Å; T508-A512 VanDerWaalsContact O-N 3.15Å
509	D	96	Very high	95.4	Very high	36 Å²	36	22.1 Å²	22.1	19%	0.193	14%	0.142	C	C	.	.	H	α-helix	trans	-67.4	-44.2	-179.3	-167.7	35.3	0	0	0	111.9	N497 A505 F507 C511 A512 H513 R614	N497-D509 PolarHBondContact N-OD2 3.43Å; A505-D509 PolarHBondContact O-N 3.02Å; F507-D509 VanDerWaalsContact C-N 3.34Å; F507-D509 PolarHBondContact O-N 3.28Å; D509-C511 PolarHBondContact O-N 3.46Å; D509-A512 PolarHBondContact O-N 2.71Å; D509-H513 WeakPolarHBondContact O-CB 3.13Å; D509-H513 PolarHBondContact O-N 3.32Å; D509-R614 PolarHBondContact O-NH2 3.1Å; D509-R614 IonicContact OD1-CZ 3.68Å; D509-R614 IonicContact OD1-NH1 3.79Å; D509-R614 PolarHBondContact OD1-NH1 2.89Å; D509-R614 IonicContact OD1-NH2 3.48Å; D509-R614 PolarHBondContact OD1-NH2 2.91Å
510	A	97.2	Very high	95.4	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-60.2	-42.1	174.5	0	0	0	0	0	112.6	L496 T498 R506 F507 A512 H513 Y514 V547	L496-A510 HydrophobicContact CD1-CB 4.29Å; T498-A510 HydrophobicContact CG2-CB 4.49Å; R506-A510 WeakPolarHBondContact O-CB 3.32Å; R506-A510 PolarHBondContact O-N 2.98Å; F507-A510 PolarHBondContact O-N 3.09Å; A510-A512 PolarHBondContact O-N 2.9Å; A510-H513 PolarHBondContact O-N 3.13Å; A510-Y514 HydrophobicContact CB-CD2 4.04Å; A510-Y514 HydrophobicContact CB-CE2 3.88Å; A510-Y514 WeakPolarHBondContact O-CB 3.37Å; A510-Y514 WeakPolarHBondContact O-CD2 3.46Å; A510-Y514 PolarHBondContact O-N 2.86Å; A510-V547 HydrophobicContact CB-CG2 3.42Å; A510-V547 VanDerWaalsContact CB-CG2 3.42Å
511	C	96.3	Very high	95.6	Very high	13 Å²	13	19 Å²	19	9%	0.088	12%	0.123	C	C	.	.	H	α-helix	trans	-60.4	-46.6	178.6	-171.1	0	0	0	0	111.1	M298 F507 T508 D509 G515	M298-C511 HydrophobicContact SD-CB 4.46Å; F507-C511 HydrophobicContact CE1-CB 4.33Å; F507-C511 HydrophobicContact CZ-CB 4.24Å; F507-C511 VanDerWaalsContact O-CB 3.25Å; F507-C511 WeakPolarHBondContact O-CB 3.25Å; F507-C511 PolarHBondContact O-N 3.44Å; T508-C511 PolarHBondContact O-N 3.06Å; D509-C511 PolarHBondContact O-N 3.46Å; C511-G515 PolarHBondContact O-N 3.35Å
512	A	96.2	Very high	95.6	Very high	44 Å²	44	21 Å²	21	36%	0.364	13%	0.131	S	C	.	.	H	α-helix	trans	-64.8	-41.8	176	0	0	0	0	0	112.2	T508 D509 A510 A516 R614	T508-A512 PolarHBondContact O-N 3.17Å; T508-A512 VanDerWaalsContact O-N 3.15Å; D509-A512 PolarHBondContact O-N 2.71Å; A510-A512 PolarHBondContact O-N 2.9Å; A512-A516 WeakPolarHBondContact O-CB 3.35Å; A512-A516 PolarHBondContact O-N 3.22Å; A512-R614 VanDerWaalsContact CB-NH1 3.3Å; A512-R614 WeakPolarHBondContact O-CD 3.46Å
513	H	97.9	Very high	95.4	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-62.5	-55.4	179.3	-169.9	81.6	0	0	0	113.4	Q494 E495 L496 D509 A510 G515 A516 I517 R614 V616	Q494-H513 PolarHBondContact OE1-NE2 3.28Å; Q494-H513 VanDerWaalsContact OE1-NE2 3.08Å; E495-H513 PolarHBondContact O-ND1 3.45Å; L496-H513 HydrophobicContact CD1-CB 3.89Å; D509-H513 WeakPolarHBondContact O-CB 3.13Å; D509-H513 PolarHBondContact O-N 3.32Å; A510-H513 PolarHBondContact O-N 3.13Å; H513-G515 VanDerWaalsContact C-N 3.29Å; H513-G515 PolarHBondContact O-N 3.36Å; H513-A516 PolarHBondContact O-N 3.38Å; H513-I517 WeakPolarHBondContact O-CG1 3.26Å; H513-I517 PolarHBondContact O-N 2.86Å; H513-I517 VanDerWaalsContact O-N 3.14Å; H513-R614 VanDerWaalsContact CA-NE 3.26Å; H513-V616 PolarHBondContact CE1-O 3.27Å
514	Y	97.7	Very high	94.9	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-69.5	-31.1	-177.9	-64.4	-56.1	0	0	0	111.6	M297 M298 L496 A510 I517 L518 L539 A543	M297-Y514 HydrophobicContact SD-CG 4.2Å; M298-Y514 HydrophobicContact CE-CD2 3.55Å; M298-Y514 HydrophobicContact CE-CG 4.15Å; L496-Y514 HydrophobicContact CD2-CE2 4.48Å; A510-Y514 HydrophobicContact CB-CD2 4.04Å; A510-Y514 HydrophobicContact CB-CE2 3.88Å; A510-Y514 WeakPolarHBondContact O-CB 3.37Å; A510-Y514 WeakPolarHBondContact O-CD2 3.46Å; A510-Y514 PolarHBondContact O-N 2.86Å; Y514-I517 HydrophobicContact CD1-CD1 4.22Å; Y514-I517 PolarHBondContact O-N 3.2Å; Y514-L518 VanDerWaalsContact O-CG 3.28Å; Y514-L518 WeakPolarHBondContact O-CG 3.32Å; Y514-L518 PolarHBondContact O-N 2.93Å; Y514-L539 HydrophobicContact CD1-CD1 3.49Å; Y514-L539 VanDerWaalsContact CD1-CD1 3.49Å; Y514-L539 HydrophobicContact CD1-CD2 4.26Å; Y514-L539 HydrophobicContact CD1-CG 3.79Å; Y514-L539 HydrophobicContact CE1-CD1 3.64Å; Y514-L539 HydrophobicContact CE1-CG 4.26Å; Y514-A543 HydrophobicContact CD1-CB 4.42Å; Y514-A543 HydrophobicContact CD2-CB 3.56Å; Y514-A543 HydrophobicContact CE1-CB 4.28Å; Y514-A543 VanDerWaalsContact CE2-CA 3.48Å; Y514-A543 HydrophobicContact CE2-CB 3.35Å; Y514-A543 HydrophobicContact CG-CB 4.09Å
515	G	96.5	Very high	94.4	Very high	4 Å²	4	23 Å²	23	4%	0.041	15%	0.146	C	C	.	.	H	α-helix	trans	-58.5	-49.7	170.2	0	0	0	0	0	112.2	C511 H513 I517 L518 E519	C511-G515 PolarHBondContact O-N 3.35Å; H513-G515 VanDerWaalsContact C-N 3.29Å; H513-G515 PolarHBondContact O-N 3.36Å; G515-I517 VanDerWaalsContact C-N 3.29Å; G515-I517 PolarHBondContact O-N 3.46Å; G515-L518 PolarHBondContact O-N 3.06Å; G515-E519 WeakPolarHBondContact O-CG 3.37Å; G515-E519 PolarHBondContact O-N 3.38Å
516	A	97.2	Very high	93.6	Very high	7 Å²	7	25.1 Å²	25.1	6%	0.058	16%	0.163	C	C	.	.	H	α-helix	trans	-59.9	-37.8	177.6	0	0	0	0	0	112.6	A512 H513 S520 W611 V616	A512-A516 WeakPolarHBondContact O-CB 3.35Å; A512-A516 PolarHBondContact O-N 3.22Å; H513-A516 PolarHBondContact O-N 3.38Å; A516-S520 VanDerWaalsContact O-CB 3.29Å; A516-S520 WeakPolarHBondContact O-CB 3.34Å; A516-S520 PolarHBondContact O-N 3.3Å; A516-W611 HydrophobicContact CB-CB 4.24Å; A516-V616 HydrophobicContact CB-CG2 4.12Å
517	I	97.2	Very high	92	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-66.8	-45.6	175.4	-63	170.5	0	0	0	111.4	L332 F339 H513 Y514 G515 S520 L521 L539 V616	L332-I517 HydrophobicContact CD1-CG2 3.77Å; F339-I517 HydrophobicContact CE2-CD1 3.85Å; F339-I517 HydrophobicContact CE2-CG1 4.01Å; F339-I517 HydrophobicContact CE2-CG2 4.31Å; F339-I517 HydrophobicContact CZ-CD1 3.75Å; F339-I517 HydrophobicContact CZ-CG1 4.42Å; H513-I517 WeakPolarHBondContact O-CG1 3.26Å; H513-I517 PolarHBondContact O-N 2.86Å; H513-I517 VanDerWaalsContact O-N 3.14Å; Y514-I517 HydrophobicContact CD1-CD1 4.22Å; Y514-I517 PolarHBondContact O-N 3.2Å; G515-I517 VanDerWaalsContact C-N 3.29Å; G515-I517 PolarHBondContact O-N 3.46Å; I517-S520 WeakPolarHBondContact O-CB 3.36Å; I517-S520 PolarHBondContact O-N 3.44Å; I517-L521 HydrophobicContact CG2-CD1 4.26Å; I517-L521 WeakPolarHBondContact O-CG 3.47Å; I517-L521 PolarHBondContact O-N 3.46Å; I517-L539 HydrophobicContact CB-CD2 3.99Å; I517-L539 HydrophobicContact CD1-CD1 3.99Å; I517-L539 HydrophobicContact CG2-CD1 4.32Å; I517-L539 HydrophobicContact CG2-CD2 3.55Å; I517-V616 HydrophobicContact CD1-CG1 3.97Å; I517-V616 HydrophobicContact CG1-CG1 3.55Å
518	L	96	Very high	90.7	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.01	23%	0.23	C	C	.	.	H	α-helix	trans	-63.9	-42.1	179.5	-70.1	170.7	0	0	0	111.9	A290 R293 L294 M297 Y514 G515 S520 L521 D522 E536 L539	A290-L518 HydrophobicContact CB-CB 4.06Å; R293-L518 HydrophobicContact CB-CD1 4.49Å; L294-L518 HydrophobicContact CB-CD1 3.84Å; L294-L518 HydrophobicContact CD1-CD1 4.31Å; M297-L518 HydrophobicContact CE-CD1 3.92Å; M297-L518 HydrophobicContact CE-CD2 4.2Å; M297-L518 HydrophobicContact CE-CG 4.36Å; Y514-L518 VanDerWaalsContact O-CG 3.28Å; Y514-L518 WeakPolarHBondContact O-CG 3.32Å; Y514-L518 PolarHBondContact O-N 2.93Å; G515-L518 PolarHBondContact O-N 3.06Å; L518-S520 VanDerWaalsContact C-N 3.33Å; L518-L521 PolarHBondContact O-N 3.04Å; L518-D522 PolarHBondContact O-N 3.41Å; L518-E536 HydrophobicContact CD2-CG 3.95Å; L518-L539 HydrophobicContact CD2-CD2 4.09Å; L518-L539 HydrophobicContact CG-CD2 4.22Å
519	E	94.7	Very high	90.1	Very high	68 Å²	68	39.5 Å²	39.5	32%	0.318	22%	0.219	S	C	.	.	H	α-helix	trans	-63.3	-40.1	173.6	-71.3	175.7	-172.6	0	0	111.5	A290 G515 L521 D522 A523 W611	A290-E519 HydrophobicContact CB-CG 3.97Å; G515-E519 WeakPolarHBondContact O-CG 3.37Å; G515-E519 PolarHBondContact O-N 3.38Å; E519-L521 PolarHBondContact O-N 3.16Å; E519-D522 PolarHBondContact O-N 3.3Å; E519-A523 WeakPolarHBondContact O-CB 3.49Å; E519-A523 PolarHBondContact O-N 3.37Å; E519-W611 VanDerWaalsContact CB-NE1 3.34Å
520	S	94.1	Very high	89.9	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-58.2	-47	174.3	-173.2	0	0	0	0	111.8	A516 I517 L518 D522 A523 T524 W611	A516-S520 VanDerWaalsContact O-CB 3.29Å; A516-S520 WeakPolarHBondContact O-CB 3.34Å; A516-S520 PolarHBondContact O-N 3.3Å; I517-S520 WeakPolarHBondContact O-CB 3.36Å; I517-S520 PolarHBondContact O-N 3.44Å; L518-S520 VanDerWaalsContact C-N 3.33Å; S520-D522 VanDerWaalsContact C-N 3.35Å; S520-D522 PolarHBondContact O-N 2.89Å; S520-A523 PolarHBondContact O-N 3.46Å; S520-T524 WeakPolarHBondContact O-CG2 3.46Å; S520-T524 PolarHBondContact O-N 3.41Å; S520-T524 PolarHBondContact O-OG1 2.91Å; S520-T524 VanDerWaalsContact O-OG1 3.06Å; S520-W611 VanDerWaalsContact CA-CZ2 3.5Å; S520-W611 VanDerWaalsContact CB-CD2 3.47Å; S520-W611 VanDerWaalsContact OG-CE3 3.23Å; S520-W611 WeakPolarHBondContact OG-CZ3 3.45Å
521	L	93.7	Very high	89.6	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-67.3	-32	177.3	-66.6	171.6	0	0	0	112.9	L332 L335 I517 L518 E519 L525 K532 E536	L332-L521 HydrophobicContact CD1-CD1 3.92Å; L332-L521 HydrophobicContact CD1-CD2 4.28Å; L332-L521 HydrophobicContact CD1-CG 4.46Å; L335-L521 HydrophobicContact CB-CD2 4.15Å; I517-L521 HydrophobicContact CG2-CD1 4.26Å; I517-L521 WeakPolarHBondContact O-CG 3.47Å; I517-L521 PolarHBondContact O-N 3.46Å; L518-L521 PolarHBondContact O-N 3.04Å; E519-L521 PolarHBondContact O-N 3.16Å; L521-L525 HydrophobicContact CD2-CD1 3.99Å; L521-L525 WeakPolarHBondContact O-CB 3.5Å; L521-L525 PolarHBondContact O-N 3.23Å; L521-K532 PolarHBondContact O-NZ 2.93Å; L521-E536 HydrophobicContact CD1-CG 3.84Å
