A0A087XZ71_POEFO Loading...

Kelch-like family member 5

AlphaFold DB , UniProt , Accession A0A087XZ71, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 783 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	29.9	Very low	26.6	Very low	243 Å²	243	134.6 Å²	134.6	100%	1.197	85%	0.852	S	S	*	*				0	127.9	0	-65.4	160.6	168.1	0	0	107
2	S	28.3	Very low	26.7	Very low	117 Å²	117	139.6 Å²	139.6	82%	0.818	85%	0.851	S	S	*	*			cis	-160.3	151.7	-6.6	36.8	0	0	0	0	111.1
3	N	26.4	Very low	26.9	Very low	154 Å²	154	143 Å²	143	82%	0.824	85%	0.852	S	S	*	*			trans	-31.5	165.1	162.5	-84.2	21.1	0	0	0	117.5
4	S	28.3	Very low	27.6	Very low	109 Å²	109	146.4 Å²	146.4	76%	0.762	85%	0.851	S	S	*	*			cis	171.7	160.2	-18.9	57.5	0	0	0	0	108.5
5	G	24.9	Very low	28.2	Very low	78 Å²	78	141.9 Å²	141.9	80%	0.804	82%	0.822	S	S	*	*			trans	134.8	91.4	151.3	0	0	0	0	0	117.1
6	S	25.7	Very low	29.1	Very low	121 Å²	121	138.3 Å²	138.3	85%	0.846	80%	0.803	S	S	*	*			trans	-91.5	104.7	163	53.6	0	0	0	0	110	S8	S6-S8 PolarHBondContact O-N 3.35Å
7	G	24.5	Very low	29.8	Very low	82 Å²	82	137.4 Å²	137.4	85%	0.845	79%	0.787	S	S	*	*			trans	-79.4	106.9	179.4	0	0	0	0	0	112.6
8	S	26.4	Very low	30.3	Very low	113 Å²	113	136.8 Å²	136.8	79%	0.79	78%	0.776	S	S	*	*			trans	-77.9	124.5	168.3	46.9	0	0	0	0	110.4	S6 S10	S6-S8 PolarHBondContact O-N 3.35Å; S8-S10 PolarHBondContact O-N 3.42Å; S8-S10 VanDerWaalsContact O-N 3.08Å
9	S	25.5	Very low	31.1	Very low	123 Å²	123	134.3 Å²	134.3	86%	0.86	76%	0.759	S	S	*	*			trans	-73.6	98.7	175.1	179.4	0	0	0	0	110.1	R11	S9-R11 PolarHBondContact O-N 3.08Å
10	S	26	Very low	31.5	Very low	105 Å²	105	129.7 Å²	129.7	73%	0.734	73%	0.732	S	S	*	*			trans	-63.7	129.3	171.8	46.1	0	0	0	0	110.7	S8 K12	S8-S10 PolarHBondContact O-N 3.42Å; S8-S10 VanDerWaalsContact O-N 3.08Å; S10-K12 PolarHBondContact O-N 3.43Å
11	R	27.2	Very low	32.1	Very low	236 Å²	236	130.9 Å²	130.9	89%	0.891	73%	0.725	S	S	*	*			trans	-62.5	130.7	163.5	-75.3	176.8	169.8	168.8	-5	107.5	S9 E13	S9-R11 PolarHBondContact O-N 3.08Å; R11-E13 PolarHBondContact O-N 3.19Å
12	K	27.8	Very low	32.4	Very low	194 Å²	194	124.6 Å²	124.6	84%	0.843	70%	0.696	S	S	*	*			trans	-73.7	103.6	165.1	-69.8	-176.5	177.7	-177.8	0	107.8	S10	S10-K12 PolarHBondContact O-N 3.43Å
13	E	29.1	Very low	33.1	Very low	184 Å²	184	124.5 Å²	124.5	86%	0.86	68%	0.677	S	S	*	*			trans	-63.4	135.9	162.9	-72.1	179.7	120.6	0	0	108.9	R11 D15	R11-E13 PolarHBondContact O-N 3.19Å; E13-D15 PolarHBondContact O-N 2.68Å
14	F	35.8	Very low	33.9	Very low	190 Å²	190	123.4 Å²	123.4	83%	0.833	66%	0.662	S	S	*	*			trans	-79	104.2	176.8	-90	-116	0	0	0	108.5	V16	F14-V16 PolarHBondContact O-N 2.97Å
15	D	36.9	Very low	34.5	Very low	79 Å²	79	129.2 Å²	129.2	42%	0.422	67%	0.667	S	S	.	*			trans	-73.7	93.4	177.5	-176.2	23.5	0	0	0	111.5	E13 K17 Q18	E13-D15 PolarHBondContact O-N 2.68Å; D15-K17 PolarHBondContact O-N 3.39Å; D15-K17 VanDerWaalsContact O-N 3.13Å; D15-K17 WeakPolarHBondContact OD1-CB 3.26Å; D15-K17 WeakPolarHBondContact OD1-CG 3.35Å; D15-K17 PolarHBondContact OD1-N 3.28Å; D15-Q18 PolarHBondContact O-N 2.9Å
16	V	42.6	Very low	34.9	Very low	85 Å²	85	135.6 Å²	135.6	52%	0.515	67%	0.667	S	S	.	*	H	α-helix	trans	-53.5	-30.1	173.3	-179.9	0	0	0	0	111.5	F14 Q18 I19 L20	F14-V16 PolarHBondContact O-N 2.97Å; V16-Q18 VanDerWaalsContact C-N 3.27Å; V16-Q18 PolarHBondContact O-N 3.08Å; V16-I19 PolarHBondContact O-N 3.13Å; V16-L20 HydrophobicContact CG1-CD1 3.99Å; V16-L20 PolarHBondContact O-N 2.58Å
17	K	40.7	Very low	35.8	Very low	123 Å²	123	137.3 Å²	137.3	54%	0.535	66%	0.659	S	S	.	*	H	α-helix	trans	-66.2	-26.7	-179.9	-52.7	173.8	179.9	178.6	0	112.3	D15 R21	D15-K17 PolarHBondContact O-N 3.39Å; D15-K17 VanDerWaalsContact O-N 3.13Å; D15-K17 WeakPolarHBondContact OD1-CB 3.26Å; D15-K17 WeakPolarHBondContact OD1-CG 3.35Å; D15-K17 PolarHBondContact OD1-N 3.28Å; K17-R21 VanDerWaalsContact O-CB 3.24Å; K17-R21 WeakPolarHBondContact O-CB 3.34Å; K17-R21 WeakPolarHBondContact O-CD 3.47Å; K17-R21 WeakPolarHBondContact O-CG 3.14Å; K17-R21 PolarHBondContact O-N 3.41Å
18	Q	39	Very low	36.2	Very low	126 Å²	126	136.3 Å²	136.3	59%	0.589	65%	0.649	S	S	*	*	H	α-helix	trans	-71.4	-41.3	174.8	-89.7	-167.2	-14.6	0	0	112.6	D15 V16 I22	D15-Q18 PolarHBondContact O-N 2.9Å; V16-Q18 VanDerWaalsContact C-N 3.27Å; V16-Q18 PolarHBondContact O-N 3.08Å; Q18-I22 WeakPolarHBondContact O-CB 3.47Å; Q18-I22 WeakPolarHBondContact O-CD1 3.37Å; Q18-I22 WeakPolarHBondContact O-CG1 3.17Å; Q18-I22 PolarHBondContact O-N 3.04Å; Q18-I22 VanDerWaalsContact O-N 3.08Å
19	I	45.9	Very low	36.5	Very low	89 Å²	89	139 Å²	139	46%	0.456	65%	0.649	S	S	.	*	H	α-helix	trans	-67.2	-43.3	-175.7	-64.1	178.6	0	0	0	110.8	V16 R23 V388	V16-I19 PolarHBondContact O-N 3.13Å; I19-R23 PolarHBondContact O-N 3.36Å; I19-V388 HydrophobicContact CD1-CG1 4.43Å
20	L	39.5	Very low	36.8	Very low	42 Å²	42	139.3 Å²	139.3	22%	0.22	65%	0.648	C	S	.	*	H	α-helix	trans	-64.9	-53.8	177.2	-65.5	168.8	0	0	0	111	V16 I22 R23 W24 E319	V16-L20 HydrophobicContact CG1-CD1 3.99Å; V16-L20 PolarHBondContact O-N 2.58Å; L20-I22 VanDerWaalsContact C-N 3.29Å; L20-I22 PolarHBondContact O-N 3.38Å; L20-R23 PolarHBondContact O-N 3.26Å; L20-W24 WeakPolarHBondContact O-CB 3.48Å; L20-W24 PolarHBondContact O-N 3.43Å; L20-E319 WeakPolarHBondContact CD1-OE1 3.48Å
21	R	42.7	Very low	37.1	Very low	155 Å²	155	138.8 Å²	138.8	59%	0.585	65%	0.65	S	S	*	*	H	α-helix	trans	-58.5	-33.3	-179.3	-74.8	173.9	168.2	176.9	-8.7	114.5	K17	K17-R21 VanDerWaalsContact O-CB 3.24Å; K17-R21 WeakPolarHBondContact O-CB 3.34Å; K17-R21 WeakPolarHBondContact O-CD 3.47Å; K17-R21 WeakPolarHBondContact O-CG 3.14Å; K17-R21 PolarHBondContact O-N 3.41Å
22	I	37	Very low	37.5	Very low	112 Å²	112	133.7 Å²	133.7	57%	0.574	64%	0.644	S	S	*	*	H	α-helix	trans	-74.1	-38.8	-179.8	-72.3	169.7	0	0	0	111.7	Q18 L20	Q18-I22 WeakPolarHBondContact O-CB 3.47Å; Q18-I22 WeakPolarHBondContact O-CD1 3.37Å; Q18-I22 WeakPolarHBondContact O-CG1 3.17Å; Q18-I22 PolarHBondContact O-N 3.04Å; Q18-I22 VanDerWaalsContact O-N 3.08Å; L20-I22 VanDerWaalsContact C-N 3.29Å; L20-I22 PolarHBondContact O-N 3.38Å
23	R	43.1	Very low	37.6	Very low	115 Å²	115	129.6 Å²	129.6	43%	0.434	64%	0.638	S	S	.	*	H	α-helix	trans	-85.7	-31.7	-175.6	-73.1	-173.5	168.9	-122.2	-3.4	113.8	I19 L20 R25 W26 Q384	I19-R23 PolarHBondContact O-N 3.36Å; L20-R23 PolarHBondContact O-N 3.26Å; R23-R25 PolarHBondContact O-N 3.5Å; R23-W26 PolarHBondContact O-N 3.02Å; R23-W26 VanDerWaalsContact O-N 3.11Å; R23-Q384 VanDerWaalsContact NH1-CB 3.33Å
24	W	44	Very low	38	Very low	131 Å²	131	125.9 Å²	125.9	50%	0.496	63%	0.63	S	S	.	*	H	α-helix	trans	-61.8	-32.3	-175.8	-147	80.8	0	0	0	113.1	L20 W26 E315 D316	L20-W24 WeakPolarHBondContact O-CB 3.48Å; L20-W24 PolarHBondContact O-N 3.43Å; W24-W26 VanDerWaalsContact C-N 3.27Å; W24-W26 PolarHBondContact O-N 3.03Å; W24-E315 HydrophobicContact CH2-CB 3.35Å; W24-E315 HydrophobicContact CH2-CG 4.35Å; W24-E315 VanDerWaalsContact CH2-OE2 3.24Å; W24-E315 WeakPolarHBondContact CH2-OE2 3.31Å; W24-E315 HydrophobicContact CZ2-CB 3.35Å; W24-E315 HydrophobicContact CZ2-CG 4.25Å; W24-E315 VanDerWaalsContact CZ2-OE2 3.22Å; W24-E315 WeakPolarHBondContact CZ2-OE2 3.47Å; W24-E315 HydrophobicContact CZ3-CB 4.3Å; W24-D316 HydrophobicContact CZ3-CB 4.24Å
25	R	39.8	Very low	38	Very low	230 Å²	230	122.3 Å²	122.3	87%	0.868	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	-11.2	176.2	-76.2	-172.8	171	-168.6	-2.6	116.2	R23	R23-R25 PolarHBondContact O-N 3.5Å
26	W	33.3	Very low	37.8	Very low	212 Å²	212	124.8 Å²	124.8	80%	0.803	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.4	-13.8	-171.8	-82.6	71.9	0	0	0	115.2	R23 W24	R23-W26 PolarHBondContact O-N 3.02Å; R23-W26 VanDerWaalsContact O-N 3.11Å; W24-W26 VanDerWaalsContact C-N 3.27Å; W24-W26 PolarHBondContact O-N 3.03Å
27	F	44	Very low	37.5	Very low	157 Å²	157	125.8 Å²	125.8	69%	0.689	66%	0.657	S	S	*	*	S	Bend	trans	-123.9	6.7	-169.9	-64.9	-74.6	0	0	0	115.2	H29	F27-H29 PolarHBondContact O-N 2.85Å; F27-H29 VanDerWaalsContact O-N 3.07Å
28	G	33	Very low	37	Very low	61 Å²	61	125.3 Å²	125.3	63%	0.629	67%	0.666	S	S	*	*	S	Bend	trans	-74.6	17.7	177	0	0	0	0	0	116
29	H	32.8	Very low	36.7	Very low	171 Å²	171	124.4 Å²	124.4	79%	0.792	67%	0.671	S	S	*	*	S	Bend	trans	-135.3	147.6	-179.3	-80.3	-0.3	0	0	0	110.8	F27 A31	F27-H29 PolarHBondContact O-N 2.85Å; F27-H29 VanDerWaalsContact O-N 3.07Å; H29-A31 PolarHBondContact O-N 3.39Å
30	P	33.4	Very low	36.3	Very low	129 Å²	129	129.3 Å²	129.3	84%	0.838	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-65.2	125.2	-171.7	26	-34.8	0	0	0	111.9	V32	P30-V32 PolarHBondContact O-N 3.31Å
31	A	32.2	Very low	36	Very low	94 Å²	94	129.8 Å²	129.8	78%	0.777	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-71	125.5	-178.6	0	0	0	0	0	111.9	H29	H29-A31 PolarHBondContact O-N 3.39Å
32	V	35.1	Very low	35.4	Very low	128 Å²	128	128.2 Å²	128.2	78%	0.776	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-56.7	136.3	156.8	176.2	0	0	0	0	107.7	P30	P30-V32 PolarHBondContact O-N 3.31Å
33	P	30.4	Very low	35.4	Very low	108 Å²	108	133.4 Å²	133.4	70%	0.701	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-59	135.5	-176.8	23	-34.4	0	0	0	111.4
34	P	36.5	Very low	35.1	Very low	107 Å²	107	135.6 Å²	135.6	70%	0.695	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-66.9	155	175.6	29.6	-35.1	0	0	0	110.7
35	P	35.5	Very low	34.8	Very low	114 Å²	114	133.7 Å²	133.7	74%	0.74	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-59.4	148.3	165.8	28.7	-34.8	0	0	0	109.7	S37	P35-S37 PolarHBondContact O-N 2.91Å
36	P	33.7	Very low	34.2	Very low	131 Å²	131	127.4 Å²	127.4	85%	0.851	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-61.1	124.2	-175.7	24.7	-34	0	0	0	111
37	S	35	Very low	34.1	Very low	106 Å²	106	128.9 Å²	128.9	74%	0.741	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-65.6	146.8	168.7	39.8	0	0	0	0	110.6	P35	P35-S37 PolarHBondContact O-N 2.91Å
38	P	31.3	Very low	33.4	Very low	113 Å²	113	133.4 Å²	133.4	73%	0.734	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-64.8	152.7	173.6	29	-35	0	0	0	110.6
39	P	32.8	Very low	33.3	Very low	108 Å²	108	137.7 Å²	137.7	70%	0.701	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-63.5	148.8	177.9	27.7	-35	0	0	0	111.8	G41	P39-G41 PolarHBondContact O-N 3.26Å
40	L	38	Very low	33	Very low	191 Å²	191	133.7 Å²	133.7	100%	1	78%	0.784	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	74.5	171.5	-75.8	162.9	0	0	0	110.5
41	G	31.7	Very low	32.6	Very low	53 Å²	53	131.3 Å²	131.3	55%	0.546	78%	0.783	S	S	.	*	T	Hydrogen-bonded Turn	trans	-137.2	-25.3	179.3	0	0	0	0	0	115.2	P39 Y43	P39-G41 PolarHBondContact O-N 3.26Å; G41-Y43 PolarHBondContact O-N 2.85Å
42	D	31.2	Very low	32.4	Very low	122 Å²	122	133.1 Å²	133.1	65%	0.652	79%	0.79	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.2	64.8	-170.8	-73.6	-51.3	0	0	0	114.3	S45	D42-S45 VanDerWaalsContact OD1-CB 3.26Å; D42-S45 WeakPolarHBondContact OD1-CB 3.34Å; D42-S45 PolarHBondContact OD1-OG 3.13Å
43	Y	35.7	Very low	32.1	Very low	221 Å²	221	131.5 Å²	131.5	87%	0.867	79%	0.79	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.3	-7.4	160.1	-101.8	-85.1	0	0	0	114	G41	G41-Y43 PolarHBondContact O-N 2.85Å
44	F	38.3	Very low	32.1	Very low	160 Å²	160	130.4 Å²	130.4	70%	0.702	79%	0.79	S	S	*	*	S	Bend	trans	-124.6	10.5	-176.4	-75.3	-77.1	0	0	0	115.2	D449	F44-D449 HydrophobicContact CZ-CB 4.32Å
45	S	37	Very low	31.7	Very low	91 Å²	91	133.2 Å²	133.2	64%	0.636	80%	0.799	S	S	*	*			trans	-107.1	42	-172.1	-55.2	0	0	0	0	115.1	D42	D42-S45 VanDerWaalsContact OD1-CB 3.26Å; D42-S45 WeakPolarHBondContact OD1-CB 3.34Å; D42-S45 PolarHBondContact OD1-OG 3.13Å
46	A	27.3	Very low	31.2	Very low	98 Å²	98	131.2 Å²	131.2	81%	0.81	80%	0.799	S	S	*	*			trans	-133.2	40.9	-168.3	0	0	0	0	0	116.9
47	R	31.3	Very low	31.6	Very low	243 Å²	243	131.3 Å²	131.3	92%	0.917	80%	0.8	S	S	*	*			trans	-158.1	85.4	168.8	-130.7	177.5	-171.3	-169.8	2.6	116
48	R	30.1	Very low	31.2	Very low	252 Å²	252	131.3 Å²	131.3	95%	0.951	80%	0.8	S	S	*	*			trans	-170.7	60.5	157.7	-110.3	169.3	-154.1	-147.5	6.8	115.2
49	T	29.3	Very low	31.1	Very low	151 Å²	151	133.9 Å²	133.9	93%	0.926	81%	0.806	S	S	*	*			trans	-138.4	146.8	157.6	43.7	0	0	0	0	109.6
50	G	26.2	Very low	31	Very low	87 Å²	87	133.8 Å²	133.8	90%	0.897	81%	0.808	S	S	*	*			trans	112.2	95.5	-167.3	0	0	0	0	0	110.8
51	G	26.3	Very low	30.4	Very low	80 Å²	80	128.2 Å²	128.2	83%	0.825	80%	0.797	S	S	*	*			trans	-130.4	178.4	-177.6	0	0	0	0	0	112.6
52	S	27.8	Very low	30.2	Very low	131 Å²	131	131.1 Å²	131.1	92%	0.916	81%	0.807	S	S	*	*			trans	-150.5	167.7	161.2	-163.3	0	0	0	0	109.2
53	A	28.7	Very low	30.2	Very low	95 Å²	95	129.8 Å²	129.8	79%	0.785	81%	0.807	S	S	*	*			trans	-92.1	154.5	-166.7	0	0	0	0	0	114.4
54	A	30	Very low	29.9	Very low	85 Å²	85	126.1 Å²	126.1	70%	0.702	80%	0.803	S	S	*	*				-170	137	127.1	0	0	0	0	0	111.3
55	D	29.1	Very low	29.4	Very low	166 Å²	166	126 Å²	126	89%	0.888	81%	0.809	S	S	*	*			trans	48.2	146.9	148.4	-53.1	-29.4	0	0	0	123.8
56	G	25.2	Very low	29.1	Very low	71 Å²	71	131 Å²	131	73%	0.732	82%	0.819	S	S	*	*			trans	-102.6	-152.1	167	0	0	0	0	0	112.1
57	P	40.4	Very low	29.1	Very low	133 Å²	133	132.2 Å²	132.2	86%	0.864	82%	0.821	S	S	*	*			cis	-126	-174.2	17.1	42	-27.2	0	0	0	115.9
58	S	27.2	Very low	29	Very low	107 Å²	107	126.1 Å²	126.1	75%	0.748	82%	0.816	S	S	*	*			trans	-65.7	162.9	-175.6	55.9	0	0	0	0	118.4
59	I	29.6	Very low	28.8	Very low	166 Å²	166	117.5 Å²	117.5	85%	0.851	81%	0.805	S	S	*	*			trans	-148.6	159.5	137.1	-110.2	155.5	0	0	0	110.9
60	S	30.4	Very low	28.7	Very low	107 Å²	107	116.8 Å²	116.8	75%	0.748	80%	0.801	S	S	*	*			trans	-57.2	161.4	-176.6	51.1	0	0	0	0	115.9
61	G	26.6	Very low	28.9	Very low	74 Å²	74	120 Å²	120	76%	0.763	80%	0.797	S	S	*	*			cis	166.9	-167.1	9.2	0	0	0	0	0	110.6
62	C	26.9	Very low	29.7	Very low	114 Å²	114	122.2 Å²	122.2	77%	0.77	80%	0.797	S	S	*	*			cis	-159.5	130.7	-6.1	-96.6	0	0	0	0	112.4
63	S	29.8	Very low	29.7	Very low	93 Å²	93	121 Å²	121	65%	0.65	79%	0.789	S	S	*	*			trans	42.5	119.4	141.9	64	0	0	0	0	125.5
64	N	29.9	Very low	29.9	Very low	145 Å²	145	123.6 Å²	123.6	78%	0.775	79%	0.794	S	S	*	*				66.6	158.7	122.1	-54	-20.4	0	0	0	121.3
65	L	27.6	Very low	29.7	Very low	158 Å²	158	123 Å²	123	83%	0.827	80%	0.796	S	S	*	*			cis	-124.9	173.2	-1.2	-72.4	82.2	0	0	0	109.5
66	K	30.5	Very low	29.6	Very low	196 Å²	196	120.9 Å²	120.9	85%	0.852	79%	0.793	S	S	*	*			cis	82.3	89.8	7.6	-82.4	-169.5	170.2	-175.2	0	121.2
67	S	28.1	Very low	29.7	Very low	122 Å²	122	126.4 Å²	126.4	85%	0.853	80%	0.799	S	S	*	*			trans	-162.7	152.9	148	59.2	0	0	0	0	115.8
68	S	28.7	Very low	29.1	Very low	116 Å²	116	125.5 Å²	125.5	81%	0.811	80%	0.796	S	S	*	*			trans	-42	164.5	170.8	47.7	0	0	0	0	118.6
69	G	26.9	Very low	29	Very low	70 Å²	70	124.2 Å²	124.2	72%	0.722	80%	0.8	S	S	*	*			cis	109.5	104.6	0.2	0	0	0	0	0	115.6
70	V	27.8	Very low	28.9	Very low	137 Å²	137	124.7 Å²	124.7	83%	0.83	80%	0.803	S	S	*	*			trans	-151.2	143.3	173.3	171.8	0	0	0	0	111
71	N	29.8	Very low	28.7	Very low	155 Å²	155	126.5 Å²	126.5	83%	0.829	81%	0.809	S	S	*	*			trans	-112.7	153.1	162.4	-94	-8.9	0	0	0	109.6
72	P	43.2	Very low	28.7	Very low	126 Å²	126	126.9 Å²	126.9	82%	0.818	81%	0.805	S	S	*	*				-136.5	-174.1	124.1	38.4	-27.1	0	0	0	113.2
73	S	28.3	Very low	28.8	Very low	106 Å²	106	127.6 Å²	127.6	74%	0.741	81%	0.811	S	S	*	*			trans	-142.1	173	-161.6	55	0	0	0	0	114.5
74	V	32.3	Very low	28.5	Very low	149 Å²	149	126.5 Å²	126.5	90%	0.903	82%	0.815	S	S	*	*			trans	76.2	136.3	168.5	-169.4	0	0	0	0	116.5
75	G	25.2	Very low	28.5	Very low	72 Å²	72	124.9 Å²	124.9	74%	0.742	82%	0.815	S	S	*	*			trans	159.5	82.4	168.4	0	0	0	0	0	114.8
76	C	26.4	Very low	28.5	Very low	121 Å²	121	122.6 Å²	122.6	82%	0.818	82%	0.819	S	S	*	*			trans	-81.8	143.6	165.6	-61.6	0	0	0	0	110.1
77	H	27.4	Very low	28.3	Very low	188 Å²	188	117.3 Å²	117.3	87%	0.87	82%	0.82	S	S	*	*			trans	-167.7	157.2	132.8	-107.8	-67.9	0	0	0	113.2
78	S	27.9	Very low	28.4	Very low	114 Å²	114	116.5 Å²	116.5	80%	0.797	81%	0.814	S	S	*	*			trans	-83.5	152.6	177	45.2	0	0	0	0	112.8
79	G	25.6	Very low	28.4	Very low	80 Å²	80	118.7 Å²	118.7	83%	0.825	82%	0.817	S	S	*	*			trans	-158.3	104.3	173.3	0	0	0	0	0	113
80	L	27.6	Very low	28.5	Very low	175 Å²	175	123.4 Å²	123.4	92%	0.916	83%	0.825	S	S	*	*			trans	-86.2	132.3	169	-84.2	151.4	0	0	0	109.9
81	V	26.9	Very low	28.4	Very low	146 Å²	146	123.3 Å²	123.3	89%	0.885	83%	0.829	S	S	*	*			trans	-139.9	142.2	155.1	-173.7	0	0	0	0	108.1
82	A	26	Very low	28.3	Very low	82 Å²	82	124.2 Å²	124.2	68%	0.678	83%	0.833	S	S	*	*			trans	-142.1	178.7	-178.9	0	0	0	0	0	111.4
83	S	28.6	Very low	27.6	Very low	128 Å²	128	121.3 Å²	121.3	90%	0.895	83%	0.826	S	S	*	*			trans	80.2	153.7	168.6	81.5	0	0	0	0	118.3
84	G	24.8	Very low	27.7	Very low	70 Å²	70	122.2 Å²	122.2	72%	0.722	83%	0.833	S	S	*	*			trans	105.6	112.3	171.2	0	0	0	0	0	116.2
85	S	28.9	Very low	27.5	Very low	112 Å²	112	118.8 Å²	118.8	78%	0.783	83%	0.828	S	S	*	*			cis	177	132.6	-42.9	48.9	0	0	0	0	110
86	A	27.7	Very low	27.7	Very low	110 Å²	110	127.8 Å²	127.8	91%	0.909	84%	0.839	S	S	*	*			trans	51.5	140	155.1	0	0	0	0	0	121.4
87	G	26.1	Very low	27.8	Very low	85 Å²	85	130.4 Å²	130.4	88%	0.876	84%	0.837	S	S	*	*			trans	-177.9	67.3	175.1	0	0	0	0	0	113.3
88	S	30.7	Very low	27.8	Very low	104 Å²	104	130.7 Å²	130.7	73%	0.727	84%	0.836	S	S	*	*			trans	-97.3	145.9	-177.4	54.8	0	0	0	0	113.2
89	N	28.2	Very low	27.7	Very low	163 Å²	163	129.3 Å²	129.3	87%	0.872	83%	0.831	S	S	*	*			trans	-169	151.1	134.2	-98.5	-22.3	0	0	0	112.9
90	L	29.3	Very low	27.8	Very low	169 Å²	169	132.9 Å²	132.9	89%	0.885	83%	0.832	S	S	*	*			trans	-97.4	160.7	167.3	-63.4	91.1	0	0	0	110.2
91	C	26.3	Very low	28.5	Very low	135 Å²	135	130.7 Å²	130.7	91%	0.912	83%	0.828	S	S	*	*			trans	-155.4	153.2	144	-135.6	0	0	0	0	112.5
92	N	27.6	Very low	28.8	Very low	173 Å²	173	128.8 Å²	128.8	93%	0.925	83%	0.828	S	S	*	*			trans	-92.3	163.4	-176.2	-108.3	-29.8	0	0	0	112.8
93	G	28	Very low	28.8	Very low	65 Å²	65	128.7 Å²	128.7	67%	0.67	84%	0.835	S	S	*	*			trans	-179.6	65.5	174.5	0	0	0	0	0	119.8
94	S	30.4	Very low	28.9	Very low	125 Å²	125	127.6 Å²	127.6	87%	0.874	83%	0.827	S	S	*	*			trans	24.9	124.9	149.2	59.1	0	0	0	0	122
95	G	28.1	Very low	29.2	Very low	78 Å²	78	136.2 Å²	136.2	80%	0.804	84%	0.838	S	S	*	*			trans	-99.3	-171.7	172.6	0	0	0	0	0	116.8
96	R	29.1	Very low	29.1	Very low	260 Å²	260	134.8 Å²	134.8	98%	0.981	84%	0.84	S	S	*	*			trans	-148	173.7	172.2	-100.7	177.6	-174.9	-158.8	-0.1	112.7
97	K	28.9	Very low	29.2	Very low	176 Å²	176	133 Å²	133	77%	0.765	83%	0.832	S	S	*	*			trans	-108.9	174.9	-163.1	-66.1	-178.3	174.2	-176.2	0	114.9
98	F	26.3	Very low	29.9	Very low	194 Å²	194	135.5 Å²	135.5	85%	0.851	83%	0.833	S	S	*	*			trans	82.7	145.4	160.6	-66.3	-70	0	0	0	116.7
99	A	26.9	Very low	29.9	Very low	85 Å²	85	135.5 Å²	135.5	70%	0.702	84%	0.84	S	S	*	*			cis	-154.9	165.8	-4.1	0	0	0	0	0	112.1
100	D	28.2	Very low	29.9	Very low	155 Å²	155	131.4 Å²	131.4	83%	0.829	84%	0.836	S	S	*	*			trans	-65.7	166.2	160.4	-57.4	-76.2	0	0	0	111.8
101	P	41.2	Very low	29.8	Very low	129 Å²	129	127.5 Å²	127.5	84%	0.838	83%	0.828	S	S	*	*				-142.2	154.5	96.7	38.3	-25.9	0	0	0	115.4
102	A	32.5	Very low	29.9	Very low	107 Å²	107	127.4 Å²	127.4	88%	0.884	83%	0.829	S	S	*	*			trans	-89.7	154.8	162.9	0	0	0	0	0	111.3
103	G	28	Very low	29.9	Very low	80 Å²	80	123.1 Å²	123.1	83%	0.825	83%	0.826	S	S	*	*			trans	-174.2	140.4	173.8	0	0	0	0	0	111.7
104	S	29.7	Very low	29.9	Very low	105 Å²	105	124.8 Å²	124.8	73%	0.734	83%	0.833	S	S	*	*			trans	-143.4	158.6	-173.6	83	0	0	0	0	113.6
105	R	31.9	Very low	30	Very low	251 Å²	251	126.1 Å²	126.1	95%	0.947	84%	0.836	S	S	*	*			trans	70	137.6	163.4	-64.5	174.1	169	-168.4	-3.2	117.7
106	G	26.8	Very low	29.9	Very low	81 Å²	81	125.4 Å²	125.4	84%	0.835	83%	0.829	S	S	*	*			trans	166.3	93	170.9	0	0	0	0	0	109.5
107	G	29.3	Very low	29.9	Very low	72 Å²	72	120.5 Å²	120.5	74%	0.742	82%	0.822	S	S	*	*			trans	-96.6	179.5	171	0	0	0	0	0	111.2
108	P	40.6	Very low	29.9	Very low	138 Å²	138	116.5 Å²	116.5	90%	0.896	82%	0.816	S	S	*	*			trans	-126.3	162.8	141.4	37	-29.1	0	0	0	112.1
109	A	30.1	Very low	29.9	Very low	105 Å²	105	113.1 Å²	113.1	87%	0.868	82%	0.815	S	S	*	*			trans	-117.8	158.7	171.4	0	0	0	0	0	110.6
110	G	28.1	Very low	29.9	Very low	76 Å²	76	115.5 Å²	115.5	78%	0.784	82%	0.821	S	S	*	*			trans	106.6	155.6	174.2	0	0	0	0	0	113.7
111	A	28.2	Very low	30	Very low	88 Å²	88	119.3 Å²	119.3	73%	0.727	82%	0.824	S	S	*	*			cis	-179.4	158	-18	0	0	0	0	0	106.6
112	S	28	Very low	29.3	Very low	132 Å²	132	118.7 Å²	118.7	92%	0.923	82%	0.823	S	S	*	*			trans	56.9	146.2	169.2	58.7	0	0	0	0	118.9
113	G	27.1	Very low	29.2	Very low	83 Å²	83	121.5 Å²	121.5	86%	0.856	82%	0.822	S	S	*	*			trans	148.4	69.3	179.6	0	0	0	0	0	113.2
114	A	29.4	Very low	29.2	Very low	101 Å²	101	123.1 Å²	123.1	84%	0.835	82%	0.821	S	S	*	*			trans	-110.5	114.4	-174.4	0	0	0	0	0	113.1
115	T	31.2	Very low	29.2	Very low	153 Å²	153	126.6 Å²	126.6	94%	0.939	83%	0.825	S	S	*	*			trans	-158.6	156.5	156.7	42	0	0	0	0	106.8
116	G	26.2	Very low	29.5	Very low	62 Å²	62	120.5 Å²	120.5	64%	0.639	82%	0.819	S	S	*	*			cis	168.8	150.5	-4.2	0	0	0	0	0	109.3
117	N	29.9	Very low	29.5	Very low	157 Å²	157	123.1 Å²	123.1	84%	0.84	81%	0.809	S	S	*	*			trans	70.2	119.7	-175.2	-53.4	-16.4	0	0	0	114.3
118	S	28.3	Very low	29.3	Very low	93 Å²	93	126.2 Å²	126.2	65%	0.65	82%	0.818	S	S	*	*				77.8	108.1	50.3	82.8	0	0	0	0	112.7
119	C	25.7	Very low	28.6	Very low	123 Å²	123	130.1 Å²	130.1	83%	0.831	82%	0.815	S	S	*	*				79	140.8	101.9	-64.1	0	0	0	0	113.3
120	T	27.8	Very low	28.5	Very low	135 Å²	135	131.1 Å²	131.1	83%	0.828	82%	0.815	S	S	*	*			cis	-142.7	168.9	32.3	48	0	0	0	0	113.8
121	R	30	Very low	28.4	Very low	234 Å²	234	133.2 Å²	133.2	88%	0.883	82%	0.818	S	S	*	*			trans	-77	152.5	158.6	-74.2	175.1	168.2	169.7	-5.5	110.2
122	S	27.2	Very low	28.3	Very low	117 Å²	117	133.8 Å²	133.8	82%	0.818	82%	0.822	S	S	*	*			trans	-142.1	144.1	146.2	57.1	0	0	0	0	110.6
123	L	29.4	Very low	28.2	Very low	166 Å²	166	132.4 Å²	132.4	87%	0.869	82%	0.819	S	S	*	*			trans	-105.2	139.8	171.1	-77.6	119.3	0	0	0	108.9
124	S	28.7	Very low	28.2	Very low	114 Å²	114	133.4 Å²	133.4	80%	0.797	82%	0.819	S	S	*	*			trans	-158.9	125.8	150.3	47.4	0	0	0	0	110.4
125	Q	29.7	Very low	28.1	Very low	177 Å²	177	136.2 Å²	136.2	83%	0.827	82%	0.82	S	S	*	*			trans	-84	165.5	151.6	-73.6	-176.8	-40	0	0	108.2
126	P	37.3	Very low	27.7	Very low	124 Å²	124	133.8 Å²	133.8	81%	0.805	81%	0.809	S	S	*	*				-126.1	158.3	115.4	35.7	-32.3	0	0	0	113.2
127	E	26.6	Very low	27.7	Very low	136 Å²	136	142.2 Å²	142.2	64%	0.636	82%	0.821	S	S	*	*			trans	-73.1	149.7	171.8	-65.7	179.7	95.1	0	0	111.7	R129	E127-R129 IonicContact OE1-NE 2.58Å; E127-R129 IonicContact OE1-NH2 3.13Å
128	C	25.6	Very low	27.6	Very low	136 Å²	136	141.8 Å²	141.8	92%	0.919	82%	0.817	S	S	*	*			trans	-139.3	109.9	154.1	-99.4	0	0	0	0	109.2
129	R	26.2	Very low	27.6	Very low	221 Å²	221	142.4 Å²	142.4	83%	0.834	82%	0.822	S	S	*	*			trans	-96.1	130.7	171.6	-63.5	-178.9	-173.6	-166.3	0.7	110	E127	E127-R129 IonicContact OE1-NE 2.58Å; E127-R129 IonicContact OE1-NH2 3.13Å
130	S	27.7	Very low	28	Very low	125 Å²	125	141.9 Å²	141.9	87%	0.874	82%	0.817	S	S	*	*			trans	-143.3	145.4	148.3	68.2	0	0	0	0	108.6
131	S	25.7	Very low	28.4	Very low	120 Å²	120	140.8 Å²	140.8	84%	0.839	81%	0.812	S	S	*	*			trans	-138.6	133.6	-160.1	55.6	0	0	0	0	112.4
132	A	26.1	Very low	28.6	Very low	100 Å²	100	135.8 Å²	135.8	83%	0.826	81%	0.81	S	S	*	*			trans	-158.3	135.1	155.7	0	0	0	0	0	112.7
133	A	26.5	Very low	28.7	Very low	104 Å²	104	141.7 Å²	141.7	86%	0.86	81%	0.814	S	S	*	*			trans	43.8	81.4	149.1	0	0	0	0	0	119.6
134	A	26.7	Very low	28.8	Very low	104 Å²	104	145.6 Å²	145.6	86%	0.86	82%	0.817	S	S	*	*			trans	-102.7	118.2	148.6	0	0	0	0	0	109.1
135	L	27.1	Very low	28.9	Very low	160 Å²	160	151.9 Å²	151.9	84%	0.838	82%	0.824	S	S	*	*			trans	-78.2	131.8	177	-78.3	166.4	0	0	0	110.8	W137	L135-W137 PolarHBondContact O-N 2.97Å
136	S	24.4	Very low	28.8	Very low	101 Å²	101	148 Å²	148	71%	0.706	82%	0.822	S	S	*	*			trans	-75.3	105.3	-173.9	55.8	0	0	0	0	112.9	I138	S136-I138 PolarHBondContact O-N 2.58Å
137	W	25.1	Very low	28.5	Very low	240 Å²	240	153.1 Å²	153.1	91%	0.909	83%	0.825	S	S	*	*			trans	-84.4	95.9	161.9	-79.3	83.4	0	0	0	109.9	L135 S139	L135-W137 PolarHBondContact O-N 2.97Å; W137-S139 PolarHBondContact O-N 3.28Å
138	I	27	Very low	28.7	Very low	147 Å²	147	152.3 Å²	152.3	75%	0.754	83%	0.832	S	S	*	*			trans	-78.1	103.7	173.3	-63.3	167.3	0	0	0	108.1	S136 P140	S136-I138 PolarHBondContact O-N 2.58Å; I138-P140 WeakPolarHBondContact O-CD 3.25Å
139	S	29.8	Very low	28.9	Very low	107 Å²	107	151.8 Å²	151.8	75%	0.748	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-66.2	120.8	171.9	-62.2	0	0	0	0	110.5	W137	W137-S139 PolarHBondContact O-N 3.28Å
140	P	34.5	Very low	29.2	Very low	112 Å²	112	147.4 Å²	147.4	73%	0.727	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-71.6	144.8	172	30.3	-33.9	0	0	0	110.4	I138	I138-P140 WeakPolarHBondContact O-CD 3.25Å
141	P	34.9	Very low	29.2	Very low	111 Å²	111	148.5 Å²	148.5	72%	0.721	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-67.8	146.3	176.1	28.6	-34.6	0	0	0	111.2	R143	P141-R143 PolarHBondContact O-N 2.96Å; P141-R143 VanDerWaalsContact O-N 3.12Å
142	P	35.5	Very low	29.4	Very low	129 Å²	129	151.7 Å²	151.7	84%	0.838	82%	0.822	S	S	*	*			trans	-66.8	113.7	-177.3	26.4	-34	0	0	0	111.1	R144	P142-R144 PolarHBondContact O-N 3.2Å
143	R	28.3	Very low	29.7	Very low	242 Å²	242	156.1 Å²	156.1	91%	0.913	83%	0.825	S	S	*	*			trans	-66	105	172.2	-74.8	-172	173.9	-148.8	-0	109.9	P141 R145	P141-R143 PolarHBondContact O-N 2.96Å; P141-R143 VanDerWaalsContact O-N 3.12Å; R143-R145 PolarHBondContact O-N 3.35Å; R143-R145 VanDerWaalsContact O-N 3.09Å
144	R	31.7	Very low	30.1	Very low	248 Å²	248	156.7 Å²	156.7	94%	0.936	82%	0.82	S	S	*	*			trans	-54.6	113.5	163.1	-74.1	-176.6	172	-168.1	-2.8	109	P142 A146	P142-R144 PolarHBondContact O-N 3.2Å; R144-A146 PolarHBondContact O-N 3.24Å
145	R	29.7	Very low	30.4	Very low	245 Å²	245	157.8 Å²	157.8	93%	0.925	82%	0.818	S	S	*	*			trans	-74.6	106.8	162.5	-86	-172.7	169.2	-175.1	-2.9	108.1	R143	R143-R145 PolarHBondContact O-N 3.35Å; R143-R145 VanDerWaalsContact O-N 3.09Å
146	A	29.1	Very low	30.6	Very low	95 Å²	95	153.9 Å²	153.9	79%	0.785	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-63.3	140.1	164.4	0	0	0	0	0	109.4	R144	R144-A146 PolarHBondContact O-N 3.24Å
147	R	31.1	Very low	30.8	Very low	233 Å²	233	158.7 Å²	158.7	88%	0.879	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-76	145.3	160.3	-76.1	-177.3	171.5	-178.9	-3.2	108.3
148	P	30	Very low	31.2	Very low	119 Å²	119	151.4 Å²	151.4	77%	0.773	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-65.2	146.3	173.4	28.9	-34.3	0	0	0	110.5
149	V	29.8	Very low	31.5	Very low	125 Å²	125	150.5 Å²	150.5	76%	0.758	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-93.1	129.3	171.7	177.5	0	0	0	0	108.4
150	T	32.1	Very low	31.6	Very low	128 Å²	128	151.9 Å²	151.9	79%	0.785	83%	0.827	S	S	*	*			trans	-129.8	114.6	168.8	50	0	0	0	0	108.3
151	N	29.1	Very low	31.5	Very low	148 Å²	148	152.1 Å²	152.1	79%	0.791	83%	0.828	S	S	*	*			trans	-74.1	126	-178.3	-65.5	-2.8	0	0	0	111.1
152	M	29.9	Very low	31.2	Very low	188 Å²	188	156 Å²	156	93%	0.926	84%	0.837	S	S	*	*			trans	-156.5	142.3	141.2	-83.7	-134.6	176.2	0	0	108.3
153	E	32	Very low	30.8	Very low	193 Å²	193	158 Å²	158	90%	0.902	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-92.6	140	-177.3	-64.2	173.8	116.6	0	0	111.4