522	D	91.7	Very high	89.4	Confident	55 Å²	55	46.2 Å²	46.2	29%	0.294	26%	0.262	S	S	.	.	H	α-helix	trans	-68.6	-34.3	173.6	-88.8	-3.1	0	0	0	112.8	A290 R293 L518 E519 S520 K532	A290-D522 WeakPolarHBondContact CB-OD2 3.23Å; A290-D522 PolarHBondContact N-OD2 2.89Å; A290-D522 VanDerWaalsContact N-OD2 3.16Å; R293-D522 IonicContact CZ-OD1 3.21Å; R293-D522 IonicContact CZ-OD2 2.63Å; R293-D522 IonicContact NH2-OD1 3.15Å; R293-D522 PolarHBondContact NH2-OD1 3.07Å; R293-D522 IonicContact NH2-OD2 2.8Å; R293-D522 PolarHBondContact NH2-OD2 2.9Å; L518-D522 PolarHBondContact O-N 3.41Å; E519-D522 PolarHBondContact O-N 3.3Å; S520-D522 VanDerWaalsContact C-N 3.35Å; S520-D522 PolarHBondContact O-N 2.89Å; D522-K532 WeakPolarHBondContact OD1-CE 3.33Å; D522-K532 IonicContact OD1-NZ 3.91Å; D522-K532 PolarHBondContact OD1-NZ 2.9Å
523	A	89.4	Confident	89.3	Confident	63 Å²	63	46.8 Å²	46.8	52%	0.521	27%	0.267	S	S	.	.	H	α-helix	trans	-83.4	-24.2	-179.3	0	0	0	0	0	114.1	E519 S520 W611	E519-A523 WeakPolarHBondContact O-CB 3.49Å; E519-A523 PolarHBondContact O-N 3.37Å; S520-A523 PolarHBondContact O-N 3.46Å; A523-W611 HydrophobicContact CB-CH2 3.32Å; A523-W611 HydrophobicContact CB-CZ2 3.41Å; A523-W611 VanDerWaalsContact CB-CZ2 3.41Å
524	T	83.8	Confident	89.1	Confident	44 Å²	44	52.4 Å²	52.4	27%	0.27	29%	0.288	S	S	.	.	H	α-helix	trans	-101	-18.2	-178.8	60.7	0	0	0	0	114.6	P337 S520 P595	P337-T524 HydrophobicContact CG-CG2 3.92Å; S520-T524 WeakPolarHBondContact O-CG2 3.46Å; S520-T524 PolarHBondContact O-N 3.41Å; S520-T524 PolarHBondContact O-OG1 2.91Å; S520-T524 VanDerWaalsContact O-OG1 3.06Å; T524-P595 HydrophobicContact CG2-CB 4.28Å; T524-P595 HydrophobicContact CG2-CG 3.53Å
525	L	84.8	Confident	89	Confident	36 Å²	36	52.4 Å²	52.4	19%	0.188	29%	0.288	C	S	.	.	S	Bend	trans	-134.3	141.7	-172.7	-62.6	172.1	0	0	0	111.8	L335 L521 I529 K532	L335-L525 HydrophobicContact CB-CD1 3.83Å; L335-L525 HydrophobicContact CD1-CD1 3.92Å; L335-L525 HydrophobicContact CD2-CD1 3.77Å; L335-L525 HydrophobicContact CD2-CD2 4.04Å; L335-L525 HydrophobicContact CG-CD1 4.03Å; L521-L525 HydrophobicContact CD2-CD1 3.99Å; L521-L525 WeakPolarHBondContact O-CB 3.5Å; L521-L525 PolarHBondContact O-N 3.23Å; L525-I529 HydrophobicContact CB-CD1 4.15Å; L525-I529 HydrophobicContact CD2-CD1 4.21Å; L525-K532 HydrophobicContact CB-CD 4.08Å; L525-K532 HydrophobicContact CD1-CB 4.21Å; L525-K532 HydrophobicContact CD1-CD 4.49Å; L525-K532 HydrophobicContact CD1-CG 4.48Å; L525-K532 PolarHBondContact O-NZ 3.3Å
526	A	77.4	Confident	89	Confident	67 Å²	67	53.3 Å²	53.3	55%	0.554	29%	0.291	S	S	*	.			trans	-58.5	141.8	168	0	0	0	0	0	110.4	E528 I529	A526-E528 VanDerWaalsContact C-N 3.26Å; A526-E528 PolarHBondContact O-N 3.22Å; A526-I529 HydrophobicContact CB-CD1 3.97Å; A526-I529 HydrophobicContact CB-CG1 4.14Å; A526-I529 WeakPolarHBondContact O-CG1 3.3Å; A526-I529 PolarHBondContact O-N 3.42Å
527	R	62.4	Low	88.9	Confident	161 Å²	161	55.3 Å²	55.3	61%	0.608	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-30.7	-173.7	-168.8	175.5	64.6	-176.2	-0.6	113.8	I529	R527-I529 VanDerWaalsContact C-N 3.31Å; R527-I529 PolarHBondContact O-N 2.86Å
528	E	69.2	Low	88.9	Confident	176 Å²	176	55.4 Å²	55.4	82%	0.822	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	16.1	-171.7	-59.6	-170.8	171.1	0	0	114.2	A526 A530	A526-E528 VanDerWaalsContact C-N 3.26Å; A526-E528 PolarHBondContact O-N 3.22Å; E528-A530 PolarHBondContact O-N 3.34Å
529	I	82.8	Confident	88.9	Confident	54 Å²	54	55.4 Å²	55.4	28%	0.277	31%	0.309	S	S	.	.			trans	-79.9	117.7	178.2	-62.1	174	0	0	0	109	L525 A526 R527 E531 K532 A533	L525-I529 HydrophobicContact CB-CD1 4.15Å; L525-I529 HydrophobicContact CD2-CD1 4.21Å; A526-I529 HydrophobicContact CB-CD1 3.97Å; A526-I529 HydrophobicContact CB-CG1 4.14Å; A526-I529 WeakPolarHBondContact O-CG1 3.3Å; A526-I529 PolarHBondContact O-N 3.42Å; R527-I529 VanDerWaalsContact C-N 3.31Å; R527-I529 PolarHBondContact O-N 2.86Å; I529-E531 HydrophobicContact CG2-CB 3.94Å; I529-E531 HydrophobicContact CG2-CG 4.43Å; I529-E531 PolarHBondContact O-N 2.93Å; I529-K532 HydrophobicContact CB-CB 4.13Å; I529-K532 HydrophobicContact CG2-CB 4.47Å; I529-K532 VanDerWaalsContact O-CB 3.31Å; I529-K532 WeakPolarHBondContact O-CB 3.46Å; I529-K532 PolarHBondContact O-N 3.47Å; I529-A533 PolarHBondContact O-N 2.94Å
530	A	90.8	Very high	89	Confident	83 Å²	83	54.2 Å²	54.2	69%	0.686	31%	0.308	S	S	*	.	H	α-helix	trans	-56.3	-34	179.6	0	0	0	0	0	113	E528 A533 R534	E528-A530 PolarHBondContact O-N 3.34Å; A530-A533 PolarHBondContact O-N 3.46Å; A530-R534 PolarHBondContact O-N 2.97Å
531	E	91.4	Very high	89.1	Confident	104 Å²	104	57.5 Å²	57.5	49%	0.486	32%	0.322	S	S	.	.	H	α-helix	trans	-65.1	-38.4	175.9	-59	-178.6	142.2	0	0	112.3	L331 L335 I529 R534 A535	L331-E531 HydrophobicContact CD1-CB 4.36Å; L331-E531 HydrophobicContact CD2-CB 4.28Å; L331-E531 HydrophobicContact CD2-CG 4.4Å; L335-E531 HydrophobicContact CD1-CB 4.09Å; I529-E531 HydrophobicContact CG2-CB 3.94Å; I529-E531 HydrophobicContact CG2-CG 4.43Å; I529-E531 PolarHBondContact O-N 2.93Å; E531-R534 PolarHBondContact O-N 2.79Å; E531-A535 WeakPolarHBondContact O-CB 3.46Å; E531-A535 PolarHBondContact O-N 3.35Å
532	K	93.3	Very high	89.2	Confident	2 Å²	2	58.6 Å²	58.6	1%	0.009	33%	0.327	C	S	.	.	H	α-helix	trans	-62.7	-48.9	173.9	173.1	179.6	176.2	163.1	0	110.8	L521 D522 L525 I529 R534 A535 E536	L521-K532 PolarHBondContact O-NZ 2.93Å; D522-K532 WeakPolarHBondContact OD1-CE 3.33Å; D522-K532 IonicContact OD1-NZ 3.91Å; D522-K532 PolarHBondContact OD1-NZ 2.9Å; L525-K532 HydrophobicContact CB-CD 4.08Å; L525-K532 HydrophobicContact CD1-CB 4.21Å; L525-K532 HydrophobicContact CD1-CD 4.49Å; L525-K532 HydrophobicContact CD1-CG 4.48Å; L525-K532 PolarHBondContact O-NZ 3.3Å; I529-K532 HydrophobicContact CB-CB 4.13Å; I529-K532 HydrophobicContact CG2-CB 4.47Å; I529-K532 VanDerWaalsContact O-CB 3.31Å; I529-K532 WeakPolarHBondContact O-CB 3.46Å; I529-K532 PolarHBondContact O-N 3.47Å; K532-R534 PolarHBondContact O-N 3.1Å; K532-A535 PolarHBondContact O-N 2.95Å; K532-A535 VanDerWaalsContact O-N 3.12Å; K532-E536 WeakPolarHBondContact CE-OE1 3.39Å; K532-E536 HydrophobicContact CG-CG 4.38Å; K532-E536 VanDerWaalsContact CG-OE1 3.27Å; K532-E536 WeakPolarHBondContact CG-OE1 3.29Å; K532-E536 VanDerWaalsContact O-CG 3.28Å; K532-E536 WeakPolarHBondContact O-CG 3.43Å; K532-E536 PolarHBondContact O-N 3.25Å
533	A	92.8	Very high	89.4	Confident	56 Å²	56	56 Å²	56	46%	0.463	31%	0.313	S	S	.	.	H	α-helix	trans	-58	-37.9	176.8	0	0	0	0	0	111.9	I529 A530 A537	I529-A533 PolarHBondContact O-N 2.94Å; A530-A533 PolarHBondContact O-N 3.46Å; A533-A537 WeakPolarHBondContact O-CB 3.32Å; A533-A537 PolarHBondContact O-N 3.03Å
534	R	94.7	Very high	89.7	Confident	118 Å²	118	54.1 Å²	54.1	45%	0.445	30%	0.298	S	S	.	.	H	α-helix	trans	-68.3	-41.4	175.6	-172.4	172.9	-179	167.6	5.9	112.8	L331 A530 E531 K532 A538	L331-R534 HydrophobicContact CD1-CB 4.22Å; L331-R534 HydrophobicContact CD1-CG 4.08Å; A530-R534 PolarHBondContact O-N 2.97Å; E531-R534 PolarHBondContact O-N 2.79Å; K532-R534 PolarHBondContact O-N 3.1Å; R534-A538 PolarHBondContact O-N 3.4Å; R534-A538 VanDerWaalsContact O-N 3.1Å
535	A	95.4	Very high	90.2	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-62.9	-41.8	175	0	0	0	0	0	111.6	G328 L331 L332 L335 E531 K532 A538 L539	G328-A535 WeakPolarHBondContact O-CA 3.45Å; L331-A535 HydrophobicContact CB-CB 4.34Å; L332-A535 HydrophobicContact CB-CB 4.04Å; L335-A535 HydrophobicContact CD1-CB 4.15Å; E531-A535 WeakPolarHBondContact O-CB 3.46Å; E531-A535 PolarHBondContact O-N 3.35Å; K532-A535 PolarHBondContact O-N 2.95Å; K532-A535 VanDerWaalsContact O-N 3.12Å; A535-A538 WeakPolarHBondContact O-CB 3.25Å; A535-A538 PolarHBondContact O-N 2.99Å; A535-L539 PolarHBondContact O-N 2.8Å
536	E	95.8	Very high	90.7	Very high	23 Å²	23	50.7 Å²	50.7	11%	0.107	28%	0.278	C	S	.	.	H	α-helix	trans	-70.8	-36.3	178.8	-68.9	173.1	177.1	0	0	113.1	R293 L518 L521 K532 A538 L539 S540	R293-E536 IonicContact CZ-OE1 2.81Å; R293-E536 IonicContact CZ-OE2 2.71Å; R293-E536 IonicContact NH1-OE1 3.8Å; R293-E536 PolarHBondContact NH1-OE1 3.48Å; R293-E536 IonicContact NH1-OE2 2.83Å; R293-E536 PolarHBondContact NH1-OE2 3.3Å; R293-E536 IonicContact NH2-OE1 3.62Å; L518-E536 HydrophobicContact CD2-CG 3.95Å; L521-E536 HydrophobicContact CD1-CG 3.84Å; K532-E536 WeakPolarHBondContact CE-OE1 3.39Å; K532-E536 HydrophobicContact CG-CG 4.38Å; K532-E536 VanDerWaalsContact CG-OE1 3.27Å; K532-E536 WeakPolarHBondContact CG-OE1 3.29Å; K532-E536 VanDerWaalsContact O-CG 3.28Å; K532-E536 WeakPolarHBondContact O-CG 3.43Å; K532-E536 PolarHBondContact O-N 3.25Å; E536-A538 VanDerWaalsContact C-N 3.27Å; E536-A538 PolarHBondContact O-N 3.16Å; E536-L539 PolarHBondContact O-N 3.03Å; E536-S540 WeakPolarHBondContact O-CB 3.46Å; E536-S540 PolarHBondContact O-N 2.85Å; E536-S540 PolarHBondContact O-OG 2.77Å
537	A	95.3	Very high	91.6	Very high	49 Å²	49	47.5 Å²	47.5	41%	0.405	25%	0.252	S	S	.	.	H	α-helix	trans	-61.2	-40.6	170.8	0	0	0	0	0	110.8	A533 S540 K541	A533-A537 WeakPolarHBondContact O-CB 3.32Å; A533-A537 PolarHBondContact O-N 3.03Å; A537-S540 PolarHBondContact O-N 3.47Å; A537-K541 PolarHBondContact O-N 2.97Å
538	A	96.9	Very high	92.9	Very high	3 Å²	3	40 Å²	40	3%	0.025	22%	0.224	C	C	.	.	H	α-helix	trans	-66.4	-44.3	175.5	0	0	0	0	0	112.3	Q325 R534 A535 E536 S540 K541 K542	Q325-A538 PolarHBondContact NE2-O 3.18Å; Q325-A538 VanDerWaalsContact OE1-CA 3.25Å; R534-A538 PolarHBondContact O-N 3.4Å; R534-A538 VanDerWaalsContact O-N 3.1Å; A535-A538 WeakPolarHBondContact O-CB 3.25Å; A535-A538 PolarHBondContact O-N 2.99Å; E536-A538 VanDerWaalsContact C-N 3.27Å; E536-A538 PolarHBondContact O-N 3.16Å; A538-S540 VanDerWaalsContact C-N 3.26Å; A538-S540 PolarHBondContact O-N 3.37Å; A538-K541 PolarHBondContact O-N 3.4Å; A538-K542 WeakPolarHBondContact O-CG 3.47Å; A538-K542 PolarHBondContact O-N 3.37Å; A538-K542 VanDerWaalsContact O-N 3.13Å
539	L	96.9	Very high	94	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-56.9	-42	174	-168.9	65.8	0	0	0	111.6	M297 L332 Y514 I517 L518 A535 E536 K541 K542 A543	M297-L539 HydrophobicContact CE-CB 4.39Å; M297-L539 HydrophobicContact CE-CD2 4.1Å; M297-L539 HydrophobicContact CE-CG 4.12Å; L332-L539 HydrophobicContact CD2-CD1 3.83Å; Y514-L539 HydrophobicContact CD1-CD1 3.49Å; Y514-L539 VanDerWaalsContact CD1-CD1 3.49Å; Y514-L539 HydrophobicContact CD1-CD2 4.26Å; Y514-L539 HydrophobicContact CD1-CG 3.79Å; Y514-L539 HydrophobicContact CE1-CD1 3.64Å; Y514-L539 HydrophobicContact CE1-CG 4.26Å; I517-L539 HydrophobicContact CB-CD2 3.99Å; I517-L539 HydrophobicContact CD1-CD1 3.99Å; I517-L539 HydrophobicContact CG2-CD1 4.32Å; I517-L539 HydrophobicContact CG2-CD2 3.55Å; L518-L539 HydrophobicContact CD2-CD2 4.09Å; L518-L539 HydrophobicContact CG-CD2 4.22Å; A535-L539 PolarHBondContact O-N 2.8Å; E536-L539 PolarHBondContact O-N 3.03Å; L539-K541 PolarHBondContact O-N 3.41Å; L539-K542 WeakPolarHBondContact O-CB 3.4Å; L539-K542 PolarHBondContact O-N 3.31Å; L539-A543 WeakPolarHBondContact O-CB 3.39Å; L539-A543 PolarHBondContact O-N 3.5Å
540	S	96.3	Very high	94.3	Very high	43 Å²	43	34 Å²	34	30%	0.301	20%	0.196	S	C	.	.	H	α-helix	trans	-63.1	-41	-179.7	-60.3	0	0	0	0	112.6	M297 E536 A537 A538 A543 A544	M297-S540 WeakPolarHBondContact CE-OG 3.37Å; E536-S540 WeakPolarHBondContact O-CB 3.46Å; E536-S540 PolarHBondContact O-N 2.85Å; E536-S540 PolarHBondContact O-OG 2.77Å; A537-S540 PolarHBondContact O-N 3.47Å; A538-S540 VanDerWaalsContact C-N 3.26Å; A538-S540 PolarHBondContact O-N 3.37Å; S540-A543 PolarHBondContact O-N 2.95Å; S540-A544 WeakPolarHBondContact O-CB 3.39Å; S540-A544 PolarHBondContact O-N 3Å
541	K	96.1	Very high	94.3	Very high	70 Å²	70	31.7 Å²	31.7	30%	0.304	18%	0.181	S	C	.	.	H	α-helix	trans	-67.6	-38.3	175.6	-66	-172.7	-155.6	153.2	0	112.1	D319 L320 A537 A538 L539 A544 N545	D319-K541 HydrophobicContact CB-CD 4.25Å; D319-K541 PolarHBondContact O-NZ 2.88Å; L320-K541 HydrophobicContact CD1-CB 4.09Å; A537-K541 PolarHBondContact O-N 2.97Å; A538-K541 PolarHBondContact O-N 3.4Å; L539-K541 PolarHBondContact O-N 3.41Å; K541-A544 PolarHBondContact O-N 3.42Å; K541-N545 PolarHBondContact O-N 3Å
542	K	96.6	Very high	94.3	Very high	22 Å²	22	31 Å²	31	10%	0.096	19%	0.185	C	C	.	.	H	α-helix	trans	-60.5	-49.2	174	-69.4	-175.6	163.7	-74.3	0	111	L320 S329 A538 L539 A544 N545 A546 E556	L320-K542 HydrophobicContact CD1-CG 4.31Å; S329-K542 VanDerWaalsContact OG-CE 3.28Å; S329-K542 WeakPolarHBondContact OG-CE 3.33Å; A538-K542 WeakPolarHBondContact O-CG 3.47Å; A538-K542 PolarHBondContact O-N 3.37Å; A538-K542 VanDerWaalsContact O-N 3.13Å; L539-K542 WeakPolarHBondContact O-CB 3.4Å; L539-K542 PolarHBondContact O-N 3.31Å; K542-A544 PolarHBondContact O-N 3.02Å; K542-N545 PolarHBondContact O-N 3.48Å; K542-A546 WeakPolarHBondContact O-CB 3.42Å; K542-A546 PolarHBondContact O-N 3Å; K542-E556 HydrophobicContact CB-CG 4.15Å; K542-E556 HydrophobicContact CG-CG 4.3Å; K542-E556 WeakPolarHBondContact CG-OE1 3.3Å; K542-E556 VanDerWaalsContact NZ-CD 3.25Å; K542-E556 IonicContact NZ-OE1 3.88Å; K542-E556 PolarHBondContact NZ-OE1 3.32Å; K542-E556 IonicContact NZ-OE2 3.81Å; K542-E556 PolarHBondContact NZ-OE2 2.86Å
543	A	96.1	Very high	94.2	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-59.2	-45	176.2	0	0	0	0	0	112.2	M297 M298 Y514 L539 S540 N545 A546 V547	M297-A543 HydrophobicContact CG-CB 3.79Å; M297-A543 HydrophobicContact SD-CB 3.45Å; M297-A543 WeakPolarHBondContact SD-CB 3.47Å; M298-A543 HydrophobicContact CE-CB 4.21Å; Y514-A543 HydrophobicContact CD1-CB 4.42Å; Y514-A543 HydrophobicContact CD2-CB 3.56Å; Y514-A543 HydrophobicContact CE1-CB 4.28Å; Y514-A543 VanDerWaalsContact CE2-CA 3.48Å; Y514-A543 HydrophobicContact CE2-CB 3.35Å; Y514-A543 HydrophobicContact CG-CB 4.09Å; L539-A543 WeakPolarHBondContact O-CB 3.39Å; L539-A543 PolarHBondContact O-N 3.5Å; S540-A543 PolarHBondContact O-N 2.95Å; A543-N545 VanDerWaalsContact C-N 3.3Å; A543-N545 PolarHBondContact O-N 2.96Å; A543-A546 PolarHBondContact O-N 2.61Å; A543-V547 VanDerWaalsContact O-CB 3.32Å; A543-V547 WeakPolarHBondContact O-CB 3.33Å; A543-V547 PolarHBondContact O-N 2.8Å
544	A	94.6	Very high	94.3	Very high	24 Å²	24	32.4 Å²	32.4	20%	0.198	18%	0.184	C	C	.	.	H	α-helix	trans	-61	-36.8	176.9	0	0	0	0	0	112.5	A301 S540 K541 K542 G548	A301-A544 HydrophobicContact CB-CB 4.39Å; S540-A544 WeakPolarHBondContact O-CB 3.39Å; S540-A544 PolarHBondContact O-N 3Å; K541-A544 PolarHBondContact O-N 3.42Å; K542-A544 PolarHBondContact O-N 3.02Å; A544-G548 WeakPolarHBondContact O-CA 3.44Å; A544-G548 PolarHBondContact O-N 3.17Å
545	N	95.6	Very high	94.3	Very high	9 Å²	9	28 Å²	28	5%	0.048	17%	0.169	C	C	.	.	H	α-helix	trans	-73	-50.1	175.1	-176.2	-90.4	0	0	0	112.2	L320 K541 K542 A543 V547 G548 R549 D553 L555 E556	L320-N545 HydrophobicContact CD2-CB 3.58Å; L320-N545 VanDerWaalsContact CD2-CG 3.48Å; K541-N545 PolarHBondContact O-N 3Å; K542-N545 PolarHBondContact O-N 3.48Å; A543-N545 VanDerWaalsContact C-N 3.3Å; A543-N545 PolarHBondContact O-N 2.96Å; N545-V547 PolarHBondContact O-N 3.05Å; N545-G548 PolarHBondContact O-N 3.41Å; N545-R549 WeakPolarHBondContact O-CB 3.36Å; N545-R549 PolarHBondContact O-N 3.34Å; N545-D553 PolarHBondContact ND2-O 3.43Å; N545-L555 PolarHBondContact OD1-N 3.04Å; N545-E556 HydrophobicContact CB-CG 4.21Å; N545-E556 PolarHBondContact OD1-N 3.45Å
546	A	95.6	Very high	94.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-57.9	-48.3	-178	0	0	0	0	0	112	T498 R506 K542 A543 E556	T498-A546 HydrophobicContact CG2-CB 3.73Å; R506-A546 WeakPolarHBondContact CD-O 3.44Å; R506-A546 PolarHBondContact NH1-O 2.98Å; R506-A546 VanDerWaalsContact NH1-O 3.13Å; K542-A546 WeakPolarHBondContact O-CB 3.42Å; K542-A546 PolarHBondContact O-N 3Å; A543-A546 PolarHBondContact O-N 2.61Å; A546-E556 HydrophobicContact CB-CB 3.98Å
547	V	94.4	Very high	94.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-87.4	-27.7	-178.1	173.8	0	0	0	0	112.2	A301 L302 R305 F507 A510 A543 N545	A301-V547 HydrophobicContact CB-CB 4.06Å; A301-V547 HydrophobicContact CB-CG1 4.02Å; L302-V547 HydrophobicContact CD2-CG1 3.93Å; R305-V547 VanDerWaalsContact CD-O 3.27Å; R305-V547 WeakPolarHBondContact CD-O 3.37Å; R305-V547 VanDerWaalsContact NH1-C 3.29Å; R305-V547 PolarHBondContact NH1-O 2.87Å; F507-V547 HydrophobicContact CD2-CG1 3.81Å; A510-V547 HydrophobicContact CB-CG2 3.42Å; A510-V547 VanDerWaalsContact CB-CG2 3.42Å; A543-V547 VanDerWaalsContact O-CB 3.32Å; A543-V547 WeakPolarHBondContact O-CB 3.33Å; A543-V547 PolarHBondContact O-N 2.8Å; N545-V547 PolarHBondContact O-N 3.05Å
548	G	91	Very high	94.5	Very high	3 Å²	3	25 Å²	25	3%	0.031	15%	0.146	C	C	.	.	H	α-helix	trans	-103.8	-8.6	-168.8	0	0	0	0	0	116.4	R305 A544 N545	R305-G548 WeakPolarHBondContact CG-O 3.48Å; R305-G548 VanDerWaalsContact NH1-CA 3.32Å; R305-G548 PolarHBondContact NH1-O 2.83Å; A544-G548 WeakPolarHBondContact O-CA 3.44Å; A544-G548 PolarHBondContact O-N 3.17Å; N545-G548 PolarHBondContact O-N 3.41Å
549	R	91.9	Very high	94.5	Very high	25 Å²	25	24.8 Å²	24.8	9%	0.094	15%	0.145	C	C	.	.			trans	-120.2	164.1	176.3	-57.7	-62	178.2	-145.8	5.5	112.3	S304 R305 R506 N545 D553 R554	S304-R549 PolarHBondContact O-NH1 3.22Å; S304-R549 VanDerWaalsContact O-NH1 3.1Å; R305-R549 VanDerWaalsContact NH1-N 3.11Å; R305-R549 PolarHBondContact NH1-O 2.86Å; R506-R549 PolarHBondContact NH1-O 2.91Å; N545-R549 WeakPolarHBondContact O-CB 3.36Å; N545-R549 PolarHBondContact O-N 3.34Å; R549-D553 HydrophobicContact CB-CB 4.16Å; R549-D553 WeakPolarHBondContact CB-O 3.44Å; R549-D553 HydrophobicContact CG-CB 4.4Å; R549-R554 HydrophobicContact CB-CB 4.14Å
550	D	89.8	Confident	94.5	Very high	79 Å²	79	25.4 Å²	25.4	42%	0.422	15%	0.149	S	C	.	.			trans	-140.4	174.8	174	-70.9	-25.8	0	0	0	109.3	R305 R506 D553 R554	R305-D550 IonicContact CZ-OD1 2.87Å; R305-D550 IonicContact CZ-OD2 2.61Å; R305-D550 IonicContact NH1-OD1 3.35Å; R305-D550 IonicContact NH2-OD1 3.64Å; R305-D550 PolarHBondContact NH2-OD1 3.36Å; R305-D550 IonicContact NH2-OD2 2.98Å; R305-D550 PolarHBondContact NH2-OD2 3.3Å; R506-D550 IonicContact CZ-OD1 3.8Å; R506-D550 IonicContact NH1-OD1 2.8Å; R506-D550 PolarHBondContact NH1-OD1 2.86Å; R506-D550 IonicContact NH2-OD1 3.74Å; R506-D550 PolarHBondContact NH2-OD1 3.42Å; D550-D553 PolarHBondContact O-N 2.96Å; D550-R554 IonicContact OD1-NH1 3.23Å
551	G	89.5	Confident	94.5	Very high	35 Å²	35	23.7 Å²	23.7	36%	0.361	14%	0.136	S	C	.	.	G	3₁₀ helix	trans	55.8	-150.7	177.2	0	0	0	0	0	110.8	D553 R554 R557	G551-D553 PolarHBondContact O-N 3Å; G551-D553 VanDerWaalsContact O-N 3.17Å; G551-R554 PolarHBondContact O-N 3.02Å; G551-R557 PolarHBondContact O-NH2 3.5Å
552	P	91.1	Very high	94.5	Very high	89 Å²	89	20.4 Å²	20.4	58%	0.578	12%	0.122	S	C	*	.	G	3₁₀ helix	trans	-60.3	-23.5	-178.6	24.7	-34.2	0	0	0	114.4	V468 R554	V468-P552 HydrophobicContact CG1-CB 4.18Å; P552-R554 VanDerWaalsContact C-N 3.27Å; P552-R554 PolarHBondContact O-N 3.42Å
553	D	92.3	Very high	94.4	Very high	69 Å²	69	21 Å²	21	37%	0.369	12%	0.124	S	C	.	.	G	3₁₀ helix	trans	-74.9	-13.9	-179	-64.4	-23.3	0	0	0	113.4	L317 N545 R549 D550 G551 L555	L317-D553 HydrophobicContact CD1-CB 4.42Å; L317-D553 WeakPolarHBondContact CD2-O 3.25Å; N545-D553 PolarHBondContact ND2-O 3.43Å; R549-D553 HydrophobicContact CB-CB 4.16Å; R549-D553 WeakPolarHBondContact CB-O 3.44Å; R549-D553 HydrophobicContact CG-CB 4.4Å; D550-D553 PolarHBondContact O-N 2.96Å; G551-D553 PolarHBondContact O-N 3Å; G551-D553 VanDerWaalsContact O-N 3.17Å; D553-L555 PolarHBondContact O-N 3.02Å
554	R	94.1	Very high	94.5	Very high	18 Å²	18	21 Å²	21	7%	0.068	12%	0.124	C	C	.	.			trans	-83.1	101.8	171.8	-170.2	171.8	67.3	-155.4	5.9	109.4	T498 N499 R549 D550 G551 P552 R557	T498-R554 PolarHBondContact O-NE 2.61Å; N499-R554 PolarHBondContact O-NH2 3.44Å; N499-R554 PolarHBondContact OD1-NH2 3.47Å; R549-R554 HydrophobicContact CB-CB 4.14Å; D550-R554 IonicContact OD1-NH1 3.23Å; G551-R554 PolarHBondContact O-N 3.02Å; P552-R554 VanDerWaalsContact C-N 3.27Å; P552-R554 PolarHBondContact O-N 3.42Å; R554-R557 WeakPolarHBondContact O-CG 3.5Å; R554-R557 PolarHBondContact O-NE 3.33Å; R554-R557 PolarHBondContact O-NH2 2.87Å