154	P	33.9	Very low	30.8	Very low	116 Å²	116	152.2 Å²	152.2	75%	0.753	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-88.3	143.7	160.4	34.4	-30.3	0	0	0	110.9
155	P	34.2	Very low	30.6	Very low	126 Å²	126	147.1 Å²	147.1	82%	0.818	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-69.4	148.7	169.6	30.8	-34.3	0	0	0	111.1
156	G	29.8	Very low	30.4	Very low	79 Å²	79	144 Å²	144	81%	0.814	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-84.6	151.9	-173	0	0	0	0	0	115.2
157	E	30.3	Very low	30.4	Very low	201 Å²	201	144.4 Å²	144.4	94%	0.939	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-84.6	152.9	173.2	-64.9	-177.4	125.3	0	0	112.5
158	A	33.2	Very low	30.2	Very low	88 Å²	88	139.3 Å²	139.3	73%	0.727	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-95	157.6	-179	0	0	0	0	0	112.2
159	P	32.1	Very low	30.3	Very low	128 Å²	128	137.9 Å²	137.9	83%	0.831	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-76.1	142.7	-170.8	30	-35.9	0	0	0	114.2
160	V	32.4	Very low	30.6	Very low	135 Å²	135	138.4 Å²	138.4	82%	0.818	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-84.5	130	174.5	-178.1	0	0	0	0	110.6
161	P	31.8	Very low	30.4	Very low	117 Å²	117	137.2 Å²	137.2	76%	0.76	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-73.5	147.7	174.9	-15.3	30.3	0	0	0	113.2
162	Q	28.9	Very low	30.2	Very low	193 Å²	193	133.5 Å²	133.5	90%	0.902	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-77	144.9	166.4	-66.8	176.6	-35.5	0	0	110.6
163	L	27	Very low	30.2	Very low	172 Å²	172	129.2 Å²	129.2	90%	0.901	83%	0.825	S	S	*	*			trans	-118.3	131.7	169.2	-105.5	166.2	0	0	0	110.4
164	V	28.4	Very low	30.1	Very low	120 Å²	120	128.1 Å²	128.1	73%	0.727	82%	0.82	S	S	*	*			trans	-88.9	145.6	-179.6	178.4	0	0	0	0	109.5	E166	V164-E166 HydrophobicContact CG1-CG 4.34Å
165	V	27.9	Very low	29.8	Very low	141 Å²	141	128.3 Å²	128.3	86%	0.855	81%	0.814	S	S	*	*			trans	-125.1	108.5	167.7	-178.4	0	0	0	0	108.5
166	E	25.3	Very low	29.6	Very low	180 Å²	180	130.3 Å²	130.3	84%	0.841	81%	0.813	S	S	*	*			trans	-88.6	163.4	164.4	-72.5	-166.4	124.3	0	0	110.7	V164	V164-E166 HydrophobicContact CG1-CG 4.34Å
167	A	28.8	Very low	29.5	Very low	103 Å²	103	132.6 Å²	132.6	85%	0.851	81%	0.811	S	S	*	*			trans	-102.1	155.4	-169.8	0	0	0	0	0	113.8
168	S	28.3	Very low	29.4	Very low	125 Å²	125	130.4 Å²	130.4	87%	0.874	80%	0.801	S	S	*	*			trans	-144.8	151.5	158.1	57.7	0	0	0	0	110.4
169	A	31.1	Very low	29.8	Very low	90 Å²	90	131.8 Å²	131.8	74%	0.744	80%	0.802	S	S	*	*			trans	-95.8	177.6	-173.1	0	0	0	0	0	112.6
170	P	35.3	Very low	29.6	Very low	135 Å²	135	129.2 Å²	129.2	88%	0.877	79%	0.792	S	S	*	*				-136.5	178	107.3	39	-29.8	0	0	0	114.4
171	A	27.7	Very low	29.4	Very low	103 Å²	103	128 Å²	128	85%	0.851	80%	0.795	S	S	*	*			trans	-144.1	162.4	178.7	0	0	0	0	0	111.8
172	G	26.8	Very low	29.1	Very low	71 Å²	71	126.2 Å²	126.2	73%	0.732	80%	0.799	S	S	*	*			trans	103	122.3	-169.2	0	0	0	0	0	110.5
173	A	29.4	Very low	29	Very low	98 Å²	98	121.7 Å²	121.7	81%	0.81	79%	0.794	S	S	*	*			cis	66.4	125.4	27.6	0	0	0	0	0	112.2
174	E	29.3	Very low	29.1	Very low	169 Å²	169	118.9 Å²	118.9	79%	0.79	80%	0.796	S	S	*	*			cis	-143.1	-166.7	10.7	-51	180	147.5	0	0	110.1
175	N	28.2	Very low	28.9	Very low	120 Å²	120	116 Å²	116	64%	0.642	79%	0.791	S	S	*	*			cis	-158.2	-168.1	2.5	-143	-39.8	0	0	0	112.4
176	E	29.1	Very low	28.9	Very low	169 Å²	169	115.2 Å²	115.2	79%	0.79	79%	0.787	S	S	*	*			trans	-54.1	170.6	173.1	-74.1	179.7	163.5	0	0	118.1
177	V	29	Very low	29.1	Very low	127 Å²	127	114.9 Å²	114.9	77%	0.77	79%	0.785	S	S	*	*			cis	-158.3	168.6	-2.8	118.2	0	0	0	0	112.5
178	E	28.3	Very low	29.1	Very low	155 Å²	155	117.3 Å²	117.3	72%	0.724	78%	0.779	S	S	*	*			trans	-68.5	166.2	175.4	-144.7	-159.7	-96.4	0	0	114.8	A180	E178-A180 PolarHBondContact OE2-N 3.45Å
179	P	40.7	Very low	29.1	Very low	116 Å²	116	116.8 Å²	116.8	75%	0.753	77%	0.766	S	S	*	*				-154	148.3	91.2	39.3	-20.3	0	0	0	119
180	A	27.9	Very low	29	Very low	75 Å²	75	120 Å²	120	62%	0.62	77%	0.771	S	S	*	*			trans	32.6	112.6	135.4	0	0	0	0	0	123.9	E178	E178-A180 PolarHBondContact OE2-N 3.45Å
181	A	28	Very low	28.7	Very low	108 Å²	108	122.2 Å²	122.2	89%	0.893	77%	0.769	S	S	*	*				60.5	128.2	119.1	0	0	0	0	0	125.4
182	G	25.3	Very low	29.5	Very low	80 Å²	80	122.4 Å²	122.4	83%	0.825	76%	0.761	S	S	*	*			trans	104.5	163.7	147.6	0	0	0	0	0	117.3
183	A	27.7	Very low	29.5	Very low	98 Å²	98	127.4 Å²	127.4	81%	0.81	77%	0.766	S	S	*	*			cis	-176.5	155.3	-27.2	0	0	0	0	0	109.7
184	A	27.7	Very low	29.4	Very low	114 Å²	114	128.4 Å²	128.4	94%	0.942	76%	0.762	S	S	*	*			trans	63.9	161.4	175.6	0	0	0	0	0	117
185	G	25.3	Very low	29.3	Very low	60 Å²	60	127.3 Å²	127.3	62%	0.619	76%	0.762	S	S	*	*			cis	179.3	-169.9	-3.1	0	0	0	0	0	112.5
186	T	28.5	Very low	29.3	Very low	124 Å²	124	126 Å²	126	76%	0.761	76%	0.762	S	S	*	*			trans	66	118.7	174.5	51.1	0	0	0	0	116.7
187	E	29.2	Very low	29.4	Very low	172 Å²	172	123.2 Å²	123.2	80%	0.804	76%	0.761	S	S	*	*				81	140.5	75.6	-73	164.5	-157.8	0	0	113.3
188	E	28.4	Very low	29.5	Very low	155 Å²	155	122.9 Å²	122.9	72%	0.724	76%	0.764	S	S	*	*			cis	-160.4	168.2	-4.7	-135.4	-168.6	-179.8	0	0	111.5
189	N	28.1	Very low	29.4	Very low	113 Å²	113	121.8 Å²	121.8	60%	0.604	77%	0.772	S	S	*	*			trans	44.9	121.3	156.3	-65.9	-42.8	0	0	0	120.7
190	N	28.9	Very low	29	Very low	159 Å²	159	127.5 Å²	127.5	85%	0.85	78%	0.779	S	S	*	*				-166.5	168.4	66	-100.2	-52	0	0	0	114.3
191	H	28.9	Very low	29.1	Very low	181 Å²	181	131.1 Å²	131.1	84%	0.838	79%	0.793	S	S	*	*			trans	-107.8	177.1	177.6	-106.4	-13.1	0	0	0	112.3
192	P	44.5	Very low	29.2	Very low	106 Å²	106	131.4 Å²	131.4	69%	0.688	79%	0.789	S	S	*	*			cis	-120.3	-149.4	-3.5	24.6	1.8	0	0	0	110.3
193	E	27.1	Very low	29.5	Very low	176 Å²	176	135.5 Å²	135.5	82%	0.822	79%	0.792	S	S	*	*			cis	-139.7	-124.7	8	-64.3	-177	75.5	0	0	112.2
194	T	28	Very low	29.8	Very low	120 Å²	120	136.6 Å²	136.6	74%	0.736	79%	0.793	S	S	*	*			trans	-69.1	162.4	-178	49.7	0	0	0	0	114.6
195	D	26.6	Very low	30	Very low	146 Å²	146	136.8 Å²	136.8	78%	0.781	79%	0.788	S	S	*	*			cis	-148.2	-158.6	20.7	-148.8	-44.8	0	0	0	112.3
196	S	28.5	Very low	30.7	Very low	93 Å²	93	138.6 Å²	138.6	65%	0.65	80%	0.797	S	S	*	*			trans	-109.1	163.5	-150.8	55.2	0	0	0	0	117.6
197	S	30.5	Very low	31	Very low	110 Å²	110	139.8 Å²	139.8	77%	0.769	80%	0.804	S	S	*	*			trans	108.3	154.7	144.4	83.8	0	0	0	0	121.4
198	S	30.3	Very low	31.3	Very low	119 Å²	119	140 Å²	140	83%	0.832	81%	0.81	S	S	*	*			trans	83	104.7	169	77.6	0	0	0	0	119.3
199	C	28.2	Very low	31.6	Very low	132 Å²	132	137.4 Å²	137.4	89%	0.892	81%	0.809	S	S	*	*			trans	-103.1	144.8	161.5	46.3	0	0	0	0	110.5
200	R	32.2	Very low	31.8	Very low	237 Å²	237	137.9 Å²	137.9	89%	0.894	82%	0.821	S	S	*	*			trans	-94.2	145.8	-173.6	-59.7	171.8	177.9	167.9	-2.7	112
201	T	29.3	Very low	32.2	Very low	151 Å²	151	135.3 Å²	135.3	93%	0.926	81%	0.814	S	S	*	*			trans	-143.7	144.7	141	32.3	0	0	0	0	109
202	S	30.9	Very low	32.6	Very low	113 Å²	113	133.5 Å²	133.5	79%	0.79	82%	0.816	S	S	*	*			trans	-114.1	132.6	-171.9	-54.6	0	0	0	0	110.9
203	N	30.2	Very low	32.1	Very low	167 Å²	167	133.7 Å²	133.7	89%	0.893	82%	0.82	S	S	*	*			trans	-88.2	133.6	166.3	-85.6	-2.7	0	0	0	110.6
204	S	34	Very low	32.9	Very low	120 Å²	120	134 Å²	134	84%	0.839	82%	0.823	S	S	*	*			trans	-92.9	134.4	162.4	44.9	0	0	0	0	109.9
205	S	33.5	Very low	33.3	Very low	118 Å²	118	137 Å²	137	83%	0.825	83%	0.829	S	S	*	*			trans	-139.3	113.1	172.1	-67.7	0	0	0	0	109
206	A	39.9	Very low	34.2	Very low	99 Å²	99	135.7 Å²	135.7	82%	0.818	83%	0.828	S	S	*	*			trans	-145.5	112.8	175.8	0	0	0	0	0	110.4
207	T	33	Very low	34.7	Very low	149 Å²	149	136.9 Å²	136.9	91%	0.914	84%	0.835	S	S	*	*			trans	-149.4	147.3	160.7	14.2	0	0	0	0	108.1
208	L	36.6	Very low	35.6	Very low	177 Å²	177	138.3 Å²	138.3	93%	0.927	84%	0.84	S	S	*	*			trans	-86.8	155.1	-158.4	-73.9	139.7	0	0	0	114.3
209	S	33.7	Very low	36.5	Very low	100 Å²	100	137.9 Å²	137.9	70%	0.699	84%	0.835	S	S	*	*			trans	-73.7	146.1	164.6	-177.6	0	0	0	0	110.9
210	S	33.2	Very low	37.6	Very low	122 Å²	122	137 Å²	137	85%	0.853	83%	0.828	S	S	*	*			trans	-132.2	81.1	162.9	53.7	0	0	0	0	109.8
211	C	37.8	Very low	38.7	Very low	105 Å²	105	135.6 Å²	135.6	71%	0.709	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-95.5	128.3	172.3	51	0	0	0	0	110	S213	C211-S213 PolarHBondContact O-N 3.04Å
212	V	35.8	Very low	39.9	Very low	144 Å²	144	136.4 Å²	136.4	87%	0.873	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-67.2	126.3	175.9	177.8	0	0	0	0	109.5	M214	V212-M214 PolarHBondContact O-N 2.82Å
213	S	35.9	Very low	41.6	Very low	110 Å²	110	136.5 Å²	136.5	77%	0.769	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-67.4	122.7	175.9	-51.2	0	0	0	0	111.1	C211	C211-S213 PolarHBondContact O-N 3.04Å
214	M	42.7	Very low	43.6	Very low	181 Å²	181	137.2 Å²	137.2	89%	0.892	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-68.5	153.7	149.8	-69.6	-121.8	-125.6	0	0	108.9	V212	V212-M214 PolarHBondContact O-N 2.82Å
215	E	37.3	Very low	46	Very low	185 Å²	185	140.2 Å²	140.2	86%	0.864	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-61.6	138.6	-176.7	-65.4	-175.8	121	0	0	112.1	C217	E215-C217 PolarHBondContact O-N 2.84Å
216	P	44.7	Very low	48.4	Very low	117 Å²	117	139.6 Å²	139.6	76%	0.76	82%	0.815	S	S	*	*			trans	-78.5	105	-178.3	30.8	-33.7	0	0	0	111.2	T218	P216-T218 PolarHBondContact O-N 2.65Å
217	C	39.6	Very low	50.7	Low	118 Å²	118	137 Å²	137	80%	0.797	79%	0.794	S	S	*	*			trans	-57.6	120.6	155.1	-73.3	0	0	0	0	108.5	E215 C219	E215-C217 PolarHBondContact O-N 2.84Å; C217-C219 PolarHBondContact O-N 2.81Å
218	T	49.7	Very low	53.2	Low	141 Å²	141	138.1 Å²	138.1	87%	0.865	79%	0.793	S	S	*	*			trans	-69.7	104.7	-174	51.6	0	0	0	0	111.7	P216	P216-T218 PolarHBondContact O-N 2.65Å
219	C	48.1	Very low	55.8	Low	109 Å²	109	133 Å²	133	74%	0.736	77%	0.773	S	S	*	*			trans	-122.5	150.3	168.6	-64.5	0	0	0	0	109.9	C217	C217-C219 PolarHBondContact O-N 2.81Å
220	P	51.6	Low	58.5	Low	114 Å²	114	134.4 Å²	134.4	74%	0.74	77%	0.768	S	S	*	*			trans	-65.5	161.1	178.8	-20.2	33.6	0	0	0	113.6	E222	P220-E222 VanDerWaalsContact C-N 3.29Å; P220-E222 PolarHBondContact O-N 2.89Å
221	E	55.1	Low	61.1	Low	208 Å²	208	131.5 Å²	131.5	97%	0.972	75%	0.751	S	S	*	*			trans	-74.4	68.1	-178.1	-61.6	-175.9	128.8	0	0	113.5	S223	E221-S223 PolarHBondContact O-N 2.81Å
222	E	54.5	Low	63.5	Low	167 Å²	167	130.8 Å²	130.8	78%	0.78	74%	0.74	S	S	*	*			trans	-90	95.5	171.7	-66.8	-165.2	161.3	0	0	111.9	P220 M224	P220-E222 VanDerWaalsContact C-N 3.29Å; P220-E222 PolarHBondContact O-N 2.89Å; E222-M224 PolarHBondContact O-N 2.64Å
223	S	66.1	Low	66.1	Low	115 Å²	115	126.9 Å²	126.9	80%	0.804	72%	0.717	S	S	*	*			trans	38.7	64	151.4	55.2	0	0	0	0	118.8	E221 F225	E221-S223 PolarHBondContact O-N 2.81Å; S223-F225 PolarHBondContact O-N 3.04Å
224	M	73.3	Confident	68.7	Low	182 Å²	182	123.7 Å²	123.7	90%	0.897	69%	0.692	S	S	*	*			trans	-59.4	105.6	171.7	-73.3	-165	-73.2	0	0	113.5	E222	E222-M224 PolarHBondContact O-N 2.64Å
225	F	83.4	Confident	71	Confident	184 Å²	184	118.7 Å²	118.7	81%	0.807	67%	0.666	S	S	*	*			trans	-76.8	122.5	172.1	173.1	-101.1	0	0	0	111.8	S223 A227	S223-F225 PolarHBondContact O-N 3.04Å; F225-A227 HydrophobicContact CE1-CB 3.86Å; F225-A227 HydrophobicContact CZ-CB 4.07Å
226	T	85	Confident	73.5	Confident	105 Å²	105	116.3 Å²	116.3	64%	0.644	65%	0.649	S	S	*	*			trans	-118.4	112.8	179	-60.4	0	0	0	0	111.5	L228	T226-L228 HydrophobicContact CG2-CD2 4.27Å; T226-L228 PolarHBondContact O-N 3.36Å
227	A	87.3	Confident	75.8	Confident	45 Å²	45	116.8 Å²	116.8	37%	0.372	64%	0.639	S	S	.	*			trans	-90.5	92.7	176.2	0	0	0	0	0	111.5	F225 S229 H230	F225-A227 HydrophobicContact CE1-CB 3.86Å; F225-A227 HydrophobicContact CZ-CB 4.07Å; A227-S229 PolarHBondContact O-N 2.76Å; A227-H230 HydrophobicContact CB-CB 3.98Å; A227-H230 VanDerWaalsContact O-CB 3.24Å; A227-H230 WeakPolarHBondContact O-CB 3.34Å; A227-H230 PolarHBondContact O-N 3.37Å
228	L	86.4	Confident	78.3	Confident	172 Å²	172	113.8 Å²	113.8	90%	0.901	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.6	-26.8	-171.9	-64.9	172.4	0	0	0	115.9	T226	T226-L228 HydrophobicContact CG2-CD2 4.27Å; T226-L228 PolarHBondContact O-N 3.36Å
229	S	89.8	Confident	80.3	Confident	70 Å²	70	108.7 Å²	108.7	49%	0.49	58%	0.58	S	S	.	*	T	Hydrogen-bonded Turn	trans	-106.5	11.7	-179.9	58.3	0	0	0	0	114.4	A227 A231 D232 V233	A227-S229 PolarHBondContact O-N 2.76Å; S229-A231 PolarHBondContact O-N 2.8Å; S229-D232 WeakPolarHBondContact O-CB 3.23Å; S229-D232 PolarHBondContact O-N 3.23Å; S229-V233 WeakPolarHBondContact O-CG2 3.45Å; S229-V233 PolarHBondContact O-N 3.27Å
230	H	92	Very high	82.4	Confident	129 Å²	129	104.8 Å²	104.8	60%	0.597	56%	0.559	S	S	*	*	H	α-helix	trans	-61.6	-42.2	-174.6	-178.2	78.3	0	0	0	113.3	A227 T234	A227-H230 HydrophobicContact CB-CB 3.98Å; A227-H230 VanDerWaalsContact O-CB 3.24Å; A227-H230 WeakPolarHBondContact O-CB 3.34Å; A227-H230 PolarHBondContact O-N 3.37Å; H230-T234 VanDerWaalsContact O-CB 3.26Å; H230-T234 WeakPolarHBondContact O-CB 3.28Å; H230-T234 PolarHBondContact O-N 2.95Å; H230-T234 PolarHBondContact O-OG1 3.04Å
231	A	87.7	Confident	84.4	Confident	60 Å²	60	103.7 Å²	103.7	50%	0.496	54%	0.54	S	S	.	.	H	α-helix	trans	-62.6	-54.3	176	0	0	0	0	0	111	S229 V233 T234 F235	S229-A231 PolarHBondContact O-N 2.8Å; A231-V233 VanDerWaalsContact C-N 3.33Å; A231-V233 PolarHBondContact O-N 2.88Å; A231-T234 PolarHBondContact O-N 3.02Å; A231-F235 WeakPolarHBondContact O-CD2 3.39Å; A231-F235 PolarHBondContact O-N 2.94Å
232	D	87.3	Confident	86.1	Confident	90 Å²	90	94.5 Å²	94.5	48%	0.481	50%	0.498	S	S	.	.	H	α-helix	trans	-46.7	-50	175.2	-101.6	30.7	0	0	0	113.5	S229 T234 R236	S229-D232 WeakPolarHBondContact O-CB 3.23Å; S229-D232 PolarHBondContact O-N 3.23Å; D232-T234 VanDerWaalsContact C-N 3.34Å; D232-R236 VanDerWaalsContact CG-NH2 3.33Å; D232-R236 WeakPolarHBondContact O-CD 3.35Å; D232-R236 WeakPolarHBondContact O-CG 3.41Å; D232-R236 PolarHBondContact O-N 3.22Å; D232-R236 VanDerWaalsContact O-N 3.16Å; D232-R236 IonicContact OD2-CZ 2.71Å; D232-R236 IonicContact OD2-NH1 3.38Å; D232-R236 IonicContact OD2-NH2 3.71Å; D232-R236 PolarHBondContact OD2-NH2 3.36Å
233	V	89.9	Confident	87.9	Confident	63 Å²	63	95.4 Å²	95.4	38%	0.382	49%	0.494	S	S	.	.	H	α-helix	trans	-71.5	-31.8	-178.6	172.9	0	0	0	0	111.5	S229 A231 K237	S229-V233 WeakPolarHBondContact O-CG2 3.45Å; S229-V233 PolarHBondContact O-N 3.27Å; A231-V233 VanDerWaalsContact C-N 3.33Å; A231-V233 PolarHBondContact O-N 2.88Å; V233-K237 WeakPolarHBondContact O-CG 3.33Å; V233-K237 PolarHBondContact O-N 2.88Å
234	T	90.9	Very high	89.1	Confident	42 Å²	42	93.9 Å²	93.9	26%	0.258	48%	0.48	S	S	.	.	H	α-helix	trans	-74.2	-46.3	178.2	-62.2	0	0	0	0	111.8	H230 A231 D232 R236 K237 M238	H230-T234 VanDerWaalsContact O-CB 3.26Å; H230-T234 WeakPolarHBondContact O-CB 3.28Å; H230-T234 PolarHBondContact O-N 2.95Å; H230-T234 PolarHBondContact O-OG1 3.04Å; A231-T234 PolarHBondContact O-N 3.02Å; D232-T234 VanDerWaalsContact C-N 3.34Å; T234-R236 VanDerWaalsContact C-N 3.33Å; T234-R236 PolarHBondContact O-N 3.19Å; T234-K237 WeakPolarHBondContact O-CB 3.4Å; T234-K237 PolarHBondContact O-N 3.06Å; T234-M238 HydrophobicContact CG2-CE 3.8Å; T234-M238 HydrophobicContact CG2-SD 4.4Å; T234-M238 PolarHBondContact O-N 3.48Å
235	F	90.4	Very high	90	Very high	76 Å²	76	94.2 Å²	94.2	33%	0.333	47%	0.471	S	S	.	.	H	α-helix	trans	-62.3	-37.9	175.3	-86.1	-78.3	0	0	0	112.3	A231 K237 M238 E239 V265	A231-F235 WeakPolarHBondContact O-CD2 3.39Å; A231-F235 PolarHBondContact O-N 2.94Å; F235-K237 VanDerWaalsContact C-N 3.28Å; F235-K237 PolarHBondContact O-N 3.26Å; F235-M238 HydrophobicContact CD1-SD 4.2Å; F235-M238 HydrophobicContact CE1-SD 4.36Å; F235-M238 WeakPolarHBondContact O-CB 3.16Å; F235-M238 PolarHBondContact O-N 3.3Å; F235-M238 VanDerWaalsContact O-N 3.13Å; F235-E239 PolarHBondContact O-N 3.41Å; F235-V265 HydrophobicContact CE1-CG1 4.43Å
236	R	91.1	Very high	90.3	Very high	136 Å²	136	90.5 Å²	90.5	51%	0.513	46%	0.456	S	S	.	.	H	α-helix	trans	-60.8	-32.3	171.7	-72.4	168.2	-163.1	146.9	15.2	113.6	D232 T234 G240	D232-R236 VanDerWaalsContact CG-NH2 3.33Å; D232-R236 WeakPolarHBondContact O-CD 3.35Å; D232-R236 WeakPolarHBondContact O-CG 3.41Å; D232-R236 PolarHBondContact O-N 3.22Å; D232-R236 VanDerWaalsContact O-N 3.16Å; D232-R236 IonicContact OD2-CZ 2.71Å; D232-R236 IonicContact OD2-NH1 3.38Å; D232-R236 IonicContact OD2-NH2 3.71Å; D232-R236 PolarHBondContact OD2-NH2 3.36Å; T234-R236 VanDerWaalsContact C-N 3.33Å; T234-R236 PolarHBondContact O-N 3.19Å; R236-G240 PolarHBondContact O-N 3.42Å; R236-G240 VanDerWaalsContact O-N 3.11Å
237	K	91.8	Very high	90.5	Very high	127 Å²	127	91.9 Å²	91.9	55%	0.552	46%	0.459	S	S	*	.	H	α-helix	trans	-71.7	-41.3	172.7	-70.4	174.3	-178.6	179.9	0	111.5	V233 T234 F235 E239 G240 Y241	V233-K237 WeakPolarHBondContact O-CG 3.33Å; V233-K237 PolarHBondContact O-N 2.88Å; T234-K237 WeakPolarHBondContact O-CB 3.4Å; T234-K237 PolarHBondContact O-N 3.06Å; F235-K237 VanDerWaalsContact C-N 3.28Å; F235-K237 PolarHBondContact O-N 3.26Å; K237-E239 VanDerWaalsContact C-N 3.34Å; K237-G240 WeakPolarHBondContact O-CA 3.42Å; K237-G240 PolarHBondContact O-N 3.42Å; K237-G240 VanDerWaalsContact O-N 3.08Å; K237-Y241 WeakPolarHBondContact O-CD2 3.24Å; K237-Y241 PolarHBondContact O-N 3.38Å
238	M	92.8	Very high	90.7	Very high	54 Å²	54	91.6 Å²	91.6	27%	0.266	45%	0.454	S	S	.	.	H	α-helix	trans	-62.9	-39	174.8	-65.5	170.6	172.5	0	0	112	T234 F235 G240 Y241 L242 V265 Y307	T234-M238 HydrophobicContact CG2-CE 3.8Å; T234-M238 HydrophobicContact CG2-SD 4.4Å; T234-M238 PolarHBondContact O-N 3.48Å; F235-M238 HydrophobicContact CD1-SD 4.2Å; F235-M238 HydrophobicContact CE1-SD 4.36Å; F235-M238 WeakPolarHBondContact O-CB 3.16Å; F235-M238 PolarHBondContact O-N 3.3Å; F235-M238 VanDerWaalsContact O-N 3.13Å; M238-G240 VanDerWaalsContact C-N 3.29Å; M238-G240 PolarHBondContact O-N 3.26Å; M238-Y241 PolarHBondContact O-N 3.33Å; M238-L242 PolarHBondContact O-N 2.76Å; M238-V265 HydrophobicContact SD-CG2 4.06Å; M238-Y307 HydrophobicContact CB-CD1 3.92Å; M238-Y307 HydrophobicContact CB-CE1 4.11Å
239	E	91.9	Very high	91	Very high	34 Å²	34	87 Å²	87	16%	0.159	43%	0.43	C	S	.	.	H	α-helix	trans	-62.1	-37.9	171.1	-157.9	-147.3	154.7	0	0	111.5	F235 K237 L242 R243 T308	F235-E239 PolarHBondContact O-N 3.41Å; K237-E239 VanDerWaalsContact C-N 3.34Å; E239-L242 WeakPolarHBondContact O-CB 3.15Å; E239-L242 PolarHBondContact O-N 2.86Å; E239-R243 VanDerWaalsContact O-CG 3.31Å; E239-R243 WeakPolarHBondContact O-CG 3.42Å; E239-R243 PolarHBondContact O-N 3.02Å; E239-R243 IonicContact OE1-CZ 3.6Å; E239-R243 IonicContact OE1-NE 2.72Å; E239-R243 PolarHBondContact OE1-NE 3.08Å; E239-R243 IonicContact OE1-NH2 3.37Å; E239-R243 PolarHBondContact OE1-NH2 2.87Å; E239-R243 IonicContact OE2-NH2 2.69Å; E239-T308 HydrophobicContact CG-CG2 3.98Å
240	G	92.3	Very high	91.2	Very high	28 Å²	28	83.8 Å²	83.8	29%	0.289	41%	0.408	S	S	.	.	H	α-helix	trans	-57.7	-47.9	170.5	0	0	0	0	0	112.7	R236 K237 M238 R243 T244	R236-G240 PolarHBondContact O-N 3.42Å; R236-G240 VanDerWaalsContact O-N 3.11Å; K237-G240 WeakPolarHBondContact O-CA 3.42Å; K237-G240 PolarHBondContact O-N 3.42Å; K237-G240 VanDerWaalsContact O-N 3.08Å; M238-G240 VanDerWaalsContact C-N 3.29Å; M238-G240 PolarHBondContact O-N 3.26Å; G240-R243 PolarHBondContact O-N 3.13Å; G240-T244 PolarHBondContact O-N 3.37Å; G240-T244 PolarHBondContact O-OG1 2.85Å; G240-T244 VanDerWaalsContact O-OG1 3.13Å
241	Y	92.9	Very high	91.3	Very high	91 Å²	91	79.8 Å²	79.8	36%	0.357	39%	0.39	S	S	.	.	H	α-helix	trans	-63.7	-39.2	176.9	-58.1	-38.3	0	0	0	112.7	K237 M238 R243 T244 R245 Q246	K237-Y241 WeakPolarHBondContact O-CD2 3.24Å; K237-Y241 PolarHBondContact O-N 3.38Å; M238-Y241 PolarHBondContact O-N 3.33Å; Y241-R243 PolarHBondContact O-N 3Å; Y241-T244 CarbonylContact O-C 3.57Å; Y241-T244 PolarHBondContact O-N 2.93Å; Y241-T244 PolarHBondContact O-OG1 3.44Å; Y241-R245 CarbonylContact O-C 3.16Å; Y241-R245 WeakPolarHBondContact O-CA 3.31Å; Y241-R245 PolarHBondContact O-N 3.27Å; Y241-Q246 HydrophobicContact CD1-CB 4.2Å; Y241-Q246 PolarHBondContact O-N 3.27Å
242	L	91.9	Very high	91.6	Very high	14 Å²	14	76.9 Å²	76.9	7%	0.073	37%	0.366	C	S	.	.	H	α-helix	trans	-57.9	-48	172.3	-175.9	75.6	0	0	0	111.5	M238 E239 T244 R245 P260 Y307	M238-L242 PolarHBondContact O-N 2.76Å; E239-L242 WeakPolarHBondContact O-CB 3.15Å; E239-L242 PolarHBondContact O-N 2.86Å; L242-T244 PolarHBondContact O-N 3.27Å; L242-R245 PolarHBondContact O-N 3.43Å; L242-P260 WeakPolarHBondContact CD1-O 3.32Å; L242-Y307 HydrophobicContact CB-CD1 4.46Å; L242-Y307 HydrophobicContact CB-CE1 4.26Å; L242-Y307 HydrophobicContact CD1-CE2 3.98Å; L242-Y307 HydrophobicContact CD2-CD2 3.69Å; L242-Y307 HydrophobicContact CD2-CE2 3.84Å; L242-Y307 HydrophobicContact CD2-CG 4.08Å; L242-Y307 HydrophobicContact CG-CE2 4.4Å
243	R	90.8	Very high	91.9	Very high	186 Å²	186	73.8 Å²	73.8	70%	0.702	35%	0.351	S	S	*	.	H	α-helix	trans	-64.2	-36.5	179.3	-70.4	171	179.6	-141.6	9.5	112.6	E239 G240 Y241	E239-R243 VanDerWaalsContact O-CG 3.31Å; E239-R243 WeakPolarHBondContact O-CG 3.42Å; E239-R243 PolarHBondContact O-N 3.02Å; E239-R243 IonicContact OE1-CZ 3.6Å; E239-R243 IonicContact OE1-NE 2.72Å; E239-R243 PolarHBondContact OE1-NE 3.08Å; E239-R243 IonicContact OE1-NH2 3.37Å; E239-R243 PolarHBondContact OE1-NH2 2.87Å; E239-R243 IonicContact OE2-NH2 2.69Å; G240-R243 PolarHBondContact O-N 3.13Å; Y241-R243 PolarHBondContact O-N 3Å
244	T	92.6	Very high	92	Very high	83 Å²	83	70.8 Å²	70.8	51%	0.509	33%	0.333	S	S	.	.	H	α-helix	trans	-87.4	-3.3	177	58.8	0	0	0	0	113.9	G240 Y241 L242 Q246	G240-T244 PolarHBondContact O-N 3.37Å; G240-T244 PolarHBondContact O-OG1 2.85Å; G240-T244 VanDerWaalsContact O-OG1 3.13Å; Y241-T244 CarbonylContact O-C 3.57Å; Y241-T244 PolarHBondContact O-N 2.93Å; Y241-T244 PolarHBondContact O-OG1 3.44Å; L242-T244 PolarHBondContact O-N 3.27Å; T244-Q246 PolarHBondContact O-N 3.31Å; T244-Q246 VanDerWaalsContact OG1-CD 3.25Å; T244-Q246 WeakPolarHBondContact OG1-CG 3.3Å; T244-Q246 PolarHBondContact OG1-OE1 3.06Å; T244-Q246 VanDerWaalsContact OG1-OE1 3.08Å
245	R	91.3	Very high	91.8	Very high	190 Å²	190	71.6 Å²	71.6	72%	0.717	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	30.8	-172.3	-54.4	-176.5	179.6	-177.7	-1.4	113.8	Y241 L242 P260	Y241-R245 CarbonylContact O-C 3.16Å; Y241-R245 WeakPolarHBondContact O-CA 3.31Å; Y241-R245 PolarHBondContact O-N 3.27Å; L242-R245 PolarHBondContact O-N 3.43Å; R245-P260 HydrophobicContact CG-CG 4.14Å
246	Q	89.6	Confident	91.6	Very high	105 Å²	105	75.2 Å²	75.2	49%	0.491	37%	0.372	S	S	.	.			trans	-82.5	144.3	172	-71.2	171	-19.6	0	0	109.6	Y241 T244 C248 H262	Y241-Q246 HydrophobicContact CD1-CB 4.2Å; Y241-Q246 PolarHBondContact O-N 3.27Å; T244-Q246 PolarHBondContact O-N 3.31Å; T244-Q246 VanDerWaalsContact OG1-CD 3.25Å; T244-Q246 WeakPolarHBondContact OG1-CG 3.3Å; T244-Q246 PolarHBondContact OG1-OE1 3.06Å; T244-Q246 VanDerWaalsContact OG1-OE1 3.08Å; Q246-C248 PolarHBondContact O-N 3.23Å; Q246-C248 PolarHBondContact O-SG 2.95Å; Q246-C248 VanDerWaalsContact O-SG 3.39Å; Q246-H262 PolarHBondContact O-CE1 3.28Å; Q246-H262 PolarHBondContact O-NE2 3.32Å; Q246-H262 VanDerWaalsContact O-NE2 3.16Å
247	L	90.6	Very high	91.6	Very high	135 Å²	135	71.8 Å²	71.8	71%	0.707	36%	0.359	S	S	*	.	S	Bend	trans	55.5	11.6	173.9	-54.1	178.4	0	0	0	117	D249 H262	L247-D249 PolarHBondContact O-N 3.4Å; L247-H262 PolarHBondContact O-CD2 2.88Å
248	C	91.3	Very high	91.7	Very high	38 Å²	38	72.9 Å²	72.9	26%	0.257	36%	0.36	S	S	.	.			trans	-70.9	122.6	176.2	-59.9	0	0	0	0	110.3	Q246 P260 A261 H262	Q246-C248 PolarHBondContact O-N 3.23Å; Q246-C248 PolarHBondContact O-SG 2.95Å; Q246-C248 VanDerWaalsContact O-SG 3.39Å; C248-P260 HydrophobicContact CB-CB 4.1Å; C248-A261 CarbonylContact C-O 3.57Å; C248-A261 VanDerWaalsContact CA-O 3.26Å; C248-A261 WeakPolarHBondContact CA-O 3.16Å; C248-A261 WeakPolarHBondContact CB-O 3.49Å; C248-H262 PolarHBondContact SG-CE1 3.28Å
249	D	92.7	Very high	91.7	Very high	76 Å²	76	70.4 Å²	70.4	41%	0.406	35%	0.347	S	S	.	.			trans	-115.8	9.8	-171.8	65.2	-11.1	0	0	0	113.2	L247 A261 H262 R263	L247-D249 PolarHBondContact O-N 3.4Å; D249-A261 PolarHBondContact N-O 3.45Å; D249-H262 WeakPolarHBondContact OD1-CA 3.41Å; D249-R263 PolarHBondContact O-NE 2.64Å; D249-R263 WeakPolarHBondContact OD1-CG 3.46Å; D249-R263 PolarHBondContact OD1-N 2.88Å; D249-R263 WeakPolarHBondContact OD2-CB 3.39Å; D249-R263 WeakPolarHBondContact OD2-CD 3.43Å
250	V	93.4	Very high	91.9	Very high	3 Å²	3	69.8 Å²	69.8	2%	0.018	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	147.6	169.2	65.2	0	0	0	0	111.1	L252 A261 R263 L266 F277 D287 V289	V250-L252 HydrophobicContact CG2-CD2 4.22Å; V250-A261 HydrophobicContact CG1-CB 4.14Å; V250-A261 PolarHBondContact N-O 3.19Å; V250-A261 PolarHBondContact O-N 2.96Å; V250-R263 HydrophobicContact CB-CG 3.82Å; V250-R263 HydrophobicContact CG1-CG 3.74Å; V250-L266 HydrophobicContact CG1-CD1 4.31Å; V250-F277 HydrophobicContact CG1-CZ 4.29Å; V250-F277 HydrophobicContact CG2-CE1 4.27Å; V250-F277 HydrophobicContact CG2-CZ 4.18Å; V250-D287 CarbonylContact C-O 3.58Å; V250-V289 HydrophobicContact CG2-CG2 3.99Å
251	I	94.1	Very high	92	Very high	44 Å²	44	68.5 Å²	68.5	23%	0.226	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	116.8	168.2	-57.1	177.6	0	0	0	108.3	V253 R258 I259 D287 E288 V289	I251-V253 HydrophobicContact CG2-CG2 4.28Å; I251-R258 HydrophobicContact CG2-CB 3.86Å; I251-R258 HydrophobicContact CG2-CG 4.35Å; I251-I259 CarbonylContact C-O 3.52Å; I251-I259 WeakPolarHBondContact CA-O 3.27Å; I251-D287 PolarHBondContact N-O 3.2Å; I251-E288 HydrophobicContact CB-CG 4.23Å; I251-E288 CarbonylContact O-C 3.59Å; I251-E288 WeakPolarHBondContact O-CA 3.43Å; I251-V289 PolarHBondContact O-N 2.83Å
252	L	93.8	Very high	92.1	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	134	170.3	-55.5	-177.4	0	0	0	109.5	V250 I259 L266 F273 V289 M291 L299 V303	V250-L252 HydrophobicContact CG2-CD2 4.22Å; L252-I259 HydrophobicContact CB-CB 4.44Å; L252-I259 PolarHBondContact N-O 3.19Å; L252-I259 PolarHBondContact O-N 3.21Å; L252-L266 HydrophobicContact CD1-CD1 3.96Å; L252-L266 HydrophobicContact CG-CD1 4.47Å; L252-F273 HydrophobicContact CD1-CE1 4.05Å; L252-F273 HydrophobicContact CD1-CZ 3.66Å; L252-F273 HydrophobicContact CD2-CE1 4.04Å; L252-F273 HydrophobicContact CD2-CZ 4.49Å; L252-V289 CarbonylContact C-O 3.6Å; L252-V289 WeakPolarHBondContact CA-O 3.45Å; L252-V289 HydrophobicContact CD2-CB 4.21Å; L252-M291 HydrophobicContact CB-CG 4.26Å; L252-M291 HydrophobicContact CD2-SD 4.32Å; L252-L299 HydrophobicContact CB-CD2 4.14Å; L252-L299 HydrophobicContact CD1-CD1 4.2Å; L252-L299 HydrophobicContact CD1-CD2 4.41Å; L252-V303 HydrophobicContact CD1-CG2 4.05Å
253	V	93.1	Very high	92.1	Very high	25 Å²	25	66.3 Å²	66.3	15%	0.152	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	106.2	-177.4	-168.8	0	0	0	0	109.7	I251 R257 R258 E288 V289 M291	I251-V253 HydrophobicContact CG2-CG2 4.28Å; V253-R257 WeakPolarHBondContact CA-O 3.47Å; V253-R258 HydrophobicContact CG1-CG 4.14Å; V253-R258 HydrophobicContact CG2-CG 4.13Å; V253-E288 HydrophobicContact CG2-CB 4.31Å; V253-V289 PolarHBondContact N-O 3.01Å; V253-M291 PolarHBondContact O-N 2.8Å
254	A	91.8	Very high	92.2	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	118.1	175.6	0	0	0	0	0	109.6	D256 R257 M291 P296 L299	A254-D256 PolarHBondContact O-N 3.09Å; A254-R257 PolarHBondContact N-O 3.12Å; A254-R257 PolarHBondContact O-N 3.05Å; A254-M291 HydrophobicContact CB-CB 4.33Å; A254-P296 HydrophobicContact CB-CB 4.5Å; A254-P296 HydrophobicContact CB-CG 4.5Å; A254-L299 HydrophobicContact CB-CD2 3.6Å