555	L	95.7	Very high	94.6	Very high	27 Å²	27	22.8 Å²	22.8	14%	0.141	13%	0.126	C	C	.	.			trans	-91.1	-28.2	179.9	-57.6	-174.9	0	0	0	112.5	L317 L320 P400 F401 N545 D553 R557	L317-L555 HydrophobicContact CD2-CD1 3.88Å; L317-L555 HydrophobicContact CD2-CG 4.06Å; L320-L555 HydrophobicContact CD2-CB 4.09Å; L320-L555 HydrophobicContact CD2-CD1 4.24Å; P400-L555 HydrophobicContact CB-CD1 4.45Å; P400-L555 HydrophobicContact CG-CD1 3.74Å; P400-L555 HydrophobicContact CG-CD2 4.24Å; F401-L555 HydrophobicContact CE2-CB 4.06Å; F401-L555 HydrophobicContact CE2-CD1 4.24Å; F401-L555 HydrophobicContact CZ-CB 3.84Å; F401-L555 HydrophobicContact CZ-CD1 4.03Å; N545-L555 PolarHBondContact OD1-N 3.04Å; D553-L555 PolarHBondContact O-N 3.02Å; L555-R557 PolarHBondContact O-N 2.91Å
556	E	96.3	Very high	94.6	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	13%	0.13	C	C	.	.			trans	-87.6	84.6	177.2	-61.9	-70.1	161.5	0	0	110.7	L320 H462 T498 K542 N545 A546	L320-E556 HydrophobicContact CD2-CG 4.42Å; H462-E556 IonicContact CD2-OE2 3.13Å; H462-E556 IonicContact CE1-OE1 2.83Å; H462-E556 IonicContact NE2-OE1 2.8Å; H462-E556 PolarHBondContact NE2-OE1 3.17Å; H462-E556 IonicContact NE2-OE2 3.97Å; H462-E556 PolarHBondContact NE2-OE2 3.42Å; H462-E556 VanDerWaalsContact NE2-OE2 3.15Å; T498-E556 PolarHBondContact OG1-O 2.73Å; K542-E556 HydrophobicContact CB-CG 4.15Å; K542-E556 HydrophobicContact CG-CG 4.3Å; K542-E556 WeakPolarHBondContact CG-OE1 3.3Å; K542-E556 VanDerWaalsContact NZ-CD 3.25Å; K542-E556 IonicContact NZ-OE1 3.88Å; K542-E556 PolarHBondContact NZ-OE1 3.32Å; K542-E556 IonicContact NZ-OE2 3.81Å; K542-E556 PolarHBondContact NZ-OE2 2.86Å; N545-E556 HydrophobicContact CB-CG 4.21Å; N545-E556 PolarHBondContact OD1-N 3.45Å; A546-E556 HydrophobicContact CB-CB 3.98Å
557	R	96.8	Very high	94.6	Very high	6 Å²	6	24.1 Å²	24.1	2%	0.023	13%	0.133	C	C	.	.			trans	-106.7	61.9	-174.5	-59.6	176.2	-173	-82.5	-12.1	111.8	S461 S467 V468 R474 N499 G551 R554 L555	S461-R557 WeakPolarHBondContact O-CB 3.47Å; S461-R557 PolarHBondContact O-N 3.45Å; S461-R557 VanDerWaalsContact O-N 3.13Å; S467-R557 PolarHBondContact OG-NH1 3.33Å; V468-R557 VanDerWaalsContact CG2-NH1 3.35Å; R474-R557 PolarHBondContact NH2-O 3.46Å; N499-R557 HydrophobicContact CB-CB 4.01Å; N499-R557 WeakPolarHBondContact OD1-CB 3.43Å; G551-R557 PolarHBondContact O-NH2 3.5Å; R554-R557 WeakPolarHBondContact O-CG 3.5Å; R554-R557 PolarHBondContact O-NE 3.33Å; R554-R557 PolarHBondContact O-NH2 2.87Å; L555-R557 PolarHBondContact O-N 2.91Å
558	C	97.5	Very high	94.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.133	C	C	.	.			trans	-65.5	146	176.4	-56.9	0	0	0	0	111.1	L496 T498 N499	L496-C558 HydrophobicContact CB-CB 3.86Å; L496-C558 HydrophobicContact CD2-CB 4.15Å; L496-C558 HydrophobicContact CG-CB 4Å; L496-C558 CarbonylContact O-C 3.57Å; L496-C558 WeakPolarHBondContact O-CB 3.43Å; L496-C558 VanDerWaalsContact O-O 3.12Å; T498-C558 PolarHBondContact N-O 3.19Å; T498-C558 VanDerWaalsContact N-O 3.13Å; T498-C558 PolarHBondContact OG1-N 3.35Å; N499-C558 VanDerWaalsContact CB-O 3.28Å; N499-C558 WeakPolarHBondContact CB-O 3.41Å; N499-C558 PolarHBondContact N-O 3.27Å
559	E	97.2	Very high	95.1	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.152	C	C	.	.			trans	-125.8	152.3	171.3	-60.9	-175.7	175.6	0	0	108.8	R474 L496 N499 K563 W564 R567	R474-E559 IonicContact NH1-OE1 3.73Å; R474-E559 PolarHBondContact NH1-OE1 2.99Å; L496-E559 CarbonylContact O-C 3.58Å; L496-E559 VanDerWaalsContact O-C 3.31Å; L496-E559 WeakPolarHBondContact O-CA 3.46Å; L496-E559 PolarHBondContact O-N 3.06Å; N499-E559 HydrophobicContact CB-CG 3.9Å; N499-E559 PolarHBondContact ND2-OE1 2.95Å; E559-K563 HydrophobicContact CB-CB 4.01Å; E559-K563 HydrophobicContact CB-CD 4.2Å; E559-K563 HydrophobicContact CG-CD 4.41Å; E559-K563 WeakPolarHBondContact OE2-CB 3.27Å; E559-W564 HydrophobicContact CB-CD2 4.44Å; E559-W564 HydrophobicContact CB-CZ2 3.98Å; E559-W564 HydrophobicContact CG-CZ2 4.25Å; E559-W564 PolarHBondContact O-NE1 3.01Å; E559-R567 IonicContact OE1-CZ 3.56Å; E559-R567 IonicContact OE1-NE 3.98Å; E559-R567 PolarHBondContact OE1-NE 3.3Å; E559-R567 IonicContact OE1-NH2 2.71Å; E559-R567 PolarHBondContact OE1-NH2 3.34Å; E559-R567 IonicContact OE2-CZ 2.75Å; E559-R567 IonicContact OE2-NE 3.79Å; E559-R567 PolarHBondContact OE2-NE 3Å; E559-R567 IonicContact OE2-NH2 2.62Å
560	V	96.8	Very high	95.3	Very high	14 Å²	14	31.2 Å²	31.2	9%	0.085	18%	0.18	C	C	.	.			trans	-69.7	155.3	170.4	-69.7	0	0	0	0	110.8	L171 L172 N497 G562 K563 W564	L171-V560 WeakPolarHBondContact O-CG2 3.37Å; L172-V560 HydrophobicContact CD2-CG2 3.98Å; N497-V560 HydrophobicContact CB-CG1 3.99Å; V560-G562 VanDerWaalsContact C-N 3.29Å; V560-G562 PolarHBondContact O-N 3.38Å; V560-K563 HydrophobicContact CG2-CD 4.17Å; V560-K563 HydrophobicContact CG2-CG 4.03Å; V560-K563 PolarHBondContact O-N 3.06Å; V560-W564 PolarHBondContact O-N 3.43Å
561	F	96.3	Very high	95.7	Very high	6 Å²	6	28 Å²	28	3%	0.026	17%	0.165	C	C	.	.	H	α-helix	trans	-54.1	-39.8	-175.3	-177.9	-102.5	0	0	0	114.3	D174 E495 K563 W564 R565 V606 V618 S620 W622	D174-F561 WeakPolarHBondContact OD2-CD1 3.28Å; E495-F561 WeakPolarHBondContact OE2-CB 3.43Å; E495-F561 PolarHBondContact OE2-N 2.84Å; F561-K563 PolarHBondContact O-N 3.22Å; F561-K563 VanDerWaalsContact O-N 3.12Å; F561-W564 CarbonylContact O-C 3.51Å; F561-W564 WeakPolarHBondContact O-CA 3.5Å; F561-W564 WeakPolarHBondContact O-CB 3.39Å; F561-W564 PolarHBondContact O-N 3.29Å; F561-R565 HydrophobicContact CD1-CB 4.43Å; F561-R565 HydrophobicContact CE1-CB 3.93Å; F561-R565 HydrophobicContact CZ-CB 4.14Å; F561-R565 WeakPolarHBondContact O-CB 3.38Å; F561-R565 PolarHBondContact O-N 2.98Å; F561-V606 HydrophobicContact CD1-CG1 4.4Å; F561-V606 HydrophobicContact CD1-CG2 4.25Å; F561-V606 HydrophobicContact CD2-CG1 4.25Å; F561-V606 HydrophobicContact CE1-CB 4.36Å; F561-V606 HydrophobicContact CE1-CG1 4.24Å; F561-V606 HydrophobicContact CE1-CG2 3.4Å; F561-V606 HydrophobicContact CE2-CG1 4.07Å; F561-V606 HydrophobicContact CE2-CG2 4.08Å; F561-V606 HydrophobicContact CG-CG1 4.41Å; F561-V606 HydrophobicContact CZ-CB 4.32Å; F561-V606 HydrophobicContact CZ-CG1 4.06Å; F561-V606 HydrophobicContact CZ-CG2 3.28Å; F561-V618 HydrophobicContact CB-CG1 4.25Å; F561-V618 HydrophobicContact CB-CG2 4.24Å; F561-V618 HydrophobicContact CD2-CB 4.38Å; F561-V618 HydrophobicContact CD2-CG2 3.94Å; F561-V618 HydrophobicContact CG-CG2 4.47Å; F561-S620 WeakPolarHBondContact CE2-OG 3.11Å; F561-W622 AromaticContact CE2-CZ2 3.92Å; F561-W622 HydrophobicContact CE2-CZ2 3.92Å; F561-W622 HydrophobicContact CZ-CH2 4.16Å; F561-W622 AromaticContact CZ-CZ2 3.76Å; F561-W622 HydrophobicContact CZ-CZ2 3.76Å
562	G	94.6	Very high	96.1	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.01	16%	0.163	C	C	.	.	H	α-helix	trans	-53	-35.9	177.7	0	0	0	0	0	113.4	L171 V560 A566	L171-G562 WeakPolarHBondContact CD2-O 3.32Å; V560-G562 VanDerWaalsContact C-N 3.29Å; V560-G562 PolarHBondContact O-N 3.38Å; G562-A566 PolarHBondContact O-N 3.29Å
563	K	95.8	Very high	96.4	Very high	35 Å²	35	23.9 Å²	23.9	15%	0.152	14%	0.136	C	C	.	.	H	α-helix	trans	-74.3	-41.3	175.6	-61.5	-176.5	-172.4	-124.5	0	112.7	L171 T500 E559 V560 F561 R565 A566 R567	L171-K563 HydrophobicContact CB-CG 4.22Å; L171-K563 HydrophobicContact CD2-CG 4.24Å; T500-K563 HydrophobicContact CG2-CD 4.03Å; T500-K563 WeakPolarHBondContact OG1-CE 3.45Å; T500-K563 PolarHBondContact OG1-NZ 3.43Å; E559-K563 HydrophobicContact CB-CB 4.01Å; E559-K563 HydrophobicContact CB-CD 4.2Å; E559-K563 HydrophobicContact CG-CD 4.41Å; E559-K563 WeakPolarHBondContact OE2-CB 3.27Å; V560-K563 HydrophobicContact CG2-CD 4.17Å; V560-K563 HydrophobicContact CG2-CG 4.03Å; V560-K563 PolarHBondContact O-N 3.06Å; F561-K563 PolarHBondContact O-N 3.22Å; F561-K563 VanDerWaalsContact O-N 3.12Å; K563-R565 VanDerWaalsContact C-N 3.3Å; K563-R565 PolarHBondContact O-N 3.19Å; K563-A566 PolarHBondContact O-N 2.96Å; K563-R567 WeakPolarHBondContact O-CG 3.45Å; K563-R567 PolarHBondContact O-N 3.08Å
564	W	96.9	Very high	96.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-59.7	-44.6	172.5	-66.1	120	0	0	0	111	L460 R474 L491 E493 E559 V560 F561 A566 R567 F568	L460-W564 HydrophobicContact CB-CE3 4.45Å; L460-W564 HydrophobicContact CB-CH2 3.48Å; L460-W564 VanDerWaalsContact CB-CH2 3.48Å; L460-W564 HydrophobicContact CB-CZ2 4.32Å; L460-W564 HydrophobicContact CB-CZ3 3.55Å; L460-W564 HydrophobicContact CD1-CE3 3.94Å; L460-W564 HydrophobicContact CD1-CH2 4.43Å; L460-W564 HydrophobicContact CD1-CZ3 3.7Å; L460-W564 HydrophobicContact CG-CZ3 4.29Å; R474-W564 HydrophobicContact CG-CZ3 4.42Å; L491-W564 HydrophobicContact CD2-CB 3.64Å; L491-W564 HydrophobicContact CD2-CD2 4.48Å; L491-W564 HydrophobicContact CD2-CG 3.91Å; E493-W564 HydrophobicContact CG-CZ2 4.18Å; E559-W564 HydrophobicContact CB-CD2 4.44Å; E559-W564 HydrophobicContact CB-CZ2 3.98Å; E559-W564 HydrophobicContact CG-CZ2 4.25Å; E559-W564 PolarHBondContact O-NE1 3.01Å; V560-W564 PolarHBondContact O-N 3.43Å; F561-W564 CarbonylContact O-C 3.51Å; F561-W564 WeakPolarHBondContact O-CA 3.5Å; F561-W564 WeakPolarHBondContact O-CB 3.39Å; F561-W564 PolarHBondContact O-N 3.29Å; W564-A566 VanDerWaalsContact C-N 3.34Å; W564-A566 PolarHBondContact O-N 3.43Å; W564-R567 PolarHBondContact O-N 3.05Å; W564-F568 VanDerWaalsContact O-CD2 3.27Å; W564-F568 WeakPolarHBondContact O-CD2 3.36Å; W564-F568 PolarHBondContact O-N 2.9Å