255	G	86.9	Confident	92.2	Very high	59 Å²	59	60.1 Å²	60.1	61%	0.608	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.9	-118.2	-172	0	0	0	0	0	111.6
256	D	86.7	Confident	92.4	Very high	151 Å²	151	51.2 Å²	51.2	81%	0.807	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-11.4	174.3	61.4	-26.9	0	0	0	113.7	A254	A254-D256 PolarHBondContact O-N 3.09Å
257	R	91.2	Very high	92.5	Very high	64 Å²	64	47.6 Å²	47.6	24%	0.242	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	121.4	-173.9	-160.9	173.8	-178.2	171.9	-1.8	112	V253 A254 I259 P296 E297 W300	V253-R257 WeakPolarHBondContact CA-O 3.47Å; A254-R257 PolarHBondContact N-O 3.12Å; A254-R257 PolarHBondContact O-N 3.05Å; R257-I259 HydrophobicContact CG-CD1 4.45Å; R257-I259 HydrophobicContact CG-CG1 4.06Å; R257-P296 HydrophobicContact CB-CB 3.86Å; R257-E297 IonicContact CZ-OE1 3.78Å; R257-E297 IonicContact CZ-OE2 2.64Å; R257-E297 IonicContact NH1-OE1 2.77Å; R257-E297 PolarHBondContact NH1-OE1 3.21Å; R257-E297 IonicContact NH1-OE2 2.76Å; R257-E297 PolarHBondContact NH1-OE2 2.71Å; R257-W300 VanDerWaalsContact CZ-CG 3.42Å; R257-W300 VanDerWaalsContact NH2-CD1 3.26Å
258	R	93.6	Very high	92.6	Very high	151 Å²	151	44.8 Å²	44.8	57%	0.57	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-99.2	117.1	172.4	-69.7	172.9	68.3	-138.8	4.3	110	I251 V253 E288	I251-R258 HydrophobicContact CG2-CB 3.86Å; I251-R258 HydrophobicContact CG2-CG 4.35Å; V253-R258 HydrophobicContact CG1-CG 4.14Å; V253-R258 HydrophobicContact CG2-CG 4.13Å; R258-E288 IonicContact CZ-OE1 2.66Å; R258-E288 IonicContact NE-OE1 2.65Å; R258-E288 PolarHBondContact NE-OE1 3.33Å; R258-E288 IonicContact NH2-OE1 3.15Å; R258-E288 PolarHBondContact NH2-OE1 3.08Å
259	I	94.3	Very high	92.7	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	104.8	-173.6	-61	169.5	0	0	0	108.6	I251 L252 R257 L299 W300 V303	I251-I259 CarbonylContact C-O 3.52Å; I251-I259 WeakPolarHBondContact CA-O 3.27Å; L252-I259 HydrophobicContact CB-CB 4.44Å; L252-I259 PolarHBondContact N-O 3.19Å; L252-I259 PolarHBondContact O-N 3.21Å; R257-I259 HydrophobicContact CG-CD1 4.45Å; R257-I259 HydrophobicContact CG-CG1 4.06Å; I259-L299 HydrophobicContact CD1-CB 4.28Å; I259-L299 HydrophobicContact CD1-CD2 4.05Å; I259-L299 HydrophobicContact CD1-CG 3.97Å; I259-W300 HydrophobicContact CD1-CB 3.95Å; I259-W300 HydrophobicContact CD1-CE3 4.38Å; I259-W300 HydrophobicContact CG1-CE3 4.12Å; I259-W300 HydrophobicContact CG2-CE3 3.8Å; I259-W300 HydrophobicContact CG2-CZ3 4.07Å; I259-V303 HydrophobicContact CG2-CB 4.39Å; I259-V303 HydrophobicContact CG2-CG1 4.15Å; I259-V303 HydrophobicContact CG2-CG2 4.23Å
260	P	94.3	Very high	92.8	Very high	22 Å²	22	42 Å²	42	14%	0.143	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	142.4	171.3	30.4	-33.6	0	0	0	109.9	L242 R245 C248	L242-P260 WeakPolarHBondContact CD1-O 3.32Å; R245-P260 HydrophobicContact CG-CG 4.14Å; C248-P260 HydrophobicContact CB-CB 4.1Å
261	A	95.1	Very high	92.8	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	-179.1	178.6	0	0	0	0	0	111.1	C248 D249 V250 L266 V303	C248-A261 CarbonylContact C-O 3.57Å; C248-A261 VanDerWaalsContact CA-O 3.26Å; C248-A261 WeakPolarHBondContact CA-O 3.16Å; C248-A261 WeakPolarHBondContact CB-O 3.49Å; D249-A261 PolarHBondContact N-O 3.45Å; V250-A261 HydrophobicContact CG1-CB 4.14Å; V250-A261 PolarHBondContact N-O 3.19Å; V250-A261 PolarHBondContact O-N 2.96Å; A261-L266 HydrophobicContact CB-CD1 3.74Å; A261-L266 HydrophobicContact CB-CG 4.25Å; A261-V303 HydrophobicContact CB-CG1 4.36Å
262	H	94.5	Very high	92.7	Very high	21 Å²	21	48.1 Å²	48.1	10%	0.097	26%	0.259	C	S	.	.			trans	-116.6	122.8	174.1	-55.8	63.8	0	0	0	109.8	Q246 L247 C248 D249 L264 V265 L266 Y307	Q246-H262 PolarHBondContact O-CE1 3.28Å; Q246-H262 PolarHBondContact O-NE2 3.32Å; Q246-H262 VanDerWaalsContact O-NE2 3.16Å; L247-H262 PolarHBondContact O-CD2 2.88Å; C248-H262 PolarHBondContact SG-CE1 3.28Å; D249-H262 WeakPolarHBondContact OD1-CA 3.41Å; H262-L264 VanDerWaalsContact C-N 3.31Å; H262-L264 PolarHBondContact O-N 2.98Å; H262-V265 HydrophobicContact CB-CB 4.41Å; H262-V265 HydrophobicContact CB-CG2 4.21Å; H262-V265 PolarHBondContact O-N 3.43Å; H262-V265 VanDerWaalsContact O-N 3.11Å; H262-L266 PolarHBondContact O-N 2.88Å; H262-L266 VanDerWaalsContact O-N 3.13Å; H262-Y307 VanDerWaalsContact CB-OH 3.24Å; H262-Y307 WeakPolarHBondContact CB-OH 3.4Å; H262-Y307 PolarHBondContact N-OH 3.4Å; H262-Y307 AromaticContact ND1-CE1 3.95Å; H262-Y307 AromaticContact ND1-CZ 3.78Å; H262-Y307 PolarHBondContact ND1-OH 2.84Å
263	R	92.8	Very high	92.6	Very high	38 Å²	38	48.5 Å²	48.5	14%	0.143	26%	0.26	C	S	.	.	H	α-helix	trans	-53.3	-46	-178.6	-70.6	165.6	161.5	-98.9	-7.7	111.7	D249 V250 V265 L266 S267 F277 E283 A284 Q286	D249-R263 PolarHBondContact O-NE 2.64Å; D249-R263 WeakPolarHBondContact OD1-CG 3.46Å; D249-R263 PolarHBondContact OD1-N 2.88Å; D249-R263 WeakPolarHBondContact OD2-CB 3.39Å; D249-R263 WeakPolarHBondContact OD2-CD 3.43Å; V250-R263 HydrophobicContact CB-CG 3.82Å; V250-R263 HydrophobicContact CG1-CG 3.74Å; R263-V265 VanDerWaalsContact C-N 3.34Å; R263-V265 PolarHBondContact O-N 2.91Å; R263-L266 PolarHBondContact O-N 2.72Å; R263-S267 WeakPolarHBondContact O-CB 3.26Å; R263-S267 PolarHBondContact O-N 3.46Å; R263-S267 PolarHBondContact O-OG 3.38Å; R263-S267 VanDerWaalsContact O-OG 3.07Å; R263-F277 HydrophobicContact CB-CD2 3.9Å; R263-F277 HydrophobicContact CB-CE2 4.23Å; R263-F277 HydrophobicContact CB-CG 4.26Å; R263-F277 HydrophobicContact CG-CD1 4.25Å; R263-F277 HydrophobicContact CG-CD2 3.99Å; R263-F277 HydrophobicContact CG-CE1 4.3Å; R263-F277 HydrophobicContact CG-CE2 4.04Å; R263-F277 HydrophobicContact CG-CG 4.11Å; R263-F277 HydrophobicContact CG-CZ 4.2Å; R263-F277 VanDerWaalsContact NH1-CD1 3.3Å; R263-E283 PolarHBondContact NH2-O 2.78Å; R263-A284 PolarHBondContact NH1-O 3.4Å; R263-A284 PolarHBondContact NH2-O 2.8Å; R263-Q286 PolarHBondContact NH2-O 3.27Å
264	L	92.1	Very high	92.5	Very high	133 Å²	133	48.4 Å²	48.4	70%	0.696	26%	0.263	S	S	*	.	H	α-helix	trans	-56.1	-44.9	178.2	-179.8	63.5	0	0	0	112.8	H262 S268	H262-L264 VanDerWaalsContact C-N 3.31Å; H262-L264 PolarHBondContact O-N 2.98Å; L264-S268 WeakPolarHBondContact O-CB 3.32Å; L264-S268 PolarHBondContact O-N 3.37Å; L264-S268 PolarHBondContact O-OG 3.44Å
265	V	93.8	Very high	92.4	Very high	6 Å²	6	51 Å²	51	4%	0.036	28%	0.284	C	S	.	.	H	α-helix	trans	-70.1	-44.3	-178.1	175	0	0	0	0	110.4	F235 M238 H262 R263 S268 V269 A306 Y307	F235-V265 HydrophobicContact CE1-CG1 4.43Å; M238-V265 HydrophobicContact SD-CG2 4.06Å; H262-V265 HydrophobicContact CB-CB 4.41Å; H262-V265 HydrophobicContact CB-CG2 4.21Å; H262-V265 PolarHBondContact O-N 3.43Å; H262-V265 VanDerWaalsContact O-N 3.11Å; R263-V265 VanDerWaalsContact C-N 3.34Å; R263-V265 PolarHBondContact O-N 2.91Å; V265-S268 PolarHBondContact O-N 3.29Å; V265-S268 VanDerWaalsContact O-N 3.17Å; V265-S268 PolarHBondContact O-OG 2.96Å; V265-V269 PolarHBondContact O-N 2.91Å; V265-A306 HydrophobicContact CG1-CB 4.37Å; V265-Y307 HydrophobicContact CB-CE1 4.02Å; V265-Y307 HydrophobicContact CB-CE2 4.44Å; V265-Y307 HydrophobicContact CG1-CD1 4.03Å; V265-Y307 HydrophobicContact CG1-CD2 4.13Å; V265-Y307 HydrophobicContact CG1-CE1 3.79Å; V265-Y307 HydrophobicContact CG1-CE2 3.88Å; V265-Y307 HydrophobicContact CG1-CG 4.19Å; V265-Y307 HydrophobicContact CG2-CD1 4.48Å; V265-Y307 HydrophobicContact CG2-CE1 3.79Å
266	L	93.9	Very high	92.5	Very high	4 Å²	4	49.3 Å²	49.3	2%	0.021	26%	0.261	C	S	.	.	H	α-helix	trans	-61.8	-46.8	177.2	-66.3	-178.9	0	0	0	111.7	V250 L252 A261 H262 R263 S268 V269 S270 F273 F277 V303 A306	V250-L266 HydrophobicContact CG1-CD1 4.31Å; L252-L266 HydrophobicContact CD1-CD1 3.96Å; L252-L266 HydrophobicContact CG-CD1 4.47Å; A261-L266 HydrophobicContact CB-CD1 3.74Å; A261-L266 HydrophobicContact CB-CG 4.25Å; H262-L266 PolarHBondContact O-N 2.88Å; H262-L266 VanDerWaalsContact O-N 3.13Å; R263-L266 PolarHBondContact O-N 2.72Å; L266-S268 PolarHBondContact O-N 3.3Å; L266-V269 PolarHBondContact O-N 3.41Å; L266-S270 PolarHBondContact O-N 3.32Å; L266-F273 HydrophobicContact CB-CB 3.91Å; L266-F273 HydrophobicContact CB-CD2 3.8Å; L266-F273 HydrophobicContact CB-CE2 4.49Å; L266-F273 HydrophobicContact CB-CG 3.89Å; L266-F273 HydrophobicContact CD1-CD1 4.49Å; L266-F273 HydrophobicContact CD1-CD2 4.38Å; L266-F273 HydrophobicContact CD1-CE1 4.49Å; L266-F273 HydrophobicContact CD1-CE2 4.36Å; L266-F273 HydrophobicContact CD1-CG 4.46Å; L266-F273 HydrophobicContact CD1-CZ 4.43Å; L266-F273 HydrophobicContact CD2-CD2 4.25Å; L266-F273 HydrophobicContact CD2-CE2 4.18Å; L266-F273 HydrophobicContact CG-CD2 4.37Å; L266-F277 HydrophobicContact CB-CE2 4.13Å; L266-F277 HydrophobicContact CD1-CE2 4.1Å; L266-F277 HydrophobicContact CD1-CZ 4.47Å; L266-V303 HydrophobicContact CD2-CG2 4.27Å; L266-A306 HydrophobicContact CD2-CB 4.44Å
267	S	93.3	Very high	92.7	Very high	29 Å²	29	43.2 Å²	43.2	20%	0.203	23%	0.227	C	C	.	.	H	α-helix	trans	-61.5	-30.1	174.5	-62.6	0	0	0	0	113.3	R263 V269	R263-S267 WeakPolarHBondContact O-CB 3.26Å; R263-S267 PolarHBondContact O-N 3.46Å; R263-S267 PolarHBondContact O-OG 3.38Å; R263-S267 VanDerWaalsContact O-OG 3.07Å; S267-V269 VanDerWaalsContact C-N 3.26Å; S267-V269 PolarHBondContact O-N 3.13Å
268	S	92.3	Very high	92.4	Very high	76 Å²	76	45.8 Å²	45.8	53%	0.531	25%	0.25	S	C	.	.	H	α-helix	trans	-76.7	-10.2	179.6	71.2	0	0	0	0	114.5	L264 V265 L266	L264-S268 WeakPolarHBondContact O-CB 3.32Å; L264-S268 PolarHBondContact O-N 3.37Å; L264-S268 PolarHBondContact O-OG 3.44Å; V265-S268 PolarHBondContact O-N 3.29Å; V265-S268 VanDerWaalsContact O-N 3.17Å; V265-S268 PolarHBondContact O-OG 2.96Å; L266-S268 PolarHBondContact O-N 3.3Å
269	V	92.9	Very high	91.9	Very high	50 Å²	50	41 Å²	41	30%	0.303	24%	0.24	S	C	.	.	H	α-helix	trans	-120.7	-16.1	-176.1	-177.5	0	0	0	0	112.5	V265 L266 S267 Y305 A306 L330	V265-V269 PolarHBondContact O-N 2.91Å; L266-V269 PolarHBondContact O-N 3.41Å; S267-V269 VanDerWaalsContact C-N 3.26Å; S267-V269 PolarHBondContact O-N 3.13Å; V269-Y305 HydrophobicContact CG1-CD1 4.48Å; V269-Y305 HydrophobicContact CG1-CE1 4.04Å; V269-A306 HydrophobicContact CB-CB 4.21Å; V269-A306 HydrophobicContact CG1-CB 4.2Å; V269-A306 HydrophobicContact CG2-CB 4.15Å; V269-L330 HydrophobicContact CG1-CD2 3.91Å; V269-L330 VanDerWaalsContact O-CD2 3.27Å; V269-L330 WeakPolarHBondContact O-CD2 3.35Å
270	S	95.4	Very high	91.1	Very high	4 Å²	4	47.8 Å²	47.8	3%	0.028	28%	0.276	C	S	.	.			trans	-139.6	119.6	-173.5	169.2	0	0	0	0	111.7	L266 Y272 F273 A274 L328	L266-S270 PolarHBondContact O-N 3.32Å; S270-Y272 PolarHBondContact O-N 3.47Å; S270-Y272 PolarHBondContact OG-N 2.68Å; S270-F273 PolarHBondContact O-N 3.24Å; S270-F273 PolarHBondContact OG-N 3.39Å; S270-A274 WeakPolarHBondContact O-CB 3.34Å; S270-A274 PolarHBondContact O-N 3.22Å; S270-L328 PolarHBondContact OG-O 2.94Å
271	D	92.3	Very high	90.4	Very high	110 Å²	110	49.4 Å²	49.4	59%	0.588	29%	0.285	S	S	*	.	H	α-helix	trans	-61.5	-31.4	173.9	-64.5	-52.6	0	0	0	112.2	A274 A275	D271-A274 PolarHBondContact O-N 3.4Å; D271-A275 WeakPolarHBondContact O-CB 3.42Å; D271-A275 PolarHBondContact O-N 3.28Å
272	Y	92.3	Very high	89.4	Confident	67 Å²	67	58.2 Å²	58.2	26%	0.263	32%	0.319	S	S	.	.	H	α-helix	trans	-61.8	-49	173.4	175.6	-87	0	0	0	111.7	S270 M276 M291 L327 L328	S270-Y272 PolarHBondContact O-N 3.47Å; S270-Y272 PolarHBondContact OG-N 2.68Å; Y272-M276 HydrophobicContact CE1-CE 3.5Å; Y272-M276 VanDerWaalsContact CE1-CE 3.5Å; Y272-M276 HydrophobicContact CE1-SD 4.4Å; Y272-M276 VanDerWaalsContact O-CB 3.32Å; Y272-M276 WeakPolarHBondContact O-CB 3.33Å; Y272-M276 PolarHBondContact O-N 2.9Å; Y272-M276 VanDerWaalsContact OH-CE 3.31Å; Y272-M276 WeakPolarHBondContact OH-CE 3.37Å; Y272-M291 HydrophobicContact CE1-CE 3.85Å; Y272-L327 WeakPolarHBondContact CD2-O 3.38Å; Y272-L328 HydrophobicContact CD1-CD2 3.59Å; Y272-L328 HydrophobicContact CE1-CD2 3.77Å; Y272-L328 HydrophobicContact CG-CD2 4.32Å
273	F	92.7	Very high	88.6	Confident	7 Å²	7	60.1 Å²	60.1	3%	0.031	33%	0.327	C	S	.	.	H	α-helix	trans	-71	-35.1	176.4	-73.1	-54.4	0	0	0	112.2	L252 L266 S270 M276 F277 M291 L328	L252-F273 HydrophobicContact CD1-CE1 4.05Å; L252-F273 HydrophobicContact CD1-CZ 3.66Å; L252-F273 HydrophobicContact CD2-CE1 4.04Å; L252-F273 HydrophobicContact CD2-CZ 4.49Å; L266-F273 HydrophobicContact CB-CB 3.91Å; L266-F273 HydrophobicContact CB-CD2 3.8Å; L266-F273 HydrophobicContact CB-CE2 4.49Å; L266-F273 HydrophobicContact CB-CG 3.89Å; L266-F273 HydrophobicContact CD1-CD1 4.49Å; L266-F273 HydrophobicContact CD1-CD2 4.38Å; L266-F273 HydrophobicContact CD1-CE1 4.49Å; L266-F273 HydrophobicContact CD1-CE2 4.36Å; L266-F273 HydrophobicContact CD1-CG 4.46Å; L266-F273 HydrophobicContact CD1-CZ 4.43Å; L266-F273 HydrophobicContact CD2-CD2 4.25Å; L266-F273 HydrophobicContact CD2-CE2 4.18Å; L266-F273 HydrophobicContact CG-CD2 4.37Å; S270-F273 PolarHBondContact O-N 3.24Å; S270-F273 PolarHBondContact OG-N 3.39Å; F273-M276 HydrophobicContact CD1-SD 4.12Å; F273-M276 HydrophobicContact CE1-SD 4.38Å; F273-M276 PolarHBondContact O-N 3.38Å; F273-F277 HydrophobicContact CB-CD2 4.1Å; F273-F277 HydrophobicContact CB-CE2 3.89Å; F273-F277 AromaticContact CD1-CE2 3.76Å; F273-F277 HydrophobicContact CD1-CE2 3.76Å; F273-F277 AromaticContact CD1-CZ 3.87Å; F273-F277 HydrophobicContact CD1-CZ 3.87Å; F273-F277 HydrophobicContact CE1-CZ 4.47Å; F273-F277 HydrophobicContact CG-CE2 4.1Å; F273-F277 WeakPolarHBondContact O-CB 3.4Å; F273-F277 VanDerWaalsContact O-CD2 3.25Å; F273-F277 WeakPolarHBondContact O-CD2 3.21Å; F273-F277 WeakPolarHBondContact O-CG 3.49Å; F273-F277 PolarHBondContact O-N 3.13Å; F273-M291 HydrophobicContact CE1-CE 4.23Å; F273-M291 HydrophobicContact CE1-SD 4.38Å; F273-M291 HydrophobicContact CZ-CE 4.3Å; F273-L328 HydrophobicContact CE1-CD2 4.3Å; F273-L328 HydrophobicContact CE2-CD1 4.09Å; F273-L328 HydrophobicContact CE2-CD2 3.82Å; F273-L328 HydrophobicContact CE2-CG 4.43Å; F273-L328 HydrophobicContact CZ-CD1 4.31Å; F273-L328 HydrophobicContact CZ-CD2 3.63Å
274	A	91.6	Very high	87.8	Confident	24 Å²	24	59.1 Å²	59.1	20%	0.198	33%	0.327	C	S	.	.	H	α-helix	trans	-58.1	-49.8	173.1	0	0	0	0	0	111.1	S270 D271 F277 T278	S270-A274 WeakPolarHBondContact O-CB 3.34Å; S270-A274 PolarHBondContact O-N 3.22Å; D271-A274 PolarHBondContact O-N 3.4Å; A274-F277 PolarHBondContact O-N 3.5Å; A274-T278 WeakPolarHBondContact O-CB 3.25Å; A274-T278 WeakPolarHBondContact O-CG2 3.4Å; A274-T278 PolarHBondContact O-N 3.13Å; A274-T278 PolarHBondContact O-OG1 3.46Å
275	A	89.3	Confident	87.1	Confident	55 Å²	55	60.1 Å²	60.1	46%	0.455	33%	0.326	S	S	.	.	H	α-helix	trans	-61.6	-46.5	175.6	0	0	0	0	0	111.8	D271 F277 S279	D271-A275 WeakPolarHBondContact O-CB 3.42Å; D271-A275 PolarHBondContact O-N 3.28Å; A275-F277 VanDerWaalsContact C-N 3.32Å; A275-F277 PolarHBondContact O-N 2.92Å; A275-S279 VanDerWaalsContact O-CB 3.25Å; A275-S279 WeakPolarHBondContact O-CB 3.5Å; A275-S279 PolarHBondContact O-N 2.97Å; A275-S279 PolarHBondContact O-OG 2.92Å
276	M	89.3	Confident	86.7	Confident	23 Å²	23	63 Å²	63	11%	0.113	34%	0.339	C	S	.	.	H	α-helix	trans	-60.6	-36.8	179.9	178.4	-178.2	-81.4	0	0	113.3	Y272 F273 V281 E283 A284 V289	Y272-M276 HydrophobicContact CE1-CE 3.5Å; Y272-M276 VanDerWaalsContact CE1-CE 3.5Å; Y272-M276 HydrophobicContact CE1-SD 4.4Å; Y272-M276 VanDerWaalsContact O-CB 3.32Å; Y272-M276 WeakPolarHBondContact O-CB 3.33Å; Y272-M276 PolarHBondContact O-N 2.9Å; Y272-M276 VanDerWaalsContact OH-CE 3.31Å; Y272-M276 WeakPolarHBondContact OH-CE 3.37Å; F273-M276 HydrophobicContact CD1-SD 4.12Å; F273-M276 HydrophobicContact CE1-SD 4.38Å; F273-M276 PolarHBondContact O-N 3.38Å; M276-V281 VanDerWaalsContact O-CG2 3.28Å; M276-V281 WeakPolarHBondContact O-CG2 3.29Å; M276-E283 HydrophobicContact CG-CB 3.97Å; M276-E283 HydrophobicContact SD-CB 4.44Å; M276-A284 WeakPolarHBondContact O-CA 3.44Å; M276-A284 WeakPolarHBondContact O-CB 3.41Å; M276-V289 HydrophobicContact CE-CG1 4.08Å; M276-V289 HydrophobicContact SD-CG1 3.8Å
277	F	89.6	Confident	86.3	Confident	23 Å²	23	69.1 Å²	69.1	10%	0.101	37%	0.372	C	S	.	.	H	α-helix	trans	-98.9	-11.9	-174.9	-58.8	-38.1	0	0	0	114.7	V250 R263 L266 F273 A274 A275 V289	V250-F277 HydrophobicContact CG1-CZ 4.29Å; V250-F277 HydrophobicContact CG2-CE1 4.27Å; V250-F277 HydrophobicContact CG2-CZ 4.18Å; R263-F277 HydrophobicContact CB-CD2 3.9Å; R263-F277 HydrophobicContact CB-CE2 4.23Å; R263-F277 HydrophobicContact CB-CG 4.26Å; R263-F277 HydrophobicContact CG-CD1 4.25Å; R263-F277 HydrophobicContact CG-CD2 3.99Å; R263-F277 HydrophobicContact CG-CE1 4.3Å; R263-F277 HydrophobicContact CG-CE2 4.04Å; R263-F277 HydrophobicContact CG-CG 4.11Å; R263-F277 HydrophobicContact CG-CZ 4.2Å; R263-F277 VanDerWaalsContact NH1-CD1 3.3Å; L266-F277 HydrophobicContact CB-CE2 4.13Å; L266-F277 HydrophobicContact CD1-CE2 4.1Å; L266-F277 HydrophobicContact CD1-CZ 4.47Å; F273-F277 HydrophobicContact CB-CD2 4.1Å; F273-F277 HydrophobicContact CB-CE2 3.89Å; F273-F277 AromaticContact CD1-CE2 3.76Å; F273-F277 HydrophobicContact CD1-CE2 3.76Å; F273-F277 AromaticContact CD1-CZ 3.87Å; F273-F277 HydrophobicContact CD1-CZ 3.87Å; F273-F277 HydrophobicContact CE1-CZ 4.47Å; F273-F277 HydrophobicContact CG-CE2 4.1Å; F273-F277 WeakPolarHBondContact O-CB 3.4Å; F273-F277 VanDerWaalsContact O-CD2 3.25Å; F273-F277 WeakPolarHBondContact O-CD2 3.21Å; F273-F277 WeakPolarHBondContact O-CG 3.49Å; F273-F277 PolarHBondContact O-N 3.13Å; A274-F277 PolarHBondContact O-N 3.5Å; A275-F277 VanDerWaalsContact C-N 3.32Å; A275-F277 PolarHBondContact O-N 2.92Å; F277-V289 HydrophobicContact CE1-CG2 4.42Å
278	T	86.5	Confident	86.2	Confident	117 Å²	117	71.9 Å²	71.9	72%	0.718	38%	0.382	S	S	*	.	H	α-helix	trans	-110.9	-18.6	178	65.5	0	0	0	0	115	A274	A274-T278 WeakPolarHBondContact O-CB 3.25Å; A274-T278 WeakPolarHBondContact O-CG2 3.4Å; A274-T278 PolarHBondContact O-N 3.13Å; A274-T278 PolarHBondContact O-OG1 3.46Å
279	S	82.2	Confident	86.1	Confident	52 Å²	52	68.4 Å²	68.4	36%	0.364	36%	0.357	S	S	.	.	S	Bend	trans	-85.5	161.8	172.7	69.8	0	0	0	0	112.2	A275 V281 A284	A275-S279 VanDerWaalsContact O-CB 3.25Å; A275-S279 WeakPolarHBondContact O-CB 3.5Å; A275-S279 PolarHBondContact O-N 2.97Å; A275-S279 PolarHBondContact O-OG 2.92Å; S279-V281 PolarHBondContact O-N 3.25Å; S279-V281 WeakPolarHBondContact OG-CG1 3.44Å; S279-A284 VanDerWaalsContact O-CB 3.23Å; S279-A284 WeakPolarHBondContact O-CB 3.44Å
280	D	76.6	Confident	86	Confident	142 Å²	142	71.9 Å²	71.9	76%	0.759	37%	0.368	S	S	*	.	S	Bend	trans	-79.7	35.8	-174	-135.5	-13.2	0	0	0	113.6	K285	D280-K285 IonicContact OD1-NZ 2.97Å; D280-K285 PolarHBondContact OD1-NZ 2.8Å
281	V	79.6	Confident	85.6	Confident	57 Å²	57	72 Å²	72	35%	0.345	37%	0.368	S	S	.	.			trans	-79.6	166.4	176.2	-63.2	0	0	0	0	111.5	M276 S279 E283 A284	M276-V281 VanDerWaalsContact O-CG2 3.28Å; M276-V281 WeakPolarHBondContact O-CG2 3.29Å; S279-V281 PolarHBondContact O-N 3.25Å; S279-V281 WeakPolarHBondContact OG-CG1 3.44Å; V281-E283 VanDerWaalsContact C-N 3.34Å; V281-E283 HydrophobicContact CG2-CB 4.36Å; V281-A284 HydrophobicContact CG2-CB 4.05Å; V281-A284 WeakPolarHBondContact O-CB 3.26Å; V281-A284 PolarHBondContact O-N 2.78Å
282	R	74.8	Confident	85.3	Confident	184 Å²	184	73 Å²	73	69%	0.694	37%	0.37	S	S	*	.	S	Bend	trans	-70.9	-37.1	-173.5	-65.5	170.9	64.1	-136.3	1.5	111.2	A284 K285 Q286	R282-A284 PolarHBondContact O-N 3.08Å; R282-K285 PolarHBondContact O-N 3.36Å; R282-K285 VanDerWaalsContact O-N 3.08Å; R282-Q286 WeakPolarHBondContact O-CG 3.3Å
283	E	77.1	Confident	84.9	Confident	61 Å²	61	74 Å²	74	29%	0.285	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-63.1	-29.4	179.5	-60.9	66.2	-149	0	0	111.2	R263 M276 V281 K285 Q286 V289	R263-E283 PolarHBondContact NH2-O 2.78Å; M276-E283 HydrophobicContact CG-CB 3.97Å; M276-E283 HydrophobicContact SD-CB 4.44Å; V281-E283 VanDerWaalsContact C-N 3.34Å; V281-E283 HydrophobicContact CG2-CB 4.36Å; E283-K285 PolarHBondContact O-N 2.86Å; E283-K285 VanDerWaalsContact O-N 3.13Å; E283-Q286 PolarHBondContact O-N 3.42Å; E283-V289 HydrophobicContact CB-CG1 4.49Å; E283-V289 HydrophobicContact CB-CG2 4.44Å; E283-V289 HydrophobicContact CG-CG1 4.49Å
284	A	76.1	Confident	84.8	Confident	17 Å²	17	74.5 Å²	74.5	14%	0.14	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-61.1	-21.9	174.1	0	0	0	0	0	112.9	R263 M276 S279 V281 R282	R263-A284 PolarHBondContact NH1-O 3.4Å; R263-A284 PolarHBondContact NH2-O 2.8Å; M276-A284 WeakPolarHBondContact O-CA 3.44Å; M276-A284 WeakPolarHBondContact O-CB 3.41Å; S279-A284 VanDerWaalsContact O-CB 3.23Å; S279-A284 WeakPolarHBondContact O-CB 3.44Å; V281-A284 HydrophobicContact CG2-CB 4.05Å; V281-A284 WeakPolarHBondContact O-CB 3.26Å; V281-A284 PolarHBondContact O-N 2.78Å; R282-A284 PolarHBondContact O-N 3.08Å
285	K	78.6	Confident	84.8	Confident	155 Å²	155	75.9 Å²	75.9	67%	0.674	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-119	20.2	-176.8	-63.4	165.2	-169.8	162.3	0	112.8	D280 R282 E283	D280-K285 IonicContact OD1-NZ 2.97Å; D280-K285 PolarHBondContact OD1-NZ 2.8Å; R282-K285 PolarHBondContact O-N 3.36Å; R282-K285 VanDerWaalsContact O-N 3.08Å; E283-K285 PolarHBondContact O-N 2.86Å; E283-K285 VanDerWaalsContact O-N 3.13Å
286	Q	85.3	Confident	85	Confident	66 Å²	66	74.6 Å²	74.6	31%	0.308	40%	0.395	S	S	.	.			trans	-110.5	135.8	178.5	-75.9	175.1	-29.1	0	0	112.5	R263 R282 E283 V289	R263-Q286 PolarHBondContact NH2-O 3.27Å; R282-Q286 WeakPolarHBondContact O-CG 3.3Å; E283-Q286 PolarHBondContact O-N 3.42Å; Q286-V289 HydrophobicContact CB-CG2 4.41Å
287	D	84.3	Confident	85.2	Confident	133 Å²	133	78.7 Å²	78.7	71%	0.711	41%	0.414	S	S	*	.	S	Bend	trans	-73.9	-29.7	174	-54.3	-35.9	0	0	0	111.9	V250 I251	V250-D287 CarbonylContact C-O 3.58Å; I251-D287 PolarHBondContact N-O 3.2Å
288	E	91.3	Very high	85.4	Confident	87 Å²	87	77.9 Å²	77.9	41%	0.407	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	125.5	173.4	-55.8	-150.4	125.9	0	0	111.1	I251 V253 R258	I251-E288 HydrophobicContact CB-CG 4.23Å; I251-E288 CarbonylContact O-C 3.59Å; I251-E288 WeakPolarHBondContact O-CA 3.43Å; V253-E288 HydrophobicContact CG2-CB 4.31Å; R258-E288 IonicContact CZ-OE1 2.66Å; R258-E288 IonicContact NE-OE1 2.65Å; R258-E288 PolarHBondContact NE-OE1 3.33Å; R258-E288 IonicContact NH2-OE1 3.15Å; R258-E288 PolarHBondContact NH2-OE1 3.08Å
289	V	91.1	Very high	85.8	Confident	2 Å²	2	72.3 Å²	72.3	1%	0.012	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	123.8	178.7	178.6	0	0	0	0	109.5	V250 I251 L252 V253 M276 F277 E283 Q286 M291	V250-V289 HydrophobicContact CG2-CG2 3.99Å; I251-V289 PolarHBondContact O-N 2.83Å; L252-V289 CarbonylContact C-O 3.6Å; L252-V289 WeakPolarHBondContact CA-O 3.45Å; L252-V289 HydrophobicContact CD2-CB 4.21Å; V253-V289 PolarHBondContact N-O 3.01Å; M276-V289 HydrophobicContact CE-CG1 4.08Å; M276-V289 HydrophobicContact SD-CG1 3.8Å; F277-V289 HydrophobicContact CE1-CG2 4.42Å; E283-V289 HydrophobicContact CB-CG1 4.49Å; E283-V289 HydrophobicContact CB-CG2 4.44Å; E283-V289 HydrophobicContact CG-CG1 4.49Å; Q286-V289 HydrophobicContact CB-CG2 4.41Å; V289-M291 HydrophobicContact CG1-SD 4.12Å
290	K	89.9	Confident	86.3	Confident	123 Å²	123	73 Å²	73	54%	0.535	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	121.5	-178.4	-164.2	-172.7	178	-157	0	111.6	E292	K290-E292 WeakPolarHBondContact CD-OE1 3.18Å; K290-E292 WeakPolarHBondContact CE-OE1 3.47Å; K290-E292 VanDerWaalsContact CE-OE2 3.26Å; K290-E292 WeakPolarHBondContact CE-OE2 3.5Å; K290-E292 IonicContact NZ-OE1 3.79Å; K290-E292 PolarHBondContact NZ-OE1 3.23Å; K290-E292 IonicContact NZ-OE2 3.61Å; K290-E292 PolarHBondContact NZ-OE2 3.2Å; K290-E292 PolarHBondContact O-N 3.22Å
291	M	88.5	Confident	87.2	Confident	7 Å²	7	68.4 Å²	68.4	3%	0.034	35%	0.349	C	S	.	.			trans	-96.6	85.2	-178.9	-57	-57	-62.4	0	0	110	L252 V253 A254 Y272 F273 V289 V294 L299 L328	L252-M291 HydrophobicContact CB-CG 4.26Å; L252-M291 HydrophobicContact CD2-SD 4.32Å; V253-M291 PolarHBondContact O-N 2.8Å; A254-M291 HydrophobicContact CB-CB 4.33Å; Y272-M291 HydrophobicContact CE1-CE 3.85Å; F273-M291 HydrophobicContact CE1-CE 4.23Å; F273-M291 HydrophobicContact CE1-SD 4.38Å; F273-M291 HydrophobicContact CZ-CE 4.3Å; V289-M291 HydrophobicContact CG1-SD 4.12Å; M291-V294 HydrophobicContact CB-CB 4.35Å; M291-V294 HydrophobicContact CB-CG2 4.03Å; M291-V294 HydrophobicContact CE-CG2 4.49Å; M291-L299 HydrophobicContact CB-CD2 4.11Å; M291-L299 HydrophobicContact CG-CD2 3.85Å; M291-L328 HydrophobicContact CE-CD2 3.73Å
292	E	85.1	Confident	88	Confident	131 Å²	131	65.9 Å²	65.9	61%	0.612	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	140.6	178.1	-60	-72.8	-159.1	0	0	111.6	K290 V294	K290-E292 WeakPolarHBondContact CD-OE1 3.18Å; K290-E292 WeakPolarHBondContact CE-OE1 3.47Å; K290-E292 VanDerWaalsContact CE-OE2 3.26Å; K290-E292 WeakPolarHBondContact CE-OE2 3.5Å; K290-E292 IonicContact NZ-OE1 3.79Å; K290-E292 PolarHBondContact NZ-OE1 3.23Å; K290-E292 IonicContact NZ-OE2 3.61Å; K290-E292 PolarHBondContact NZ-OE2 3.2Å; K290-E292 PolarHBondContact O-N 3.22Å; E292-V294 PolarHBondContact O-N 3.21Å
293	G	83.1	Confident	88.9	Confident	89 Å²	89	57.2 Å²	57.2	92%	0.918	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	-4.5	175.6	0	0	0	0	0	116.3
294	V	91.2	Very high	89.7	Confident	16 Å²	16	57.8 Å²	57.8	10%	0.097	30%	0.304	C	S	.	.			trans	-90.9	139.7	179.5	-164.7	0	0	0	0	111.2	M291 E292 L299 A324 L327	M291-V294 HydrophobicContact CB-CB 4.35Å; M291-V294 HydrophobicContact CB-CG2 4.03Å; M291-V294 HydrophobicContact CE-CG2 4.49Å; E292-V294 PolarHBondContact O-N 3.21Å; V294-L299 HydrophobicContact CG1-CB 3.92Å; V294-A324 HydrophobicContact CG1-CB 3.82Å; V294-L327 HydrophobicContact CG2-CD2 3.55Å
295	D	92.4	Very high	90.6	Very high	53 Å²	53	59 Å²	59	28%	0.283	31%	0.305	S	S	.	.			trans	-72.1	132.2	173.5	179.5	-83.9	0	0	0	111.3	E297 A298 L299	D295-E297 PolarHBondContact O-N 3.41Å; D295-E297 PolarHBondContact OD1-N 3.26Å; D295-A298 HydrophobicContact CB-CB 3.89Å; D295-A298 PolarHBondContact O-N 3.42Å; D295-A298 PolarHBondContact OD1-N 3.01Å; D295-L299 PolarHBondContact O-N 2.93Å
296	P	93.3	Very high	91.3	Very high	29 Å²	29	52.1 Å²	52.1	19%	0.188	28%	0.277	C	S	.	.	H	α-helix	trans	-64.7	-32.9	-174.4	-23.9	34.5	0	0	0	115.2	A254 R257 W300	A254-P296 HydrophobicContact CB-CB 4.5Å; A254-P296 HydrophobicContact CB-CG 4.5Å; R257-P296 HydrophobicContact CB-CB 3.86Å; P296-W300 WeakPolarHBondContact O-CB 3.5Å; P296-W300 PolarHBondContact O-N 2.96Å
297	E	92.4	Very high	91.7	Very high	109 Å²	109	49.2 Å²	49.2	51%	0.509	26%	0.263	S	S	.	.	H	α-helix	trans	-78.1	-41.8	177.9	-62.8	-50.1	119.6	0	0	110.5	R257 D295 L299 W300 V301	R257-E297 IonicContact CZ-OE1 3.78Å; R257-E297 IonicContact CZ-OE2 2.64Å; R257-E297 IonicContact NH1-OE1 2.77Å; R257-E297 PolarHBondContact NH1-OE1 3.21Å; R257-E297 IonicContact NH1-OE2 2.76Å; R257-E297 PolarHBondContact NH1-OE2 2.71Å; D295-E297 PolarHBondContact O-N 3.41Å; D295-E297 PolarHBondContact OD1-N 3.26Å; E297-L299 PolarHBondContact O-N 3.26Å; E297-W300 PolarHBondContact O-N 3.42Å; E297-V301 WeakPolarHBondContact O-CG2 3.49Å; E297-V301 PolarHBondContact O-N 3.08Å