565	R	96.6	Very high	96.7	Very high	62 Å²	62	30.3 Å²	30.3	23%	0.234	17%	0.165	C	C	.	.	H	α-helix	trans	-55.6	-47	174.6	170.5	171	56.1	94.7	2.1	111.9	Q170 D174 F561 K563 F568 G569 W622	Q170-R565 PolarHBondContact O-NH2 3.29Å; D174-R565 IonicContact OD1-CZ 3.08Å; D174-R565 IonicContact OD1-NE 2.68Å; D174-R565 IonicContact OD1-NH2 2.75Å; D174-R565 PolarHBondContact OD1-NH2 3.34Å; F561-R565 HydrophobicContact CD1-CB 4.43Å; F561-R565 HydrophobicContact CE1-CB 3.93Å; F561-R565 HydrophobicContact CZ-CB 4.14Å; F561-R565 WeakPolarHBondContact O-CB 3.38Å; F561-R565 PolarHBondContact O-N 2.98Å; K563-R565 VanDerWaalsContact C-N 3.3Å; K563-R565 PolarHBondContact O-N 3.19Å; R565-F568 PolarHBondContact O-N 3.11Å; R565-G569 PolarHBondContact O-N 3.44Å; R565-W622 HydrophobicContact CB-CH2 3.95Å; R565-W622 HydrophobicContact CG-CH2 4.07Å
566	A	95.8	Very high	96.7	Very high	15 Å²	15	31.6 Å²	31.6	12%	0.124	17%	0.174	C	C	.	.	H	α-helix	trans	-61.6	-46.8	175.4	0	0	0	0	0	112.5	L171 W196 G562 K563 W564 F568 G569 M570	L171-A566 HydrophobicContact CD2-CB 3.74Å; W196-A566 HydrophobicContact CH2-CB 3.87Å; W196-A566 HydrophobicContact CZ3-CB 4.21Å; G562-A566 PolarHBondContact O-N 3.29Å; K563-A566 PolarHBondContact O-N 2.96Å; W564-A566 VanDerWaalsContact C-N 3.34Å; W564-A566 PolarHBondContact O-N 3.43Å; A566-F568 PolarHBondContact O-N 3.22Å; A566-G569 PolarHBondContact O-N 2.69Å; A566-M570 WeakPolarHBondContact O-CB 3.49Å; A566-M570 VanDerWaalsContact O-CG 3.31Å; A566-M570 WeakPolarHBondContact O-CG 3.02Å; A566-M570 PolarHBondContact O-N 3.42Å
567	R	97.2	Very high	96.4	Very high	21 Å²	21	36.1 Å²	36.1	8%	0.079	21%	0.206	C	C	.	.	H	α-helix	trans	-60.5	-43.7	178.1	-70.8	-176.8	-174.3	-80.6	-2.6	112.4	E466 D475 L478 E559 K563 W564 M570 A571	E466-R567 IonicContact OE1-CZ 3.73Å; E466-R567 IonicContact OE1-NH1 2.79Å; E466-R567 IonicContact OE1-NH2 3.05Å; E466-R567 PolarHBondContact OE1-NH2 3.35Å; E466-R567 VanDerWaalsContact OE1-NH2 3.15Å; E466-R567 IonicContact OE2-CZ 2.74Å; E466-R567 IonicContact OE2-NH1 3.17Å; E466-R567 PolarHBondContact OE2-NH1 2.87Å; E466-R567 VanDerWaalsContact OE2-NH1 3.13Å; E466-R567 IonicContact OE2-NH2 3.23Å; E466-R567 PolarHBondContact OE2-NH2 2.89Å; D475-R567 IonicContact OD1-CZ 3.84Å; D475-R567 IonicContact OD1-NH1 2.67Å; D475-R567 PolarHBondContact OD1-NH1 3.46Å; D475-R567 IonicContact OD2-NH1 2.8Å; D475-R567 PolarHBondContact OD2-NH1 2.81Å; L478-R567 HydrophobicContact CD1-CB 3.81Å; E559-R567 IonicContact OE1-CZ 3.56Å; E559-R567 IonicContact OE1-NE 3.98Å; E559-R567 PolarHBondContact OE1-NE 3.3Å; E559-R567 IonicContact OE1-NH2 2.71Å; E559-R567 PolarHBondContact OE1-NH2 3.34Å; E559-R567 IonicContact OE2-CZ 2.75Å; E559-R567 IonicContact OE2-NE 3.79Å; E559-R567 PolarHBondContact OE2-NE 3Å; E559-R567 IonicContact OE2-NH2 2.62Å; K563-R567 WeakPolarHBondContact O-CG 3.45Å; K563-R567 PolarHBondContact O-N 3.08Å; W564-R567 PolarHBondContact O-N 3.05Å; R567-M570 PolarHBondContact O-N 3.01Å; R567-A571 WeakPolarHBondContact O-CB 3.41Å; R567-A571 PolarHBondContact O-N 3.17Å
568	F	98	Very high	95.9	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-63.8	-45.2	175.7	-89.5	-104.2	0	0	0	111.5	L456 L460 L478 V489 L491 W564 R565 A566 M570 A571 G572 F573 W622	L456-F568 HydrophobicContact CD1-CZ 3.98Å; L460-F568 HydrophobicContact CD1-CE2 3.94Å; L460-F568 HydrophobicContact CD1-CZ 4.36Å; L478-F568 HydrophobicContact CD1-CD2 4.28Å; L478-F568 HydrophobicContact CD1-CE2 4.44Å; L478-F568 HydrophobicContact CD2-CD2 4.23Å; L478-F568 HydrophobicContact CD2-CE1 4.24Å; L478-F568 HydrophobicContact CD2-CE2 3.77Å; L478-F568 HydrophobicContact CD2-CZ 3.78Å; V489-F568 HydrophobicContact CB-CE1 4.44Å; V489-F568 HydrophobicContact CG1-CE1 3.92Å; V489-F568 HydrophobicContact CG1-CZ 4.36Å; L491-F568 HydrophobicContact CB-CE2 4.37Å; L491-F568 HydrophobicContact CB-CZ 4.03Å; L491-F568 HydrophobicContact CD1-CE2 4.12Å; L491-F568 HydrophobicContact CD1-CZ 4.27Å; L491-F568 HydrophobicContact CD2-CD2 4.49Å; L491-F568 HydrophobicContact CD2-CE2 3.85Å; L491-F568 HydrophobicContact CD2-CZ 4.35Å; L491-F568 HydrophobicContact CG-CE2 4.35Å; L491-F568 HydrophobicContact CG-CZ 4.46Å; W564-F568 VanDerWaalsContact O-CD2 3.27Å; W564-F568 WeakPolarHBondContact O-CD2 3.36Å; W564-F568 PolarHBondContact O-N 2.9Å; R565-F568 PolarHBondContact O-N 3.11Å; A566-F568 PolarHBondContact O-N 3.22Å; F568-M570 PolarHBondContact O-N 3.1Å; F568-A571 PolarHBondContact O-N 3.01Å; F568-G572 PolarHBondContact O-N 2.92Å; F568-F573 HydrophobicContact CB-CB 4.13Å; F568-F573 HydrophobicContact CB-CD2 4.29Å; F568-F573 HydrophobicContact CD1-CB 3.96Å; F568-F573 AromaticContact CD1-CD2 3.59Å; F568-F573 HydrophobicContact CD1-CD2 3.59Å; F568-F573 HydrophobicContact CD1-CE2 4.18Å; F568-F573 AromaticContact CD1-CG 3.78Å; F568-F573 HydrophobicContact CD1-CG 3.78Å; F568-F573 HydrophobicContact CE1-CD2 4.3Å; F568-F573 HydrophobicContact CE1-CE2 4.48Å; F568-F573 HydrophobicContact CG-CD2 4.21Å; F568-F573 WeakPolarHBondContact O-CB 3.18Å; F568-F573 WeakPolarHBondContact O-CD2 3.37Å; F568-F573 PolarHBondContact O-N 3.17Å; F568-W622 HydrophobicContact CB-CD2 3.92Å; F568-W622 HydrophobicContact CB-CE3 3.67Å; F568-W622 HydrophobicContact CB-CH2 4Å; F568-W622 HydrophobicContact CB-CZ2 4.18Å; F568-W622 HydrophobicContact CB-CZ3 3.71Å; F568-W622 HydrophobicContact CD1-CB 3.89Å; F568-W622 AromaticContact CD1-CD1 3.6Å; F568-W622 AromaticContact CD1-CD2 3.4Å; F568-W622 HydrophobicContact CD1-CD2 3.4Å; F568-W622 AromaticContact CD1-CE2 3.76Å; F568-W622 AromaticContact CD1-CE3 3.94Å; F568-W622 HydrophobicContact CD1-CE3 3.94Å; F568-W622 AromaticContact CD1-CG 3.34Å; F568-W622 HydrophobicContact CD1-CG 3.34Å; F568-W622 AromaticContact CD1-NE1 3.84Å; F568-W622 HydrophobicContact CE1-CB 4.1Å; F568-W622 AromaticContact CE1-CD1 3.41Å; F568-W622 VanDerWaalsContact CE1-CD1 3.41Å; F568-W622 HydrophobicContact CE1-CD2 4.06Å; F568-W622 AromaticContact CE1-CG 3.59Å; F568-W622 HydrophobicContact CE1-CG 3.59Å; F568-W622 AromaticContact CE1-NE1 3.82Å; F568-W622 AromaticContact CG-CD2 3.8Å; F568-W622 HydrophobicContact CG-CD2 3.8Å; F568-W622 AromaticContact CG-CE2 3.84Å; F568-W622 HydrophobicContact CG-CE3 4.09Å; F568-W622 HydrophobicContact CG-CG 4.21Å; F568-W622 HydrophobicContact CG-CZ2 4.22Å; F568-W622 HydrophobicContact CG-CZ3 4.44Å
569	G	97.1	Very high	94.6	Very high	41 Å²	41	37.6 Å²	37.6	42%	0.423	22%	0.22	S	C	.	.	H	α-helix	trans	-58.3	-46	175.3	0	0	0	0	0	112.5	R565 A566 A571 G572	R565-G569 PolarHBondContact O-N 3.44Å; A566-G569 PolarHBondContact O-N 2.69Å; G569-A571 VanDerWaalsContact C-N 3.3Å; G569-A571 PolarHBondContact O-N 3.26Å; G569-G572 WeakPolarHBondContact O-CA 3.46Å; G569-G572 PolarHBondContact O-N 2.78Å
570	M	96.9	Very high	93.2	Very high	136 Å²	136	41.2 Å²	41.2	67%	0.67	25%	0.245	S	C	*	.	H	α-helix	trans	-63.5	-32.2	176.3	-72.3	176.2	61.5	0	0	113.2	A566 R567 F568 G572	A566-M570 WeakPolarHBondContact O-CB 3.49Å; A566-M570 VanDerWaalsContact O-CG 3.31Å; A566-M570 WeakPolarHBondContact O-CG 3.02Å; A566-M570 PolarHBondContact O-N 3.42Å; R567-M570 PolarHBondContact O-N 3.01Å; F568-M570 PolarHBondContact O-N 3.1Å; M570-G572 PolarHBondContact O-N 3.34Å
571	A	97.8	Very high	92	Very high	13 Å²	13	43.7 Å²	43.7	11%	0.107	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-3.8	172.6	0	0	0	0	0	113.2	L478 R479 R482 R567 F568 G569 F573	L478-A571 HydrophobicContact CB-CB 3.75Å; R479-A571 HydrophobicContact CG-CB 4.22Å; R482-A571 WeakPolarHBondContact CG-O 3.36Å; R567-A571 WeakPolarHBondContact O-CB 3.41Å; R567-A571 PolarHBondContact O-N 3.17Å; F568-A571 PolarHBondContact O-N 3.01Å; G569-A571 VanDerWaalsContact C-N 3.3Å; G569-A571 PolarHBondContact O-N 3.26Å; A571-F573 HydrophobicContact CB-CD2 3.86Å; A571-F573 HydrophobicContact CB-CE2 3.94Å
572	G	97.5	Very high	91	Very high	31 Å²	31	43.7 Å²	43.7	32%	0.32	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.5	0.7	175.4	0	0	0	0	0	114.8	R482 F568 G569 M570	R482-G572 PolarHBondContact NH1-O 3.02Å; R482-G572 PolarHBondContact NH2-O 3.23Å; F568-G572 PolarHBondContact O-N 2.92Å; G569-G572 WeakPolarHBondContact O-CA 3.46Å; G569-G572 PolarHBondContact O-N 2.78Å; M570-G572 PolarHBondContact O-N 3.34Å
573	F	98.1	Very high	89.8	Confident	6 Å²	6	44.1 Å²	44.1	3%	0.026	27%	0.267	C	S	.	.			trans	-69.2	150.1	179.2	-67.7	-77.1	0	0	0	112.5	L478 V481 R482 V489 F568 A571 W622 R623	L478-F573 HydrophobicContact CB-CE2 4.41Å; L478-F573 WeakPolarHBondContact O-CE2 3.47Å; V481-F573 HydrophobicContact CB-CZ 4.38Å; V481-F573 HydrophobicContact CG1-CZ 3.94Å; R482-F573 HydrophobicContact CB-CE1 4Å; R482-F573 HydrophobicContact CB-CE2 3.78Å; R482-F573 HydrophobicContact CB-CZ 3.48Å; R482-F573 VanDerWaalsContact CB-CZ 3.48Å; R482-F573 HydrophobicContact CG-CE1 4.49Å; R482-F573 HydrophobicContact CG-CZ 4.39Å; V489-F573 HydrophobicContact CB-CE1 4.37Å; V489-F573 HydrophobicContact CG2-CD1 4.31Å; V489-F573 HydrophobicContact CG2-CE1 3.52Å; V489-F573 HydrophobicContact CG2-CZ 4.04Å; F568-F573 HydrophobicContact CB-CB 4.13Å; F568-F573 HydrophobicContact CB-CD2 4.29Å; F568-F573 HydrophobicContact CD1-CB 3.96Å; F568-F573 AromaticContact CD1-CD2 3.59Å; F568-F573 HydrophobicContact CD1-CD2 3.59Å; F568-F573 HydrophobicContact CD1-CE2 4.18Å; F568-F573 AromaticContact CD1-CG 3.78Å; F568-F573 HydrophobicContact CD1-CG 3.78Å; F568-F573 HydrophobicContact CE1-CD2 4.3Å; F568-F573 HydrophobicContact CE1-CE2 4.48Å; F568-F573 HydrophobicContact CG-CD2 4.21Å; F568-F573 WeakPolarHBondContact O-CB 3.18Å; F568-F573 WeakPolarHBondContact O-CD2 3.37Å; F568-F573 PolarHBondContact O-N 3.17Å; A571-F573 HydrophobicContact CB-CD2 3.86Å; A571-F573 HydrophobicContact CB-CE2 3.94Å; F573-W622 HydrophobicContact CB-CB 4.12Å; F573-W622 HydrophobicContact CB-CE3 4.07Å; F573-W622 HydrophobicContact CD1-CB 4.15Å; F573-W622 HydrophobicContact CG-CB 4.33Å; F573-R623 CarbonylContact C-O 3.58Å; F573-R623 WeakPolarHBondContact CA-O 3.3Å
574	R	96.5	Very high	88.6	Confident	144 Å²	144	49.4 Å²	49.4	54%	0.543	29%	0.292	S	S	.	.			trans	-114.1	136.5	169.9	-65.2	-176.8	177.7	-178.4	-2.5	109.6	W622 R623	R574-W622 CarbonylContact O-C 3.51Å; R574-W622 VanDerWaalsContact O-CA 3.3Å; R574-W622 WeakPolarHBondContact O-CA 3.33Å; R574-R623 HydrophobicContact CB-CG 4.31Å; R574-R623 PolarHBondContact N-O 3.31Å; R574-R623 PolarHBondContact O-N 3.48Å
575	P	95.8	Very high	87.6	Confident	78 Å²	78	55.2 Å²	55.2	51%	0.506	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	145.7	176.9	27.1	-33.8	0	0	0	110.6	W622	P575-W622 HydrophobicContact CB-CE3 4.14Å; P575-W622 HydrophobicContact CB-CH2 4.39Å; P575-W622 HydrophobicContact CB-CZ3 3.91Å; P575-W622 HydrophobicContact CG-CZ3 4.43Å
576	V	94.2	Very high	86.7	Confident	54 Å²	54	52.4 Å²	52.4	33%	0.327	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	118.6	171.2	178.3	0	0	0	0	106.5	L578 A621 R623	V576-L578 PolarHBondContact O-N 3.41Å; V576-A621 HydrophobicContact CB-CB 4.04Å; V576-A621 PolarHBondContact N-O 3.31Å; V576-R623 HydrophobicContact CG2-CB 4.05Å; V576-R623 HydrophobicContact CG2-CG 3.81Å
577	S	91.7	Very high	85.6	Confident	96 Å²	96	53.1 Å²	53.1	67%	0.671	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-62.3	119.4	-179.1	-55	0	0	0	0	110.3	G579	S577-G579 PolarHBondContact O-N 2.9Å
578	L	86.5	Confident	84.3	Confident	13 Å²	13	54.7 Å²	54.7	7%	0.068	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-69.1	122.4	167.2	-63.3	-176.1	0	0	0	108.2	A349 V576 I582 G605 L607 A619 A621	A349-L578 HydrophobicContact CB-CD2 3.47Å; A349-L578 VanDerWaalsContact CB-CD2 3.47Å; V576-L578 PolarHBondContact O-N 3.41Å; L578-I582 HydrophobicContact CD2-CD1 4.33Å; L578-G605 PolarHBondContact N-O 2.79Å; L578-L607 HydrophobicContact CB-CD1 4.22Å; L578-L607 HydrophobicContact CB-CG 4.02Å; L578-L607 HydrophobicContact CD1-CB 4.4Å; L578-L607 HydrophobicContact CD1-CD1 4.06Å; L578-L607 HydrophobicContact CD1-CG 3.93Å; L578-A619 HydrophobicContact CD1-CB 4.22Å; L578-A619 VanDerWaalsContact CD1-O 3.29Å; L578-A619 WeakPolarHBondContact CD1-O 3.43Å; L578-A621 HydrophobicContact CD2-CB 3.62Å; L578-A621 HydrophobicContact CG-CB 4.42Å
579	G	68.4	Low	83	Confident	24 Å²	24	57.2 Å²	57.2	25%	0.247	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-60.3	140	-179.9	0	0	0	0	0	111.3	S577 S581 I582	S577-G579 PolarHBondContact O-N 2.9Å; G579-S581 PolarHBondContact O-N 2.96Å; G579-S581 VanDerWaalsContact O-N 3.12Å; G579-I582 WeakPolarHBondContact O-CB 3.42Å; G579-I582 PolarHBondContact O-N 3.1Å
580	S	69.1	Low	81.8	Confident	75 Å²	75	59.2 Å²	59.2	52%	0.524	35%	0.35	S	S	.	.	H	α-helix	trans	-55.2	-28.5	171.5	55.6	0	0	0	0	111.9	I582 A583 E584	S580-I582 VanDerWaalsContact C-N 3.27Å; S580-I582 PolarHBondContact O-N 2.99Å; S580-A583 WeakPolarHBondContact O-CB 3.39Å; S580-A583 PolarHBondContact O-N 2.95Å; S580-A583 VanDerWaalsContact O-N 3.1Å; S580-E584 PolarHBondContact O-N 3.08Å
581	S	71.5	Confident	80.4	Confident	66 Å²	66	53.7 Å²	53.7	46%	0.462	32%	0.324	S	S	.	.	H	α-helix	trans	-56.8	-36.8	173.1	58.2	0	0	0	0	113.2	G579 A583 E584 E585	G579-S581 PolarHBondContact O-N 2.96Å; G579-S581 VanDerWaalsContact O-N 3.12Å; S581-A583 VanDerWaalsContact C-N 3.34Å; S581-E584 PolarHBondContact O-N 3.18Å; S581-E585 WeakPolarHBondContact O-CB 3.49Å; S581-E585 PolarHBondContact O-N 3.4Å
582	I	74.5	Confident	79.2	Confident	6 Å²	6	55.6 Å²	55.6	3%	0.031	35%	0.345	C	S	.	.	H	α-helix	trans	-62.9	-45.7	176.6	-63.7	177	0	0	0	109.2	A345 A348 L578 G579 S580 L586 L607	A345-I582 HydrophobicContact CB-CG2 4.12Å; A348-I582 HydrophobicContact CB-CG2 3.93Å; L578-I582 HydrophobicContact CD2-CD1 4.33Å; G579-I582 WeakPolarHBondContact O-CB 3.42Å; G579-I582 PolarHBondContact O-N 3.1Å; S580-I582 VanDerWaalsContact C-N 3.27Å; S580-I582 PolarHBondContact O-N 2.99Å; I582-L586 HydrophobicContact CG2-CD1 3.52Å; I582-L586 HydrophobicContact CG2-CG 4.18Å; I582-L586 VanDerWaalsContact O-CB 3.22Å; I582-L586 WeakPolarHBondContact O-CB 3.33Å; I582-L586 WeakPolarHBondContact O-CG 3.3Å; I582-L586 PolarHBondContact O-N 3.42Å; I582-L607 HydrophobicContact CG2-CD1 4.19Å
583	A	70.9	Confident	78.4	Confident	11 Å²	11	62 Å²	62	9%	0.091	37%	0.366	C	S	.	.	H	α-helix	trans	-62.8	-48.4	179.4	0	0	0	0	0	111.6	S580 S581 L586 V587 V600 L607	S580-A583 WeakPolarHBondContact O-CB 3.39Å; S580-A583 PolarHBondContact O-N 2.95Å; S580-A583 VanDerWaalsContact O-N 3.1Å; S581-A583 VanDerWaalsContact C-N 3.34Å; A583-L586 PolarHBondContact O-N 3.34Å; A583-V587 WeakPolarHBondContact O-CB 3.31Å; A583-V587 WeakPolarHBondContact O-CG2 3.4Å; A583-V587 PolarHBondContact O-N 3.43Å; A583-V600 HydrophobicContact CB-CG1 3.88Å; A583-L607 HydrophobicContact CB-CD1 4.2Å; A583-L607 HydrophobicContact CB-CD2 3.91Å
584	E	69.8	Low	77.6	Confident	145 Å²	145	64.4 Å²	64.4	68%	0.678	38%	0.381	S	S	*	.	H	α-helix	trans	-62.9	-47	-179.2	-69.4	176.4	-175.7	0	0	112.3	S580 S581 L586 G588	S580-E584 PolarHBondContact O-N 3.08Å; S581-E584 PolarHBondContact O-N 3.18Å; E584-L586 PolarHBondContact O-N 3.29Å; E584-G588 PolarHBondContact O-N 3.34Å; E584-G588 VanDerWaalsContact O-N 3.17Å
585	E	75.5	Confident	77.1	Confident	122 Å²	122	58.1 Å²	58.1	57%	0.57	36%	0.359	S	S	*	.	H	α-helix	trans	-62.2	-44.6	179.4	-174.5	-178.3	167.3	0	0	111	S581 A589	S581-E585 WeakPolarHBondContact O-CB 3.49Å; S581-E585 PolarHBondContact O-N 3.4Å; E585-A589 WeakPolarHBondContact O-CB 3.46Å; E585-A589 PolarHBondContact O-N 3.07Å
586	L	78.3	Confident	76.7	Confident	4 Å²	4	60.5 Å²	60.5	2%	0.021	37%	0.374	C	S	.	.	H	α-helix	trans	-72	-40.9	-176.7	-68.5	179.8	0	0	0	112.8	V341 H344 A345 Y378 I582 A583 E584 R590	V341-L586 HydrophobicContact CG1-CB 3.97Å; H344-L586 HydrophobicContact CB-CD1 3.96Å; H344-L586 HydrophobicContact CB-CD2 3.85Å; H344-L586 HydrophobicContact CB-CG 4.48Å; A345-L586 HydrophobicContact CB-CD1 3.79Å; A345-L586 VanDerWaalsContact N-CD1 3.3Å; Y378-L586 WeakPolarHBondContact OH-CD2 3.32Å; I582-L586 HydrophobicContact CG2-CD1 3.52Å; I582-L586 HydrophobicContact CG2-CG 4.18Å; I582-L586 VanDerWaalsContact O-CB 3.22Å; I582-L586 WeakPolarHBondContact O-CB 3.33Å; I582-L586 WeakPolarHBondContact O-CG 3.3Å; I582-L586 PolarHBondContact O-N 3.42Å; A583-L586 PolarHBondContact O-N 3.34Å; E584-L586 PolarHBondContact O-N 3.29Å; L586-R590 HydrophobicContact CD2-CG 4.21Å; L586-R590 WeakPolarHBondContact O-CA 3.21Å; L586-R590 VanDerWaalsContact O-CB 3.24Å; L586-R590 WeakPolarHBondContact O-CB 3.49Å; L586-R590 PolarHBondContact O-N 2.91Å
587	V	73	Confident	76.5	Confident	29 Å²	29	58 Å²	58	18%	0.176	36%	0.36	C	S	.	.	I	π-helix	trans	-62.2	-51.5	178.6	172.5	0	0	0	0	109.9	A583 V591 V594 F598 V600	A583-V587 WeakPolarHBondContact O-CB 3.31Å; A583-V587 WeakPolarHBondContact O-CG2 3.4Å; A583-V587 PolarHBondContact O-N 3.43Å; V587-V591 VanDerWaalsContact O-CB 3.3Å; V587-V591 WeakPolarHBondContact O-CB 3.49Å; V587-V591 PolarHBondContact O-N 2.68Å; V587-V594 HydrophobicContact CG1-CG2 3.49Å; V587-V594 VanDerWaalsContact CG1-CG2 3.49Å; V587-F598 HydrophobicContact CG2-CE1 4.37Å; V587-V600 HydrophobicContact CG2-CB 4.23Å; V587-V600 HydrophobicContact CG2-CG2 3.48Å; V587-V600 VanDerWaalsContact CG2-CG2 3.48Å
588	G	68.2	Low	76.6	Confident	54 Å²	54	53.8 Å²	53.8	56%	0.557	33%	0.33	S	S	*	.	I	π-helix	trans	-63.9	-44.6	179.9	0	0	0	0	0	113.1	E584	E584-G588 PolarHBondContact O-N 3.34Å; E584-G588 VanDerWaalsContact O-N 3.17Å
589	A	71.4	Confident	76.9	Confident	54 Å²	54	56.1 Å²	56.1	45%	0.446	34%	0.344	S	S	.	.	I	π-helix	trans	-89.3	-15.4	-170.1	0	0	0	0	0	115	E585	E585-A589 WeakPolarHBondContact O-CB 3.46Å; E585-A589 PolarHBondContact O-N 3.07Å
590	R	72.3	Confident	78	Confident	83 Å²	83	56.8 Å²	56.8	31%	0.313	34%	0.344	S	S	.	.	I	π-helix	trans	-127.2	-17.4	-172.7	-55.5	-66.4	178.2	-94.9	0.4	114.9	R340 L586	R340-R590 PolarHBondContact NH2-O 3.19Å; L586-R590 HydrophobicContact CD2-CG 4.21Å; L586-R590 WeakPolarHBondContact O-CA 3.21Å; L586-R590 VanDerWaalsContact O-CB 3.24Å; L586-R590 WeakPolarHBondContact O-CB 3.49Å; L586-R590 PolarHBondContact O-N 2.91Å
591	V	67.1	Low	79	Confident	20 Å²	20	57.1 Å²	57.1	12%	0.121	34%	0.336	C	S	.	.	I	π-helix	trans	-91.9	-29.4	171.9	-171.7	0	0	0	0	110.6	V341 V587 H593 V594 F598	V341-V591 HydrophobicContact CG2-CG2 3.43Å; V341-V591 VanDerWaalsContact CG2-CG2 3.43Å; V587-V591 VanDerWaalsContact O-CB 3.3Å; V587-V591 WeakPolarHBondContact O-CB 3.49Å; V587-V591 PolarHBondContact O-N 2.68Å; V591-H593 PolarHBondContact O-N 2.96Å; V591-V594 HydrophobicContact CB-CG2 4.36Å; V591-V594 HydrophobicContact CG1-CG2 4.26Å; V591-F598 HydrophobicContact CG1-CD1 4.43Å; V591-F598 HydrophobicContact CG2-CD1 4.47Å; V591-F598 HydrophobicContact CG2-CE1 3.91Å
592	G	73.9	Confident	79.9	Confident	53 Å²	53	56.8 Å²	56.8	55%	0.546	34%	0.337	S	S	.	.	S	Bend	trans	68.1	-111.2	-174.4	0	0	0	0	0	109.5	V594	G592-V594 PolarHBondContact O-N 3.38Å; G592-V594 VanDerWaalsContact O-N 3.15Å
593	H	79.3	Confident	80.5	Confident	164 Å²	164	59.6 Å²	59.6	76%	0.759	35%	0.35	S	S	*	.	S	Bend	trans	-75.9	101.8	171.5	-178.4	-79.5	0	0	0	110.1	V591 P595	V591-H593 PolarHBondContact O-N 2.96Å; H593-P595 VanDerWaalsContact O-CD 3.26Å; H593-P595 WeakPolarHBondContact O-CD 3.37Å
594	V	82.1	Confident	81.1	Confident	58 Å²	58	65.7 Å²	65.7	35%	0.352	38%	0.381	S	S	.	.			trans	-60.2	116.4	177	-178.2	0	0	0	0	110	V587 V591 G592 F598	V587-V594 HydrophobicContact CG1-CG2 3.49Å; V587-V594 VanDerWaalsContact CG1-CG2 3.49Å; V591-V594 HydrophobicContact CB-CG2 4.36Å; V591-V594 HydrophobicContact CG1-CG2 4.26Å; G592-V594 PolarHBondContact O-N 3.38Å; G592-V594 VanDerWaalsContact O-N 3.15Å; V594-F598 HydrophobicContact CG1-CD1 4.13Å
595	P	85.8	Confident	82	Confident	12 Å²	12	59.8 Å²	59.8	8%	0.078	36%	0.359	C	S	.	.			trans	-61.3	140.5	175.5	-19.5	30.9	0	0	0	110.1	T524 H593 G597 F598 W611	T524-P595 HydrophobicContact CG2-CB 4.28Å; T524-P595 HydrophobicContact CG2-CG 3.53Å; H593-P595 VanDerWaalsContact O-CD 3.26Å; H593-P595 WeakPolarHBondContact O-CD 3.37Å; P595-G597 PolarHBondContact O-N 3.47Å; P595-F598 HydrophobicContact CB-CB 4.35Å; P595-F598 HydrophobicContact CG-CB 4.39Å; P595-F598 PolarHBondContact O-N 3.41Å; P595-W611 HydrophobicContact CB-CH2 3.96Å; P595-W611 HydrophobicContact CB-CZ3 3.99Å