298	A	94.3	Very high	92.1	Very high	5 Å²	5	45.1 Å²	45.1	4%	0.041	24%	0.243	C	C	.	.	H	α-helix	trans	-59.2	-46	174.4	0	0	0	0	0	111.6	D295 W300 V301 L302 A324	D295-A298 HydrophobicContact CB-CB 3.89Å; D295-A298 PolarHBondContact O-N 3.42Å; D295-A298 PolarHBondContact OD1-N 3.01Å; A298-W300 PolarHBondContact O-N 3.37Å; A298-V301 PolarHBondContact O-N 3.4Å; A298-L302 WeakPolarHBondContact O-CB 3.46Å; A298-L302 VanDerWaalsContact O-CG 3.24Å; A298-L302 WeakPolarHBondContact O-CG 3.48Å; A298-L302 PolarHBondContact O-N 3.02Å; A298-A324 HydrophobicContact CB-CB 3.96Å
299	L	95	Very high	92.1	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.2	-44	176.9	-177.6	60.9	0	0	0	111.6	L252 A254 I259 M291 V294 D295 E297 V301 L302 V303 L328	L252-L299 HydrophobicContact CB-CD2 4.14Å; L252-L299 HydrophobicContact CD1-CD1 4.2Å; L252-L299 HydrophobicContact CD1-CD2 4.41Å; A254-L299 HydrophobicContact CB-CD2 3.6Å; I259-L299 HydrophobicContact CD1-CB 4.28Å; I259-L299 HydrophobicContact CD1-CD2 4.05Å; I259-L299 HydrophobicContact CD1-CG 3.97Å; M291-L299 HydrophobicContact CB-CD2 4.11Å; M291-L299 HydrophobicContact CG-CD2 3.85Å; V294-L299 HydrophobicContact CG1-CB 3.92Å; D295-L299 PolarHBondContact O-N 2.93Å; E297-L299 PolarHBondContact O-N 3.26Å; L299-V301 PolarHBondContact O-N 2.82Å; L299-L302 PolarHBondContact O-N 2.93Å; L299-V303 HydrophobicContact CD1-CG2 4.38Å; L299-V303 WeakPolarHBondContact O-CG2 3.36Å; L299-V303 PolarHBondContact O-N 3.08Å; L299-L328 HydrophobicContact CD1-CD1 3.82Å
300	W	93.1	Very high	92.1	Very high	66 Å²	66	53 Å²	53	25%	0.25	29%	0.288	C	S	.	.	H	α-helix	trans	-60	-46.3	177.1	171.2	-104.1	0	0	0	112.4	R257 I259 P296 E297 A298 L302 V303 Q304	R257-W300 VanDerWaalsContact CZ-CG 3.42Å; R257-W300 VanDerWaalsContact NH2-CD1 3.26Å; I259-W300 HydrophobicContact CD1-CB 3.95Å; I259-W300 HydrophobicContact CD1-CE3 4.38Å; I259-W300 HydrophobicContact CG1-CE3 4.12Å; I259-W300 HydrophobicContact CG2-CE3 3.8Å; I259-W300 HydrophobicContact CG2-CZ3 4.07Å; P296-W300 WeakPolarHBondContact O-CB 3.5Å; P296-W300 PolarHBondContact O-N 2.96Å; E297-W300 PolarHBondContact O-N 3.42Å; A298-W300 PolarHBondContact O-N 3.37Å; W300-L302 VanDerWaalsContact C-N 3.35Å; W300-L302 PolarHBondContact O-N 2.68Å; W300-V303 PolarHBondContact O-N 3.38Å; W300-Q304 HydrophobicContact CD2-CG 4.28Å; W300-Q304 VanDerWaalsContact CE2-CD 3.48Å; W300-Q304 HydrophobicContact CH2-CG 4.48Å; W300-Q304 HydrophobicContact CZ2-CG 3.89Å; W300-Q304 WeakPolarHBondContact O-CG 3.39Å; W300-Q304 PolarHBondContact O-N 3.24Å
301	V	94.7	Very high	92.3	Very high	46 Å²	46	49.5 Å²	49.5	28%	0.279	27%	0.274	S	S	.	.	H	α-helix	trans	-64.5	-38.4	178.5	170.6	0	0	0	0	111.5	E297 A298 L299 Q304 Y305 L311 L321	E297-V301 WeakPolarHBondContact O-CG2 3.49Å; E297-V301 PolarHBondContact O-N 3.08Å; A298-V301 PolarHBondContact O-N 3.4Å; L299-V301 PolarHBondContact O-N 2.82Å; V301-Q304 PolarHBondContact O-N 3.46Å; V301-Y305 WeakPolarHBondContact O-CB 3.5Å; V301-Y305 PolarHBondContact O-N 3.39Å; V301-L311 HydrophobicContact CG1-CD1 3.4Å; V301-L311 VanDerWaalsContact CG1-CD1 3.4Å; V301-L321 HydrophobicContact CG1-CD1 4.14Å
302	L	95.8	Very high	92.5	Very high	4 Å²	4	55.4 Å²	55.4	2%	0.021	30%	0.302	C	S	.	.	H	α-helix	trans	-69.8	-34.8	175.9	-66.5	172.9	0	0	0	112.7	A298 L299 W300 Y305 A306 L321 A324 L328 L330 V333	A298-L302 WeakPolarHBondContact O-CB 3.46Å; A298-L302 VanDerWaalsContact O-CG 3.24Å; A298-L302 WeakPolarHBondContact O-CG 3.48Å; A298-L302 PolarHBondContact O-N 3.02Å; L299-L302 PolarHBondContact O-N 2.93Å; W300-L302 VanDerWaalsContact C-N 3.35Å; W300-L302 PolarHBondContact O-N 2.68Å; L302-Y305 WeakPolarHBondContact O-CB 3.39Å; L302-Y305 PolarHBondContact O-N 3.04Å; L302-A306 PolarHBondContact O-N 3.49Å; L302-L321 HydrophobicContact CD1-CD1 4.34Å; L302-L321 HydrophobicContact CD2-CD1 3.61Å; L302-L321 HydrophobicContact CG-CD1 3.79Å; L302-A324 HydrophobicContact CD1-CB 3.51Å; L302-L328 HydrophobicContact CD1-CD1 4.09Å; L302-L330 HydrophobicContact CB-CD1 3.97Å; L302-L330 HydrophobicContact CD1-CD1 4.13Å; L302-L330 HydrophobicContact CD2-CD1 3.81Å; L302-L330 HydrophobicContact CG-CD1 4.17Å; L302-V333 HydrophobicContact CD2-CB 4.42Å; L302-V333 HydrophobicContact CD2-CG1 3.79Å; L302-V333 HydrophobicContact CD2-CG2 4.27Å
303	V	94.6	Very high	92.8	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.012	28%	0.284	C	S	.	.	H	α-helix	trans	-64.5	-45.8	169.3	172.4	0	0	0	0	110.1	L252 I259 A261 L266 L299 W300 Y305 A306 Y307	L252-V303 HydrophobicContact CD1-CG2 4.05Å; I259-V303 HydrophobicContact CG2-CB 4.39Å; I259-V303 HydrophobicContact CG2-CG1 4.15Å; I259-V303 HydrophobicContact CG2-CG2 4.23Å; A261-V303 HydrophobicContact CB-CG1 4.36Å; L266-V303 HydrophobicContact CD2-CG2 4.27Å; L299-V303 HydrophobicContact CD1-CG2 4.38Å; L299-V303 WeakPolarHBondContact O-CG2 3.36Å; L299-V303 PolarHBondContact O-N 3.08Å; W300-V303 PolarHBondContact O-N 3.38Å; V303-Y305 VanDerWaalsContact C-N 3.3Å; V303-Y305 PolarHBondContact O-N 3.21Å; V303-A306 WeakPolarHBondContact O-CB 3.21Å; V303-A306 PolarHBondContact O-N 2.87Å; V303-A306 VanDerWaalsContact O-N 3.13Å; V303-Y307 HydrophobicContact CG1-CE2 4.17Å; V303-Y307 VanDerWaalsContact O-CD2 3.31Å; V303-Y307 WeakPolarHBondContact O-CD2 3.37Å
304	Q	93.2	Very high	93.2	Very high	73 Å²	73	51.3 Å²	51.3	34%	0.341	26%	0.258	S	S	.	.	H	α-helix	trans	-61.3	-37.2	176	-70.4	-167.4	-67.3	0	0	112.8	W300 V301 A306 Y307 T308	W300-Q304 HydrophobicContact CD2-CG 4.28Å; W300-Q304 VanDerWaalsContact CE2-CD 3.48Å; W300-Q304 HydrophobicContact CH2-CG 4.48Å; W300-Q304 HydrophobicContact CZ2-CG 3.89Å; W300-Q304 WeakPolarHBondContact O-CG 3.39Å; W300-Q304 PolarHBondContact O-N 3.24Å; V301-Q304 PolarHBondContact O-N 3.46Å; Q304-A306 VanDerWaalsContact C-N 3.33Å; Q304-A306 PolarHBondContact O-N 3.18Å; Q304-Y307 PolarHBondContact O-N 2.74Å; Q304-T308 WeakPolarHBondContact O-CB 3.47Å; Q304-T308 WeakPolarHBondContact O-CG2 3.35Å; Q304-T308 PolarHBondContact O-N 3.31Å; Q304-T308 PolarHBondContact O-OG1 3.08Å
305	Y	95.2	Very high	93	Very high	44 Å²	44	54.7 Å²	54.7	17%	0.173	27%	0.273	C	S	.	.	H	α-helix	trans	-57.9	-43.4	173.2	166.3	-100.8	0	0	0	111.7	V269 V301 L302 V303 Y307 T308 G309 L311 V333	V269-Y305 HydrophobicContact CG1-CD1 4.48Å; V269-Y305 HydrophobicContact CG1-CE1 4.04Å; V301-Y305 WeakPolarHBondContact O-CB 3.5Å; V301-Y305 PolarHBondContact O-N 3.39Å; L302-Y305 WeakPolarHBondContact O-CB 3.39Å; L302-Y305 PolarHBondContact O-N 3.04Å; V303-Y305 VanDerWaalsContact C-N 3.3Å; V303-Y305 PolarHBondContact O-N 3.21Å; Y305-Y307 PolarHBondContact O-N 3.11Å; Y305-Y307 VanDerWaalsContact O-N 3.14Å; Y305-T308 PolarHBondContact O-N 3.22Å; Y305-T308 VanDerWaalsContact O-N 3.11Å; Y305-G309 WeakPolarHBondContact O-CA 3.49Å; Y305-G309 PolarHBondContact O-N 3.36Å; Y305-L311 HydrophobicContact CD2-CB 4.1Å; Y305-V333 HydrophobicContact CD1-CG2 3.7Å; Y305-V333 HydrophobicContact CD2-CG2 4.35Å; Y305-V333 HydrophobicContact CE1-CG2 3.4Å; Y305-V333 VanDerWaalsContact CE1-CG2 3.4Å; Y305-V333 HydrophobicContact CE2-CG2 4.1Å; Y305-V333 HydrophobicContact CG-CG2 4.17Å
306	A	94.4	Very high	92.8	Very high	10 Å²	10	57.7 Å²	57.7	8%	0.083	29%	0.289	C	S	.	.	H	α-helix	trans	-62.2	-21.4	-179.3	0	0	0	0	0	114.7	V265 L266 V269 L302 V303 Q304	V265-A306 HydrophobicContact CG1-CB 4.37Å; L266-A306 HydrophobicContact CD2-CB 4.44Å; V269-A306 HydrophobicContact CB-CB 4.21Å; V269-A306 HydrophobicContact CG1-CB 4.2Å; V269-A306 HydrophobicContact CG2-CB 4.15Å; L302-A306 PolarHBondContact O-N 3.49Å; V303-A306 WeakPolarHBondContact O-CB 3.21Å; V303-A306 PolarHBondContact O-N 2.87Å; V303-A306 VanDerWaalsContact O-N 3.13Å; Q304-A306 VanDerWaalsContact C-N 3.33Å; Q304-A306 PolarHBondContact O-N 3.18Å
307	Y	93.1	Very high	92.8	Very high	4 Å²	4	58.6 Å²	58.6	2%	0.016	29%	0.294	C	S	.	.	H	α-helix	trans	-98.3	-19.9	174.5	-69.6	-96	0	0	0	114.2	M238 L242 H262 V265 V303 Q304 Y305	M238-Y307 HydrophobicContact CB-CD1 3.92Å; M238-Y307 HydrophobicContact CB-CE1 4.11Å; L242-Y307 HydrophobicContact CB-CD1 4.46Å; L242-Y307 HydrophobicContact CB-CE1 4.26Å; L242-Y307 HydrophobicContact CD1-CE2 3.98Å; L242-Y307 HydrophobicContact CD2-CD2 3.69Å; L242-Y307 HydrophobicContact CD2-CE2 3.84Å; L242-Y307 HydrophobicContact CD2-CG 4.08Å; L242-Y307 HydrophobicContact CG-CE2 4.4Å; H262-Y307 VanDerWaalsContact CB-OH 3.24Å; H262-Y307 WeakPolarHBondContact CB-OH 3.4Å; H262-Y307 PolarHBondContact N-OH 3.4Å; H262-Y307 AromaticContact ND1-CE1 3.95Å; H262-Y307 AromaticContact ND1-CZ 3.78Å; H262-Y307 PolarHBondContact ND1-OH 2.84Å; V265-Y307 HydrophobicContact CB-CE1 4.02Å; V265-Y307 HydrophobicContact CB-CE2 4.44Å; V265-Y307 HydrophobicContact CG1-CD1 4.03Å; V265-Y307 HydrophobicContact CG1-CD2 4.13Å; V265-Y307 HydrophobicContact CG1-CE1 3.79Å; V265-Y307 HydrophobicContact CG1-CE2 3.88Å; V265-Y307 HydrophobicContact CG1-CG 4.19Å; V265-Y307 HydrophobicContact CG2-CD1 4.48Å; V265-Y307 HydrophobicContact CG2-CE1 3.79Å; V303-Y307 HydrophobicContact CG1-CE2 4.17Å; V303-Y307 VanDerWaalsContact O-CD2 3.31Å; V303-Y307 WeakPolarHBondContact O-CD2 3.37Å; Q304-Y307 PolarHBondContact O-N 2.74Å; Y305-Y307 PolarHBondContact O-N 3.11Å; Y305-Y307 VanDerWaalsContact O-N 3.14Å
308	T	92.4	Very high	92.8	Very high	47 Å²	47	53.7 Å²	53.7	29%	0.288	27%	0.272	S	S	.	.	H	α-helix	trans	-118	-17.9	-168.3	61.8	0	0	0	0	114.5	E239 Q304 Y305 R310	E239-T308 HydrophobicContact CG-CG2 3.98Å; Q304-T308 WeakPolarHBondContact O-CB 3.47Å; Q304-T308 WeakPolarHBondContact O-CG2 3.35Å; Q304-T308 PolarHBondContact O-N 3.31Å; Q304-T308 PolarHBondContact O-OG1 3.08Å; Y305-T308 PolarHBondContact O-N 3.22Å; Y305-T308 VanDerWaalsContact O-N 3.11Å; T308-R310 PolarHBondContact O-N 2.82Å; T308-R310 PolarHBondContact OG1-N 2.74Å
309	G	90.9	Very high	92.6	Very high	60 Å²	60	56.6 Å²	56.6	62%	0.619	28%	0.284	S	S	*	.	S	Bend	trans	63.4	9.9	-169.6	0	0	0	0	0	114.2	Y305	Y305-G309 WeakPolarHBondContact O-CA 3.49Å; Y305-G309 PolarHBondContact O-N 3.36Å
310	R	91.3	Very high	92.5	Very high	196 Å²	196	58 Å²	58	74%	0.74	29%	0.294	S	S	*	.			trans	-116.2	143.1	-172.7	-69.5	176.9	-178.7	-157.2	-2.5	111	T308	T308-R310 PolarHBondContact O-N 2.82Å; T308-R310 PolarHBondContact OG1-N 2.74Å
311	L	93.6	Very high	92.6	Very high	48 Å²	48	55 Å²	55	25%	0.251	28%	0.283	S	S	.	.			trans	-146.5	133.2	-177.9	-175.2	69.4	0	0	0	109.6	V301 Y305 L313 L321 V333	V301-L311 HydrophobicContact CG1-CD1 3.4Å; V301-L311 VanDerWaalsContact CG1-CD1 3.4Å; Y305-L311 HydrophobicContact CD2-CB 4.1Å; L311-L313 HydrophobicContact CD2-CD2 3.6Å; L311-L313 HydrophobicContact CG-CD2 3.94Å; L311-L321 HydrophobicContact CD1-CD1 4.12Å; L311-L321 HydrophobicContact CD1-CD2 4.09Å; L311-L321 HydrophobicContact CD2-CD2 4.22Å; L311-L321 HydrophobicContact CG-CD2 4.36Å; L311-V333 HydrophobicContact CD2-CB 4.36Å; L311-V333 HydrophobicContact CD2-CG1 3.51Å; L311-V333 HydrophobicContact CD2-CG2 4.2Å
312	E	92.6	Very high	92.6	Very high	131 Å²	131	52.8 Å²	52.8	61%	0.612	27%	0.27	S	S	*	.			trans	-102.6	116.1	174.8	-167.3	-173	-175.3	0	0	108.4	K314	E312-K314 WeakPolarHBondContact OE1-CE 3.24Å; E312-K314 IonicContact OE1-NZ 2.7Å; E312-K314 PolarHBondContact OE1-NZ 3.27Å; E312-K314 WeakPolarHBondContact OE2-CE 3.33Å; E312-K314 IonicContact OE2-NZ 3.75Å; E312-K314 PolarHBondContact OE2-NZ 3.32Å
313	L	93.4	Very high	92.5	Very high	48 Å²	48	54.5 Å²	54.5	25%	0.251	28%	0.282	S	S	.	.			trans	-93	125.7	179.2	-60	-177.9	0	0	0	109.8	L311 I318 L321 A336 F340	L311-L313 HydrophobicContact CD2-CD2 3.6Å; L311-L313 HydrophobicContact CG-CD2 3.94Å; L313-I318 HydrophobicContact CD2-CD1 4.04Å; L313-L321 HydrophobicContact CD2-CD2 3.55Å; L313-A336 HydrophobicContact CD1-CB 4.38Å; L313-F340 HydrophobicContact CB-CD2 3.96Å; L313-F340 HydrophobicContact CB-CE2 4.17Å; L313-F340 HydrophobicContact CB-CG 4.3Å; L313-F340 HydrophobicContact CD1-CB 3.76Å; L313-F340 HydrophobicContact CD1-CD2 4.14Å; L313-F340 HydrophobicContact CD1-CG 4.13Å
314	K	91.2	Very high	92.5	Very high	86 Å²	86	54.5 Å²	54.5	37%	0.374	28%	0.282	S	S	.	.			trans	-128.6	145.3	177.5	-62.7	175.3	174.2	147.6	0	110.2	E312 D316 T317 I318	E312-K314 WeakPolarHBondContact OE1-CE 3.24Å; E312-K314 IonicContact OE1-NZ 2.7Å; E312-K314 PolarHBondContact OE1-NZ 3.27Å; E312-K314 WeakPolarHBondContact OE2-CE 3.33Å; E312-K314 IonicContact OE2-NZ 3.75Å; E312-K314 PolarHBondContact OE2-NZ 3.32Å; K314-D316 WeakPolarHBondContact CB-OD1 3.29Å; K314-D316 PolarHBondContact O-N 2.92Å; K314-T317 PolarHBondContact O-N 3.38Å; K314-T317 PolarHBondContact O-OG1 3.29Å; K314-I318 WeakPolarHBondContact O-CB 3.16Å; K314-I318 PolarHBondContact O-N 2.94Å
315	E	87.1	Confident	92.6	Very high	87 Å²	87	51 Å²	51	41%	0.407	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-24.6	-173.4	-58.5	172.6	174.8	0	0	112.7	W24 F340 Q344	W24-E315 HydrophobicContact CH2-CB 3.35Å; W24-E315 HydrophobicContact CH2-CG 4.35Å; W24-E315 VanDerWaalsContact CH2-OE2 3.24Å; W24-E315 WeakPolarHBondContact CH2-OE2 3.31Å; W24-E315 HydrophobicContact CZ2-CB 3.35Å; W24-E315 HydrophobicContact CZ2-CG 4.25Å; W24-E315 VanDerWaalsContact CZ2-OE2 3.22Å; W24-E315 WeakPolarHBondContact CZ2-OE2 3.47Å; W24-E315 HydrophobicContact CZ3-CB 4.3Å; E315-F340 HydrophobicContact CG-CE1 3.86Å; E315-F340 HydrophobicContact CG-CZ 3.62Å; E315-Q344 PolarHBondContact OE1-NE2 3.11Å
316	D	88.2	Confident	92.5	Very high	116 Å²	116	50.5 Å²	50.5	62%	0.62	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-19.4	177.5	67	-36.6	0	0	0	114.4	W24 K314	W24-D316 HydrophobicContact CZ3-CB 4.24Å; K314-D316 WeakPolarHBondContact CB-OD1 3.29Å; K314-D316 PolarHBondContact O-N 2.92Å
317	T	91.5	Very high	92.4	Very high	48 Å²	48	53.8 Å²	53.8	29%	0.294	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	-10.4	179	65.1	0	0	0	0	114.2	K314 E319 S320 L321	K314-T317 PolarHBondContact O-N 3.38Å; K314-T317 PolarHBondContact O-OG1 3.29Å; T317-E319 VanDerWaalsContact C-N 3.25Å; T317-E319 PolarHBondContact O-N 3.15Å; T317-S320 PolarHBondContact O-N 3.39Å; T317-S320 PolarHBondContact O-OG 2.66Å; T317-L321 VanDerWaalsContact O-CB 3.27Å; T317-L321 WeakPolarHBondContact O-CB 3.45Å; T317-L321 PolarHBondContact O-N 3.44Å
318	I	93.2	Very high	92.4	Very high	7 Å²	7	53.7 Å²	53.7	4%	0.036	28%	0.284	C	S	.	.	H	α-helix	trans	-58.5	-33.1	-173.6	-164.5	65.8	0	0	0	113.6	L313 K314 L322 C337 F340 L341	L313-I318 HydrophobicContact CD2-CD1 4.04Å; K314-I318 WeakPolarHBondContact O-CB 3.16Å; K314-I318 PolarHBondContact O-N 2.94Å; I318-L322 WeakPolarHBondContact O-CB 3.43Å; I318-L322 PolarHBondContact O-N 2.91Å; I318-C337 HydrophobicContact CD1-CB 3.76Å; I318-F340 HydrophobicContact CD1-CB 4.49Å; I318-F340 HydrophobicContact CD1-CD1 3.93Å; I318-F340 HydrophobicContact CD1-CG 4.42Å; I318-F340 HydrophobicContact CG1-CD1 3.97Å; I318-F340 HydrophobicContact CG1-CE1 4.43Å; I318-L341 HydrophobicContact CG1-CD1 4.17Å; I318-L341 HydrophobicContact CG1-CD2 3.97Å; I318-L341 HydrophobicContact CG1-CG 3.91Å; I318-L341 HydrophobicContact CG2-CD2 3.89Å
319	E	90.8	Very high	92.5	Very high	65 Å²	65	56.3 Å²	56.3	30%	0.304	29%	0.293	S	S	.	.	H	α-helix	trans	-64.7	-57.1	176.6	-68.5	-178.4	-173.5	0	0	111.4	L20 T317 L321 L322 S323 Y356	L20-E319 WeakPolarHBondContact CD1-OE1 3.48Å; T317-E319 VanDerWaalsContact C-N 3.25Å; T317-E319 PolarHBondContact O-N 3.15Å; E319-L321 VanDerWaalsContact C-N 3.29Å; E319-L321 PolarHBondContact O-N 2.97Å; E319-L322 PolarHBondContact O-N 3.4Å; E319-S323 WeakPolarHBondContact O-CB 3.24Å; E319-S323 PolarHBondContact O-N 3.02Å; E319-S323 PolarHBondContact O-OG 3.37Å; E319-Y356 PolarHBondContact O-OH 3.49Å
320	S	93.2	Very high	92.6	Very high	29 Å²	29	54 Å²	54	20%	0.203	27%	0.266	C	S	.	.	H	α-helix	trans	-65.1	-35.4	-178.7	53.8	0	0	0	0	111.9	T317 A324	T317-S320 PolarHBondContact O-N 3.39Å; T317-S320 PolarHBondContact O-OG 2.66Å; S320-A324 VanDerWaalsContact O-CB 3.22Å; S320-A324 WeakPolarHBondContact O-CB 3.38Å; S320-A324 PolarHBondContact O-N 2.7Å
321	L	95.2	Very high	92.7	Very high	4 Å²	4	48.2 Å²	48.2	2%	0.021	26%	0.256	C	S	.	.	H	α-helix	trans	-66.6	-42.5	176.1	-172.3	65.1	0	0	0	112.8	V301 L302 L311 L313 T317 E319 S325	V301-L321 HydrophobicContact CG1-CD1 4.14Å; L302-L321 HydrophobicContact CD1-CD1 4.34Å; L302-L321 HydrophobicContact CD2-CD1 3.61Å; L302-L321 HydrophobicContact CG-CD1 3.79Å; L311-L321 HydrophobicContact CD1-CD1 4.12Å; L311-L321 HydrophobicContact CD1-CD2 4.09Å; L311-L321 HydrophobicContact CD2-CD2 4.22Å; L311-L321 HydrophobicContact CG-CD2 4.36Å; L313-L321 HydrophobicContact CD2-CD2 3.55Å; T317-L321 VanDerWaalsContact O-CB 3.27Å; T317-L321 WeakPolarHBondContact O-CB 3.45Å; T317-L321 PolarHBondContact O-N 3.44Å; E319-L321 VanDerWaalsContact C-N 3.29Å; E319-L321 PolarHBondContact O-N 2.97Å; L321-S325 WeakPolarHBondContact O-CB 3.22Å; L321-S325 PolarHBondContact O-N 3.26Å; L321-S325 PolarHBondContact O-OG 3.16Å
322	L	94.4	Very high	92.8	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-69.7	-45.6	176	-178.6	47.9	0	0	0	111	I318 E319 A324 S325 C326 V334 C337 L341 Y356 L365	I318-L322 WeakPolarHBondContact O-CB 3.43Å; I318-L322 PolarHBondContact O-N 2.91Å; E319-L322 PolarHBondContact O-N 3.4Å; L322-A324 VanDerWaalsContact C-N 3.32Å; L322-A324 PolarHBondContact O-N 2.9Å; L322-S325 WeakPolarHBondContact CA-OG 3.35Å; L322-S325 PolarHBondContact O-N 2.94Å; L322-S325 PolarHBondContact O-OG 3.5Å; L322-S325 VanDerWaalsContact O-OG 3.13Å; L322-C326 WeakPolarHBondContact O-CB 3.45Å; L322-C326 PolarHBondContact O-N 3.13Å; L322-C326 PolarHBondContact O-SG 3.45Å; L322-C326 VanDerWaalsContact O-SG 3.37Å; L322-V334 HydrophobicContact CD1-CB 4.28Å; L322-V334 HydrophobicContact CD1-CG1 3.97Å; L322-V334 HydrophobicContact CD1-CG2 4.26Å; L322-C337 HydrophobicContact CB-CB 4.1Å; L322-C337 HydrophobicContact CD1-CB 3.99Å; L322-C337 HydrophobicContact CD2-CB 4.23Å; L322-C337 HydrophobicContact CG-CB 4.33Å; L322-L341 HydrophobicContact CD2-CD1 3.66Å; L322-Y356 HydrophobicContact CD2-CE1 4.05Å; L322-Y356 HydrophobicContact CG-CE1 4.39Å; L322-L365 HydrophobicContact CD2-CD2 4.31Å
323	S	93.3	Very high	92.9	Very high	39 Å²	39	43.4 Å²	43.4	27%	0.273	24%	0.241	S	C	.	.	H	α-helix	trans	-55	-46.2	174.5	-73.3	0	0	0	0	112.1	E319 L327 Y356 Q360	E319-S323 WeakPolarHBondContact O-CB 3.24Å; E319-S323 PolarHBondContact O-N 3.02Å; E319-S323 PolarHBondContact O-OG 3.37Å; S323-L327 PolarHBondContact O-N 3.12Å; S323-L327 VanDerWaalsContact O-N 3.16Å; S323-Y356 PolarHBondContact N-OH 3.16Å; S323-Y356 PolarHBondContact OG-OH 2.94Å; S323-Q360 PolarHBondContact OG-NE2 2.91Å; S323-Q360 VanDerWaalsContact OG-NE2 3.08Å
324	A	94.4	Very high	93	Very high	3 Å²	3	42.4 Å²	42.4	3%	0.025	24%	0.236	C	C	.	.	H	α-helix	trans	-70.4	-38.9	180	0	0	0	0	0	112.8	V294 A298 L302 S320 L322 L327 L328	V294-A324 HydrophobicContact CG1-CB 3.82Å; A298-A324 HydrophobicContact CB-CB 3.96Å; L302-A324 HydrophobicContact CD1-CB 3.51Å; S320-A324 VanDerWaalsContact O-CB 3.22Å; S320-A324 WeakPolarHBondContact O-CB 3.38Å; S320-A324 PolarHBondContact O-N 2.7Å; L322-A324 VanDerWaalsContact C-N 3.32Å; L322-A324 PolarHBondContact O-N 2.9Å; A324-L327 PolarHBondContact O-N 3.27Å; A324-L328 WeakPolarHBondContact O-CB 3.26Å; A324-L328 VanDerWaalsContact O-CG 3.26Å; A324-L328 WeakPolarHBondContact O-CG 3.47Å; A324-L328 PolarHBondContact O-N 3.47Å
325	S	94.7	Very high	93.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-71.5	-31.8	177.5	53.2	0	0	0	0	113.2	L321 L322 Q329 L330	L321-S325 WeakPolarHBondContact O-CB 3.22Å; L321-S325 PolarHBondContact O-N 3.26Å; L321-S325 PolarHBondContact O-OG 3.16Å; L322-S325 WeakPolarHBondContact CA-OG 3.35Å; L322-S325 PolarHBondContact O-N 2.94Å; L322-S325 PolarHBondContact O-OG 3.5Å; L322-S325 VanDerWaalsContact O-OG 3.13Å; S325-Q329 PolarHBondContact O-N 2.93Å; S325-Q329 VanDerWaalsContact O-N 3.08Å; S325-L330 PolarHBondContact O-N 3.33Å
326	C	93	Very high	93.5	Very high	32 Å²	32	42.3 Å²	42.3	22%	0.216	24%	0.244	C	C	.	.	H	α-helix	trans	-62.3	-49.8	168.4	-74.3	0	0	0	0	111.7	L322 L328 Q329 C362	L322-C326 WeakPolarHBondContact O-CB 3.45Å; L322-C326 PolarHBondContact O-N 3.13Å; L322-C326 PolarHBondContact O-SG 3.45Å; L322-C326 VanDerWaalsContact O-SG 3.37Å; C326-L328 VanDerWaalsContact C-N 3.34Å; C326-L328 PolarHBondContact O-N 2.95Å; C326-Q329 PolarHBondContact O-N 3.34Å; C326-Q329 VanDerWaalsContact O-N 3.15Å; C326-C362 VanDerWaalsContact SG-SG 3.67Å
327	L	92.8	Very high	93.9	Very high	80 Å²	80	36.8 Å²	36.8	42%	0.419	21%	0.214	S	C	.	.	H	α-helix	trans	-61.3	-41.8	179	-176.6	69.9	0	0	0	112.3	Y272 V294 S323 A324 Q329	Y272-L327 WeakPolarHBondContact CD2-O 3.38Å; V294-L327 HydrophobicContact CG2-CD2 3.55Å; S323-L327 PolarHBondContact O-N 3.12Å; S323-L327 VanDerWaalsContact O-N 3.16Å; A324-L327 PolarHBondContact O-N 3.27Å; L327-Q329 PolarHBondContact O-N 3.22Å
328	L	93	Very high	94.1	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	6.5	179.2	-60.3	177.9	0	0	0	113.6	S270 Y272 F273 M291 L299 L302 A324 C326 L330	S270-L328 PolarHBondContact OG-O 2.94Å; Y272-L328 HydrophobicContact CD1-CD2 3.59Å; Y272-L328 HydrophobicContact CE1-CD2 3.77Å; Y272-L328 HydrophobicContact CG-CD2 4.32Å; F273-L328 HydrophobicContact CE1-CD2 4.3Å; F273-L328 HydrophobicContact CE2-CD1 4.09Å; F273-L328 HydrophobicContact CE2-CD2 3.82Å; F273-L328 HydrophobicContact CE2-CG 4.43Å; F273-L328 HydrophobicContact CZ-CD1 4.31Å; F273-L328 HydrophobicContact CZ-CD2 3.63Å; M291-L328 HydrophobicContact CE-CD2 3.73Å; L299-L328 HydrophobicContact CD1-CD1 3.82Å; L302-L328 HydrophobicContact CD1-CD1 4.09Å; A324-L328 WeakPolarHBondContact O-CB 3.26Å; A324-L328 VanDerWaalsContact O-CG 3.26Å; A324-L328 WeakPolarHBondContact O-CG 3.47Å; A324-L328 PolarHBondContact O-N 3.47Å; C326-L328 VanDerWaalsContact C-N 3.34Å; C326-L328 PolarHBondContact O-N 2.95Å; L328-L330 HydrophobicContact CB-CD1 4.05Å; L328-L330 HydrophobicContact CB-CG 3.99Å; L328-L330 HydrophobicContact CD1-CD1 4.39Å; L328-L330 PolarHBondContact O-N 3.15Å; L328-L330 VanDerWaalsContact O-N 3.16Å
329	Q	94.1	Very high	94.2	Very high	102 Å²	102	38 Å²	38	48%	0.477	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	28.8	176.8	-57.4	179.1	1.3	0	0	114.2	S325 C326 L327 S331	S325-Q329 PolarHBondContact O-N 2.93Å; S325-Q329 VanDerWaalsContact O-N 3.08Å; C326-Q329 PolarHBondContact O-N 3.34Å; C326-Q329 VanDerWaalsContact O-N 3.15Å; L327-Q329 PolarHBondContact O-N 3.22Å; Q329-S331 VanDerWaalsContact C-N 3.26Å; Q329-S331 PolarHBondContact O-N 2.98Å
330	L	94.8	Very high	94.4	Very high	11 Å²	11	37 Å²	37	6%	0.058	22%	0.22	C	C	.	.			trans	-79.5	68.5	-178.1	-67.5	175	0	0	0	111.2	V269 L302 S325 L328 S332 V333 V334	V269-L330 HydrophobicContact CG1-CD2 3.91Å; V269-L330 VanDerWaalsContact O-CD2 3.27Å; V269-L330 WeakPolarHBondContact O-CD2 3.35Å; L302-L330 HydrophobicContact CB-CD1 3.97Å; L302-L330 HydrophobicContact CD1-CD1 4.13Å; L302-L330 HydrophobicContact CD2-CD1 3.81Å; L302-L330 HydrophobicContact CG-CD1 4.17Å; S325-L330 PolarHBondContact O-N 3.33Å; L328-L330 HydrophobicContact CB-CD1 4.05Å; L328-L330 HydrophobicContact CB-CG 3.99Å; L328-L330 HydrophobicContact CD1-CD1 4.39Å; L328-L330 PolarHBondContact O-N 3.15Å; L328-L330 VanDerWaalsContact O-N 3.16Å; L330-S332 VanDerWaalsContact C-N 3.3Å; L330-S332 PolarHBondContact O-N 3.43Å; L330-S332 VanDerWaalsContact O-N 3.13Å; L330-V333 HydrophobicContact CB-CB 4.13Å; L330-V333 HydrophobicContact CB-CG2 4.2Å; L330-V333 WeakPolarHBondContact O-CA 3.34Å; L330-V333 WeakPolarHBondContact O-CB 3.24Å; L330-V333 PolarHBondContact O-N 3.08Å; L330-V334 PolarHBondContact O-N 2.9Å
331	S	93.2	Very high	94.4	Very high	76 Å²	76	36.3 Å²	36.3	53%	0.531	21%	0.214	S	C	.	.	H	α-helix	trans	-48.7	-43	-170.4	-65.6	0	0	0	0	114.7	Q329 V333 V334 Q335	Q329-S331 VanDerWaalsContact C-N 3.26Å; Q329-S331 PolarHBondContact O-N 2.98Å; S331-V333 VanDerWaalsContact C-N 3.31Å; S331-V333 PolarHBondContact O-N 3.41Å; S331-V334 PolarHBondContact O-N 2.65Å; S331-Q335 WeakPolarHBondContact O-CG 3.4Å; S331-Q335 PolarHBondContact O-N 3.32Å
332	S	94.2	Very high	94.5	Very high	76 Å²	76	39.1 Å²	39.1	53%	0.531	23%	0.231	S	C	.	.	H	α-helix	trans	-62.9	-34.9	177.1	-51.8	0	0	0	0	113.1	L330 A336	L330-S332 VanDerWaalsContact C-N 3.3Å; L330-S332 PolarHBondContact O-N 3.43Å; L330-S332 VanDerWaalsContact O-N 3.13Å; S332-A336 WeakPolarHBondContact O-CB 3.47Å; S332-A336 PolarHBondContact O-N 2.9Å; S332-A336 VanDerWaalsContact O-N 3.14Å
333	V	95.4	Very high	94.5	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.006	27%	0.267	C	S	.	.	H	α-helix	trans	-75.8	-41.4	176.3	178.5	0	0	0	0	110.8	L302 Y305 L311 L330 S331 Q335 A336 C337	L302-V333 HydrophobicContact CD2-CB 4.42Å; L302-V333 HydrophobicContact CD2-CG1 3.79Å; L302-V333 HydrophobicContact CD2-CG2 4.27Å; Y305-V333 HydrophobicContact CD1-CG2 3.7Å; Y305-V333 HydrophobicContact CD2-CG2 4.35Å; Y305-V333 HydrophobicContact CE1-CG2 3.4Å; Y305-V333 VanDerWaalsContact CE1-CG2 3.4Å; Y305-V333 HydrophobicContact CE2-CG2 4.1Å; Y305-V333 HydrophobicContact CG-CG2 4.17Å; L311-V333 HydrophobicContact CD2-CB 4.36Å; L311-V333 HydrophobicContact CD2-CG1 3.51Å; L311-V333 HydrophobicContact CD2-CG2 4.2Å; L330-V333 HydrophobicContact CB-CB 4.13Å; L330-V333 HydrophobicContact CB-CG2 4.2Å; L330-V333 WeakPolarHBondContact O-CA 3.34Å; L330-V333 WeakPolarHBondContact O-CB 3.24Å; L330-V333 PolarHBondContact O-N 3.08Å; S331-V333 VanDerWaalsContact C-N 3.31Å; S331-V333 PolarHBondContact O-N 3.41Å; V333-Q335 VanDerWaalsContact C-N 3.32Å; V333-Q335 PolarHBondContact O-N 2.88Å; V333-A336 PolarHBondContact O-N 3.41Å; V333-C337 WeakPolarHBondContact O-CB 3.4Å; V333-C337 PolarHBondContact O-N 3.46Å; V333-C337 PolarHBondContact O-SG 3.27Å
334	V	94.9	Very high	94.5	Very high	27 Å²	27	49.1 Å²	49.1	16%	0.164	27%	0.271	C	S	.	.	H	α-helix	trans	-56.4	-47.8	174	174.1	0	0	0	0	110.3	L322 L330 S331 A336 C337 C338	L322-V334 HydrophobicContact CD1-CB 4.28Å; L322-V334 HydrophobicContact CD1-CG1 3.97Å; L322-V334 HydrophobicContact CD1-CG2 4.26Å; L330-V334 PolarHBondContact O-N 2.9Å; S331-V334 PolarHBondContact O-N 2.65Å; V334-A336 PolarHBondContact O-N 3.39Å; V334-C337 PolarHBondContact O-N 3.4Å; V334-C338 WeakPolarHBondContact O-CB 3.44Å; V334-C338 PolarHBondContact O-N 3.36Å; V334-C338 PolarHBondContact O-SG 3.34Å
335	Q	94.6	Very high	94.5	Very high	135 Å²	135	50.1 Å²	50.1	63%	0.631	28%	0.275	S	S	*	.	H	α-helix	trans	-61.1	-42.4	175.8	-73.8	179.3	-4.5	0	0	112.9	S331 V333 S339	S331-Q335 WeakPolarHBondContact O-CG 3.4Å; S331-Q335 PolarHBondContact O-N 3.32Å; V333-Q335 VanDerWaalsContact C-N 3.32Å; V333-Q335 PolarHBondContact O-N 2.88Å; Q335-S339 VanDerWaalsContact O-CB 3.25Å; Q335-S339 WeakPolarHBondContact O-CB 3.18Å; Q335-S339 PolarHBondContact O-N 3.04Å; Q335-S339 PolarHBondContact O-OG 2.9Å
336	A	95.4	Very high	94.6	Very high	37 Å²	37	55.1 Å²	55.1	31%	0.306	30%	0.299	S	S	.	.	H	α-helix	trans	-63.8	-43.7	176.7	0	0	0	0	0	112.1	L313 S332 V333 V334 S339 F340	L313-A336 HydrophobicContact CD1-CB 4.38Å; S332-A336 WeakPolarHBondContact O-CB 3.47Å; S332-A336 PolarHBondContact O-N 2.9Å; S332-A336 VanDerWaalsContact O-N 3.14Å; V333-A336 PolarHBondContact O-N 3.41Å; V334-A336 PolarHBondContact O-N 3.39Å; A336-S339 PolarHBondContact O-N 3.32Å; A336-F340 PolarHBondContact O-N 3.17Å
337	C	95.3	Very high	94.7	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-67.2	-43.7	178.8	-64.5	0	0	0	0	112	I318 L322 V333 V334 S339 F340 L341	I318-C337 HydrophobicContact CD1-CB 3.76Å; L322-C337 HydrophobicContact CB-CB 4.1Å; L322-C337 HydrophobicContact CD1-CB 3.99Å; L322-C337 HydrophobicContact CD2-CB 4.23Å; L322-C337 HydrophobicContact CG-CB 4.33Å; V333-C337 WeakPolarHBondContact O-CB 3.4Å; V333-C337 PolarHBondContact O-N 3.46Å; V333-C337 PolarHBondContact O-SG 3.27Å; V334-C337 PolarHBondContact O-N 3.4Å; C337-S339 VanDerWaalsContact C-N 3.34Å; C337-S339 PolarHBondContact O-N 3.23Å; C337-F340 WeakPolarHBondContact O-CB 3.42Å; C337-F340 PolarHBondContact O-N 3.5Å; C337-L341 WeakPolarHBondContact O-CG 3.39Å; C337-L341 PolarHBondContact O-N 3.04Å