596	P	86.4	Confident	82.8	Confident	127 Å²	127	54.4 Å²	54.4	83%	0.825	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-19.5	-173.8	22.1	-32.9	0	0	0	114.5
597	G	91.4	Very high	83.6	Confident	3 Å²	3	54.3 Å²	54.3	3%	0.031	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-15	174.2	0	0	0	0	0	114.8	P595 W611 M612	P595-G597 PolarHBondContact O-N 3.47Å; G597-W611 CarbonylContact O-C 3.5Å; G597-W611 WeakPolarHBondContact O-CA 3.4Å; G597-M612 PolarHBondContact O-N 3.11Å
598	F	93.4	Very high	84.6	Confident	6 Å²	6	53.9 Å²	53.9	3%	0.026	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	127.3	-176.1	-179.8	-111	0	0	0	111	P337 V341 V587 V591 V594 P595 V600 F609 C610 W611	P337-F598 HydrophobicContact CB-CD1 4.35Å; P337-F598 HydrophobicContact CB-CD2 3.94Å; P337-F598 HydrophobicContact CB-CE1 4.37Å; P337-F598 HydrophobicContact CB-CE2 3.96Å; P337-F598 HydrophobicContact CB-CG 4.13Å; P337-F598 HydrophobicContact CB-CZ 4.17Å; P337-F598 HydrophobicContact CG-CD2 3.99Å; P337-F598 HydrophobicContact CG-CE2 4.43Å; P337-F598 HydrophobicContact CG-CG 4.23Å; V341-F598 HydrophobicContact CB-CZ 4.14Å; V341-F598 HydrophobicContact CG2-CE1 4.24Å; V341-F598 HydrophobicContact CG2-CZ 3.9Å; V587-F598 HydrophobicContact CG2-CE1 4.37Å; V591-F598 HydrophobicContact CG1-CD1 4.43Å; V591-F598 HydrophobicContact CG2-CD1 4.47Å; V591-F598 HydrophobicContact CG2-CE1 3.91Å; V594-F598 HydrophobicContact CG1-CD1 4.13Å; P595-F598 HydrophobicContact CB-CB 4.35Å; P595-F598 HydrophobicContact CG-CB 4.39Å; P595-F598 PolarHBondContact O-N 3.41Å; F598-V600 HydrophobicContact CE1-CG2 3.85Å; F598-V600 HydrophobicContact CZ-CG2 3.71Å; F598-F609 HydrophobicContact CE2-CB 4.23Å; F598-F609 HydrophobicContact CE2-CD1 4.47Å; F598-F609 HydrophobicContact CZ-CD1 4.08Å; F598-C610 WeakPolarHBondContact CA-O 3.43Å; F598-W611 HydrophobicContact CB-CE3 4.14Å; F598-W611 HydrophobicContact CB-CZ3 3.95Å
599	T	92.1	Very high	85.9	Confident	62 Å²	62	51.3 Å²	51.3	38%	0.38	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	152.9	176.3	48.8	0	0	0	0	110.3	C610	T599-C610 PolarHBondContact N-O 2.81Å; T599-C610 PolarHBondContact O-N 3.07Å; T599-C610 WeakPolarHBondContact OG1-CB 3.26Å
600	V	92	Very high	87	Confident	38 Å²	38	48.8 Å²	48.8	23%	0.23	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	122.9	172.2	-175.4	0	0	0	0	107.5	A583 V587 F598 R608 F609	A583-V600 HydrophobicContact CB-CG1 3.88Å; V587-V600 HydrophobicContact CG2-CB 4.23Å; V587-V600 HydrophobicContact CG2-CG2 3.48Å; V587-V600 VanDerWaalsContact CG2-CG2 3.48Å; F598-V600 HydrophobicContact CE1-CG2 3.85Å; F598-V600 HydrophobicContact CZ-CG2 3.71Å; V600-R608 CarbonylContact C-O 3.57Å; V600-R608 WeakPolarHBondContact CA-O 3.27Å; V600-F609 HydrophobicContact CB-CD1 4.45Å; V600-F609 HydrophobicContact CG1-CD1 4.06Å; V600-F609 HydrophobicContact CG1-CE1 3.8Å; V600-F609 HydrophobicContact CG1-CZ 4.42Å; V600-F609 HydrophobicContact CG2-CD1 3.66Å; V600-F609 HydrophobicContact CG2-CE1 3.91Å
601	K	91.1	Very high	88.2	Confident	83 Å²	83	45 Å²	45	36%	0.361	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	129.5	175.8	-62.8	176.7	164.7	-160.2	0	109	E603 L607 R608	K601-E603 HydrophobicContact CB-CG 4.48Å; K601-E603 WeakPolarHBondContact CD-OE1 3.32Å; K601-L607 WeakPolarHBondContact O-CA 3.24Å; K601-R608 HydrophobicContact CB-CB 4.29Å; K601-R608 PolarHBondContact N-O 3.04Å; K601-R608 PolarHBondContact O-N 2.84Å
602	A	90.3	Very high	89.5	Confident	59 Å²	59	50 Å²	50	49%	0.488	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	105.3	174.2	0	0	0	0	0	108.1	V606 L607	A602-V606 WeakPolarHBondContact CA-O 3.34Å; A602-L607 HydrophobicContact CB-CD2 3.58Å
603	E	85.5	Confident	90.5	Very high	65 Å²	65	49.9 Å²	49.9	30%	0.304	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	131.7	-172.4	-72.7	162.3	-175.6	0	0	108.1	K601 G605 V606	K601-E603 HydrophobicContact CB-CG 4.48Å; K601-E603 WeakPolarHBondContact CD-OE1 3.32Å; E603-G605 PolarHBondContact O-N 3.47Å; E603-V606 PolarHBondContact N-O 3.02Å; E603-V606 WeakPolarHBondContact O-CB 3.4Å; E603-V606 PolarHBondContact O-N 3.49Å
604	N	84.7	Confident	91.2	Very high	138 Å²	138	45.1 Å²	45.1	74%	0.738	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	32.3	178.3	-62.2	-32.5	0	0	0	115.3	V606	N604-V606 VanDerWaalsContact C-N 3.29Å; N604-V606 PolarHBondContact O-N 3.49Å
605	G	87.3	Confident	91.9	Very high	22 Å²	22	43.3 Å²	43.3	23%	0.227	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.7	8.7	-179	0	0	0	0	0	114.9	L578 E603	L578-G605 PolarHBondContact N-O 2.79Å; E603-G605 PolarHBondContact O-N 3.47Å
606	V	93.3	Very high	92.5	Very high	9 Å²	9	42.8 Å²	42.8	6%	0.055	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	144.3	-178.5	-176.9	0	0	0	0	108.7	F561 A602 E603 N604 V618 A619	F561-V606 HydrophobicContact CD1-CG1 4.4Å; F561-V606 HydrophobicContact CD1-CG2 4.25Å; F561-V606 HydrophobicContact CD2-CG1 4.25Å; F561-V606 HydrophobicContact CE1-CB 4.36Å; F561-V606 HydrophobicContact CE1-CG1 4.24Å; F561-V606 HydrophobicContact CE1-CG2 3.4Å; F561-V606 HydrophobicContact CE2-CG1 4.07Å; F561-V606 HydrophobicContact CE2-CG2 4.08Å; F561-V606 HydrophobicContact CG-CG1 4.41Å; F561-V606 HydrophobicContact CZ-CB 4.32Å; F561-V606 HydrophobicContact CZ-CG1 4.06Å; F561-V606 HydrophobicContact CZ-CG2 3.28Å; A602-V606 WeakPolarHBondContact CA-O 3.34Å; E603-V606 PolarHBondContact N-O 3.02Å; E603-V606 WeakPolarHBondContact O-CB 3.4Å; E603-V606 PolarHBondContact O-N 3.49Å; N604-V606 VanDerWaalsContact C-N 3.29Å; N604-V606 PolarHBondContact O-N 3.49Å; V606-V618 HydrophobicContact CG1-CB 4.34Å; V606-A619 WeakPolarHBondContact CG1-O 3.25Å
607	L	94.7	Very high	93.1	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	122.5	173.2	-61.8	-178.2	0	0	0	109.7	A345 L578 I582 A583 K601 A602 F609 V618 A619	A345-L607 HydrophobicContact CB-CD1 3.97Å; L578-L607 HydrophobicContact CB-CD1 4.22Å; L578-L607 HydrophobicContact CB-CG 4.02Å; L578-L607 HydrophobicContact CD1-CB 4.4Å; L578-L607 HydrophobicContact CD1-CD1 4.06Å; L578-L607 HydrophobicContact CD1-CG 3.93Å; I582-L607 HydrophobicContact CG2-CD1 4.19Å; A583-L607 HydrophobicContact CB-CD1 4.2Å; A583-L607 HydrophobicContact CB-CD2 3.91Å; K601-L607 WeakPolarHBondContact O-CA 3.24Å; A602-L607 HydrophobicContact CB-CD2 3.58Å; L607-F609 HydrophobicContact CB-CE2 3.84Å; L607-F609 HydrophobicContact CB-CZ 3.76Å; L607-F609 HydrophobicContact CD1-CZ 4.29Å; L607-V618 CarbonylContact O-C 3.45Å; L607-V618 WeakPolarHBondContact O-CA 3.47Å; L607-A619 PolarHBondContact N-O 3.19Å; L607-A619 PolarHBondContact O-N 3.27Å
608	R	95.1	Very high	93.3	Very high	20 Å²	20	36.6 Å²	36.6	8%	0.075	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	125.3	176.3	-57	-179.3	155.2	-75.2	2.5	108.7	D174 E495 V600 K601 A615 V618	D174-R608 IonicContact OD2-CZ 3.52Å; D174-R608 IonicContact OD2-NH2 3.64Å; D174-R608 PolarHBondContact OD2-NH2 3.44Å; E495-R608 IonicContact OE1-CZ 3.65Å; E495-R608 IonicContact OE1-NH1 3.11Å; E495-R608 PolarHBondContact OE1-NH1 2.99Å; E495-R608 IonicContact OE1-NH2 3.58Å; E495-R608 PolarHBondContact OE1-NH2 2.68Å; E495-R608 IonicContact OE2-NH1 3.56Å; V600-R608 CarbonylContact C-O 3.57Å; V600-R608 WeakPolarHBondContact CA-O 3.27Å; K601-R608 HydrophobicContact CB-CB 4.29Å; K601-R608 PolarHBondContact N-O 3.04Å; K601-R608 PolarHBondContact O-N 2.84Å; R608-A615 HydrophobicContact CB-CB 4.47Å; R608-V618 HydrophobicContact CG-CG1 4.13Å; R608-V618 VanDerWaalsContact NH1-CG1 3.32Å
609	F	94.9	Very high	93.5	Very high	1 Å²	1	36.3 Å²	36.3	0%	0.004	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	114.1	-179.4	-55.5	-89.7	0	0	0	108.6	C338 V341 A342 A345 F598 V600 L607 V616 T617 A619	C338-F609 HydrophobicContact CB-CB 4.48Å; V341-F609 HydrophobicContact CB-CD1 3.94Å; V341-F609 HydrophobicContact CB-CE1 3.85Å; V341-F609 HydrophobicContact CG1-CD1 3.97Å; V341-F609 HydrophobicContact CG1-CE1 3.47Å; V341-F609 VanDerWaalsContact CG1-CE1 3.47Å; V341-F609 HydrophobicContact CG1-CZ 4.43Å; A342-F609 VanDerWaalsContact CA-CE2 3.42Å; A342-F609 HydrophobicContact CB-CD2 3.46Å; A342-F609 VanDerWaalsContact CB-CD2 3.46Å; A342-F609 HydrophobicContact CB-CE2 3.44Å; A342-F609 VanDerWaalsContact CB-CE2 3.44Å; A342-F609 HydrophobicContact CB-CG 4.12Å; A342-F609 HydrophobicContact CB-CZ 4.09Å; A345-F609 HydrophobicContact CB-CZ 3.9Å; F598-F609 HydrophobicContact CE2-CB 4.23Å; F598-F609 HydrophobicContact CE2-CD1 4.47Å; F598-F609 HydrophobicContact CZ-CD1 4.08Å; V600-F609 HydrophobicContact CB-CD1 4.45Å; V600-F609 HydrophobicContact CG1-CD1 4.06Å; V600-F609 HydrophobicContact CG1-CE1 3.8Å; V600-F609 HydrophobicContact CG1-CZ 4.42Å; V600-F609 HydrophobicContact CG2-CD1 3.66Å; V600-F609 HydrophobicContact CG2-CE1 3.91Å; L607-F609 HydrophobicContact CB-CE2 3.84Å; L607-F609 HydrophobicContact CB-CZ 3.76Å; L607-F609 HydrophobicContact CD1-CZ 4.29Å; F609-V616 PolarHBondContact O-N 2.97Å; F609-T617 WeakPolarHBondContact CB-OG1 3.4Å; F609-T617 WeakPolarHBondContact CD2-OG1 3.43Å; F609-T617 PolarHBondContact N-O 3.14Å; F609-T617 PolarHBondContact O-N 3.08Å; F609-A619 HydrophobicContact CE2-CB 3.76Å; F609-A619 HydrophobicContact CZ-CB 4.39Å
610	C	95.5	Very high	93.7	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.007	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	146	-165	-60.1	0	0	0	0	111.8	F598 T599 R614 A615	F598-C610 WeakPolarHBondContact CA-O 3.43Å; T599-C610 PolarHBondContact N-O 2.81Å; T599-C610 PolarHBondContact O-N 3.07Å; T599-C610 WeakPolarHBondContact OG1-CB 3.26Å; C610-R614 CarbonylContact C-O 3.46Å; C610-R614 WeakPolarHBondContact CA-O 3.44Å; C610-R614 WeakPolarHBondContact CB-O 3.34Å; C610-A615 VanDerWaalsContact SG-CA 3.6Å