338	C	95.4	Very high	94.7	Very high	16 Å²	16	53.2 Å²	53.2	11%	0.108	29%	0.292	C	S	.	.	H	α-helix	trans	-60.5	-43.2	172.4	-71.7	0	0	0	0	111.6	V334 F340 L341 V342 L365	V334-C338 WeakPolarHBondContact O-CB 3.44Å; V334-C338 PolarHBondContact O-N 3.36Å; V334-C338 PolarHBondContact O-SG 3.34Å; C338-F340 PolarHBondContact O-N 2.91Å; C338-L341 PolarHBondContact O-N 3.07Å; C338-V342 WeakPolarHBondContact O-CG2 3.5Å; C338-V342 PolarHBondContact O-N 2.88Å; C338-L365 HydrophobicContact CB-CB 4.2Å
339	S	95.3	Very high	94.7	Very high	65 Å²	65	55.1 Å²	55.1	46%	0.455	30%	0.303	S	S	.	.	H	α-helix	trans	-65.8	-24.6	177.2	-60.5	0	0	0	0	113.6	Q335 A336 C337 K343	Q335-S339 VanDerWaalsContact O-CB 3.25Å; Q335-S339 WeakPolarHBondContact O-CB 3.18Å; Q335-S339 PolarHBondContact O-N 3.04Å; Q335-S339 PolarHBondContact O-OG 2.9Å; A336-S339 PolarHBondContact O-N 3.32Å; C337-S339 VanDerWaalsContact C-N 3.34Å; C337-S339 PolarHBondContact O-N 3.23Å; S339-K343 WeakPolarHBondContact O-CD 3.5Å; S339-K343 WeakPolarHBondContact O-CE 3.27Å; S339-K343 WeakPolarHBondContact O-CG 3.3Å
340	F	95.1	Very high	94.8	Very high	42 Å²	42	50.3 Å²	50.3	18%	0.184	28%	0.28	C	S	.	.	H	α-helix	trans	-76.6	-49.6	171.1	-178.3	-90.8	0	0	0	110.9	L313 E315 I318 A336 C337 C338 V342 K343 Q344	L313-F340 HydrophobicContact CB-CD2 3.96Å; L313-F340 HydrophobicContact CB-CE2 4.17Å; L313-F340 HydrophobicContact CB-CG 4.3Å; L313-F340 HydrophobicContact CD1-CB 3.76Å; L313-F340 HydrophobicContact CD1-CD2 4.14Å; L313-F340 HydrophobicContact CD1-CG 4.13Å; E315-F340 HydrophobicContact CG-CE1 3.86Å; E315-F340 HydrophobicContact CG-CZ 3.62Å; I318-F340 HydrophobicContact CD1-CB 4.49Å; I318-F340 HydrophobicContact CD1-CD1 3.93Å; I318-F340 HydrophobicContact CD1-CG 4.42Å; I318-F340 HydrophobicContact CG1-CD1 3.97Å; I318-F340 HydrophobicContact CG1-CE1 4.43Å; A336-F340 PolarHBondContact O-N 3.17Å; C337-F340 WeakPolarHBondContact O-CB 3.42Å; C337-F340 PolarHBondContact O-N 3.5Å; C338-F340 PolarHBondContact O-N 2.91Å; F340-V342 VanDerWaalsContact C-N 3.35Å; F340-V342 PolarHBondContact O-N 2.88Å; F340-K343 WeakPolarHBondContact O-CB 3.34Å; F340-K343 PolarHBondContact O-N 3.34Å; F340-Q344 HydrophobicContact CD1-CG 4.39Å; F340-Q344 HydrophobicContact CE1-CG 4.14Å; F340-Q344 HydrophobicContact CZ-CG 4.49Å; F340-Q344 WeakPolarHBondContact O-CG 3.35Å; F340-Q344 PolarHBondContact O-N 3.13Å
341	L	94.9	Very high	94.8	Very high	15 Å²	15	50.1 Å²	50.1	8%	0.079	28%	0.279	C	S	.	.	H	α-helix	trans	-62.2	-36.7	179.8	-71	170.5	0	0	0	113.1	I318 L322 C337 C338 K343 Q344 L345 L365	I318-L341 HydrophobicContact CG1-CD1 4.17Å; I318-L341 HydrophobicContact CG1-CD2 3.97Å; I318-L341 HydrophobicContact CG1-CG 3.91Å; I318-L341 HydrophobicContact CG2-CD2 3.89Å; L322-L341 HydrophobicContact CD2-CD1 3.66Å; C337-L341 WeakPolarHBondContact O-CG 3.39Å; C337-L341 PolarHBondContact O-N 3.04Å; C338-L341 PolarHBondContact O-N 3.07Å; L341-K343 VanDerWaalsContact C-N 3.26Å; L341-K343 PolarHBondContact O-N 3.4Å; L341-Q344 CarbonylContact O-C 3.57Å; L341-Q344 PolarHBondContact O-N 3.37Å; L341-L345 PolarHBondContact O-N 3.46Å; L341-L365 HydrophobicContact CB-CD1 3.72Å; L341-L365 HydrophobicContact CB-CD2 4.06Å; L341-L365 HydrophobicContact CD1-CD2 3.62Å; L341-L365 HydrophobicContact CG-CD2 4.5Å
342	V	95.6	Very high	94.7	Very high	64 Å²	64	47.2 Å²	47.2	39%	0.388	26%	0.262	S	S	.	.	H	α-helix	trans	-60.3	-33.9	173.7	169.7	0	0	0	0	112.3	C338 F340 Q344 L345 L365 A368	C338-V342 WeakPolarHBondContact O-CG2 3.5Å; C338-V342 PolarHBondContact O-N 2.88Å; F340-V342 VanDerWaalsContact C-N 3.35Å; F340-V342 PolarHBondContact O-N 2.88Å; V342-Q344 VanDerWaalsContact C-N 3.26Å; V342-Q344 PolarHBondContact O-N 3.21Å; V342-L345 HydrophobicContact CG1-CD1 4.47Å; V342-L365 HydrophobicContact CG2-CD1 3.66Å; V342-A368 HydrophobicContact CG2-CB 3.83Å
343	K	94.4	Very high	94.7	Very high	173 Å²	173	44.5 Å²	44.5	75%	0.752	24%	0.241	S	C	*	.	H	α-helix	trans	-75.5	-15.6	177.4	-66.1	169.9	-174.4	176.3	0	113.2	S339 F340 L341	S339-K343 WeakPolarHBondContact O-CD 3.5Å; S339-K343 WeakPolarHBondContact O-CE 3.27Å; S339-K343 WeakPolarHBondContact O-CG 3.3Å; F340-K343 WeakPolarHBondContact O-CB 3.34Å; F340-K343 PolarHBondContact O-N 3.34Å; L341-K343 VanDerWaalsContact C-N 3.26Å; L341-K343 PolarHBondContact O-N 3.4Å
344	Q	93.5	Very high	94.7	Very high	75 Å²	75	45 Å²	45	35%	0.35	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	13.5	-176.7	-61.1	-72.7	14.4	0	0	112.5	E315 F340 L341 V342 H346 N349	E315-Q344 PolarHBondContact OE1-NE2 3.11Å; F340-Q344 HydrophobicContact CD1-CG 4.39Å; F340-Q344 HydrophobicContact CE1-CG 4.14Å; F340-Q344 HydrophobicContact CZ-CG 4.49Å; F340-Q344 WeakPolarHBondContact O-CG 3.35Å; F340-Q344 PolarHBondContact O-N 3.13Å; L341-Q344 CarbonylContact O-C 3.57Å; L341-Q344 PolarHBondContact O-N 3.37Å; V342-Q344 VanDerWaalsContact C-N 3.26Å; V342-Q344 PolarHBondContact O-N 3.21Å; Q344-H346 PolarHBondContact O-N 3.31Å; Q344-N349 PolarHBondContact O-ND2 2.7Å
345	L	95.3	Very high	94.6	Very high	24 Å²	24	46.4 Å²	46.4	13%	0.126	25%	0.254	C	S	.	.			trans	-67.1	124.2	175.7	-73.8	169.9	0	0	0	111	L341 V342 C350 I353 A369 Y372	L341-L345 PolarHBondContact O-N 3.46Å; V342-L345 HydrophobicContact CG1-CD1 4.47Å; L345-C350 HydrophobicContact CD2-CB 4.11Å; L345-I353 HydrophobicContact CD2-CB 4.28Å; L345-I353 HydrophobicContact CD2-CD1 4.08Å; L345-I353 HydrophobicContact CD2-CG2 4Å; L345-A369 HydrophobicContact CD2-CB 3.82Å; L345-Y372 HydrophobicContact CB-CD1 4.35Å; L345-Y372 HydrophobicContact CB-CD2 3.82Å; L345-Y372 HydrophobicContact CB-CE1 4.5Å; L345-Y372 HydrophobicContact CB-CE2 3.97Å; L345-Y372 HydrophobicContact CB-CG 4.02Å; L345-Y372 HydrophobicContact CD1-CD2 4.32Å; L345-Y372 HydrophobicContact CD1-CG 4.3Å; L345-Y372 PolarHBondContact O-OH 3.07Å
346	H	95.6	Very high	94.4	Very high	105 Å²	105	41.8 Å²	41.8	49%	0.486	23%	0.231	S	C	.	.			trans	-137.7	152.1	-179.2	-172.4	-108.6	0	0	0	109.1	Q344 S348 N349 C350 Y372	Q344-H346 PolarHBondContact O-N 3.31Å; H346-S348 PolarHBondContact ND1-OG 3.16Å; H346-S348 PolarHBondContact O-N 3.19Å; H346-N349 PolarHBondContact N-OD1 3.43Å; H346-N349 PolarHBondContact O-N 3.41Å; H346-N349 PolarHBondContact O-OD1 2.93Å; H346-C350 WeakPolarHBondContact O-CB 3.46Å; H346-C350 PolarHBondContact O-N 3.43Å; H346-Y372 WeakPolarHBondContact CA-OH 3.27Å
347	P	95.3	Very high	94.4	Very high	10 Å²	10	40 Å²	40	7%	0.065	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-21.5	-176.5	-24.7	36.8	0	0	0	113.7	Y372 H376 E379 V380	P347-Y372 WeakPolarHBondContact CD-OH 3.35Å; P347-Y372 HydrophobicContact CG-CE1 4.27Å; P347-H376 HydrophobicContact CG-CB 4.34Å; P347-E379 HydrophobicContact CB-CB 3.57Å; P347-E379 HydrophobicContact CG-CB 3.68Å; P347-E379 HydrophobicContact CG-CG 4.47Å; P347-V380 HydrophobicContact CB-CG2 3.97Å
348	S	94.1	Very high	94.2	Very high	63 Å²	63	43.3 Å²	43.3	44%	0.441	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-0.7	177.7	76.2	0	0	0	0	116.3	H346 E385	H346-S348 PolarHBondContact ND1-OG 3.16Å; H346-S348 PolarHBondContact O-N 3.19Å; S348-E385 VanDerWaalsContact O-CD 3.27Å
349	N	93.6	Very high	94	Very high	41 Å²	41	46.4 Å²	46.4	22%	0.219	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-133.1	-11	178.1	73.8	9.7	0	0	0	114	Q344 H346 L351 G352 I353 E385	Q344-N349 PolarHBondContact O-ND2 2.7Å; H346-N349 PolarHBondContact N-OD1 3.43Å; H346-N349 PolarHBondContact O-N 3.41Å; H346-N349 PolarHBondContact O-OD1 2.93Å; N349-L351 VanDerWaalsContact C-N 3.26Å; N349-L351 PolarHBondContact O-N 3.28Å; N349-G352 PolarHBondContact O-N 2.92Å; N349-I353 HydrophobicContact CB-CD1 4.29Å; N349-I353 WeakPolarHBondContact O-CG1 3.4Å; N349-I353 PolarHBondContact O-N 2.92Å; N349-E385 VanDerWaalsContact CA-OE2 3.23Å; N349-E385 WeakPolarHBondContact CA-OE2 3.22Å
350	C	95.5	Very high	93.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-67.2	-24.1	-172.3	68.1	0	0	0	0	113.7	L345 H346 R354 Y372 V380	L345-C350 HydrophobicContact CD2-CB 4.11Å; H346-C350 WeakPolarHBondContact O-CB 3.46Å; H346-C350 PolarHBondContact O-N 3.43Å; C350-R354 VanDerWaalsContact O-CB 3.23Å; C350-R354 WeakPolarHBondContact O-CB 3.2Å; C350-R354 PolarHBondContact O-N 3.29Å; C350-Y372 HydrophobicContact CB-CD1 3.67Å; C350-Y372 HydrophobicContact CB-CE1 4.19Å; C350-V380 VanDerWaalsContact SG-CG2 3.58Å
351	L	94.3	Very high	93.5	Very high	7 Å²	7	45.9 Å²	45.9	4%	0.037	26%	0.263	C	S	.	.	H	α-helix	trans	-76.8	-43.8	174.5	-63.7	172.3	0	0	0	110.3	N349 R354 S355 T373 V380 E385 F386 L389	N349-L351 VanDerWaalsContact C-N 3.26Å; N349-L351 PolarHBondContact O-N 3.28Å; L351-R354 VanDerWaalsContact CD2-NH1 3.32Å; L351-R354 PolarHBondContact O-N 3.14Å; L351-S355 WeakPolarHBondContact O-CB 3.39Å; L351-S355 PolarHBondContact O-N 3.48Å; L351-T373 HydrophobicContact CD2-CG2 3.6Å; L351-V380 HydrophobicContact CD1-CG1 3.52Å; L351-V380 HydrophobicContact CD2-CG1 4.23Å; L351-V380 HydrophobicContact CG-CG1 3.8Å; L351-E385 HydrophobicContact CB-CB 4.03Å; L351-E385 WeakPolarHBondContact CB-OE2 3.47Å; L351-E385 HydrophobicContact CD1-CB 3.87Å; L351-E385 HydrophobicContact CG-CB 4.48Å; L351-E385 PolarHBondContact N-OE2 3.18Å; L351-F386 HydrophobicContact CD1-CB 4.02Å; L351-L389 HydrophobicContact CB-CD2 4.32Å; L351-L389 HydrophobicContact CD1-CD1 3.96Å; L351-L389 HydrophobicContact CD1-CD2 4.06Å; L351-L389 HydrophobicContact CD1-CG 4.11Å; L351-L389 HydrophobicContact CD2-CD1 4.41Å; L351-L389 HydrophobicContact CD2-CD2 4.38Å
352	G	92.3	Very high	93.4	Very high	16 Å²	16	45.8 Å²	45.8	17%	0.165	26%	0.263	C	S	.	.	H	α-helix	trans	-58.1	-51.4	172.1	0	0	0	0	0	112.1	N349 R354 S355 Y356 E385	N349-G352 PolarHBondContact O-N 2.92Å; G352-R354 VanDerWaalsContact C-N 3.34Å; G352-R354 PolarHBondContact O-N 2.93Å; G352-S355 PolarHBondContact O-N 3.5Å; G352-Y356 VanDerWaalsContact O-CB 3.29Å; G352-Y356 WeakPolarHBondContact O-CB 3.34Å; G352-Y356 PolarHBondContact O-N 2.96Å; G352-E385 PolarHBondContact N-OE1 2.92Å; G352-E385 PolarHBondContact N-OE2 2.98Å
353	I	94.1	Very high	93.3	Very high	19 Å²	19	48.2 Å²	48.2	10%	0.097	27%	0.27	C	S	.	.	H	α-helix	trans	-61.2	-40.3	177.5	-67.4	172.1	0	0	0	111.2	L345 N349 Y356 A357 L365 A369	L345-I353 HydrophobicContact CD2-CB 4.28Å; L345-I353 HydrophobicContact CD2-CD1 4.08Å; L345-I353 HydrophobicContact CD2-CG2 4Å; N349-I353 HydrophobicContact CB-CD1 4.29Å; N349-I353 WeakPolarHBondContact O-CG1 3.4Å; N349-I353 PolarHBondContact O-N 2.92Å; I353-Y356 PolarHBondContact O-N 3.11Å; I353-A357 VanDerWaalsContact O-CB 3.24Å; I353-A357 WeakPolarHBondContact O-CB 3.05Å; I353-A357 PolarHBondContact O-N 3.03Å; I353-L365 HydrophobicContact CG2-CD1 3.88Å; I353-L365 HydrophobicContact CG2-CD2 4.26Å; I353-L365 HydrophobicContact CG2-CG 4.09Å; I353-A369 HydrophobicContact CG2-CB 4.13Å
354	R	94.9	Very high	93.3	Very high	12 Å²	12	45.3 Å²	45.3	5%	0.045	26%	0.263	C	S	.	.	H	α-helix	trans	-61.8	-50.2	175.3	-174.2	-179.2	77	-143.1	9.3	111.8	C350 L351 G352 Y356 A357 D358 Q366 A369 H370 T373 E393	C350-R354 VanDerWaalsContact O-CB 3.23Å; C350-R354 WeakPolarHBondContact O-CB 3.2Å; C350-R354 PolarHBondContact O-N 3.29Å; L351-R354 VanDerWaalsContact CD2-NH1 3.32Å; L351-R354 PolarHBondContact O-N 3.14Å; G352-R354 VanDerWaalsContact C-N 3.34Å; G352-R354 PolarHBondContact O-N 2.93Å; R354-Y356 VanDerWaalsContact C-N 3.31Å; R354-Y356 PolarHBondContact O-N 3.24Å; R354-A357 PolarHBondContact O-N 3.46Å; R354-D358 PolarHBondContact O-N 3.46Å; R354-Q366 HydrophobicContact CG-CG 4.31Å; R354-A369 HydrophobicContact CB-CB 3.81Å; R354-A369 HydrophobicContact CG-CB 4.47Å; R354-H370 HydrophobicContact CG-CB 4.45Å; R354-T373 PolarHBondContact NH1-OG1 3.44Å; R354-T373 VanDerWaalsContact NH1-OG1 3.16Å; R354-E393 IonicContact CZ-OE2 3.65Å; R354-E393 IonicContact NE-OE2 3.93Å; R354-E393 IonicContact NH2-OE2 2.8Å; R354-E393 PolarHBondContact NH2-OE2 3.19Å
355	S	92.2	Very high	93.4	Very high	56 Å²	56	41.8 Å²	41.8	39%	0.392	25%	0.246	S	C	.	.	H	α-helix	trans	-64.9	-36.2	-179.5	-173.2	0	0	0	0	112.1	L351 G352 A359	L351-S355 WeakPolarHBondContact O-CB 3.39Å; L351-S355 PolarHBondContact O-N 3.48Å; G352-S355 PolarHBondContact O-N 3.5Å; S355-A359 PolarHBondContact O-N 3.37Å
356	Y	91.7	Very high	93.4	Very high	38 Å²	38	42.8 Å²	42.8	15%	0.149	25%	0.25	C	S	.	.	H	α-helix	trans	-68.6	-44.7	176	179.4	-111	0	0	0	111.6	E319 L322 S323 G352 I353 R354 D358 A359 Q360	E319-Y356 PolarHBondContact O-OH 3.49Å; L322-Y356 HydrophobicContact CD2-CE1 4.05Å; L322-Y356 HydrophobicContact CG-CE1 4.39Å; S323-Y356 PolarHBondContact N-OH 3.16Å; S323-Y356 PolarHBondContact OG-OH 2.94Å; G352-Y356 VanDerWaalsContact O-CB 3.29Å; G352-Y356 WeakPolarHBondContact O-CB 3.34Å; G352-Y356 PolarHBondContact O-N 2.96Å; I353-Y356 PolarHBondContact O-N 3.11Å; R354-Y356 VanDerWaalsContact C-N 3.31Å; R354-Y356 PolarHBondContact O-N 3.24Å; Y356-D358 VanDerWaalsContact C-N 3.31Å; Y356-D358 PolarHBondContact O-N 3.21Å; Y356-A359 PolarHBondContact O-N 3Å; Y356-Q360 HydrophobicContact CD2-CG 4.32Å; Y356-Q360 HydrophobicContact CE1-CG 4.05Å; Y356-Q360 HydrophobicContact CE2-CG 3.82Å; Y356-Q360 WeakPolarHBondContact O-CG 3.49Å; Y356-Q360 PolarHBondContact O-N 2.89Å
357	A	94.4	Very high	93.4	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-62.6	-36.8	176.7	0	0	0	0	0	112.7	I353 R354 Q360 G361 C362 L365 Q366	I353-A357 VanDerWaalsContact O-CB 3.24Å; I353-A357 WeakPolarHBondContact O-CB 3.05Å; I353-A357 PolarHBondContact O-N 3.03Å; R354-A357 PolarHBondContact O-N 3.46Å; A357-Q360 PolarHBondContact O-N 3.21Å; A357-G361 PolarHBondContact O-N 2.98Å; A357-C362 HydrophobicContact CB-CB 4.24Å; A357-C362 PolarHBondContact O-N 3.14Å; A357-L365 HydrophobicContact CB-CB 3.94Å; A357-L365 HydrophobicContact CB-CD2 3.78Å; A357-L365 HydrophobicContact CB-CG 3.7Å; A357-Q366 HydrophobicContact CB-CB 3.78Å
358	D	91.8	Very high	93.4	Very high	69 Å²	69	46.2 Å²	46.2	37%	0.369	26%	0.264	S	S	.	.	H	α-helix	trans	-61.5	-47.5	173.3	-150	48.7	0	0	0	111	R354 Y356 Q360 G361 Q366	R354-D358 PolarHBondContact O-N 3.46Å; Y356-D358 VanDerWaalsContact C-N 3.31Å; Y356-D358 PolarHBondContact O-N 3.21Å; D358-Q360 VanDerWaalsContact C-N 3.28Å; D358-Q360 PolarHBondContact O-N 3.07Å; D358-G361 PolarHBondContact O-N 2.88Å; D358-G361 VanDerWaalsContact O-N 3.11Å; D358-Q366 HydrophobicContact CB-CG 4.02Å; D358-Q366 PolarHBondContact OD1-NE2 3.41Å
359	A	90.2	Very high	93.5	Very high	81 Å²	81	43.2 Å²	43.2	67%	0.669	24%	0.243	S	C	*	.	H	α-helix	trans	-65.1	-25.9	178.2	0	0	0	0	0	114.3	S355 Y356	S355-A359 PolarHBondContact O-N 3.37Å; Y356-A359 PolarHBondContact O-N 3Å
360	Q	89.5	Confident	93.5	Very high	53 Å²	53	44.4 Å²	44.4	25%	0.248	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	5.4	175.2	-59.1	-60.3	-32.3	0	0	113.6	S323 Y356 A357 D358 C362	S323-Q360 PolarHBondContact OG-NE2 2.91Å; S323-Q360 VanDerWaalsContact OG-NE2 3.08Å; Y356-Q360 HydrophobicContact CD2-CG 4.32Å; Y356-Q360 HydrophobicContact CE1-CG 4.05Å; Y356-Q360 HydrophobicContact CE2-CG 3.82Å; Y356-Q360 WeakPolarHBondContact O-CG 3.49Å; Y356-Q360 PolarHBondContact O-N 2.89Å; A357-Q360 PolarHBondContact O-N 3.21Å; D358-Q360 VanDerWaalsContact C-N 3.28Å; D358-Q360 PolarHBondContact O-N 3.07Å; Q360-C362 HydrophobicContact CB-CB 4.43Å; Q360-C362 PolarHBondContact O-N 3.4Å; Q360-C362 VanDerWaalsContact O-N 3.12Å; Q360-C362 PolarHBondContact O-SG 3.36Å
361	G	90.1	Very high	93.5	Very high	43 Å²	43	47.1 Å²	47.1	44%	0.443	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.6	14	-175	0	0	0	0	0	114.5	A357 D358 H363	A357-G361 PolarHBondContact O-N 2.98Å; D358-G361 PolarHBondContact O-N 2.88Å; D358-G361 VanDerWaalsContact O-N 3.11Å; G361-H363 PolarHBondContact O-CD2 3.4Å; G361-H363 PolarHBondContact O-N 3.5Å
362	C	92.9	Very high	93.6	Very high	13 Å²	13	49.2 Å²	49.2	9%	0.088	28%	0.278	C	S	.	.			trans	-81.5	64.9	-174.8	-71.6	0	0	0	0	111.1	C326 A357 Q360 D364 L365 Q366	C326-C362 VanDerWaalsContact SG-SG 3.67Å; A357-C362 HydrophobicContact CB-CB 4.24Å; A357-C362 PolarHBondContact O-N 3.14Å; Q360-C362 HydrophobicContact CB-CB 4.43Å; Q360-C362 PolarHBondContact O-N 3.4Å; Q360-C362 VanDerWaalsContact O-N 3.12Å; Q360-C362 PolarHBondContact O-SG 3.36Å; C362-D364 PolarHBondContact O-N 2.92Å; C362-L365 HydrophobicContact CB-CB 4.33Å; C362-L365 PolarHBondContact O-N 3.02Å; C362-L365 VanDerWaalsContact O-N 3.08Å; C362-Q366 PolarHBondContact O-N 3.25Å
363	H	93.7	Very high	93.7	Very high	115 Å²	115	48.4 Å²	48.4	53%	0.532	27%	0.27	S	S	.	.	H	α-helix	trans	-55.2	-29.3	-170.6	-64.1	-52.9	0	0	0	114.9	G361 R367	G361-H363 PolarHBondContact O-CD2 3.4Å; G361-H363 PolarHBondContact O-N 3.5Å; H363-R367 WeakPolarHBondContact O-CB 3.32Å; H363-R367 WeakPolarHBondContact O-CG 3.33Å; H363-R367 PolarHBondContact O-N 3.28Å
364	D	94.1	Very high	93.8	Very high	111 Å²	111	47.9 Å²	47.9	59%	0.594	27%	0.267	S	S	*	.	H	α-helix	trans	-71.5	-43.9	177.5	-66.8	-22.2	0	0	0	112.5	C362 R367 A368	C362-D364 PolarHBondContact O-N 2.92Å; D364-R367 PolarHBondContact O-N 3.2Å; D364-R367 IonicContact OD1-CZ 3.88Å; D364-R367 IonicContact OD1-NE 2.66Å; D364-R367 IonicContact OD1-NH2 3.73Å; D364-R367 PolarHBondContact OD1-NH2 3.13Å; D364-A368 WeakPolarHBondContact O-CB 3.49Å; D364-A368 PolarHBondContact O-N 2.89Å
365	L	95.8	Very high	93.7	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-66.4	-39.9	173.4	177.7	64.3	0	0	0	110.9	L322 C338 L341 V342 I353 A357 C362 A368 A369	L322-L365 HydrophobicContact CD2-CD2 4.31Å; C338-L365 HydrophobicContact CB-CB 4.2Å; L341-L365 HydrophobicContact CB-CD1 3.72Å; L341-L365 HydrophobicContact CB-CD2 4.06Å; L341-L365 HydrophobicContact CD1-CD2 3.62Å; L341-L365 HydrophobicContact CG-CD2 4.5Å; V342-L365 HydrophobicContact CG2-CD1 3.66Å; I353-L365 HydrophobicContact CG2-CD1 3.88Å; I353-L365 HydrophobicContact CG2-CD2 4.26Å; I353-L365 HydrophobicContact CG2-CG 4.09Å; A357-L365 HydrophobicContact CB-CB 3.94Å; A357-L365 HydrophobicContact CB-CD2 3.78Å; A357-L365 HydrophobicContact CB-CG 3.7Å; C362-L365 HydrophobicContact CB-CB 4.33Å; C362-L365 PolarHBondContact O-N 3.02Å; C362-L365 VanDerWaalsContact O-N 3.08Å; L365-A368 PolarHBondContact O-N 2.79Å; L365-A369 VanDerWaalsContact O-CB 3.3Å; L365-A369 WeakPolarHBondContact O-CB 3.44Å; L365-A369 PolarHBondContact O-N 3.11Å
366	Q	95.6	Very high	93.9	Very high	46 Å²	46	50.3 Å²	50.3	22%	0.215	27%	0.272	C	S	.	.	H	α-helix	trans	-61.7	-45	176.9	-172.5	-101.9	36.1	0	0	111.3	R354 A357 D358 C362 H370	R354-Q366 HydrophobicContact CG-CG 4.31Å; A357-Q366 HydrophobicContact CB-CB 3.78Å; D358-Q366 HydrophobicContact CB-CG 4.02Å; D358-Q366 PolarHBondContact OD1-NE2 3.41Å; C362-Q366 PolarHBondContact O-N 3.25Å; Q366-H370 VanDerWaalsContact O-CB 3.26Å; Q366-H370 WeakPolarHBondContact O-CB 3.45Å; Q366-H370 PolarHBondContact O-N 3.23Å
367	R	94.8	Very high	94	Very high	156 Å²	156	48.6 Å²	48.6	59%	0.589	27%	0.266	S	S	*	.	H	α-helix	trans	-64.4	-43.7	173.8	-75.1	-172.6	-64.1	170.3	-2.1	112.4	H363 D364 H370 A371	H363-R367 WeakPolarHBondContact O-CB 3.32Å; H363-R367 WeakPolarHBondContact O-CG 3.33Å; H363-R367 PolarHBondContact O-N 3.28Å; D364-R367 PolarHBondContact O-N 3.2Å; D364-R367 IonicContact OD1-CZ 3.88Å; D364-R367 IonicContact OD1-NE 2.66Å; D364-R367 IonicContact OD1-NH2 3.73Å; D364-R367 PolarHBondContact OD1-NH2 3.13Å; R367-H370 PolarHBondContact O-N 3.04Å; R367-A371 WeakPolarHBondContact O-CB 3.27Å; R367-A371 PolarHBondContact O-N 2.98Å
368	A	95.6	Very high	94.1	Very high	31 Å²	31	53 Å²	53	26%	0.256	29%	0.289	S	S	.	.	H	α-helix	trans	-63	-47.4	178	0	0	0	0	0	112.1	V342 D364 L365 H370 A371 Y372	V342-A368 HydrophobicContact CG2-CB 3.83Å; D364-A368 WeakPolarHBondContact O-CB 3.49Å; D364-A368 PolarHBondContact O-N 2.89Å; L365-A368 PolarHBondContact O-N 2.79Å; A368-H370 PolarHBondContact O-N 3.23Å; A368-A371 PolarHBondContact O-N 2.96Å; A368-Y372 WeakPolarHBondContact O-CB 3.35Å; A368-Y372 PolarHBondContact O-N 3.29Å
369	A	96.3	Very high	94.3	Very high	0 Å²	0	55 Å²	55	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-65.5	-36.5	177	0	0	0	0	0	112.4	L345 I353 R354 L365 T373	L345-A369 HydrophobicContact CD2-CB 3.82Å; I353-A369 HydrophobicContact CG2-CB 4.13Å; R354-A369 HydrophobicContact CB-CB 3.81Å; R354-A369 HydrophobicContact CG-CB 4.47Å; L365-A369 VanDerWaalsContact O-CB 3.3Å; L365-A369 WeakPolarHBondContact O-CB 3.44Å; L365-A369 PolarHBondContact O-N 3.11Å; A369-T373 PolarHBondContact O-N 2.93Å; A369-T373 PolarHBondContact O-OG1 3.46Å
370	H	94.8	Very high	94.5	Very high	65 Å²	65	51.2 Å²	51.2	30%	0.301	27%	0.265	S	S	.	.	H	α-helix	trans	-64.2	-48.6	172.5	-174.8	92.7	0	0	0	112.1	R354 Q366 R367 A368 Y372 T373 M374	R354-H370 HydrophobicContact CG-CB 4.45Å; Q366-H370 VanDerWaalsContact O-CB 3.26Å; Q366-H370 WeakPolarHBondContact O-CB 3.45Å; Q366-H370 PolarHBondContact O-N 3.23Å; R367-H370 PolarHBondContact O-N 3.04Å; A368-H370 PolarHBondContact O-N 3.23Å; H370-Y372 VanDerWaalsContact C-N 3.3Å; H370-Y372 PolarHBondContact O-N 3.2Å; H370-T373 WeakPolarHBondContact O-CB 3.4Å; H370-T373 PolarHBondContact O-N 3.08Å; H370-T373 VanDerWaalsContact O-N 3.09Å; H370-M374 WeakPolarHBondContact O-CG 3.23Å; H370-M374 PolarHBondContact O-N 3.13Å
371	A	94.3	Very high	94.7	Very high	57 Å²	57	50.1 Å²	50.1	47%	0.471	26%	0.261	S	S	.	.	H	α-helix	trans	-59.9	-41.3	177.5	0	0	0	0	0	111.9	R367 A368 M374 E375	R367-A371 WeakPolarHBondContact O-CB 3.27Å; R367-A371 PolarHBondContact O-N 2.98Å; A368-A371 PolarHBondContact O-N 2.96Å; A371-M374 PolarHBondContact O-N 3.25Å; A371-E375 PolarHBondContact O-N 3.42Å
372	Y	96	Very high	94.8	Very high	51 Å²	51	51.6 Å²	51.6	20%	0.2	28%	0.276	C	S	.	.	H	α-helix	trans	-61.1	-44.3	172.3	-171	-80.2	0	0	0	111.9	L345 H346 P347 C350 A368 H370 M374 E375 H376	L345-Y372 HydrophobicContact CB-CD1 4.35Å; L345-Y372 HydrophobicContact CB-CD2 3.82Å; L345-Y372 HydrophobicContact CB-CE1 4.5Å; L345-Y372 HydrophobicContact CB-CE2 3.97Å; L345-Y372 HydrophobicContact CB-CG 4.02Å; L345-Y372 HydrophobicContact CD1-CD2 4.32Å; L345-Y372 HydrophobicContact CD1-CG 4.3Å; L345-Y372 PolarHBondContact O-OH 3.07Å; H346-Y372 WeakPolarHBondContact CA-OH 3.27Å; P347-Y372 WeakPolarHBondContact CD-OH 3.35Å; P347-Y372 HydrophobicContact CG-CE1 4.27Å; C350-Y372 HydrophobicContact CB-CD1 3.67Å; C350-Y372 HydrophobicContact CB-CE1 4.19Å; A368-Y372 WeakPolarHBondContact O-CB 3.35Å; A368-Y372 PolarHBondContact O-N 3.29Å; H370-Y372 VanDerWaalsContact C-N 3.3Å; H370-Y372 PolarHBondContact O-N 3.2Å; Y372-M374 VanDerWaalsContact C-N 3.31Å; Y372-M374 PolarHBondContact O-N 2.77Å; Y372-E375 PolarHBondContact O-N 3Å; Y372-H376 HydrophobicContact CD1-CB 4.41Å; Y372-H376 AromaticContact CD2-CD2 3.88Å; Y372-H376 HydrophobicContact CE1-CB 4.06Å; Y372-H376 AromaticContact CE1-CD2 3.81Å; Y372-H376 AromaticContact CE1-CG 4Å; Y372-H376 AromaticContact CE2-CD2 3.63Å; Y372-H376 AromaticContact CE2-NE2 3.81Å; Y372-H376 AromaticContact CZ-CD2 3.59Å; Y372-H376 AromaticContact CZ-CG 3.99Å; Y372-H376 AromaticContact CZ-NE2 4Å; Y372-H376 PolarHBondContact O-N 2.94Å
373	T	95.8	Very high	94.8	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-57.8	-43.9	175.2	-47.7	0	0	0	0	111.3	L351 R354 A369 H370 F377 V380 L397	L351-T373 HydrophobicContact CD2-CG2 3.6Å; R354-T373 PolarHBondContact NH1-OG1 3.44Å; R354-T373 VanDerWaalsContact NH1-OG1 3.16Å; A369-T373 PolarHBondContact O-N 2.93Å; A369-T373 PolarHBondContact O-OG1 3.46Å; H370-T373 WeakPolarHBondContact O-CB 3.4Å; H370-T373 PolarHBondContact O-N 3.08Å; H370-T373 VanDerWaalsContact O-N 3.09Å; T373-F377 WeakPolarHBondContact O-CA 3.24Å; T373-F377 PolarHBondContact O-N 3.48Å; T373-V380 HydrophobicContact CG2-CG1 4.3Å; T373-V380 HydrophobicContact CG2-CG2 4.46Å; T373-L397 HydrophobicContact CG2-CD2 4.19Å
374	M	94.8	Very high	94.6	Very high	8 Å²	8	49.4 Å²	49.4	4%	0.039	27%	0.267	C	S	.	.	H	α-helix	trans	-65.4	-39.9	179.5	-67.8	-61.6	102.7	0	0	111.6	H370 A371 Y372 L397 S400 D402 I403 N404	H370-M374 WeakPolarHBondContact O-CG 3.23Å; H370-M374 PolarHBondContact O-N 3.13Å; A371-M374 PolarHBondContact O-N 3.25Å; Y372-M374 VanDerWaalsContact C-N 3.31Å; Y372-M374 PolarHBondContact O-N 2.77Å; M374-L397 HydrophobicContact CE-CD2 3.45Å; M374-L397 VanDerWaalsContact CE-CD2 3.45Å; M374-S400 PolarHBondContact SD-OG 3.45Å; M374-S400 VanDerWaalsContact SD-OG 3.35Å; M374-D402 HydrophobicContact CG-CB 4.3Å; M374-D402 HydrophobicContact SD-CB 4.32Å; M374-I403 HydrophobicContact SD-CG1 4.15Å; M374-N404 WeakPolarHBondContact O-CB 3.48Å; M374-N404 PolarHBondContact O-N 3.38Å
375	E	93.7	Very high	94.5	Very high	62 Å²	62	46.1 Å²	46.1	29%	0.29	25%	0.248	S	C	.	.	H	α-helix	trans	-75.4	-39.1	-177.7	-172.3	141.5	-115	0	0	113.4	A371 Y372 N404 R518 R519	A371-E375 PolarHBondContact O-N 3.42Å; Y372-E375 PolarHBondContact O-N 3Å; E375-N404 WeakPolarHBondContact O-CB 3.48Å; E375-N404 PolarHBondContact O-ND2 2.69Å; E375-R518 IonicContact OE1-CZ 2.77Å; E375-R518 IonicContact OE1-NH1 3.74Å; E375-R518 PolarHBondContact OE1-NH1 2.76Å; E375-R519 IonicContact OE1-CZ 3.63Å; E375-R519 IonicContact OE1-NH1 3.29Å; E375-R519 PolarHBondContact OE1-NH1 3.01Å; E375-R519 IonicContact OE2-CZ 3.32Å; E375-R519 IonicContact OE2-NH1 3.41Å; E375-R519 PolarHBondContact OE2-NH1 2.76Å
376	H	95.4	Very high	94.5	Very high	56 Å²	56	46 Å²	46	26%	0.259	25%	0.248	S	C	.	.	S	Bend	trans	-100.1	19	-177.6	-70.1	-84.9	0	0	0	114	P347 Y372 L378 E379 V380	P347-H376 HydrophobicContact CG-CB 4.34Å; Y372-H376 HydrophobicContact CD1-CB 4.41Å; Y372-H376 AromaticContact CD2-CD2 3.88Å; Y372-H376 HydrophobicContact CE1-CB 4.06Å; Y372-H376 AromaticContact CE1-CD2 3.81Å; Y372-H376 AromaticContact CE1-CG 4Å; Y372-H376 AromaticContact CE2-CD2 3.63Å; Y372-H376 AromaticContact CE2-NE2 3.81Å; Y372-H376 AromaticContact CZ-CD2 3.59Å; Y372-H376 AromaticContact CZ-CG 3.99Å; Y372-H376 AromaticContact CZ-NE2 4Å; Y372-H376 PolarHBondContact O-N 2.94Å; H376-L378 VanDerWaalsContact C-N 3.27Å; H376-L378 PolarHBondContact O-N 3.37Å; H376-E379 IonicContact CE1-OE1 3.2Å; H376-E379 IonicContact CG-OE1 2.89Å; H376-E379 IonicContact ND1-OE1 2.69Å; H376-E379 PolarHBondContact ND1-OE1 3.27Å; H376-E379 WeakPolarHBondContact O-CB 3.49Å; H376-E379 PolarHBondContact O-N 3.2Å; H376-V380 HydrophobicContact CB-CG2 4.5Å; H376-V380 WeakPolarHBondContact O-CG2 3.23Å; H376-V380 PolarHBondContact O-N 3.16Å; H376-V380 VanDerWaalsContact O-N 3.14Å
377	F	95.7	Very high	94.3	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.009	25%	0.247	C	C	.	.	H	α-helix	trans	-50	-40.4	-169.1	-175.4	-99.2	0	0	0	114.9	T373 E379 V380 V381 F386 I403 V405	T373-F377 WeakPolarHBondContact O-CA 3.24Å; T373-F377 PolarHBondContact O-N 3.48Å; F377-E379 VanDerWaalsContact C-N 3.27Å; F377-E379 PolarHBondContact O-N 3.47Å; F377-V380 PolarHBondContact O-N 3.23Å; F377-V381 HydrophobicContact CD1-CG2 3.86Å; F377-V381 HydrophobicContact CD2-CG2 4.49Å; F377-V381 HydrophobicContact CE1-CG2 3.44Å; F377-V381 VanDerWaalsContact CE1-CG2 3.44Å; F377-V381 HydrophobicContact CE2-CG2 4.13Å; F377-V381 HydrophobicContact CG-CG2 4.38Å; F377-V381 HydrophobicContact CZ-CG2 3.59Å; F377-V381 WeakPolarHBondContact O-CG2 3.27Å; F377-V381 PolarHBondContact O-N 2.95Å; F377-F386 HydrophobicContact CE2-CE2 4.1Å; F377-F386 HydrophobicContact CZ-CE2 4.13Å; F377-I403 HydrophobicContact CB-CG2 3.67Å; F377-I403 HydrophobicContact CD1-CG2 3.37Å; F377-I403 HydrophobicContact CD2-CG2 3.58Å; F377-I403 HydrophobicContact CE1-CG2 3.8Å; F377-I403 HydrophobicContact CE2-CG2 3.99Å; F377-I403 HydrophobicContact CG-CG2 3.24Å; F377-I403 HydrophobicContact CZ-CG2 4.09Å; F377-V405 HydrophobicContact CD1-CG1 3.68Å; F377-V405 HydrophobicContact CE1-CG1 4.05Å
378	L	95.1	Very high	94.2	Very high	92 Å²	92	41.5 Å²	41.5	48%	0.482	24%	0.239	S	C	.	.	H	α-helix	trans	-58.1	-38	178.1	-57.9	179.7	0	0	0	113	H376 V405 T410	H376-L378 VanDerWaalsContact C-N 3.27Å; H376-L378 PolarHBondContact O-N 3.37Å; L378-V405 HydrophobicContact CD2-CG1 4.06Å; L378-T410 HydrophobicContact CD2-CG2 3.63Å
379	E	95.6	Very high	94.1	Very high	113 Å²	113	40.7 Å²	40.7	53%	0.528	23%	0.23	S	C	.	.	H	α-helix	trans	-77.9	-37.1	178.2	-59.6	170.9	-102.5	0	0	110.8	P347 H376 F377 V381 G382	P347-E379 HydrophobicContact CB-CB 3.57Å; P347-E379 HydrophobicContact CG-CB 3.68Å; P347-E379 HydrophobicContact CG-CG 4.47Å; H376-E379 IonicContact CE1-OE1 3.2Å; H376-E379 IonicContact CG-OE1 2.89Å; H376-E379 IonicContact ND1-OE1 2.69Å; H376-E379 PolarHBondContact ND1-OE1 3.27Å; H376-E379 WeakPolarHBondContact O-CB 3.49Å; H376-E379 PolarHBondContact O-N 3.2Å; F377-E379 VanDerWaalsContact C-N 3.27Å; F377-E379 PolarHBondContact O-N 3.47Å; E379-V381 PolarHBondContact O-N 3.37Å; E379-G382 PolarHBondContact O-N 3.02Å
380	V	95.6	Very high	94	Very high	1 Å²	1	44 Å²	44	1%	0.006	25%	0.252	C	S	.	.	H	α-helix	trans	-64	-39.4	177.8	179.6	0	0	0	0	111.7	P347 C350 L351 T373 H376 F377 G382 A383 F386	P347-V380 HydrophobicContact CB-CG2 3.97Å; C350-V380 VanDerWaalsContact SG-CG2 3.58Å; L351-V380 HydrophobicContact CD1-CG1 3.52Å; L351-V380 HydrophobicContact CD2-CG1 4.23Å; L351-V380 HydrophobicContact CG-CG1 3.8Å; T373-V380 HydrophobicContact CG2-CG1 4.3Å; T373-V380 HydrophobicContact CG2-CG2 4.46Å; H376-V380 HydrophobicContact CB-CG2 4.5Å; H376-V380 WeakPolarHBondContact O-CG2 3.23Å; H376-V380 PolarHBondContact O-N 3.16Å; H376-V380 VanDerWaalsContact O-N 3.14Å; F377-V380 PolarHBondContact O-N 3.23Å; V380-G382 PolarHBondContact O-N 3.29Å; V380-A383 WeakPolarHBondContact O-CB 3.21Å; V380-A383 PolarHBondContact O-N 3.41Å; V380-F386 HydrophobicContact CG1-CB 4.49Å; V380-F386 VanDerWaalsContact O-CB 3.27Å; V380-F386 WeakPolarHBondContact O-CB 3.41Å
381	V	93.9	Very high	94	Very high	29 Å²	29	42.2 Å²	42.2	18%	0.176	25%	0.246	C	C	.	.	H	α-helix	trans	-60.2	-30.3	177	168.6	0	0	0	0	112.3	F377 E379 A383 F386	F377-V381 HydrophobicContact CD1-CG2 3.86Å; F377-V381 HydrophobicContact CD2-CG2 4.49Å; F377-V381 HydrophobicContact CE1-CG2 3.44Å; F377-V381 VanDerWaalsContact CE1-CG2 3.44Å; F377-V381 HydrophobicContact CE2-CG2 4.13Å; F377-V381 HydrophobicContact CG-CG2 4.38Å; F377-V381 HydrophobicContact CZ-CG2 3.59Å; F377-V381 WeakPolarHBondContact O-CG2 3.27Å; F377-V381 PolarHBondContact O-N 2.95Å; E379-V381 PolarHBondContact O-N 3.37Å; V381-A383 VanDerWaalsContact C-N 3.31Å; V381-F386 HydrophobicContact CB-CD1 4.43Å; V381-F386 HydrophobicContact CB-CE1 4.44Å; V381-F386 HydrophobicContact CG1-CD1 4.35Å; V381-F386 HydrophobicContact CG1-CE1 4.12Å; V381-F386 HydrophobicContact CG2-CD1 4.43Å; V381-F386 HydrophobicContact CG2-CD2 4.21Å; V381-F386 HydrophobicContact CG2-CE1 4.14Å; V381-F386 HydrophobicContact CG2-CE2 3.89Å; V381-F386 HydrophobicContact CG2-CG 4.47Å; V381-F386 HydrophobicContact CG2-CZ 3.86Å
382	G	91.1	Very high	94	Very high	74 Å²	74	45.3 Å²	45.3	76%	0.763	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-12.1	174.3	0	0	0	0	0	114.6	E379 V380	E379-G382 PolarHBondContact O-N 3.02Å; V380-G382 PolarHBondContact O-N 3.29Å
383	A	93.5	Very high	93.8	Very high	13 Å²	13	43.9 Å²	43.9	11%	0.107	25%	0.246	C	C	.	.	S	Bend	trans	-89.1	150.3	-177.8	0	0	0	0	0	112.9	V380 V381 E385 F386	V380-A383 WeakPolarHBondContact O-CB 3.21Å; V380-A383 PolarHBondContact O-N 3.41Å; V381-A383 VanDerWaalsContact C-N 3.31Å; A383-E385 VanDerWaalsContact C-N 3.28Å; A383-E385 PolarHBondContact O-N 3.03Å; A383-F386 WeakPolarHBondContact O-CB 3.33Å; A383-F386 PolarHBondContact O-N 2.89Å
384	Q	90.1	Very high	93.8	Very high	69 Å²	69	44 Å²	44	32%	0.322	25%	0.246	S	C	.	.	H	α-helix	trans	-60.1	-35.9	179.3	-171.1	89.2	66.9	0	0	112.9	R23 F386 L387 V388	R23-Q384 VanDerWaalsContact NH1-CB 3.33Å; Q384-F386 PolarHBondContact O-N 3.23Å; Q384-L387 PolarHBondContact O-N 3.08Å; Q384-V388 HydrophobicContact CG-CG2 4.09Å; Q384-V388 WeakPolarHBondContact O-CG2 3.35Å; Q384-V388 PolarHBondContact O-N 2.95Å; Q384-V388 VanDerWaalsContact O-N 3.13Å
385	E	92.1	Very high	93.8	Very high	42 Å²	42	47.2 Å²	47.2	20%	0.196	26%	0.261	C	S	.	.	H	α-helix	trans	-55	-39	-178.7	-65	-162	145	0	0	111.3	S348 N349 L351 G352 A383 V388 L389	S348-E385 VanDerWaalsContact O-CD 3.27Å; N349-E385 VanDerWaalsContact CA-OE2 3.23Å; N349-E385 WeakPolarHBondContact CA-OE2 3.22Å; L351-E385 HydrophobicContact CB-CB 4.03Å; L351-E385 WeakPolarHBondContact CB-OE2 3.47Å; L351-E385 HydrophobicContact CD1-CB 3.87Å; L351-E385 HydrophobicContact CG-CB 4.48Å; L351-E385 PolarHBondContact N-OE2 3.18Å; G352-E385 PolarHBondContact N-OE1 2.92Å; G352-E385 PolarHBondContact N-OE2 2.98Å; A383-E385 VanDerWaalsContact C-N 3.28Å; A383-E385 PolarHBondContact O-N 3.03Å; E385-V388 PolarHBondContact O-N 3.07Å; E385-L389 WeakPolarHBondContact O-CG 3.41Å; E385-L389 PolarHBondContact O-N 3.47Å
386	F	94.7	Very high	93.8	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-60.1	-47.8	175.6	-177.8	-97.4	0	0	0	111.9	L351 F377 V380 V381 A383 Q384 V388 L389 M394 L397 W418	L351-F386 HydrophobicContact CD1-CB 4.02Å; F377-F386 HydrophobicContact CE2-CE2 4.1Å; F377-F386 HydrophobicContact CZ-CE2 4.13Å; V380-F386 HydrophobicContact CG1-CB 4.49Å; V380-F386 VanDerWaalsContact O-CB 3.27Å; V380-F386 WeakPolarHBondContact O-CB 3.41Å; V381-F386 HydrophobicContact CB-CD1 4.43Å; V381-F386 HydrophobicContact CB-CE1 4.44Å; V381-F386 HydrophobicContact CG1-CD1 4.35Å; V381-F386 HydrophobicContact CG1-CE1 4.12Å; V381-F386 HydrophobicContact CG2-CD1 4.43Å; V381-F386 HydrophobicContact CG2-CD2 4.21Å; V381-F386 HydrophobicContact CG2-CE1 4.14Å; V381-F386 HydrophobicContact CG2-CE2 3.89Å; V381-F386 HydrophobicContact CG2-CG 4.47Å; V381-F386 HydrophobicContact CG2-CZ 3.86Å; A383-F386 WeakPolarHBondContact O-CB 3.33Å; A383-F386 PolarHBondContact O-N 2.89Å; Q384-F386 PolarHBondContact O-N 3.23Å; F386-V388 PolarHBondContact O-N 2.77Å; F386-L389 HydrophobicContact CD2-CD1 3.93Å; F386-L389 HydrophobicContact CE2-CD1 4.44Å; F386-L389 WeakPolarHBondContact O-CB 3.43Å; F386-L389 WeakPolarHBondContact O-CG 3.43Å; F386-L389 PolarHBondContact O-N 3.34Å; F386-M394 HydrophobicContact CD2-CE 4.33Å; F386-M394 HydrophobicContact CE1-CE 4.04Å; F386-M394 HydrophobicContact CE2-CE 3.64Å; F386-M394 HydrophobicContact CE2-SD 4.33Å; F386-M394 HydrophobicContact CZ-CE 3.47Å; F386-M394 VanDerWaalsContact CZ-CE 3.47Å; F386-M394 HydrophobicContact CZ-SD 4.18Å; F386-L397 HydrophobicContact CD2-CD1 4.47Å; F386-L397 HydrophobicContact CE2-CD1 4.22Å; F386-W418 HydrophobicContact CE1-CB 4.12Å
387	L	92.9	Very high	93.8	Very high	36 Å²	36	47.6 Å²	47.6	19%	0.188	26%	0.258	C	S	.	.	H	α-helix	trans	-63.4	-23.7	178.1	-63.1	179.8	0	0	0	113.5	Q384 H421 R426	Q384-L387 PolarHBondContact O-N 3.08Å; L387-H421 HydrophobicContact CD2-CB 4.42Å; L387-H421 PolarHBondContact O-CD2 2.83Å; L387-R426 VanDerWaalsContact O-CZ 3.28Å; L387-R426 PolarHBondContact O-NH1 2.96Å; L387-R426 PolarHBondContact O-NH2 2.83Å
388	V	92.7	Very high	93.7	Very high	71 Å²	71	47.7 Å²	47.7	43%	0.43	26%	0.258	S	S	.	.	H	α-helix	trans	-95	-5.4	-178.6	-178.4	0	0	0	0	112.4	I19 Q384 E385 F386	I19-V388 HydrophobicContact CD1-CG1 4.43Å; Q384-V388 HydrophobicContact CG-CG2 4.09Å; Q384-V388 WeakPolarHBondContact O-CG2 3.35Å; Q384-V388 PolarHBondContact O-N 2.95Å; Q384-V388 VanDerWaalsContact O-N 3.13Å; E385-V388 PolarHBondContact O-N 3.07Å; F386-V388 PolarHBondContact O-N 2.77Å
389	L	93.4	Very high	93.7	Very high	13 Å²	13	46.7 Å²	46.7	7%	0.068	26%	0.256	C	S	.	.			trans	-53.8	140.5	-179.3	-74	177.9	0	0	0	113.8	L351 E385 F386 E393 M394 L397 W418 R426	L351-L389 HydrophobicContact CB-CD2 4.32Å; L351-L389 HydrophobicContact CD1-CD1 3.96Å; L351-L389 HydrophobicContact CD1-CD2 4.06Å; L351-L389 HydrophobicContact CD1-CG 4.11Å; L351-L389 HydrophobicContact CD2-CD1 4.41Å; L351-L389 HydrophobicContact CD2-CD2 4.38Å; E385-L389 WeakPolarHBondContact O-CG 3.41Å; E385-L389 PolarHBondContact O-N 3.47Å; F386-L389 HydrophobicContact CD2-CD1 3.93Å; F386-L389 HydrophobicContact CE2-CD1 4.44Å; F386-L389 WeakPolarHBondContact O-CB 3.43Å; F386-L389 WeakPolarHBondContact O-CG 3.43Å; F386-L389 PolarHBondContact O-N 3.34Å; L389-E393 HydrophobicContact CB-CB 4.29Å; L389-E393 HydrophobicContact CD2-CB 3.95Å; L389-E393 HydrophobicContact CD2-CG 4.28Å; L389-M394 HydrophobicContact CD1-CE 4.19Å; L389-L397 HydrophobicContact CD1-CD1 3.46Å; L389-L397 VanDerWaalsContact CD1-CD1 3.46Å; L389-W418 WeakPolarHBondContact O-CZ2 3.46Å; L389-W418 PolarHBondContact O-NE1 3.14Å; L389-R426 PolarHBondContact O-NH2 2.86Å
390	P	93.4	Very high	93.6	Very high	69 Å²	69	42.3 Å²	42.3	45%	0.448	24%	0.238	S	C	.	.			trans	-58.1	163.4	164	-24.3	34	0	0	0	113.8	E392 E393 M394	P390-E392 VanDerWaalsContact C-N 3.29Å; P390-E392 VanDerWaalsContact CB-OE2 3.27Å; P390-E392 WeakPolarHBondContact CB-OE2 3.48Å; P390-E392 PolarHBondContact O-N 3.29Å; P390-E393 HydrophobicContact CB-CB 4.47Å; P390-E393 HydrophobicContact CB-CG 4.33Å; P390-E393 HydrophobicContact CG-CG 4.14Å; P390-E393 PolarHBondContact O-N 3.01Å; P390-M394 PolarHBondContact O-N 2.85Å; P390-M394 VanDerWaalsContact O-N 3.08Å
391	V	94.9	Very high	93.4	Very high	29 Å²	29	44.2 Å²	44.2	18%	0.176	25%	0.248	C	C	.	.	H	α-helix	trans	-63.8	-39.5	179.5	-171.2	0	0	0	0	110.6	M394 E395 W418 H429 L433	V391-M394 WeakPolarHBondContact O-CB 3.27Å; V391-M394 PolarHBondContact O-N 3.49Å; V391-E395 WeakPolarHBondContact O-CB 3.48Å; V391-E395 PolarHBondContact O-N 2.89Å; V391-W418 HydrophobicContact CB-CH2 4.45Å; V391-W418 HydrophobicContact CG2-CH2 4.16Å; V391-H429 HydrophobicContact CG1-CB 3.89Å; V391-L433 HydrophobicContact CG1-CD1 4.39Å; V391-L433 HydrophobicContact CG1-CD2 4.49Å
392	E	93.6	Very high	93.4	Very high	122 Å²	122	45 Å²	45	57%	0.57	25%	0.251	S	S	*	.	H	α-helix	trans	-69.2	-38.9	-177.5	-56	76	-170.6	0	0	111.2	P390 R396	P390-E392 VanDerWaalsContact C-N 3.29Å; P390-E392 VanDerWaalsContact CB-OE2 3.27Å; P390-E392 WeakPolarHBondContact CB-OE2 3.48Å; P390-E392 PolarHBondContact O-N 3.29Å; E392-R396 WeakPolarHBondContact O-CB 3.31Å; E392-R396 WeakPolarHBondContact O-CG 3.48Å; E392-R396 PolarHBondContact O-N 3.13Å
393	E	92.9	Very high	93.5	Very high	21 Å²	21	41.4 Å²	41.4	10%	0.098	22%	0.215	C	C	.	.	H	α-helix	trans	-65.2	-42.9	171.4	-72.6	-60.7	137.9	0	0	111.2	R354 L389 P390 R396 L397	R354-E393 IonicContact CZ-OE2 3.65Å; R354-E393 IonicContact NE-OE2 3.93Å; R354-E393 IonicContact NH2-OE2 2.8Å; R354-E393 PolarHBondContact NH2-OE2 3.19Å; L389-E393 HydrophobicContact CB-CB 4.29Å; L389-E393 HydrophobicContact CD2-CB 3.95Å; L389-E393 HydrophobicContact CD2-CG 4.28Å; P390-E393 HydrophobicContact CB-CB 4.47Å; P390-E393 HydrophobicContact CB-CG 4.33Å; P390-E393 HydrophobicContact CG-CG 4.14Å; P390-E393 PolarHBondContact O-N 3.01Å; E393-R396 PolarHBondContact O-N 3.19Å; E393-R396 IonicContact OE1-CZ 3.71Å; E393-R396 IonicContact OE1-NH1 3.42Å; E393-R396 PolarHBondContact OE1-NH1 2.89Å; E393-R396 IonicContact OE1-NH2 3.5Å; E393-R396 PolarHBondContact OE1-NH2 3.14Å; E393-R396 IonicContact OE2-CZ 2.76Å; E393-R396 IonicContact OE2-NH1 3.62Å; E393-R396 IonicContact OE2-NH2 3.69Å; E393-R396 PolarHBondContact OE2-NH2 3.25Å; E393-L397 WeakPolarHBondContact O-CG 3.31Å; E393-L397 PolarHBondContact O-N 3.31Å
394	M	95.2	Very high	93.6	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-63.7	-43	177	-172.7	53.4	68	0	0	112	F386 L389 P390 V391 L397 L398 L415 W418 L433	F386-M394 HydrophobicContact CD2-CE 4.33Å; F386-M394 HydrophobicContact CE1-CE 4.04Å; F386-M394 HydrophobicContact CE2-CE 3.64Å; F386-M394 HydrophobicContact CE2-SD 4.33Å; F386-M394 HydrophobicContact CZ-CE 3.47Å; F386-M394 VanDerWaalsContact CZ-CE 3.47Å; F386-M394 HydrophobicContact CZ-SD 4.18Å; L389-M394 HydrophobicContact CD1-CE 4.19Å; P390-M394 PolarHBondContact O-N 2.85Å; P390-M394 VanDerWaalsContact O-N 3.08Å; V391-M394 WeakPolarHBondContact O-CB 3.27Å; V391-M394 PolarHBondContact O-N 3.49Å; M394-L397 PolarHBondContact O-N 3.13Å; M394-L398 HydrophobicContact CG-CD1 3.99Å; M394-L398 HydrophobicContact CG-CG 4.41Å; M394-L398 WeakPolarHBondContact O-CG 3.47Å; M394-L398 PolarHBondContact O-N 3.16Å; M394-L398 HydrophobicContact SD-CD1 4.2Å; M394-L398 HydrophobicContact SD-CG 4.11Å; M394-L415 HydrophobicContact CG-CD1 4.46Å; M394-W418 HydrophobicContact CB-CH2 4.4Å; M394-W418 HydrophobicContact CB-CZ2 4.17Å; M394-W418 HydrophobicContact CE-CB 3.89Å; M394-W418 VanDerWaalsContact CE-CD1 3.46Å; M394-W418 HydrophobicContact CE-CD2 3.83Å; M394-W418 HydrophobicContact CE-CG 3.47Å; M394-W418 VanDerWaalsContact CE-CG 3.47Å; M394-W418 HydrophobicContact CG-CD2 4.26Å; M394-W418 HydrophobicContact CG-CE3 4.26Å; M394-W418 HydrophobicContact CG-CZ3 4.42Å; M394-L433 HydrophobicContact CB-CD2 4.36Å; M394-L433 HydrophobicContact CG-CD1 4.27Å; M394-L433 HydrophobicContact CG-CD2 4.18Å
395	E	95.5	Very high	93.7	Very high	77 Å²	77	40 Å²	40	36%	0.36	21%	0.207	S	C	.	.	H	α-helix	trans	-61.9	-46.1	175.8	-177.1	161.3	-145.6	0	0	111.7	V391 L397 L398 T399 L433 H436	V391-E395 WeakPolarHBondContact O-CB 3.48Å; V391-E395 PolarHBondContact O-N 2.89Å; E395-L397 VanDerWaalsContact C-N 3.31Å; E395-L397 PolarHBondContact O-N 3.37Å; E395-L398 PolarHBondContact O-N 3.44Å; E395-T399 WeakPolarHBondContact O-CB 3.48Å; E395-T399 PolarHBondContact O-N 2.87Å; E395-T399 PolarHBondContact O-OG1 3Å; E395-L433 HydrophobicContact CB-CD2 3.78Å; E395-H436 IonicContact OE1-CD2 2.71Å; E395-H436 IonicContact OE1-CE1 3.87Å; E395-H436 IonicContact OE1-NE2 2.85Å; E395-H436 PolarHBondContact OE1-NE2 3.31Å
396	R	93.3	Very high	93.7	Very high	124 Å²	124	41.7 Å²	41.7	47%	0.468	22%	0.222	S	C	.	.	H	α-helix	trans	-61	-36.5	174.4	-76.1	-143.9	-97.4	67.2	167.8	112.9	E392 E393	E392-R396 WeakPolarHBondContact O-CB 3.31Å; E392-R396 WeakPolarHBondContact O-CG 3.48Å; E392-R396 PolarHBondContact O-N 3.13Å; E393-R396 PolarHBondContact O-N 3.19Å; E393-R396 IonicContact OE1-CZ 3.71Å; E393-R396 IonicContact OE1-NH1 3.42Å; E393-R396 PolarHBondContact OE1-NH1 2.89Å; E393-R396 IonicContact OE1-NH2 3.5Å; E393-R396 PolarHBondContact OE1-NH2 3.14Å; E393-R396 IonicContact OE2-CZ 2.76Å; E393-R396 IonicContact OE2-NH1 3.62Å; E393-R396 IonicContact OE2-NH2 3.69Å; E393-R396 PolarHBondContact OE2-NH2 3.25Å
397	L	94.3	Very high	93.6	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-65.3	-56.6	173.4	-73.1	176.1	0	0	0	111.1	T373 M374 F386 L389 E393 M394 E395 T399 S400 I403	T373-L397 HydrophobicContact CG2-CD2 4.19Å; M374-L397 HydrophobicContact CE-CD2 3.45Å; M374-L397 VanDerWaalsContact CE-CD2 3.45Å; F386-L397 HydrophobicContact CD2-CD1 4.47Å; F386-L397 HydrophobicContact CE2-CD1 4.22Å; L389-L397 HydrophobicContact CD1-CD1 3.46Å; L389-L397 VanDerWaalsContact CD1-CD1 3.46Å; E393-L397 WeakPolarHBondContact O-CG 3.31Å; E393-L397 PolarHBondContact O-N 3.31Å; M394-L397 PolarHBondContact O-N 3.13Å; E395-L397 VanDerWaalsContact C-N 3.31Å; E395-L397 PolarHBondContact O-N 3.37Å; L397-T399 VanDerWaalsContact C-N 3.26Å; L397-T399 PolarHBondContact O-N 3.13Å; L397-S400 VanDerWaalsContact O-CB 3.27Å; L397-S400 WeakPolarHBondContact O-CB 3.34Å; L397-S400 PolarHBondContact O-N 3.01Å; L397-I403 WeakPolarHBondContact O-CD1 3.48Å
398	L	94.9	Very high	93.7	Very high	3 Å²	3	43 Å²	43	2%	0.016	23%	0.229	C	C	.	.	H	α-helix	trans	-61.9	-31.4	-174.3	-68.5	172.6	0	0	0	113.5	M394 E395 S400 V411 L415 L433 H436 V437 R490	M394-L398 HydrophobicContact CG-CD1 3.99Å; M394-L398 HydrophobicContact CG-CG 4.41Å; M394-L398 WeakPolarHBondContact O-CG 3.47Å; M394-L398 PolarHBondContact O-N 3.16Å; M394-L398 HydrophobicContact SD-CD1 4.2Å; M394-L398 HydrophobicContact SD-CG 4.11Å; E395-L398 PolarHBondContact O-N 3.44Å; L398-S400 VanDerWaalsContact C-N 3.26Å; L398-S400 PolarHBondContact O-N 3.39Å; L398-V411 HydrophobicContact CD2-CG1 3.52Å; L398-L415 HydrophobicContact CD1-CD1 4.12Å; L398-L415 HydrophobicContact CD1-CD2 4.04Å; L398-L415 HydrophobicContact CD1-CG 4.47Å; L398-L433 HydrophobicContact CD1-CB 3.87Å; L398-L433 HydrophobicContact CD1-CD2 4.09Å; L398-H436 HydrophobicContact CB-CB 4.11Å; L398-V437 HydrophobicContact CD2-CG2 4.33Å; L398-R490 PolarHBondContact O-NH1 2.96Å; L398-R490 PolarHBondContact O-NH2 2.99Å; L398-R490 VanDerWaalsContact O-NH2 3.13Å
399	T	94.8	Very high	93.8	Very high	72 Å²	72	41.4 Å²	41.4	44%	0.442	22%	0.217	S	C	.	.	H	α-helix	trans	-67.3	-24.7	176	-54.9	0	0	0	0	112.6	E395 L397	E395-T399 WeakPolarHBondContact O-CB 3.48Å; E395-T399 PolarHBondContact O-N 2.87Å; E395-T399 PolarHBondContact O-OG1 3Å; L397-T399 VanDerWaalsContact C-N 3.26Å; L397-T399 PolarHBondContact O-N 3.13Å
400	S	93.3	Very high	93.9	Very high	20 Å²	20	42.5 Å²	42.5	14%	0.14	22%	0.224	C	C	.	.			trans	-68.5	129.8	-172.5	-175.8	0	0	0	0	114	M374 L397 L398 D402 R490	M374-S400 PolarHBondContact SD-OG 3.45Å; M374-S400 VanDerWaalsContact SD-OG 3.35Å; L397-S400 VanDerWaalsContact O-CB 3.27Å; L397-S400 WeakPolarHBondContact O-CB 3.34Å; L397-S400 PolarHBondContact O-N 3.01Å; L398-S400 VanDerWaalsContact C-N 3.26Å; L398-S400 PolarHBondContact O-N 3.39Å; S400-D402 PolarHBondContact O-N 3.08Å; S400-D402 PolarHBondContact OG-N 2.76Å; S400-R490 PolarHBondContact O-NH1 3.37Å
401	D	91.8	Very high	94	Very high	41 Å²	41	39.2 Å²	39.2	22%	0.219	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-16.7	171.5	-80.5	3.6	0	0	0	113.5	R438 R488 K491	D401-R438 IonicContact OD1-CZ 3.36Å; D401-R438 IonicContact OD1-NH1 2.86Å; D401-R438 IonicContact OD1-NH2 3.29Å; D401-R438 PolarHBondContact OD1-NH2 2.81Å; D401-R488 IonicContact OD2-CZ 3.21Å; D401-R488 IonicContact OD2-NH1 2.68Å; D401-R488 PolarHBondContact OD2-NH1 2.71Å; D401-K491 HydrophobicContact CB-CG 4.31Å; D401-K491 PolarHBondContact O-N 3.11Å
402	D	92.7	Very high	94.1	Very high	45 Å²	45	37.9 Å²	37.9	24%	0.241	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-1	-165.8	-76.5	-66.3	0	0	0	114.8	M374 S400 N404 K491 R518	M374-D402 HydrophobicContact CG-CB 4.3Å; M374-D402 HydrophobicContact SD-CB 4.32Å; S400-D402 PolarHBondContact O-N 3.08Å; S400-D402 PolarHBondContact OG-N 2.76Å; D402-N404 PolarHBondContact O-N 3.21Å; D402-K491 VanDerWaalsContact OD1-CD 3.29Å; D402-K491 WeakPolarHBondContact OD1-CD 3.29Å; D402-K491 VanDerWaalsContact OD1-CE 3.28Å; D402-K491 WeakPolarHBondContact OD1-CE 3.31Å; D402-K491 IonicContact OD1-NZ 3.18Å; D402-K491 PolarHBondContact OD1-NZ 3.21Å; D402-K491 WeakPolarHBondContact OD2-CE 3.26Å; D402-K491 IonicContact OD2-NZ 3.16Å; D402-K491 PolarHBondContact OD2-NZ 2.98Å; D402-R518 HydrophobicContact CB-CG 4.3Å; D402-R518 VanDerWaalsContact O-CD 3.31Å; D402-R518 WeakPolarHBondContact O-CD 3.4Å; D402-R518 WeakPolarHBondContact OD1-CG 3.21Å
403	I	94.1	Very high	94.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.19	C	C	.	.			trans	-56.8	125.5	176.6	-44	179.2	0	0	0	110.2	M374 F377 L397 V405 R490 A492	M374-I403 HydrophobicContact SD-CG1 4.15Å; F377-I403 HydrophobicContact CB-CG2 3.67Å; F377-I403 HydrophobicContact CD1-CG2 3.37Å; F377-I403 HydrophobicContact CD2-CG2 3.58Å; F377-I403 HydrophobicContact CE1-CG2 3.8Å; F377-I403 HydrophobicContact CE2-CG2 3.99Å; F377-I403 HydrophobicContact CG-CG2 3.24Å; F377-I403 HydrophobicContact CZ-CG2 4.09Å; L397-I403 WeakPolarHBondContact O-CD1 3.48Å; I403-V405 HydrophobicContact CG2-CG1 3.92Å; I403-V405 PolarHBondContact O-N 3.17Å; I403-V405 VanDerWaalsContact O-N 3.11Å; I403-R490 VanDerWaalsContact CD1-NH1 3.32Å; I403-A492 WeakPolarHBondContact O-CB 3.45Å
404	N	94.2	Very high	94.3	Very high	48 Å²	48	35 Å²	35	26%	0.257	19%	0.187	S	C	.	.			trans	-81.3	86.5	175.2	-169.9	37.1	0	0	0	111.4	M374 E375 D402 R518	M374-N404 WeakPolarHBondContact O-CB 3.48Å; M374-N404 PolarHBondContact O-N 3.38Å; E375-N404 WeakPolarHBondContact O-CB 3.48Å; E375-N404 PolarHBondContact O-ND2 2.69Å; D402-N404 PolarHBondContact O-N 3.21Å; N404-R518 PolarHBondContact ND2-NH2 2.64Å; N404-R518 PolarHBondContact OD1-NH2 2.77Å
405	V	93.5	Very high	94.4	Very high	3 Å²	3	35 Å²	35	2%	0.018	19%	0.187	C	C	.	.			trans	-124.8	149.7	174.1	-74.4	0	0	0	0	110.9	F377 L378 I403 D407 T410 V411 A492 T493	F377-V405 HydrophobicContact CD1-CG1 3.68Å; F377-V405 HydrophobicContact CE1-CG1 4.05Å; L378-V405 HydrophobicContact CD2-CG1 4.06Å; I403-V405 HydrophobicContact CG2-CG1 3.92Å; I403-V405 PolarHBondContact O-N 3.17Å; I403-V405 VanDerWaalsContact O-N 3.11Å; V405-D407 VanDerWaalsContact C-N 3.34Å; V405-D407 WeakPolarHBondContact CB-O 3.49Å; V405-D407 WeakPolarHBondContact CG2-O 3.47Å; V405-T410 HydrophobicContact CB-CG2 4.46Å; V405-T410 HydrophobicContact CG1-CG2 3.84Å; V405-V411 HydrophobicContact CB-CG2 4.36Å; V405-V411 HydrophobicContact CG1-CG2 4.06Å; V405-V411 HydrophobicContact CG2-CG2 3.81Å; V405-A492 WeakPolarHBondContact O-CB 3.37Å; V405-T493 HydrophobicContact CG2-CG2 4.25Å
406	P	91.9	Very high	94.3	Very high	79 Å²	79	32.2 Å²	32.2	51%	0.513	18%	0.175	S	C	.	.	S	Bend	trans	-68.4	-35.4	172.8	27.1	-32.3	0	0	0	112.1
407	D	92.6	Very high	94.4	Very high	53 Å²	53	29 Å²	29	28%	0.283	17%	0.171	S	C	.	.			trans	-151	173.2	-172	53.5	61.5	0	0	0	111.5	V405 E409 T410	V405-D407 VanDerWaalsContact C-N 3.34Å; V405-D407 WeakPolarHBondContact CB-O 3.49Å; V405-D407 WeakPolarHBondContact CG2-O 3.47Å; D407-E409 PolarHBondContact OD1-N 3.22Å; D407-E409 VanDerWaalsContact OD1-N 3.14Å; D407-T410 VanDerWaalsContact OD1-CB 3.29Å; D407-T410 WeakPolarHBondContact OD1-CB 3.4Å; D407-T410 PolarHBondContact OD1-N 2.84Å; D407-T410 PolarHBondContact OD1-OG1 3.03Å
408	E	94	Very high	94.5	Very high	10 Å²	10	28.9 Å²	28.9	5%	0.047	17%	0.171	C	C	.	.	H	α-helix	trans	-85.4	-15.1	176.2	-161	77	-179.9	0	0	112.2	T410 V411 V412 V437 R438 L442 R490	E408-T410 VanDerWaalsContact C-N 3.31Å; E408-T410 PolarHBondContact O-N 3.21Å; E408-V411 HydrophobicContact CG-CB 4.46Å; E408-V411 WeakPolarHBondContact O-CB 3.38Å; E408-V411 PolarHBondContact O-N 3.12Å; E408-V412 PolarHBondContact O-N 3.24Å; E408-V437 HydrophobicContact CG-CG1 3.69Å; E408-V437 WeakPolarHBondContact OE1-CA 3.37Å; E408-V437 WeakPolarHBondContact OE1-CG1 3.47Å; E408-R438 HydrophobicContact CG-CB 3.9Å; E408-R438 PolarHBondContact OE1-N 3.46Å; E408-R438 WeakPolarHBondContact OE2-CD 3.45Å; E408-L442 VanDerWaalsContact C-CD2 3.49Å; E408-L442 HydrophobicContact CB-CD2 3.74Å; E408-L442 HydrophobicContact CG-CD2 4.14Å; E408-R490 IonicContact OE1-CZ 3.97Å; E408-R490 IonicContact OE1-NE 3.73Å; E408-R490 PolarHBondContact OE1-NE 3.24Å; E408-R490 IonicContact OE1-NH2 3.89Å; E408-R490 PolarHBondContact OE1-NH2 2.75Å; E408-R490 WeakPolarHBondContact OE2-CD 3.45Å; E408-R490 IonicContact OE2-CZ 3.85Å; E408-R490 IonicContact OE2-NE 3.6Å; E408-R490 PolarHBondContact OE2-NE 3.29Å; E408-R490 IonicContact OE2-NH2 2.65Å
409	E	95.1	Very high	94.5	Very high	38 Å²	38	28.8 Å²	28.8	18%	0.178	17%	0.17	C	C	.	.	H	α-helix	trans	-65	-39.2	177.8	-60.1	178.5	-161.7	0	0	110.1	D407 V411 V412 T413 L442 Q443 F446	D407-E409 PolarHBondContact OD1-N 3.22Å; D407-E409 VanDerWaalsContact OD1-N 3.14Å; E409-V411 VanDerWaalsContact C-N 3.32Å; E409-V411 PolarHBondContact O-N 3.07Å; E409-V412 PolarHBondContact O-N 3.45Å; E409-T413 WeakPolarHBondContact O-CB 3.44Å; E409-T413 PolarHBondContact O-N 3.05Å; E409-T413 PolarHBondContact O-OG1 2.67Å; E409-L442 HydrophobicContact CB-CD2 4.27Å; E409-L442 HydrophobicContact CG-CD2 3.59Å; E409-Q443 WeakPolarHBondContact OE1-CB 3.44Å; E409-Q443 WeakPolarHBondContact OE1-CG 3.34Å; E409-Q443 PolarHBondContact OE1-N 3.38Å; E409-Q443 PolarHBondContact OE1-NE2 3.48Å; E409-F446 HydrophobicContact CB-CD1 4.15Å; E409-F446 HydrophobicContact CB-CD2 4.37Å; E409-F446 HydrophobicContact CB-CE1 3.88Å; E409-F446 HydrophobicContact CB-CE2 4.13Å; E409-F446 HydrophobicContact CB-CG 4.37Å; E409-F446 HydrophobicContact CB-CZ 3.87Å; E409-F446 HydrophobicContact CG-CB 4.34Å; E409-F446 HydrophobicContact CG-CD1 3.7Å; E409-F446 HydrophobicContact CG-CD2 4.27Å; E409-F446 HydrophobicContact CG-CE1 3.95Å; E409-F446 HydrophobicContact CG-CE2 4.5Å; E409-F446 HydrophobicContact CG-CG 3.86Å; E409-F446 HydrophobicContact CG-CZ 4.35Å
410	T	95.3	Very high	94.5	Very high	36 Å²	36	28.7 Å²	28.7	22%	0.221	17%	0.173	C	C	.	.	H	α-helix	trans	-55.7	-43.5	168.1	-58.7	0	0	0	0	111.8	L378 V405 D407 E408 T413 S414	L378-T410 HydrophobicContact CD2-CG2 3.63Å; V405-T410 HydrophobicContact CB-CG2 4.46Å; V405-T410 HydrophobicContact CG1-CG2 3.84Å; D407-T410 VanDerWaalsContact OD1-CB 3.29Å; D407-T410 WeakPolarHBondContact OD1-CB 3.4Å; D407-T410 PolarHBondContact OD1-N 2.84Å; D407-T410 PolarHBondContact OD1-OG1 3.03Å; E408-T410 VanDerWaalsContact C-N 3.31Å; E408-T410 PolarHBondContact O-N 3.21Å; T410-T413 PolarHBondContact O-N 3.48Å; T410-S414 WeakPolarHBondContact O-CB 3.14Å; T410-S414 PolarHBondContact O-N 2.96Å; T410-S414 PolarHBondContact O-OG 3.24Å
411	V	96.4	Very high	94.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-68.2	-44.9	-178.9	-176	0	0	0	0	110.9	L398 V405 E408 E409 T413 S414 L415 V437	L398-V411 HydrophobicContact CD2-CG1 3.52Å; V405-V411 HydrophobicContact CB-CG2 4.36Å; V405-V411 HydrophobicContact CG1-CG2 4.06Å; V405-V411 HydrophobicContact CG2-CG2 3.81Å; E408-V411 HydrophobicContact CG-CB 4.46Å; E408-V411 WeakPolarHBondContact O-CB 3.38Å; E408-V411 PolarHBondContact O-N 3.12Å; E409-V411 VanDerWaalsContact C-N 3.32Å; E409-V411 PolarHBondContact O-N 3.07Å; V411-T413 VanDerWaalsContact C-N 3.35Å; V411-T413 PolarHBondContact O-N 2.76Å; V411-S414 PolarHBondContact O-N 3.26Å; V411-L415 PolarHBondContact O-N 2.97Å; V411-L415 VanDerWaalsContact O-N 3.07Å; V411-V437 HydrophobicContact CG1-CG1 4.39Å; V411-V437 HydrophobicContact CG1-CG2 4.43Å
412	V	96	Very high	94.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-59.2	-47.2	173.6	179.1	0	0	0	0	110.6	E408 E409 S414 L415 L416 V437 L439 L442 F446 L450	E408-V412 PolarHBondContact O-N 3.24Å; E409-V412 PolarHBondContact O-N 3.45Å; V412-S414 VanDerWaalsContact C-N 3.31Å; V412-S414 PolarHBondContact O-N 3.24Å; V412-L415 PolarHBondContact O-N 3.19Å; V412-L416 HydrophobicContact CG1-CD1 3.83Å; V412-L416 HydrophobicContact CG1-CG 4.17Å; V412-L416 WeakPolarHBondContact O-CG 3.46Å; V412-L416 PolarHBondContact O-N 2.87Å; V412-V437 HydrophobicContact CG2-CG1 3.62Å; V412-L439 HydrophobicContact CG2-CD2 4.22Å; V412-L442 HydrophobicContact CG2-CD1 4.07Å; V412-L442 HydrophobicContact CG2-CD2 4.08Å; V412-F446 HydrophobicContact CB-CE1 3.99Å; V412-F446 HydrophobicContact CB-CZ 4.34Å; V412-F446 HydrophobicContact CG1-CE1 4.15Å; V412-F446 HydrophobicContact CG1-CZ 4.44Å; V412-F446 HydrophobicContact CG2-CE1 4.23Å; V412-L450 HydrophobicContact CG1-CD1 3.96Å; V412-L450 HydrophobicContact CG1-CD2 3.59Å; V412-L450 HydrophobicContact CG1-CG 4.43Å; V412-L450 HydrophobicContact CG2-CD1 4.43Å
413	T	95.3	Very high	94.5	Very high	79 Å²	79	33.5 Å²	33.5	49%	0.485	20%	0.197	S	C	.	.	H	α-helix	trans	-62.2	-39.5	-179	-56.1	0	0	0	0	111.6	E409 T410 V411 L416 S417	E409-T413 WeakPolarHBondContact O-CB 3.44Å; E409-T413 PolarHBondContact O-N 3.05Å; E409-T413 PolarHBondContact O-OG1 2.67Å; T410-T413 PolarHBondContact O-N 3.48Å; V411-T413 VanDerWaalsContact C-N 3.35Å; V411-T413 PolarHBondContact O-N 2.76Å; T413-L416 PolarHBondContact O-N 3.14Å; T413-S417 WeakPolarHBondContact O-CB 3.4Å; T413-S417 PolarHBondContact O-N 3.29Å