611	W	96.2	Very high	94	Very high	4 Å²	4	31.9 Å²	31.9	2%	0.015	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	122	168	-172.4	-95.6	0	0	0	109.9	A516 E519 S520 A523 P595 G597 F598 G613 R614 V616	A516-W611 HydrophobicContact CB-CB 4.24Å; E519-W611 VanDerWaalsContact CB-NE1 3.34Å; S520-W611 VanDerWaalsContact CA-CZ2 3.5Å; S520-W611 VanDerWaalsContact CB-CD2 3.47Å; S520-W611 VanDerWaalsContact OG-CE3 3.23Å; S520-W611 WeakPolarHBondContact OG-CZ3 3.45Å; A523-W611 HydrophobicContact CB-CH2 3.32Å; A523-W611 HydrophobicContact CB-CZ2 3.41Å; A523-W611 VanDerWaalsContact CB-CZ2 3.41Å; P595-W611 HydrophobicContact CB-CH2 3.96Å; P595-W611 HydrophobicContact CB-CZ3 3.99Å; G597-W611 CarbonylContact O-C 3.5Å; G597-W611 WeakPolarHBondContact O-CA 3.4Å; F598-W611 HydrophobicContact CB-CE3 4.14Å; F598-W611 HydrophobicContact CB-CZ3 3.95Å; W611-G613 PolarHBondContact O-N 3.31Å; W611-R614 PolarHBondContact N-O 3.47Å; W611-R614 PolarHBondContact O-N 3.28Å; W611-V616 HydrophobicContact CB-CG2 3.97Å
612	M	94.7	Very high	94.3	Very high	125 Å²	125	28.1 Å²	28.1	62%	0.616	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.1	42.8	-176.7	-63.2	-63.5	-174.7	0	0	112.6	G597 R614	G597-M612 PolarHBondContact O-N 3.11Å; M612-R614 VanDerWaalsContact C-N 3.25Å; M612-R614 PolarHBondContact O-N 3.48Å
613	G	93.9	Very high	94.5	Very high	50 Å²	50	33.1 Å²	33.1	52%	0.515	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.6	-17	-179.2	0	0	0	0	0	115.3	W611	W611-G613 PolarHBondContact O-N 3.31Å
614	R	95.6	Very high	95	Very high	64 Å²	64	31.5 Å²	31.5	24%	0.242	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	124.9	176	177.1	172	179.6	97.1	4.6	110.8	D509 A512 H513 C610 W611 M612 V616	D509-R614 PolarHBondContact O-NH2 3.1Å; D509-R614 IonicContact OD1-CZ 3.68Å; D509-R614 IonicContact OD1-NH1 3.79Å; D509-R614 PolarHBondContact OD1-NH1 2.89Å; D509-R614 IonicContact OD1-NH2 3.48Å; D509-R614 PolarHBondContact OD1-NH2 2.91Å; A512-R614 VanDerWaalsContact CB-NH1 3.3Å; A512-R614 WeakPolarHBondContact O-CD 3.46Å; H513-R614 VanDerWaalsContact CA-NE 3.26Å; C610-R614 CarbonylContact C-O 3.46Å; C610-R614 WeakPolarHBondContact CA-O 3.44Å; C610-R614 WeakPolarHBondContact CB-O 3.34Å; W611-R614 PolarHBondContact N-O 3.47Å; W611-R614 PolarHBondContact O-N 3.28Å; M612-R614 VanDerWaalsContact C-N 3.25Å; M612-R614 PolarHBondContact O-N 3.48Å; R614-V616 PolarHBondContact O-N 2.91Å
615	A	96.7	Very high	95.5	Very high	20 Å²	20	25.9 Å²	25.9	17%	0.165	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	129.2	168.4	0	0	0	0	0	111	E495 R608 C610	E495-A615 HydrophobicContact CB-CB 4.14Å; E495-A615 HydrophobicContact CG-CB 4.01Å; R608-A615 HydrophobicContact CB-CB 4.47Å; C610-A615 VanDerWaalsContact SG-CA 3.6Å
616	V	98	Very high	96	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	-41.2	-179.2	177.6	0	0	0	0	110.4	C338 F339 Q494 E495 H513 A516 I517 F609 W611 R614	C338-V616 HydrophobicContact CB-CB 3.87Å; C338-V616 HydrophobicContact CB-CG1 3.86Å; C338-V616 HydrophobicContact CB-CG2 4.44Å; F339-V616 HydrophobicContact CE2-CG1 3.83Å; F339-V616 HydrophobicContact CZ-CG1 4.26Å; Q494-V616 WeakPolarHBondContact CA-O 3.42Å; E495-V616 PolarHBondContact N-O 3.29Å; H513-V616 PolarHBondContact CE1-O 3.27Å; A516-V616 HydrophobicContact CB-CG2 4.12Å; I517-V616 HydrophobicContact CD1-CG1 3.97Å; I517-V616 HydrophobicContact CG1-CG1 3.55Å; F609-V616 PolarHBondContact O-N 2.97Å; W611-V616 HydrophobicContact CB-CG2 3.97Å; R614-V616 PolarHBondContact O-N 2.91Å
617	T	97.9	Very high	96.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	160.4	174.5	63.7	0	0	0	0	110.1	C338 F339 A342 F458 E493 F609	C338-T617 PolarHBondContact O-OG1 2.99Å; F339-T617 HydrophobicContact CD1-CG2 3.89Å; F339-T617 HydrophobicContact CD2-CG2 4.26Å; F339-T617 HydrophobicContact CE1-CG2 3.93Å; F339-T617 HydrophobicContact CE2-CG2 4.31Å; F339-T617 HydrophobicContact CG-CG2 4.06Å; F339-T617 HydrophobicContact CZ-CG2 4.14Å; A342-T617 WeakPolarHBondContact CB-OG1 3.46Å; F458-T617 HydrophobicContact CE1-CG2 4.09Å; F458-T617 HydrophobicContact CZ-CG2 4.11Å; E493-T617 CarbonylContact O-C 3.56Å; E493-T617 VanDerWaalsContact O-CA 3.28Å; E493-T617 WeakPolarHBondContact O-CA 3.17Å; E493-T617 WeakPolarHBondContact O-CB 3.32Å; F609-T617 WeakPolarHBondContact CB-OG1 3.4Å; F609-T617 WeakPolarHBondContact CD2-OG1 3.43Å; F609-T617 PolarHBondContact N-O 3.14Å; F609-T617 PolarHBondContact O-N 3.08Å
618	V	97.1	Very high	96.2	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	144.7	174.4	-63.2	0	0	0	0	109.8	V492 E493 E495 F561 V606 L607 R608	V492-V618 VanDerWaalsContact CA-O 3.31Å; V492-V618 WeakPolarHBondContact CA-O 3.32Å; E493-V618 HydrophobicContact CB-CG2 4.48Å; E493-V618 PolarHBondContact N-O 2.98Å; E493-V618 VanDerWaalsContact N-O 3.16Å; E493-V618 PolarHBondContact O-N 3.39Å; E495-V618 HydrophobicContact CB-CG1 4.2Å; E495-V618 HydrophobicContact CG-CG1 4.42Å; E495-V618 WeakPolarHBondContact OE2-CG1 3.45Å; F561-V618 HydrophobicContact CB-CG1 4.25Å; F561-V618 HydrophobicContact CB-CG2 4.24Å; F561-V618 HydrophobicContact CD2-CB 4.38Å; F561-V618 HydrophobicContact CD2-CG2 3.94Å; F561-V618 HydrophobicContact CG-CG2 4.47Å; V606-V618 HydrophobicContact CG1-CB 4.34Å; L607-V618 CarbonylContact O-C 3.45Å; L607-V618 WeakPolarHBondContact O-CA 3.47Å; R608-V618 HydrophobicContact CG-CG1 4.13Å; R608-V618 VanDerWaalsContact NH1-CG1 3.32Å
619	A	97.1	Very high	96.3	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.008	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	134.1	168	0	0	0	0	0	109.8	A345 L491 V492 L578 V606 L607 F609	A345-A619 HydrophobicContact CB-CB 4.1Å; L491-A619 WeakPolarHBondContact O-CA 3.28Å; V492-A619 HydrophobicContact CG2-CB 4.24Å; L578-A619 HydrophobicContact CD1-CB 4.22Å; L578-A619 VanDerWaalsContact CD1-O 3.29Å; L578-A619 WeakPolarHBondContact CD1-O 3.43Å; V606-A619 WeakPolarHBondContact CG1-O 3.25Å; L607-A619 PolarHBondContact N-O 3.19Å; L607-A619 PolarHBondContact O-N 3.27Å; F609-A619 HydrophobicContact CE2-CB 3.76Å; F609-A619 HydrophobicContact CZ-CB 4.39Å
620	S	97.1	Very high	96.4	Very high	4 Å²	4	31.4 Å²	31.4	3%	0.028	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	159.2	178	58.2	0	0	0	0	111.2	T490 L491 F561 W622	T490-S620 WeakPolarHBondContact CA-O 3.38Å; L491-S620 PolarHBondContact N-O 3.33Å; L491-S620 PolarHBondContact O-N 2.9Å; F561-S620 WeakPolarHBondContact CE2-OG 3.11Å; S620-W622 PolarHBondContact OG-NE1 2.95Å
621	A	97.5	Very high	96.5	Very high	3 Å²	3	33.7 Å²	33.7	3%	0.025	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	152.3	175.8	0	0	0	0	0	111.3	A349 V488 V489 T490 V576 L578	A349-A621 HydrophobicContact CB-CB 4.42Å; V488-A621 HydrophobicContact CG2-CB 3.99Å; V489-A621 CarbonylContact O-C 3.46Å; V489-A621 WeakPolarHBondContact O-CA 3.45Å; T490-A621 HydrophobicContact CG2-CB 4.43Å; V576-A621 HydrophobicContact CB-CB 4.04Å; V576-A621 PolarHBondContact N-O 3.31Å; L578-A621 HydrophobicContact CD2-CB 3.62Å; L578-A621 HydrophobicContact CG-CB 4.42Å
622	W	97.9	Very high	96.5	Very high	4 Å²	4	36.2 Å²	36.2	2%	0.015	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	154.6	-170	-51.9	84.4	0	0	0	111.8	V488 V489 F561 R565 F568 F573 R574 P575 S620	V488-W622 CarbonylContact C-O 3.56Å; V488-W622 WeakPolarHBondContact CA-O 3.44Å; V489-W622 HydrophobicContact CB-CB 4.29Å; V489-W622 PolarHBondContact N-O 2.87Å; V489-W622 PolarHBondContact O-N 2.96Å; F561-W622 AromaticContact CE2-CZ2 3.92Å; F561-W622 HydrophobicContact CE2-CZ2 3.92Å; F561-W622 HydrophobicContact CZ-CH2 4.16Å; F561-W622 AromaticContact CZ-CZ2 3.76Å; F561-W622 HydrophobicContact CZ-CZ2 3.76Å; R565-W622 HydrophobicContact CB-CH2 3.95Å; R565-W622 HydrophobicContact CG-CH2 4.07Å; F568-W622 HydrophobicContact CB-CD2 3.92Å; F568-W622 HydrophobicContact CB-CE3 3.67Å; F568-W622 HydrophobicContact CB-CH2 4Å; F568-W622 HydrophobicContact CB-CZ2 4.18Å; F568-W622 HydrophobicContact CB-CZ3 3.71Å; F568-W622 HydrophobicContact CD1-CB 3.89Å; F568-W622 AromaticContact CD1-CD1 3.6Å; F568-W622 AromaticContact CD1-CD2 3.4Å; F568-W622 HydrophobicContact CD1-CD2 3.4Å; F568-W622 AromaticContact CD1-CE2 3.76Å; F568-W622 AromaticContact CD1-CE3 3.94Å; F568-W622 HydrophobicContact CD1-CE3 3.94Å; F568-W622 AromaticContact CD1-CG 3.34Å; F568-W622 HydrophobicContact CD1-CG 3.34Å; F568-W622 AromaticContact CD1-NE1 3.84Å; F568-W622 HydrophobicContact CE1-CB 4.1Å; F568-W622 AromaticContact CE1-CD1 3.41Å; F568-W622 VanDerWaalsContact CE1-CD1 3.41Å; F568-W622 HydrophobicContact CE1-CD2 4.06Å; F568-W622 AromaticContact CE1-CG 3.59Å; F568-W622 HydrophobicContact CE1-CG 3.59Å; F568-W622 AromaticContact CE1-NE1 3.82Å; F568-W622 AromaticContact CG-CD2 3.8Å; F568-W622 HydrophobicContact CG-CD2 3.8Å; F568-W622 AromaticContact CG-CE2 3.84Å; F568-W622 HydrophobicContact CG-CE3 4.09Å; F568-W622 HydrophobicContact CG-CG 4.21Å; F568-W622 HydrophobicContact CG-CZ2 4.22Å; F568-W622 HydrophobicContact CG-CZ3 4.44Å; F573-W622 HydrophobicContact CB-CB 4.12Å; F573-W622 HydrophobicContact CB-CE3 4.07Å; F573-W622 HydrophobicContact CD1-CB 4.15Å; F573-W622 HydrophobicContact CG-CB 4.33Å; R574-W622 CarbonylContact O-C 3.51Å; R574-W622 VanDerWaalsContact O-CA 3.3Å; R574-W622 WeakPolarHBondContact O-CA 3.33Å; P575-W622 HydrophobicContact CB-CE3 4.14Å; P575-W622 HydrophobicContact CB-CH2 4.39Å; P575-W622 HydrophobicContact CB-CZ3 3.91Å; P575-W622 HydrophobicContact CG-CZ3 4.43Å; S620-W622 PolarHBondContact OG-NE1 2.95Å
623	R	94.7	Very high	96.7	Very high	163 Å²	163	28.1 Å²	28.1	62%	0.615	15%	0.147	S	C	*	.			trans	-137.3	0	174.1	65.5	-178.3	178.1	-178.7	-1.1	112.6	R482 F573 R574 V576	R482-R623 VanDerWaalsContact NH1-C 3.26Å; R482-R623 PolarHBondContact NH1-O 3.07Å; R482-R623 PolarHBondContact NH1-OXT 2.89Å; F573-R623 CarbonylContact C-O 3.58Å; F573-R623 WeakPolarHBondContact CA-O 3.3Å; R574-R623 HydrophobicContact CB-CG 4.31Å; R574-R623 PolarHBondContact N-O 3.31Å; R574-R623 PolarHBondContact O-N 3.48Å; V576-R623 HydrophobicContact CG2-CB 4.05Å; V576-R623 HydrophobicContact CG2-CG 3.81Å

Retrieved 623 of 623 residues in 219.8 ms (Link to these results)

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