414	S	95.9	Very high	94.3	Very high	5 Å²	5	37.5 Å²	37.5	4%	0.035	23%	0.229	C	C	.	.	H	α-helix	trans	-61.1	-46.7	174.6	-54.7	0	0	0	0	111.9	T410 V411 V412 S417 W418	T410-S414 WeakPolarHBondContact O-CB 3.14Å; T410-S414 PolarHBondContact O-N 2.96Å; T410-S414 PolarHBondContact O-OG 3.24Å; V411-S414 PolarHBondContact O-N 3.26Å; V412-S414 VanDerWaalsContact C-N 3.31Å; V412-S414 PolarHBondContact O-N 3.24Å; S414-S417 PolarHBondContact O-N 2.71Å; S414-W418 PolarHBondContact O-N 3.18Å; S414-W418 VanDerWaalsContact O-N 3.08Å
415	L	96.7	Very high	94.3	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-63.6	-46.1	176.6	170.1	57.7	0	0	0	111.9	M394 L398 V411 V412 S417 W418 V419 L430 L433 L434 V437	M394-L415 HydrophobicContact CG-CD1 4.46Å; L398-L415 HydrophobicContact CD1-CD1 4.12Å; L398-L415 HydrophobicContact CD1-CD2 4.04Å; L398-L415 HydrophobicContact CD1-CG 4.47Å; V411-L415 PolarHBondContact O-N 2.97Å; V411-L415 VanDerWaalsContact O-N 3.07Å; V412-L415 PolarHBondContact O-N 3.19Å; L415-S417 VanDerWaalsContact C-N 3.34Å; L415-S417 PolarHBondContact O-N 3.32Å; L415-W418 HydrophobicContact CD1-CE3 4.18Å; L415-W418 PolarHBondContact O-N 3.36Å; L415-V419 HydrophobicContact CD1-CG2 4.06Å; L415-V419 WeakPolarHBondContact O-CG2 3.35Å; L415-V419 PolarHBondContact O-N 3.22Å; L415-L430 HydrophobicContact CD1-CD1 4.34Å; L415-L430 HydrophobicContact CD2-CD1 3.93Å; L415-L430 HydrophobicContact CG-CD1 3.98Å; L415-L433 HydrophobicContact CD1-CB 3.87Å; L415-L433 HydrophobicContact CD1-CD1 3.86Å; L415-L433 HydrophobicContact CD1-CG 4.49Å; L415-L433 HydrophobicContact CD2-CB 4.03Å; L415-L434 HydrophobicContact CD2-CD1 4.34Å; L415-V437 HydrophobicContact CD2-CG2 4.19Å
416	L	95.3	Very high	94.3	Very high	17 Å²	17	39.2 Å²	39.2	9%	0.089	24%	0.239	C	C	.	.	H	α-helix	trans	-65	-36.5	179.1	-67.6	178.2	0	0	0	112.1	V412 T413 V419 S420 L430 L450 L455 L456	V412-L416 HydrophobicContact CG1-CD1 3.83Å; V412-L416 HydrophobicContact CG1-CG 4.17Å; V412-L416 WeakPolarHBondContact O-CG 3.46Å; V412-L416 PolarHBondContact O-N 2.87Å; T413-L416 PolarHBondContact O-N 3.14Å; L416-V419 PolarHBondContact O-N 3.32Å; L416-S420 VanDerWaalsContact O-CB 3.3Å; L416-S420 WeakPolarHBondContact O-CB 3.45Å; L416-S420 PolarHBondContact O-N 2.88Å; L416-S420 PolarHBondContact O-OG 2.77Å; L416-L430 HydrophobicContact CD2-CD1 4.2Å; L416-L430 HydrophobicContact CD2-CD2 4.23Å; L416-L450 HydrophobicContact CD1-CD2 3.88Å; L416-L455 HydrophobicContact CD2-CB 4.4Å; L416-L455 HydrophobicContact CD2-CD1 4.1Å; L416-L456 HydrophobicContact CD2-CD1 4.38Å; L416-L456 HydrophobicContact CD2-CD2 4.42Å; L416-L456 HydrophobicContact CD2-CG 4.31Å
417	S	94.8	Very high	94.3	Very high	57 Å²	57	39.4 Å²	39.4	40%	0.399	23%	0.233	S	C	.	.	H	α-helix	trans	-60.2	-47.8	171.5	-177.5	0	0	0	0	111.8	T413 S414 L415 V419 S420 H421	T413-S417 WeakPolarHBondContact O-CB 3.4Å; T413-S417 PolarHBondContact O-N 3.29Å; S414-S417 PolarHBondContact O-N 2.71Å; L415-S417 VanDerWaalsContact C-N 3.34Å; L415-S417 PolarHBondContact O-N 3.32Å; S417-V419 PolarHBondContact O-N 2.95Å; S417-S420 PolarHBondContact O-N 2.86Å; S417-H421 PolarHBondContact O-N 3.19Å
418	W	96.3	Very high	94.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-63.8	-40.9	177.2	176.1	91.8	0	0	0	113	F386 L389 V391 M394 S414 L415 H421 R426 L433	F386-W418 HydrophobicContact CE1-CB 4.12Å; L389-W418 WeakPolarHBondContact O-CZ2 3.46Å; L389-W418 PolarHBondContact O-NE1 3.14Å; V391-W418 HydrophobicContact CB-CH2 4.45Å; V391-W418 HydrophobicContact CG2-CH2 4.16Å; M394-W418 HydrophobicContact CB-CH2 4.4Å; M394-W418 HydrophobicContact CB-CZ2 4.17Å; M394-W418 HydrophobicContact CE-CB 3.89Å; M394-W418 VanDerWaalsContact CE-CD1 3.46Å; M394-W418 HydrophobicContact CE-CD2 3.83Å; M394-W418 HydrophobicContact CE-CG 3.47Å; M394-W418 VanDerWaalsContact CE-CG 3.47Å; M394-W418 HydrophobicContact CG-CD2 4.26Å; M394-W418 HydrophobicContact CG-CE3 4.26Å; M394-W418 HydrophobicContact CG-CZ3 4.42Å; S414-W418 PolarHBondContact O-N 3.18Å; S414-W418 VanDerWaalsContact O-N 3.08Å; L415-W418 HydrophobicContact CD1-CE3 4.18Å; L415-W418 PolarHBondContact O-N 3.36Å; W418-H421 PolarHBondContact O-N 2.83Å; W418-R426 VanDerWaalsContact CE2-CZ 3.47Å; W418-R426 HydrophobicContact CE3-CB 4.4Å; W418-R426 HydrophobicContact CE3-CG 4.4Å; W418-R426 HydrophobicContact CH2-CB 4.13Å; W418-R426 HydrophobicContact CH2-CG 3.73Å; W418-R426 HydrophobicContact CZ2-CG 4.14Å; W418-R426 HydrophobicContact CZ3-CB 3.82Å; W418-R426 HydrophobicContact CZ3-CG 3.87Å; W418-R426 VanDerWaalsContact O-CD 3.31Å; W418-R426 WeakPolarHBondContact O-CD 3.24Å; W418-R426 PolarHBondContact O-NH1 3.5Å; W418-L433 HydrophobicContact CE3-CD1 4.34Å; W418-L433 HydrophobicContact CH2-CD1 3.99Å; W418-L433 HydrophobicContact CZ3-CD1 3.48Å; W418-L433 VanDerWaalsContact CZ3-CD1 3.48Å
419	V	95.6	Very high	94.3	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-65.5	-39.2	173.7	175.3	0	0	0	0	111.2	L415 L416 S417 H421 D422 P423 R426 Q427 L430	L415-V419 HydrophobicContact CD1-CG2 4.06Å; L415-V419 WeakPolarHBondContact O-CG2 3.35Å; L415-V419 PolarHBondContact O-N 3.22Å; L416-V419 PolarHBondContact O-N 3.32Å; S417-V419 PolarHBondContact O-N 2.95Å; V419-H421 PolarHBondContact O-N 3Å; V419-D422 CarbonylContact O-C 3.53Å; V419-D422 PolarHBondContact O-N 3.45Å; V419-P423 WeakPolarHBondContact O-CA 3.37Å; V419-P423 VanDerWaalsContact O-N 3.1Å; V419-R426 HydrophobicContact CB-CB 4.45Å; V419-R426 HydrophobicContact CG1-CB 4.24Å; V419-R426 HydrophobicContact CG2-CB 4.26Å; V419-Q427 HydrophobicContact CG1-CB 4.41Å; V419-L430 HydrophobicContact CG1-CD2 4.46Å; V419-L430 HydrophobicContact CG2-CB 4.38Å; V419-L430 HydrophobicContact CG2-CD1 4.17Å
420	S	93.5	Very high	94.3	Very high	71 Å²	71	46 Å²	46	50%	0.497	26%	0.255	S	S	.	.	H	α-helix	trans	-64.4	-20.3	179.8	-59.4	0	0	0	0	113.8	L416 S417	L416-S420 VanDerWaalsContact O-CB 3.3Å; L416-S420 WeakPolarHBondContact O-CB 3.45Å; L416-S420 PolarHBondContact O-N 2.88Å; L416-S420 PolarHBondContact O-OG 2.77Å; S417-S420 PolarHBondContact O-N 2.86Å
421	H	93.9	Very high	94.3	Very high	96 Å²	96	45.6 Å²	45.6	44%	0.444	25%	0.253	S	S	.	.	H	α-helix	trans	-74.2	-29.9	177.1	-168.5	60.2	0	0	0	113.5	L387 S417 W418 V419	L387-H421 HydrophobicContact CD2-CB 4.42Å; L387-H421 PolarHBondContact O-CD2 2.83Å; S417-H421 PolarHBondContact O-N 3.19Å; W418-H421 PolarHBondContact O-N 2.83Å; V419-H421 PolarHBondContact O-N 3Å
422	D	93.4	Very high	94.3	Very high	53 Å²	53	48.2 Å²	48.2	28%	0.283	27%	0.271	S	S	.	.			trans	-148.8	80.8	170.5	176.8	4.9	0	0	0	109.9	V419 A424 T425 R426	V419-D422 CarbonylContact O-C 3.53Å; V419-D422 PolarHBondContact O-N 3.45Å; D422-A424 VanDerWaalsContact C-N 3.27Å; D422-A424 PolarHBondContact O-N 3.29Å; D422-A424 PolarHBondContact OD1-N 2.93Å; D422-T425 PolarHBondContact OD1-N 2.77Å; D422-T425 WeakPolarHBondContact OD2-CB 3.33Å; D422-T425 WeakPolarHBondContact OD2-CG2 3.42Å; D422-T425 PolarHBondContact OD2-OG1 3.19Å; D422-R426 HydrophobicContact CB-CG 4.38Å; D422-R426 WeakPolarHBondContact O-CB 3.4Å; D422-R426 VanDerWaalsContact O-CG 3.24Å; D422-R426 WeakPolarHBondContact O-CG 3.22Å; D422-R426 PolarHBondContact O-N 3.01Å
423	P	90.9	Very high	94.3	Very high	58 Å²	58	48.2 Å²	48.2	38%	0.377	27%	0.271	S	S	.	.	H	α-helix	trans	-67.1	-29.8	-179.1	25.7	-33.6	0	0	0	112	V419 T425 R426 Q427	V419-P423 WeakPolarHBondContact O-CA 3.37Å; V419-P423 VanDerWaalsContact O-N 3.1Å; P423-T425 PolarHBondContact O-N 2.66Å; P423-R426 PolarHBondContact O-N 2.72Å; P423-Q427 WeakPolarHBondContact O-CB 3.49Å; P423-Q427 PolarHBondContact O-N 3.37Å
424	A	90.6	Very high	94.3	Very high	83 Å²	83	44.5 Å²	44.5	69%	0.686	25%	0.248	S	C	*	.	H	α-helix	trans	-66.5	-35.5	-175.1	0	0	0	0	0	112.8	D422 R428	D422-A424 VanDerWaalsContact C-N 3.27Å; D422-A424 PolarHBondContact O-N 3.29Å; D422-A424 PolarHBondContact OD1-N 2.93Å; A424-R428 PolarHBondContact O-NH2 3.39Å
425	T	92.6	Very high	94.3	Very high	66 Å²	66	46 Å²	46	41%	0.405	26%	0.261	S	S	.	.	H	α-helix	trans	-88.3	-46.9	168.6	74.4	0	0	0	0	111.9	D422 P423 R428	D422-T425 PolarHBondContact OD1-N 2.77Å; D422-T425 WeakPolarHBondContact OD2-CB 3.33Å; D422-T425 WeakPolarHBondContact OD2-CG2 3.42Å; D422-T425 PolarHBondContact OD2-OG1 3.19Å; P423-T425 PolarHBondContact O-N 2.66Å; T425-R428 WeakPolarHBondContact O-CG 3.45Å; T425-R428 PolarHBondContact O-NE 2.84Å
426	R	93.8	Very high	94.2	Very high	22 Å²	22	48.6 Å²	48.6	8%	0.083	27%	0.273	C	S	.	.	H	α-helix	trans	-82.7	-26.3	-162.1	-59.9	172.8	173.4	177.6	-5.9	115.3	L387 L389 W418 V419 D422 P423 R428 H429 L430	L387-R426 VanDerWaalsContact O-CZ 3.28Å; L387-R426 PolarHBondContact O-NH1 2.96Å; L387-R426 PolarHBondContact O-NH2 2.83Å; L389-R426 PolarHBondContact O-NH2 2.86Å; W418-R426 VanDerWaalsContact CE2-CZ 3.47Å; W418-R426 HydrophobicContact CE3-CB 4.4Å; W418-R426 HydrophobicContact CE3-CG 4.4Å; W418-R426 HydrophobicContact CH2-CB 4.13Å; W418-R426 HydrophobicContact CH2-CG 3.73Å; W418-R426 HydrophobicContact CZ2-CG 4.14Å; W418-R426 HydrophobicContact CZ3-CB 3.82Å; W418-R426 HydrophobicContact CZ3-CG 3.87Å; W418-R426 VanDerWaalsContact O-CD 3.31Å; W418-R426 WeakPolarHBondContact O-CD 3.24Å; W418-R426 PolarHBondContact O-NH1 3.5Å; V419-R426 HydrophobicContact CB-CB 4.45Å; V419-R426 HydrophobicContact CG1-CB 4.24Å; V419-R426 HydrophobicContact CG2-CB 4.26Å; D422-R426 HydrophobicContact CB-CG 4.38Å; D422-R426 WeakPolarHBondContact O-CB 3.4Å; D422-R426 VanDerWaalsContact O-CG 3.24Å; D422-R426 WeakPolarHBondContact O-CG 3.22Å; D422-R426 PolarHBondContact O-N 3.01Å; P423-R426 PolarHBondContact O-N 2.72Å; R426-R428 PolarHBondContact O-N 3.02Å; R426-R428 VanDerWaalsContact O-N 3.13Å; R426-H429 PolarHBondContact O-N 2.74Å; R426-L430 PolarHBondContact O-N 2.66Å
427	Q	91.9	Very high	94.2	Very high	82 Å²	82	47.8 Å²	47.8	38%	0.383	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-60.3	-30.1	-174.5	-168.8	175.3	12.5	0	0	112.8	V419 P423 H429 L430	V419-Q427 HydrophobicContact CG1-CB 4.41Å; P423-Q427 WeakPolarHBondContact O-CB 3.49Å; P423-Q427 PolarHBondContact O-N 3.37Å; Q427-H429 PolarHBondContact O-N 3.3Å; Q427-L430 WeakPolarHBondContact O-CB 3.3Å; Q427-L430 PolarHBondContact O-N 3.21Å
428	R	92.9	Very high	94.3	Very high	174 Å²	174	45.7 Å²	45.7	66%	0.657	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-63.1	-24.2	174.4	82.7	-169.3	75.4	-172.9	-5.7	114.1	A424 T425 R426	A424-R428 PolarHBondContact O-NH2 3.39Å; T425-R428 WeakPolarHBondContact O-CG 3.45Å; T425-R428 PolarHBondContact O-NE 2.84Å; R426-R428 PolarHBondContact O-N 3.02Å; R426-R428 VanDerWaalsContact O-N 3.13Å
429	H	94.6	Very high	94.2	Very high	65 Å²	65	45.7 Å²	45.7	30%	0.301	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-98.5	-9.2	-178.8	-61	-76.2	0	0	0	112.5	V391 R426 Q427 S432 L433	V391-H429 HydrophobicContact CG1-CB 3.89Å; R426-H429 PolarHBondContact O-N 2.74Å; Q427-H429 PolarHBondContact O-N 3.3Å; H429-S432 PolarHBondContact O-N 3.4Å; H429-S432 PolarHBondContact O-OG 2.91Å; H429-L433 HydrophobicContact CB-CD1 4.12Å; H429-L433 VanDerWaalsContact O-CG 3.3Å; H429-L433 WeakPolarHBondContact O-CG 3.26Å; H429-L433 PolarHBondContact O-N 3.49Å
430	L	94.8	Very high	94.1	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-56.1	-41.7	179.2	179.1	54.3	0	0	0	112.8	L415 L416 V419 R426 Q427 S432 L433 L434 L455 L456	L415-L430 HydrophobicContact CD1-CD1 4.34Å; L415-L430 HydrophobicContact CD2-CD1 3.93Å; L415-L430 HydrophobicContact CG-CD1 3.98Å; L416-L430 HydrophobicContact CD2-CD1 4.2Å; L416-L430 HydrophobicContact CD2-CD2 4.23Å; V419-L430 HydrophobicContact CG1-CD2 4.46Å; V419-L430 HydrophobicContact CG2-CB 4.38Å; V419-L430 HydrophobicContact CG2-CD1 4.17Å; R426-L430 PolarHBondContact O-N 2.66Å; Q427-L430 WeakPolarHBondContact O-CB 3.3Å; Q427-L430 PolarHBondContact O-N 3.21Å; L430-S432 PolarHBondContact O-N 2.72Å; L430-L433 PolarHBondContact O-N 3.35Å; L430-L434 WeakPolarHBondContact O-CB 3.21Å; L430-L434 PolarHBondContact O-N 3.35Å; L430-L455 HydrophobicContact CD2-CB 3.99Å; L430-L456 HydrophobicContact CD1-CD2 4.23Å; L430-L456 HydrophobicContact CD2-CD2 3.69Å; L430-L456 HydrophobicContact CD2-CG 4.49Å; L430-L456 HydrophobicContact CG-CD2 3.94Å
431	P	95.1	Very high	94.1	Very high	27 Å²	27	45.4 Å²	45.4	18%	0.175	25%	0.245	C	C	.	.	H	α-helix	trans	-65.3	-35.7	179.2	-22.3	33.7	0	0	0	114.7	A435 E461	P431-A435 PolarHBondContact O-N 2.9Å; P431-E461 HydrophobicContact CB-CB 3.72Å; P431-E461 HydrophobicContact CB-CG 4.5Å; P431-E461 HydrophobicContact CG-CB 4.33Å
432	S	95.7	Very high	94.1	Very high	55 Å²	55	41.1 Å²	41.1	39%	0.385	23%	0.225	S	C	.	.	H	α-helix	trans	-75.1	-40.4	177	48.4	0	0	0	0	111.7	H429 L430 A435 H436	H429-S432 PolarHBondContact O-N 3.4Å; H429-S432 PolarHBondContact O-OG 2.91Å; L430-S432 PolarHBondContact O-N 2.72Å; S432-A435 WeakPolarHBondContact O-CB 3.38Å; S432-A435 PolarHBondContact O-N 3.09Å; S432-H436 PolarHBondContact O-CD2 2.75Å
433	L	96.4	Very high	94.1	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-66.4	-39.8	176.2	-65.7	169.1	0	0	0	111.7	V391 M394 E395 L398 L415 W418 H429 L430 A435 H436	V391-L433 HydrophobicContact CG1-CD1 4.39Å; V391-L433 HydrophobicContact CG1-CD2 4.49Å; M394-L433 HydrophobicContact CB-CD2 4.36Å; M394-L433 HydrophobicContact CG-CD1 4.27Å; M394-L433 HydrophobicContact CG-CD2 4.18Å; E395-L433 HydrophobicContact CB-CD2 3.78Å; L398-L433 HydrophobicContact CD1-CB 3.87Å; L398-L433 HydrophobicContact CD1-CD2 4.09Å; L415-L433 HydrophobicContact CD1-CB 3.87Å; L415-L433 HydrophobicContact CD1-CD1 3.86Å; L415-L433 HydrophobicContact CD1-CG 4.49Å; L415-L433 HydrophobicContact CD2-CB 4.03Å; W418-L433 HydrophobicContact CE3-CD1 4.34Å; W418-L433 HydrophobicContact CH2-CD1 3.99Å; W418-L433 HydrophobicContact CZ3-CD1 3.48Å; W418-L433 VanDerWaalsContact CZ3-CD1 3.48Å; H429-L433 HydrophobicContact CB-CD1 4.12Å; H429-L433 VanDerWaalsContact O-CG 3.3Å; H429-L433 WeakPolarHBondContact O-CG 3.26Å; H429-L433 PolarHBondContact O-N 3.49Å; L430-L433 PolarHBondContact O-N 3.35Å; L433-A435 PolarHBondContact O-N 2.92Å; L433-H436 PolarHBondContact O-N 3.28Å
434	L	95.7	Very high	94.2	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-65.5	-25.8	176.4	-166.2	72.9	0	0	0	112.6	L415 L430 H436 V437 L439 L456 C462 L465	L415-L434 HydrophobicContact CD2-CD1 4.34Å; L430-L434 WeakPolarHBondContact O-CB 3.21Å; L430-L434 PolarHBondContact O-N 3.35Å; L434-H436 PolarHBondContact O-N 2.97Å; L434-V437 WeakPolarHBondContact O-CB 3.32Å; L434-V437 PolarHBondContact O-N 3.41Å; L434-V437 VanDerWaalsContact O-N 3.08Å; L434-L439 HydrophobicContact CD1-CD2 4.01Å; L434-L439 HydrophobicContact CD2-CD1 4.24Å; L434-L439 HydrophobicContact CG-CD1 4.13Å; L434-L439 HydrophobicContact CG-CD2 4.38Å; L434-L456 HydrophobicContact CD2-CD2 3.88Å; L434-C462 HydrophobicContact CD2-CB 4.17Å; L434-L465 HydrophobicContact CB-CD1 4.23Å; L434-L465 HydrophobicContact CD2-CB 4.45Å; L434-L465 HydrophobicContact CD2-CD1 4.19Å; L434-L465 HydrophobicContact CG-CD1 4.36Å
435	A	95.4	Very high	94.4	Very high	37 Å²	37	48.2 Å²	48.2	31%	0.306	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-14.5	176.3	0	0	0	0	0	113.9	P431 S432 L433 L465 R486	P431-A435 PolarHBondContact O-N 2.9Å; S432-A435 WeakPolarHBondContact O-CB 3.38Å; S432-A435 PolarHBondContact O-N 3.09Å; L433-A435 PolarHBondContact O-N 2.92Å; A435-L465 HydrophobicContact CB-CD1 4.15Å; A435-L465 HydrophobicContact CB-CD2 4.39Å; A435-R486 WeakPolarHBondContact O-CD 3.45Å; A435-R486 PolarHBondContact O-NE 3.25Å
436	H	95.7	Very high	94.5	Very high	56 Å²	56	47 Å²	47	26%	0.259	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-4.3	172.1	-59.7	-57	0	0	0	113.5	E395 L398 S432 L433 L434 R490	E395-H436 IonicContact OE1-CD2 2.71Å; E395-H436 IonicContact OE1-CE1 3.87Å; E395-H436 IonicContact OE1-NE2 2.85Å; E395-H436 PolarHBondContact OE1-NE2 3.31Å; L398-H436 HydrophobicContact CB-CB 4.11Å; S432-H436 PolarHBondContact O-CD2 2.75Å; L433-H436 PolarHBondContact O-N 3.28Å; L434-H436 PolarHBondContact O-N 2.97Å; H436-R490 PolarHBondContact O-NH2 3.18Å
437	V	95.7	Very high	94.5	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.23	C	C	.	.	S	Bend	trans	-95.5	137.3	-178.9	-171.6	0	0	0	0	110.2	L398 E408 V411 V412 L415 L434 L439 R486	L398-V437 HydrophobicContact CD2-CG2 4.33Å; E408-V437 HydrophobicContact CG-CG1 3.69Å; E408-V437 WeakPolarHBondContact OE1-CA 3.37Å; E408-V437 WeakPolarHBondContact OE1-CG1 3.47Å; V411-V437 HydrophobicContact CG1-CG1 4.39Å; V411-V437 HydrophobicContact CG1-CG2 4.43Å; V412-V437 HydrophobicContact CG2-CG1 3.62Å; L415-V437 HydrophobicContact CD2-CG2 4.19Å; L434-V437 WeakPolarHBondContact O-CB 3.32Å; L434-V437 PolarHBondContact O-N 3.41Å; L434-V437 VanDerWaalsContact O-N 3.08Å; V437-L439 HydrophobicContact CB-CD2 4.21Å; V437-L439 HydrophobicContact CG1-CD2 3.99Å; V437-L439 PolarHBondContact O-N 3.28Å; V437-R486 WeakPolarHBondContact O-CD 3.44Å; V437-R486 WeakPolarHBondContact O-CG 3.4Å
438	R	95	Very high	94.6	Very high	12 Å²	12	44.5 Å²	44.5	5%	0.045	23%	0.231	C	C	.	.			trans	-81.2	58.5	-172.9	-65	139.3	156.5	96.9	-0.8	112.5	D401 E408 P440 L441 R486 R488 R490	D401-R438 IonicContact OD1-CZ 3.36Å; D401-R438 IonicContact OD1-NH1 2.86Å; D401-R438 IonicContact OD1-NH2 3.29Å; D401-R438 PolarHBondContact OD1-NH2 2.81Å; E408-R438 HydrophobicContact CG-CB 3.9Å; E408-R438 PolarHBondContact OE1-N 3.46Å; E408-R438 WeakPolarHBondContact OE2-CD 3.45Å; R438-P440 VanDerWaalsContact C-N 3.28Å; R438-P440 VanDerWaalsContact O-N 3.13Å; R438-L441 HydrophobicContact CB-CB 4.36Å; R438-L441 HydrophobicContact CB-CD1 4Å; R438-L441 HydrophobicContact CB-CG 4.27Å; R438-L441 HydrophobicContact CG-CD1 4.45Å; R438-L441 WeakPolarHBondContact O-CB 3.37Å; R438-L441 PolarHBondContact O-N 2.87Å; R438-R486 WeakPolarHBondContact CB-O 3.31Å; R438-R488 PolarHBondContact NE-O 3.07Å; R438-R488 PolarHBondContact NH2-O 3.4Å; R438-R490 VanDerWaalsContact NH1-CZ 3.29Å
439	L	95.1	Very high	94.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-49.7	-36.7	-178.9	-50.6	-178.3	0	0	0	114.9	V412 L434 V437 L441 L442 L447 L465 L466	V412-L439 HydrophobicContact CG2-CD2 4.22Å; L434-L439 HydrophobicContact CD1-CD2 4.01Å; L434-L439 HydrophobicContact CD2-CD1 4.24Å; L434-L439 HydrophobicContact CG-CD1 4.13Å; L434-L439 HydrophobicContact CG-CD2 4.38Å; V437-L439 HydrophobicContact CB-CD2 4.21Å; V437-L439 HydrophobicContact CG1-CD2 3.99Å; V437-L439 PolarHBondContact O-N 3.28Å; L439-L441 PolarHBondContact O-N 3.02Å; L439-L442 HydrophobicContact CB-CD1 4.19Å; L439-L442 HydrophobicContact CD2-CD1 3.62Å; L439-L442 PolarHBondContact O-N 2.67Å; L439-L447 HydrophobicContact CB-CD2 4.37Å; L439-L465 HydrophobicContact CD1-CB 3.7Å; L439-L465 WeakPolarHBondContact CD1-O 3.41Å; L439-L466 HydrophobicContact CD1-CD2 4.29Å
440	P	94.3	Very high	94.5	Very high	3 Å²	3	36.9 Å²	36.9	2%	0.019	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-64.3	-4.4	174	-23.6	36	0	0	0	116.3	R438 Y472 R486 T487	R438-P440 VanDerWaalsContact C-N 3.28Å; R438-P440 VanDerWaalsContact O-N 3.13Å; P440-Y472 HydrophobicContact CB-CD1 3.73Å; P440-Y472 HydrophobicContact CB-CD2 4.36Å; P440-Y472 HydrophobicContact CB-CE1 4.26Å; P440-Y472 HydrophobicContact CB-CG 3.78Å; P440-Y472 WeakPolarHBondContact O-CD1 3.45Å; P440-Y472 WeakPolarHBondContact O-CE1 3.42Å; P440-R486 HydrophobicContact CG-CB 4.45Å; P440-T487 HydrophobicContact CB-CG2 3.99Å; P440-T487 HydrophobicContact CG-CG2 4.18Å
441	L	92.5	Very high	94.3	Very high	63 Å²	63	40.8 Å²	40.8	33%	0.33	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-113.2	0.3	179.8	-56.2	-177.7	0	0	0	113.3	R438 L439 P489	R438-L441 HydrophobicContact CB-CB 4.36Å; R438-L441 HydrophobicContact CB-CD1 4Å; R438-L441 HydrophobicContact CB-CG 4.27Å; R438-L441 HydrophobicContact CG-CD1 4.45Å; R438-L441 WeakPolarHBondContact O-CB 3.37Å; R438-L441 PolarHBondContact O-N 2.87Å; L439-L441 PolarHBondContact O-N 3.02Å; L441-P489 HydrophobicContact CD1-CB 3.96Å
442	L	94.4	Very high	94.1	Very high	5 Å²	5	42.8 Å²	42.8	3%	0.026	24%	0.239	C	C	.	.	S	Bend	trans	-71.6	168.2	170.9	-63.1	170.6	0	0	0	110.9	E408 E409 V412 L439 F446 L447 L450 H473	E408-L442 VanDerWaalsContact C-CD2 3.49Å; E408-L442 HydrophobicContact CB-CD2 3.74Å; E408-L442 HydrophobicContact CG-CD2 4.14Å; E409-L442 HydrophobicContact CB-CD2 4.27Å; E409-L442 HydrophobicContact CG-CD2 3.59Å; V412-L442 HydrophobicContact CG2-CD1 4.07Å; V412-L442 HydrophobicContact CG2-CD2 4.08Å; L439-L442 HydrophobicContact CB-CD1 4.19Å; L439-L442 HydrophobicContact CD2-CD1 3.62Å; L439-L442 PolarHBondContact O-N 2.67Å; L442-F446 HydrophobicContact CD1-CD1 4.19Å; L442-F446 HydrophobicContact CD1-CE1 4.49Å; L442-F446 HydrophobicContact CD2-CD1 4.03Å; L442-F446 HydrophobicContact CD2-CE1 4.15Å; L442-L447 HydrophobicContact CB-CD1 4.43Å; L442-L447 HydrophobicContact CB-CD2 4.34Å; L442-L447 HydrophobicContact CB-CG 4Å; L442-L447 HydrophobicContact CD1-CD2 3.77Å; L442-L447 HydrophobicContact CD1-CG 4.28Å; L442-L450 HydrophobicContact CD1-CD1 3.88Å; L442-H473 PolarHBondContact O-CE1 3.43Å; L442-H473 PolarHBondContact O-NE2 2.94Å
443	Q	93.3	Very high	93.9	Very high	112 Å²	112	42.1 Å²	42.1	52%	0.523	23%	0.231	S	C	.	.			trans	-76.8	145.7	169.5	-69.7	179.6	91.4	0	0	112.1	E409 Q445 F446 L447	E409-Q443 WeakPolarHBondContact OE1-CB 3.44Å; E409-Q443 WeakPolarHBondContact OE1-CG 3.34Å; E409-Q443 PolarHBondContact OE1-N 3.38Å; E409-Q443 PolarHBondContact OE1-NE2 3.48Å; Q443-Q445 PolarHBondContact O-N 2.91Å; Q443-Q445 VanDerWaalsContact O-N 3.17Å; Q443-F446 PolarHBondContact O-N 3.34Å; Q443-L447 PolarHBondContact O-N 2.96Å
444	P	93.3	Very high	93.6	Very high	79 Å²	79	46.1 Å²	46.1	51%	0.513	26%	0.257	S	S	.	.	H	α-helix	trans	-58.7	-27.3	178.6	-26.8	35	0	0	0	115.1	A448 H473	P444-A448 PolarHBondContact O-N 2.95Å; P444-H473 HydrophobicContact CG-CB 4.33Å
445	Q	93.6	Very high	93.4	Very high	152 Å²	152	47.6 Å²	47.6	71%	0.71	27%	0.265	S	S	*	.	H	α-helix	trans	-69.7	-55.2	175.8	-68	175.9	-9.1	0	0	110.2	Q443 L447 A448 D449	Q443-Q445 PolarHBondContact O-N 2.91Å; Q443-Q445 VanDerWaalsContact O-N 3.17Å; Q445-L447 VanDerWaalsContact C-N 3.25Å; Q445-L447 PolarHBondContact O-N 3.25Å; Q445-A448 WeakPolarHBondContact O-CA 3.42Å; Q445-A448 WeakPolarHBondContact O-CB 3.2Å; Q445-A448 PolarHBondContact O-N 2.93Å; Q445-D449 PolarHBondContact O-N 3.21Å
446	F	95.3	Very high	93.2	Very high	42 Å²	42	45.9 Å²	45.9	18%	0.184	25%	0.25	C	S	.	.	H	α-helix	trans	-56.9	-36.4	177	-167.7	-100	0	0	0	112.7	E409 V412 L442 Q443 A448 D449 L450	E409-F446 HydrophobicContact CB-CD1 4.15Å; E409-F446 HydrophobicContact CB-CD2 4.37Å; E409-F446 HydrophobicContact CB-CE1 3.88Å; E409-F446 HydrophobicContact CB-CE2 4.13Å; E409-F446 HydrophobicContact CB-CG 4.37Å; E409-F446 HydrophobicContact CB-CZ 3.87Å; E409-F446 HydrophobicContact CG-CB 4.34Å; E409-F446 HydrophobicContact CG-CD1 3.7Å; E409-F446 HydrophobicContact CG-CD2 4.27Å; E409-F446 HydrophobicContact CG-CE1 3.95Å; E409-F446 HydrophobicContact CG-CE2 4.5Å; E409-F446 HydrophobicContact CG-CG 3.86Å; E409-F446 HydrophobicContact CG-CZ 4.35Å; V412-F446 HydrophobicContact CB-CE1 3.99Å; V412-F446 HydrophobicContact CB-CZ 4.34Å; V412-F446 HydrophobicContact CG1-CE1 4.15Å; V412-F446 HydrophobicContact CG1-CZ 4.44Å; V412-F446 HydrophobicContact CG2-CE1 4.23Å; L442-F446 HydrophobicContact CD1-CD1 4.19Å; L442-F446 HydrophobicContact CD1-CE1 4.49Å; L442-F446 HydrophobicContact CD2-CD1 4.03Å; L442-F446 HydrophobicContact CD2-CE1 4.15Å; Q443-F446 PolarHBondContact O-N 3.34Å; F446-A448 VanDerWaalsContact C-N 3.34Å; F446-A448 PolarHBondContact O-N 3.31Å; F446-D449 PolarHBondContact O-N 3.48Å; F446-L450 HydrophobicContact CD1-CD1 3.75Å; F446-L450 HydrophobicContact CD1-CG 4.02Å; F446-L450 HydrophobicContact CE1-CD1 3.66Å; F446-L450 HydrophobicContact CE1-CD2 4.07Å; F446-L450 HydrophobicContact CE1-CG 3.92Å; F446-L450 HydrophobicContact CZ-CD2 4.3Å; F446-L450 VanDerWaalsContact O-CG 3.27Å; F446-L450 WeakPolarHBondContact O-CG 3.25Å; F446-L450 PolarHBondContact O-N 2.68Å
447	L	94.7	Very high	92.9	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-60	-38.9	172.9	-80.6	169.1	0	0	0	113.5	L439 L442 Q443 Q445 E451 L466 M470 H473	L439-L447 HydrophobicContact CB-CD2 4.37Å; L442-L447 HydrophobicContact CB-CD1 4.43Å; L442-L447 HydrophobicContact CB-CD2 4.34Å; L442-L447 HydrophobicContact CB-CG 4Å; L442-L447 HydrophobicContact CD1-CD2 3.77Å; L442-L447 HydrophobicContact CD1-CG 4.28Å; Q443-L447 PolarHBondContact O-N 2.96Å; Q445-L447 VanDerWaalsContact C-N 3.25Å; Q445-L447 PolarHBondContact O-N 3.25Å; L447-E451 PolarHBondContact O-N 2.87Å; L447-E451 VanDerWaalsContact O-N 3.14Å; L447-L466 HydrophobicContact CD2-CD2 3.93Å; L447-M470 HydrophobicContact CB-CG 4.31Å; L447-M470 HydrophobicContact CD1-CG 4.49Å; L447-H473 VanDerWaalsContact CD1-CD2 3.48Å; L447-H473 WeakPolarHBondContact CD1-CD2 2.94Å; L447-H473 WeakPolarHBondContact CD1-NE2 3.45Å
448	A	92.1	Very high	92.6	Very high	50 Å²	50	54.5 Å²	54.5	41%	0.413	29%	0.289	S	S	.	.	H	α-helix	trans	-73.7	-35.4	176.1	0	0	0	0	0	112	P444 Q445 F446 L450 E451 S452	P444-A448 PolarHBondContact O-N 2.95Å; Q445-A448 WeakPolarHBondContact O-CA 3.42Å; Q445-A448 WeakPolarHBondContact O-CB 3.2Å; Q445-A448 PolarHBondContact O-N 2.93Å; F446-A448 VanDerWaalsContact C-N 3.34Å; F446-A448 PolarHBondContact O-N 3.31Å; A448-L450 VanDerWaalsContact C-N 3.32Å; A448-L450 PolarHBondContact O-N 3.05Å; A448-E451 WeakPolarHBondContact O-CB 3.45Å; A448-E451 PolarHBondContact O-N 2.72Å; A448-S452 PolarHBondContact O-N 2.94Å
449	D	93.3	Very high	92.5	Very high	73 Å²	73	55 Å²	55	39%	0.39	30%	0.295	S	S	.	.	H	α-helix	trans	-64.2	-38.3	173.5	-61.8	-40.8	0	0	0	111.2	F44 Q445 F446 S452 N453	F44-D449 HydrophobicContact CZ-CB 4.32Å; Q445-D449 PolarHBondContact O-N 3.21Å; F446-D449 PolarHBondContact O-N 3.48Å; D449-S452 PolarHBondContact O-N 3.3Å; D449-S452 PolarHBondContact O-OG 3.47Å; D449-N453 PolarHBondContact O-N 3.14Å
450	L	93.6	Very high	92.4	Very high	6 Å²	6	60.4 Å²	60.4	3%	0.031	33%	0.327	C	S	.	.	H	α-helix	trans	-66	-36	173.1	-69.7	176.6	0	0	0	113.5	V412 L416 L442 F446 A448 S452 N453 L456 L466	V412-L450 HydrophobicContact CG1-CD1 3.96Å; V412-L450 HydrophobicContact CG1-CD2 3.59Å; V412-L450 HydrophobicContact CG1-CG 4.43Å; V412-L450 HydrophobicContact CG2-CD1 4.43Å; L416-L450 HydrophobicContact CD1-CD2 3.88Å; L442-L450 HydrophobicContact CD1-CD1 3.88Å; F446-L450 HydrophobicContact CD1-CD1 3.75Å; F446-L450 HydrophobicContact CD1-CG 4.02Å; F446-L450 HydrophobicContact CE1-CD1 3.66Å; F446-L450 HydrophobicContact CE1-CD2 4.07Å; F446-L450 HydrophobicContact CE1-CG 3.92Å; F446-L450 HydrophobicContact CZ-CD2 4.3Å; F446-L450 VanDerWaalsContact O-CG 3.27Å; F446-L450 WeakPolarHBondContact O-CG 3.25Å; F446-L450 PolarHBondContact O-N 2.68Å; A448-L450 VanDerWaalsContact C-N 3.32Å; A448-L450 PolarHBondContact O-N 3.05Å; L450-S452 PolarHBondContact O-N 2.9Å; L450-N453 VanDerWaalsContact O-CB 3.29Å; L450-N453 WeakPolarHBondContact O-CB 3.38Å; L450-N453 PolarHBondContact O-N 3.19Å; L450-N453 VanDerWaalsContact O-N 3.13Å; L450-L456 HydrophobicContact CB-CD1 4.02Å; L450-L456 HydrophobicContact CD2-CD1 3.87Å; L450-L456 HydrophobicContact CG-CD1 4.45Å; L450-L466 HydrophobicContact CB-CD1 4.29Å; L450-L466 HydrophobicContact CB-CD2 3.76Å; L450-L466 HydrophobicContact CD1-CD2 3.94Å
451	E	91.1	Very high	92.4	Very high	83 Å²	83	65 Å²	65	39%	0.388	35%	0.348	S	S	.	.	H	α-helix	trans	-59	-37.1	173.5	-178.1	173.6	-156	0	0	111.2	L447 A448 N453 L466 M470	L447-E451 PolarHBondContact O-N 2.87Å; L447-E451 VanDerWaalsContact O-N 3.14Å; A448-E451 WeakPolarHBondContact O-CB 3.45Å; A448-E451 PolarHBondContact O-N 2.72Å; E451-N453 VanDerWaalsContact C-N 3.33Å; E451-N453 PolarHBondContact O-N 2.72Å; E451-L466 HydrophobicContact CB-CD1 4.45Å; E451-M470 VanDerWaalsContact OE2-CE 3.26Å; E451-M470 WeakPolarHBondContact OE2-CE 3.49Å
452	S	90	Very high	92.6	Very high	69 Å²	69	62 Å²	62	48%	0.483	33%	0.333	S	S	.	.	H	α-helix	trans	-74.6	-16.8	177	85	0	0	0	0	114.9	A448 D449 L450	A448-S452 PolarHBondContact O-N 2.94Å; D449-S452 PolarHBondContact O-N 3.3Å; D449-S452 PolarHBondContact O-OG 3.47Å; L450-S452 PolarHBondContact O-N 2.9Å
453	N	91.8	Very high	92.6	Very high	42 Å²	42	63.2 Å²	63.2	23%	0.225	34%	0.338	C	S	.	.			trans	-68.5	126.9	-167.5	-172.1	-59.9	0	0	0	112.2	D449 L450 E451 L455 L456 R457	D449-N453 PolarHBondContact O-N 3.14Å; L450-N453 VanDerWaalsContact O-CB 3.29Å; L450-N453 WeakPolarHBondContact O-CB 3.38Å; L450-N453 PolarHBondContact O-N 3.19Å; L450-N453 VanDerWaalsContact O-N 3.13Å; E451-N453 VanDerWaalsContact C-N 3.33Å; E451-N453 PolarHBondContact O-N 2.72Å; N453-L455 PolarHBondContact O-N 3.34Å; N453-L455 WeakPolarHBondContact OD1-CB 3.4Å; N453-L455 PolarHBondContact OD1-N 3.17Å; N453-L456 HydrophobicContact CB-CB 4.41Å; N453-L456 HydrophobicContact CB-CD1 4.29Å; N453-L456 HydrophobicContact CB-CG 4.49Å; N453-L456 PolarHBondContact O-N 2.91Å; N453-R457 WeakPolarHBondContact O-CB 3.47Å; N453-R457 PolarHBondContact O-N 2.86Å
454	P	90.4	Very high	92.7	Very high	83 Å²	83	64.2 Å²	64.2	54%	0.539	34%	0.337	S	S	.	.	H	α-helix	trans	-56	-26.9	-177.9	-27.9	35.5	0	0	0	115.9
455	L	90.3	Very high	92.8	Very high	33 Å²	33	60.6 Å²	60.6	17%	0.173	31%	0.313	C	S	.	.	H	α-helix	trans	-76	-25	178	-62.3	174.5	0	0	0	112.8	L416 L430 N453	L416-L455 HydrophobicContact CD2-CB 4.4Å; L416-L455 HydrophobicContact CD2-CD1 4.1Å; L430-L455 HydrophobicContact CD2-CB 3.99Å; N453-L455 PolarHBondContact O-N 3.34Å; N453-L455 WeakPolarHBondContact OD1-CB 3.4Å; N453-L455 PolarHBondContact OD1-N 3.17Å
456	L	91.9	Very high	92.9	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-107.7	-32.5	-172.7	-64.6	175.1	0	0	0	113.3	L416 L430 L434 L450 N453 D458 S459 C462 Q463	L416-L456 HydrophobicContact CD2-CD1 4.38Å; L416-L456 HydrophobicContact CD2-CD2 4.42Å; L416-L456 HydrophobicContact CD2-CG 4.31Å; L430-L456 HydrophobicContact CD1-CD2 4.23Å; L430-L456 HydrophobicContact CD2-CD2 3.69Å; L430-L456 HydrophobicContact CD2-CG 4.49Å; L430-L456 HydrophobicContact CG-CD2 3.94Å; L434-L456 HydrophobicContact CD2-CD2 3.88Å; L450-L456 HydrophobicContact CB-CD1 4.02Å; L450-L456 HydrophobicContact CD2-CD1 3.87Å; L450-L456 HydrophobicContact CG-CD1 4.45Å; N453-L456 HydrophobicContact CB-CB 4.41Å; N453-L456 HydrophobicContact CB-CD1 4.29Å; N453-L456 HydrophobicContact CB-CG 4.49Å; N453-L456 PolarHBondContact O-N 2.91Å; L456-D458 VanDerWaalsContact C-N 3.27Å; L456-D458 PolarHBondContact O-N 3.44Å; L456-S459 PolarHBondContact O-N 2.66Å; L456-C462 HydrophobicContact CB-CB 4.36Å; L456-C462 HydrophobicContact CD2-CB 3.95Å; L456-Q463 PolarHBondContact O-NE2 2.83Å
457	R	89.9	Confident	92.7	Very high	126 Å²	126	56.5 Å²	56.5	48%	0.475	30%	0.296	S	S	.	.	H	α-helix	trans	-54.7	-40.7	-176.3	-172.1	-169.1	64	-133.5	-13.3	113.1	N453 Q463	N453-R457 WeakPolarHBondContact O-CB 3.47Å; N453-R457 PolarHBondContact O-N 2.86Å; R457-Q463 VanDerWaalsContact CA-NE2 3.32Å
458	D	88.2	Confident	92.7	Very high	111 Å²	111	59.3 Å²	59.3	59%	0.594	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-0.3	-167.8	-57.6	-15.3	0	0	0	113.4	L456	L456-D458 VanDerWaalsContact C-N 3.27Å; L456-D458 PolarHBondContact O-N 3.44Å
459	S	92.8	Very high	92.8	Very high	24 Å²	24	57 Å²	57	17%	0.168	29%	0.29	C	S	.	.			trans	-108.2	122	172.6	163.8	0	0	0	0	111.9	L456 E461 C462 Q463	L456-S459 PolarHBondContact O-N 2.66Å; S459-E461 PolarHBondContact O-N 2.93Å; S459-E461 PolarHBondContact OG-N 3.18Å; S459-E461 PolarHBondContact OG-OE2 3.18Å; S459-C462 PolarHBondContact O-N 3.39Å; S459-C462 PolarHBondContact OG-N 3.28Å; S459-Q463 WeakPolarHBondContact O-CG 3.5Å; S459-Q463 PolarHBondContact O-N 3.3Å
460	V	93.8	Very high	92.7	Very high	112 Å²	112	55.6 Å²	55.6	68%	0.679	28%	0.281	S	S	*	.	H	α-helix	trans	-60.9	-34.5	178.4	-177.9	0	0	0	0	111.6	Q463 R464	V460-Q463 PolarHBondContact O-N 3.45Å; V460-R464 WeakPolarHBondContact O-CB 3.35Å; V460-R464 PolarHBondContact O-N 3.11Å
461	E	95.1	Very high	92.7	Very high	101 Å²	101	60.6 Å²	60.6	47%	0.472	30%	0.303	S	S	.	.	H	α-helix	trans	-68.6	-44.4	179.3	-60.9	69.4	-149.2	0	0	111.4	P431 S459 R464 L465	P431-E461 HydrophobicContact CB-CB 3.72Å; P431-E461 HydrophobicContact CB-CG 4.5Å; P431-E461 HydrophobicContact CG-CB 4.33Å; S459-E461 PolarHBondContact O-N 2.93Å; S459-E461 PolarHBondContact OG-N 3.18Å; S459-E461 PolarHBondContact OG-OE2 3.18Å; E461-R464 PolarHBondContact O-N 2.82Å; E461-L465 WeakPolarHBondContact O-CG 3.39Å; E461-L465 PolarHBondContact O-N 2.75Å; E461-L465 VanDerWaalsContact O-N 3.08Å
462	C	95.1	Very high	92.7	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-61.1	-46.8	173	-72	0	0	0	0	111.1	L434 L456 S459 R464 L465 L466	L434-C462 HydrophobicContact CD2-CB 4.17Å; L456-C462 HydrophobicContact CB-CB 4.36Å; L456-C462 HydrophobicContact CD2-CB 3.95Å; S459-C462 PolarHBondContact O-N 3.39Å; S459-C462 PolarHBondContact OG-N 3.28Å; C462-R464 VanDerWaalsContact C-N 3.33Å; C462-R464 PolarHBondContact O-N 3.08Å; C462-L465 WeakPolarHBondContact O-CB 3.45Å; C462-L465 PolarHBondContact O-N 3.11Å; C462-L465 VanDerWaalsContact O-N 3.13Å; C462-L466 PolarHBondContact O-N 3.41Å
463	Q	94.9	Very high	92.8	Very high	29 Å²	29	57 Å²	57	14%	0.136	28%	0.277	C	S	.	.	H	α-helix	trans	-61	-40.3	176.7	-65.8	-52.6	-47.9	0	0	112.4	L456 R457 S459 V460 L465 L466 M467	L456-Q463 PolarHBondContact O-NE2 2.83Å; R457-Q463 VanDerWaalsContact CA-NE2 3.32Å; S459-Q463 WeakPolarHBondContact O-CG 3.5Å; S459-Q463 PolarHBondContact O-N 3.3Å; V460-Q463 PolarHBondContact O-N 3.45Å; Q463-L465 VanDerWaalsContact C-N 3.31Å; Q463-L465 PolarHBondContact O-N 2.65Å; Q463-L466 PolarHBondContact O-N 2.85Å; Q463-M467 WeakPolarHBondContact O-CB 3.46Å; Q463-M467 WeakPolarHBondContact O-CG 3.22Å; Q463-M467 PolarHBondContact O-N 3.16Å
464	R	95.1	Very high	92.8	Very high	134 Å²	134	61.5 Å²	61.5	51%	0.506	30%	0.3	S	S	.	.	H	α-helix	trans	-61.1	-38.2	174.3	-169.9	-166.8	59.9	65.1	1.6	112.4	V460 E461 C462 E468	V460-R464 WeakPolarHBondContact O-CB 3.35Å; V460-R464 PolarHBondContact O-N 3.11Å; E461-R464 PolarHBondContact O-N 2.82Å; C462-R464 VanDerWaalsContact C-N 3.33Å; C462-R464 PolarHBondContact O-N 3.08Å; R464-E468 IonicContact NH1-OE2 2.68Å; R464-E468 PolarHBondContact O-N 3.32Å
465	L	95.3	Very high	92.8	Very high	3 Å²	3	60.1 Å²	60.1	2%	0.016	29%	0.289	C	S	.	.	H	α-helix	trans	-71.3	-39.1	177.4	-69.8	168.6	0	0	0	111.9	L434 A435 L439 E461 C462 Q463 E468 G469	L434-L465 HydrophobicContact CB-CD1 4.23Å; L434-L465 HydrophobicContact CD2-CB 4.45Å; L434-L465 HydrophobicContact CD2-CD1 4.19Å; L434-L465 HydrophobicContact CG-CD1 4.36Å; A435-L465 HydrophobicContact CB-CD1 4.15Å; A435-L465 HydrophobicContact CB-CD2 4.39Å; L439-L465 HydrophobicContact CD1-CB 3.7Å; L439-L465 WeakPolarHBondContact CD1-O 3.41Å; E461-L465 WeakPolarHBondContact O-CG 3.39Å; E461-L465 PolarHBondContact O-N 2.75Å; E461-L465 VanDerWaalsContact O-N 3.08Å; C462-L465 WeakPolarHBondContact O-CB 3.45Å; C462-L465 PolarHBondContact O-N 3.11Å; C462-L465 VanDerWaalsContact O-N 3.13Å; Q463-L465 VanDerWaalsContact C-N 3.31Å; Q463-L465 PolarHBondContact O-N 2.65Å; L465-E468 WeakPolarHBondContact O-CB 3.32Å; L465-E468 PolarHBondContact O-N 2.84Å; L465-G469 PolarHBondContact O-N 3.47Å
466	L	95.3	Very high	92.4	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-64.9	-50.4	174.3	-69.5	170.5	0	0	0	111.6	L439 L447 L450 E451 C462 Q463 E468 G469 M470	L439-L466 HydrophobicContact CD1-CD2 4.29Å; L447-L466 HydrophobicContact CD2-CD2 3.93Å; L450-L466 HydrophobicContact CB-CD1 4.29Å; L450-L466 HydrophobicContact CB-CD2 3.76Å; L450-L466 HydrophobicContact CD1-CD2 3.94Å; E451-L466 HydrophobicContact CB-CD1 4.45Å; C462-L466 PolarHBondContact O-N 3.41Å; Q463-L466 PolarHBondContact O-N 2.85Å; L466-E468 PolarHBondContact O-N 3.04Å; L466-E468 VanDerWaalsContact O-N 3.13Å; L466-G469 WeakPolarHBondContact O-CA 3.29Å; L466-G469 PolarHBondContact O-N 2.78Å; L466-M470 HydrophobicContact CB-SD 4.12Å; L466-M470 PolarHBondContact O-N 2.99Å
467	M	92.9	Very high	91.8	Very high	108 Å²	108	69.3 Å²	69.3	53%	0.532	34%	0.336	S	S	.	.	H	α-helix	trans	-54.8	-32.8	176.7	-78.4	-169.3	-76.3	0	0	113.2	Q463 K471	Q463-M467 WeakPolarHBondContact O-CB 3.46Å; Q463-M467 WeakPolarHBondContact O-CG 3.22Å; Q463-M467 PolarHBondContact O-N 3.16Å; M467-K471 WeakPolarHBondContact O-CB 3.26Å; M467-K471 PolarHBondContact O-N 3.13Å
468	E	93.7	Very high	91.5	Very high	59 Å²	59	70.8 Å²	70.8	28%	0.276	34%	0.341	S	S	.	.	H	α-helix	trans	-65.8	-41.4	173.9	-170.3	-174.4	161.5	0	0	112.1	R464 L465 L466 K471 Y472 R486	R464-E468 IonicContact NH1-OE2 2.68Å; R464-E468 PolarHBondContact O-N 3.32Å; L465-E468 WeakPolarHBondContact O-CB 3.32Å; L465-E468 PolarHBondContact O-N 2.84Å; L466-E468 PolarHBondContact O-N 3.04Å; L466-E468 VanDerWaalsContact O-N 3.13Å; E468-K471 PolarHBondContact O-N 2.87Å; E468-Y472 PolarHBondContact O-N 3.11Å; E468-Y472 VanDerWaalsContact O-N 3.11Å; E468-R486 IonicContact OE1-CZ 3.16Å; E468-R486 IonicContact OE1-NH1 2.75Å; E468-R486 PolarHBondContact OE1-NH1 3.05Å; E468-R486 IonicContact OE1-NH2 3.78Å; E468-R486 PolarHBondContact OE1-NH2 3.35Å; E468-R486 IonicContact OE2-CZ 2.65Å; E468-R486 VanDerWaalsContact OE2-CZ 3.29Å; E468-R486 IonicContact OE2-NH1 3.83Å; E468-R486 PolarHBondContact OE2-NH1 2.71Å; E468-R486 IonicContact OE2-NH2 2.81Å; E468-R486 PolarHBondContact OE2-NH2 2.96Å
469	G	93.6	Very high	91.3	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-60.2	-55.4	171	0	0	0	0	0	111.7	L465 L466 K471 Y472 H473	L465-G469 PolarHBondContact O-N 3.47Å; L466-G469 WeakPolarHBondContact O-CA 3.29Å; L466-G469 PolarHBondContact O-N 2.78Å; G469-K471 VanDerWaalsContact C-N 3.27Å; G469-K471 PolarHBondContact O-N 3.3Å; G469-Y472 WeakPolarHBondContact O-CB 3.36Å; G469-Y472 PolarHBondContact O-N 3.05Å; G469-H473 PolarHBondContact O-CD2 3.19Å; G469-H473 PolarHBondContact O-N 3.38Å
470	M	93.1	Very high	90.7	Very high	44 Å²	44	71.3 Å²	71.3	22%	0.217	34%	0.34	C	S	.	.	H	α-helix	trans	-54.9	-42.2	177.5	-68.3	118.6	91	0	0	112	L447 E451 L466 Y472 H473 L474	L447-M470 HydrophobicContact CB-CG 4.31Å; L447-M470 HydrophobicContact CD1-CG 4.49Å; E451-M470 VanDerWaalsContact OE2-CE 3.26Å; E451-M470 WeakPolarHBondContact OE2-CE 3.49Å; L466-M470 HydrophobicContact CB-SD 4.12Å; L466-M470 PolarHBondContact O-N 2.99Å; M470-Y472 VanDerWaalsContact C-N 3.32Å; M470-Y472 PolarHBondContact O-N 2.91Å; M470-H473 PolarHBondContact O-N 2.83Å; M470-H473 VanDerWaalsContact O-N 3.16Å; M470-L474 WeakPolarHBondContact O-CB 3.37Å; M470-L474 VanDerWaalsContact O-CG 3.3Å; M470-L474 WeakPolarHBondContact O-CG 3.49Å; M470-L474 PolarHBondContact O-N 3.22Å
471	K	92.2	Very high	90.2	Very high	112 Å²	112	73.1 Å²	73.1	49%	0.487	35%	0.345	S	S	.	.	H	α-helix	trans	-60.6	-35.3	175.2	180	-179	176.4	-175.4	0	113.4	M467 E468 G469 L474 L475	M467-K471 WeakPolarHBondContact O-CB 3.26Å; M467-K471 PolarHBondContact O-N 3.13Å; E468-K471 PolarHBondContact O-N 2.87Å; G469-K471 VanDerWaalsContact C-N 3.27Å; G469-K471 PolarHBondContact O-N 3.3Å; K471-L474 PolarHBondContact O-N 2.69Å; K471-L475 HydrophobicContact CG-CD1 3.91Å; K471-L475 PolarHBondContact O-N 3.32Å
472	Y	92.4	Very high	89.8	Confident	31 Å²	31	70.8 Å²	70.8	12%	0.122	34%	0.335	C	S	.	.	H	α-helix	trans	-68.9	-34.2	175.7	-173.8	-99	0	0	0	112.2	P440 E468 G469 M470 R479 L482 T487	P440-Y472 HydrophobicContact CB-CD1 3.73Å; P440-Y472 HydrophobicContact CB-CD2 4.36Å; P440-Y472 HydrophobicContact CB-CE1 4.26Å; P440-Y472 HydrophobicContact CB-CG 3.78Å; P440-Y472 WeakPolarHBondContact O-CD1 3.45Å; P440-Y472 WeakPolarHBondContact O-CE1 3.42Å; E468-Y472 PolarHBondContact O-N 3.11Å; E468-Y472 VanDerWaalsContact O-N 3.11Å; G469-Y472 WeakPolarHBondContact O-CB 3.36Å; G469-Y472 PolarHBondContact O-N 3.05Å; M470-Y472 VanDerWaalsContact C-N 3.32Å; M470-Y472 PolarHBondContact O-N 2.91Å; Y472-R479 HydrophobicContact CD1-CG 4.45Å; Y472-R479 HydrophobicContact CD2-CB 4.41Å; Y472-R479 HydrophobicContact CD2-CG 3.87Å; Y472-R479 HydrophobicContact CE1-CG 4.21Å; Y472-R479 HydrophobicContact CE2-CB 3.74Å; Y472-R479 HydrophobicContact CE2-CG 3.56Å; Y472-R479 HydrophobicContact CG-CG 4.3Å; Y472-R479 PolarHBondContact O-NE 3.07Å; Y472-R479 PolarHBondContact O-NH2 2.77Å; Y472-L482 HydrophobicContact CD2-CB 4.11Å; Y472-L482 HydrophobicContact CD2-CD1 4.43Å; Y472-L482 HydrophobicContact CE2-CB 4.48Å; Y472-T487 HydrophobicContact CD2-CG2 3.9Å; Y472-T487 HydrophobicContact CE2-CG2 3.53Å
473	H	91.4	Very high	89.3	Confident	44 Å²	44	74.1 Å²	74.1	20%	0.204	35%	0.351	C	S	.	.	H	α-helix	trans	-70.1	-46.5	171.5	-64.8	-76.2	0	0	0	111.9	L442 P444 L447 G469 M470 L475 P476 R479	L442-H473 PolarHBondContact O-CE1 3.43Å; L442-H473 PolarHBondContact O-NE2 2.94Å; P444-H473 HydrophobicContact CG-CB 4.33Å; L447-H473 VanDerWaalsContact CD1-CD2 3.48Å; L447-H473 WeakPolarHBondContact CD1-CD2 2.94Å; L447-H473 WeakPolarHBondContact CD1-NE2 3.45Å; G469-H473 PolarHBondContact O-CD2 3.19Å; G469-H473 PolarHBondContact O-N 3.38Å; M470-H473 PolarHBondContact O-N 2.83Å; M470-H473 VanDerWaalsContact O-N 3.16Å; H473-L475 VanDerWaalsContact C-N 3.29Å; H473-L475 PolarHBondContact O-N 3.07Å; H473-P476 WeakPolarHBondContact O-CD 3.46Å; H473-R479 PolarHBondContact O-NH2 3.16Å
474	L	92	Very high	89	Confident	137 Å²	137	74.5 Å²	74.5	72%	0.717	36%	0.357	S	S	*	.	H	α-helix	trans	-66.3	-19.2	-177.1	-70.7	169.6	0	0	0	115.1	M470 K471 P476	M470-L474 WeakPolarHBondContact O-CB 3.37Å; M470-L474 VanDerWaalsContact O-CG 3.3Å; M470-L474 WeakPolarHBondContact O-CG 3.49Å; M470-L474 PolarHBondContact O-N 3.22Å; K471-L474 PolarHBondContact O-N 2.69Å; L474-P476 VanDerWaalsContact C-CD 3.48Å; L474-P476 WeakPolarHBondContact O-CD 3.36Å
475	L	89.5	Confident	88.6	Confident	55 Å²	55	73.6 Å²	73.6	29%	0.288	37%	0.368	S	S	.	.			trans	-124.2	61.9	-176.8	-60	173.2	0	0	0	113.6	K471 H473 Q477 R478 R479	K471-L475 HydrophobicContact CG-CD1 3.91Å; K471-L475 PolarHBondContact O-N 3.32Å; H473-L475 VanDerWaalsContact C-N 3.29Å; H473-L475 PolarHBondContact O-N 3.07Å; L475-Q477 VanDerWaalsContact C-N 3.31Å; L475-Q477 PolarHBondContact O-N 2.97Å; L475-R478 HydrophobicContact CB-CB 4.18Å; L475-R478 PolarHBondContact O-N 3.23Å; L475-R479 PolarHBondContact O-N 3.01Å
476	P	81.6	Confident	88.4	Confident	60 Å²	60	75.4 Å²	75.4	39%	0.39	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-52.4	-43.4	-175.5	-25.6	34.2	0	0	0	114.4	H473 L474 R478 R479	H473-P476 WeakPolarHBondContact O-CD 3.46Å; L474-P476 VanDerWaalsContact C-CD 3.48Å; L474-P476 WeakPolarHBondContact O-CD 3.36Å; P476-R478 PolarHBondContact O-N 2.89Å; P476-R479 WeakPolarHBondContact O-CB 3.4Å; P476-R479 WeakPolarHBondContact O-CG 3.03Å; P476-R479 PolarHBondContact O-N 3.23Å
477	Q	79.6	Confident	88.2	Confident	165 Å²	165	75.8 Å²	75.8	77%	0.771	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-68.4	-18.5	-178	-56.1	80.6	-0	0	0	112.9	L475	L475-Q477 VanDerWaalsContact C-N 3.31Å; L475-Q477 PolarHBondContact O-N 2.97Å
478	R	83.1	Confident	88	Confident	157 Å²	157	74.5 Å²	74.5	59%	0.592	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-100.5	-2.4	178.1	-63.5	-174.6	176.3	-177.6	-0.5	113.4	L475 P476 P480 L481 L482	L475-R478 HydrophobicContact CB-CB 4.18Å; L475-R478 PolarHBondContact O-N 3.23Å; P476-R478 PolarHBondContact O-N 2.89Å; R478-P480 VanDerWaalsContact C-N 3.3Å; R478-L481 WeakPolarHBondContact O-CA 3.45Å; R478-L481 WeakPolarHBondContact O-CB 3.47Å; R478-L481 PolarHBondContact O-N 2.94Å; R478-L482 HydrophobicContact CB-CD1 4.4Å; R478-L482 WeakPolarHBondContact O-CG 3.48Å; R478-L482 PolarHBondContact O-N 2.84Å
479	R	85.6	Confident	87.8	Confident	80 Å²	80	73.5 Å²	73.5	30%	0.302	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-51.7	-37.6	177.6	-68	-179.4	-175.8	157.3	10.6	114.2	Y472 H473 L475 P476 L481 L482 Q483	Y472-R479 HydrophobicContact CD1-CG 4.45Å; Y472-R479 HydrophobicContact CD2-CB 4.41Å; Y472-R479 HydrophobicContact CD2-CG 3.87Å; Y472-R479 HydrophobicContact CE1-CG 4.21Å; Y472-R479 HydrophobicContact CE2-CB 3.74Å; Y472-R479 HydrophobicContact CE2-CG 3.56Å; Y472-R479 HydrophobicContact CG-CG 4.3Å; Y472-R479 PolarHBondContact O-NE 3.07Å; Y472-R479 PolarHBondContact O-NH2 2.77Å; H473-R479 PolarHBondContact O-NH2 3.16Å; L475-R479 PolarHBondContact O-N 3.01Å; P476-R479 WeakPolarHBondContact O-CB 3.4Å; P476-R479 WeakPolarHBondContact O-CG 3.03Å; P476-R479 PolarHBondContact O-N 3.23Å; R479-L481 PolarHBondContact O-N 3.39Å; R479-L482 PolarHBondContact O-N 3.43Å; R479-L482 VanDerWaalsContact O-N 3.08Å; R479-Q483 PolarHBondContact O-NE2 3.26Å
480	P	80.6	Confident	87.7	Confident	66 Å²	66	73.5 Å²	73.5	43%	0.429	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-60.8	-23.6	174.1	-25.6	36.3	0	0	0	114.6	R478	R478-P480 VanDerWaalsContact C-N 3.3Å
481	L	82.9	Confident	87.7	Confident	150 Å²	150	74.1 Å²	74.1	79%	0.785	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-96	-3.1	177.8	-55.5	175.8	0	0	0	113.3	R478 R479	R478-L481 WeakPolarHBondContact O-CA 3.45Å; R478-L481 WeakPolarHBondContact O-CB 3.47Å; R478-L481 PolarHBondContact O-N 2.94Å; R479-L481 PolarHBondContact O-N 3.39Å
482	L	85.7	Confident	87.7	Confident	53 Å²	53	70.1 Å²	70.1	28%	0.277	35%	0.354	S	S	.	.	S	Bend	trans	-111.1	22.6	-177.5	-64.2	174.7	0	0	0	112	Y472 R478 R479 T487	Y472-L482 HydrophobicContact CD2-CB 4.11Å; Y472-L482 HydrophobicContact CD2-CD1 4.43Å; Y472-L482 HydrophobicContact CE2-CB 4.48Å; R478-L482 HydrophobicContact CB-CD1 4.4Å; R478-L482 WeakPolarHBondContact O-CG 3.48Å; R478-L482 PolarHBondContact O-N 2.84Å; R479-L482 PolarHBondContact O-N 3.43Å; R479-L482 VanDerWaalsContact O-N 3.08Å; L482-T487 WeakPolarHBondContact O-CG2 3.28Å
483	Q	84.8	Confident	87.6	Confident	70 Å²	70	69.2 Å²	69.2	33%	0.327	35%	0.352	S	S	.	.			trans	-73.3	137.7	-175.5	-66.9	-57.6	-53.9	0	0	112.7	R479 T487	R479-Q483 PolarHBondContact O-NE2 3.26Å; Q483-T487 WeakPolarHBondContact CA-OG1 3.38Å; Q483-T487 PolarHBondContact OE1-OG1 3.45Å
484	S	88.2	Confident	87.5	Confident	37 Å²	37	68.2 Å²	68.2	26%	0.259	35%	0.349	S	S	.	.			trans	-156.1	171.6	175.9	71.7	0	0	0	0	109.8	R486 T487	S484-R486 PolarHBondContact O-N 3.08Å; S484-R486 PolarHBondContact OG-N 2.92Å; S484-T487 PolarHBondContact N-OG1 3.45Å; S484-T487 PolarHBondContact O-N 3.38Å; S484-T487 PolarHBondContact O-OG1 2.65Å
485	P	87.8	Confident	87.4	Confident	115 Å²	115	62.4 Å²	62.4	75%	0.747	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-54	-27.2	171.9	-28.1	36.9	0	0	0	114.1	R488	P485-R488 PolarHBondContact O-N 2.87Å
486	R	91.3	Very high	87.5	Confident	40 Å²	40	60.1 Å²	60.1	15%	0.151	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-80.3	-11.8	176.4	-81.2	-175.7	-74.4	126.6	16.2	114.9	A435 V437 R438 P440 E468 S484	A435-R486 WeakPolarHBondContact O-CD 3.45Å; A435-R486 PolarHBondContact O-NE 3.25Å; V437-R486 WeakPolarHBondContact O-CD 3.44Å; V437-R486 WeakPolarHBondContact O-CG 3.4Å; R438-R486 WeakPolarHBondContact CB-O 3.31Å; P440-R486 HydrophobicContact CG-CB 4.45Å; E468-R486 IonicContact OE1-CZ 3.16Å; E468-R486 IonicContact OE1-NH1 2.75Å; E468-R486 PolarHBondContact OE1-NH1 3.05Å; E468-R486 IonicContact OE1-NH2 3.78Å; E468-R486 PolarHBondContact OE1-NH2 3.35Å; E468-R486 IonicContact OE2-CZ 2.65Å; E468-R486 VanDerWaalsContact OE2-CZ 3.29Å; E468-R486 IonicContact OE2-NH1 3.83Å; E468-R486 PolarHBondContact OE2-NH1 2.71Å; E468-R486 IonicContact OE2-NH2 2.81Å; E468-R486 PolarHBondContact OE2-NH2 2.96Å; S484-R486 PolarHBondContact O-N 3.08Å; S484-R486 PolarHBondContact OG-N 2.92Å
487	T	89.8	Confident	88.2	Confident	8 Å²	8	57.2 Å²	57.2	5%	0.049	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-91.9	-2.2	171.1	58.9	0	0	0	0	112.9	P440 Y472 L482 Q483 S484	P440-T487 HydrophobicContact CB-CG2 3.99Å; P440-T487 HydrophobicContact CG-CG2 4.18Å; Y472-T487 HydrophobicContact CD2-CG2 3.9Å; Y472-T487 HydrophobicContact CE2-CG2 3.53Å; L482-T487 WeakPolarHBondContact O-CG2 3.28Å; Q483-T487 WeakPolarHBondContact CA-OG1 3.38Å; Q483-T487 PolarHBondContact OE1-OG1 3.45Å; S484-T487 PolarHBondContact N-OG1 3.45Å; S484-T487 PolarHBondContact O-N 3.38Å; S484-T487 PolarHBondContact O-OG1 2.65Å
488	R	89.2	Confident	89	Confident	81 Å²	81	49.5 Å²	49.5	31%	0.306	26%	0.256	S	S	.	.	S	Bend	trans	-95.9	117.3	179.6	-174.2	171.7	178.4	-92	-14.6	110.3	D401 R438 P485 D736	D401-R488 IonicContact OD2-CZ 3.21Å; D401-R488 IonicContact OD2-NH1 2.68Å; D401-R488 PolarHBondContact OD2-NH1 2.71Å; R438-R488 PolarHBondContact NE-O 3.07Å; R438-R488 PolarHBondContact NH2-O 3.4Å; P485-R488 PolarHBondContact O-N 2.87Å; R488-D736 IonicContact CZ-OD2 2.82Å; R488-D736 IonicContact NE-OD1 3.82Å; R488-D736 IonicContact NE-OD2 2.8Å; R488-D736 PolarHBondContact NE-OD2 3.33Å; R488-D736 IonicContact NH2-OD1 3.9Å; R488-D736 IonicContact NH2-OD2 2.93Å; R488-D736 PolarHBondContact NH2-OD2 2.99Å
489	P	90.6	Very high	89.6	Confident	39 Å²	39	42 Å²	42	25%	0.253	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-62.7	155.9	-177.1	24.9	-34.8	0	0	0	113.5	L441 T493 V494	L441-P489 HydrophobicContact CD1-CB 3.96Å; P489-T493 WeakPolarHBondContact CB-OG1 3.44Å; P489-V494 HydrophobicContact CB-CG2 3.86Å; P489-V494 HydrophobicContact CG-CG2 3.58Å
490	R	91.5	Very high	90.2	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-70.7	149.6	169.6	-63.9	-173.9	-165.3	-93.1	-6.4	109.7	L398 S400 I403 E408 H436 R438 A492 T493 V494	L398-R490 PolarHBondContact O-NH1 2.96Å; L398-R490 PolarHBondContact O-NH2 2.99Å; L398-R490 VanDerWaalsContact O-NH2 3.13Å; S400-R490 PolarHBondContact O-NH1 3.37Å; I403-R490 VanDerWaalsContact CD1-NH1 3.32Å; E408-R490 IonicContact OE1-CZ 3.97Å; E408-R490 IonicContact OE1-NE 3.73Å; E408-R490 PolarHBondContact OE1-NE 3.24Å; E408-R490 IonicContact OE1-NH2 3.89Å; E408-R490 PolarHBondContact OE1-NH2 2.75Å; E408-R490 WeakPolarHBondContact OE2-CD 3.45Å; E408-R490 IonicContact OE2-CZ 3.85Å; E408-R490 IonicContact OE2-NE 3.6Å; E408-R490 PolarHBondContact OE2-NE 3.29Å; E408-R490 IonicContact OE2-NH2 2.65Å; H436-R490 PolarHBondContact O-NH2 3.18Å; R438-R490 VanDerWaalsContact NH1-CZ 3.29Å; R490-A492 PolarHBondContact O-N 3.2Å; R490-A492 VanDerWaalsContact O-N 3.07Å; R490-T493 HydrophobicContact CB-CG2 4.26Å; R490-T493 PolarHBondContact N-OG1 2.9Å; R490-T493 VanDerWaalsContact N-OG1 3.16Å; R490-T493 PolarHBondContact O-N 3.23Å; R490-T493 PolarHBondContact O-OG1 2.86Å; R490-V494 PolarHBondContact O-N 3.06Å
491	K	92.2	Very high	90.8	Very high	57 Å²	57	35 Å²	35	25%	0.248	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-29.5	-173.1	-60.4	-175.8	-150.6	161.1	0	113.5	D401 D402 L517 R518	D401-K491 HydrophobicContact CB-CG 4.31Å; D401-K491 PolarHBondContact O-N 3.11Å; D402-K491 VanDerWaalsContact OD1-CD 3.29Å; D402-K491 WeakPolarHBondContact OD1-CD 3.29Å; D402-K491 VanDerWaalsContact OD1-CE 3.28Å; D402-K491 WeakPolarHBondContact OD1-CE 3.31Å; D402-K491 IonicContact OD1-NZ 3.18Å; D402-K491 PolarHBondContact OD1-NZ 3.21Å; D402-K491 WeakPolarHBondContact OD2-CE 3.26Å; D402-K491 IonicContact OD2-NZ 3.16Å; D402-K491 PolarHBondContact OD2-NZ 2.98Å; K491-L517 HydrophobicContact CB-CD2 4.26Å; K491-L517 HydrophobicContact CB-CG 4.11Å; K491-L517 HydrophobicContact CD-CG 4.42Å; K491-L517 HydrophobicContact CG-CD2 4.38Å; K491-L517 HydrophobicContact CG-CG 4.2Å; K491-R518 HydrophobicContact CB-CB 4.15Å; K491-R518 HydrophobicContact CB-CG 4.36Å
492	A	91.3	Very high	91.3	Very high	27 Å²	27	28 Å²	28	22%	0.223	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-44.5	173.7	0	0	0	0	0	113	I403 V405 R490 V494	I403-A492 WeakPolarHBondContact O-CB 3.45Å; V405-A492 WeakPolarHBondContact O-CB 3.37Å; R490-A492 PolarHBondContact O-N 3.2Å; R490-A492 VanDerWaalsContact O-N 3.07Å; A492-V494 VanDerWaalsContact C-N 3.26Å; A492-V494 PolarHBondContact O-N 3.46Å
493	T	90.4	Very high	91.6	Very high	12 Å²	12	28 Å²	28	7%	0.074	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-11.1	-173.4	64.9	0	0	0	0	115.1	V405 P489 R490 G495 R782	V405-T493 HydrophobicContact CG2-CG2 4.25Å; P489-T493 WeakPolarHBondContact CB-OG1 3.44Å; R490-T493 HydrophobicContact CB-CG2 4.26Å; R490-T493 PolarHBondContact N-OG1 2.9Å; R490-T493 VanDerWaalsContact N-OG1 3.16Å; R490-T493 PolarHBondContact O-N 3.23Å; R490-T493 PolarHBondContact O-OG1 2.86Å; T493-G495 VanDerWaalsContact C-N 3.34Å; T493-R782 PolarHBondContact O-NE 3.17Å; T493-R782 VanDerWaalsContact O-NE 3.14Å; T493-R782 PolarHBondContact O-NH2 2.79Å
494	V	90.2	Very high	91.8	Very high	24 Å²	24	25.5 Å²	25.5	15%	0.145	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-27.6	179.4	167.9	0	0	0	0	112.5	P489 R490 A492 L517 L734 G735	P489-V494 HydrophobicContact CB-CG2 3.86Å; P489-V494 HydrophobicContact CG-CG2 3.58Å; R490-V494 PolarHBondContact O-N 3.06Å; A492-V494 VanDerWaalsContact C-N 3.26Å; A492-V494 PolarHBondContact O-N 3.46Å; V494-L517 HydrophobicContact CB-CD2 4.19Å; V494-L517 HydrophobicContact CG1-CD2 4.02Å; V494-L517 HydrophobicContact CG2-CD2 4.18Å; V494-L734 HydrophobicContact CG1-CD1 3.64Å; V494-L734 HydrophobicContact CG1-CG 3.74Å; V494-G735 VanDerWaalsContact CG1-N 3.29Å
495	G	89.1	Confident	91.7	Very high	15 Å²	15	28 Å²	28	16%	0.155	17%	0.168	C	C	.	.			trans	89.6	-161.4	-166.4	0	0	0	0	0	112.7	T493 V781	T493-G495 VanDerWaalsContact C-N 3.34Å; G495-V781 CarbonylContact C-O 3.58Å; G495-V781 WeakPolarHBondContact CA-O 3.47Å
496	A	91.9	Very high	91.6	Very high	6 Å²	6	25.7 Å²	25.7	5%	0.05	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	146.7	-175.1	0	0	0	0	0	112.5	F498 Q514 A780 V781 L783	A496-F498 HydrophobicContact CB-CE2 4.14Å; A496-Q514 HydrophobicContact CB-CG 3.82Å; A496-A780 WeakPolarHBondContact O-CA 3.2Å; A496-V781 PolarHBondContact N-O 3.03Å; A496-V781 PolarHBondContact O-N 3.34Å; A496-L783 HydrophobicContact CB-CD1 3.9Å
497	M	95.7	Very high	91.1	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	138.6	173.3	173.6	172	58.1	0	0	110.2	Q514 Y515 W522 C732 L734 Y739 V741 V778 V779	M497-Q514 CarbonylContact O-C 3.57Å; M497-Q514 WeakPolarHBondContact O-CA 3.35Å; M497-Y515 HydrophobicContact CE-CD1 3.76Å; M497-Y515 HydrophobicContact CE-CE1 4.41Å; M497-Y515 HydrophobicContact CE-CG 4.06Å; M497-Y515 PolarHBondContact O-N 3.07Å; M497-W522 HydrophobicContact CE-CH2 3.79Å; M497-W522 HydrophobicContact CE-CZ2 3.75Å; M497-W522 HydrophobicContact CG-CH2 4.21Å; M497-W522 HydrophobicContact SD-CH2 4.43Å; M497-C732 HydrophobicContact SD-CB 4.27Å; M497-L734 HydrophobicContact CB-CD1 4.18Å; M497-L734 HydrophobicContact CB-CD2 3.89Å; M497-L734 HydrophobicContact CB-CG 4.47Å; M497-Y739 HydrophobicContact CE-CD1 3.72Å; M497-Y739 HydrophobicContact CE-CD2 4.42Å; M497-Y739 HydrophobicContact CE-CE1 4.46Å; M497-Y739 HydrophobicContact CE-CG 3.71Å; M497-Y739 HydrophobicContact SD-CG 4.16Å; M497-V741 HydrophobicContact CE-CG2 4.04Å; M497-V741 HydrophobicContact SD-CG2 4.03Å; M497-V778 HydrophobicContact CG-CG1 3.56Å; M497-V778 HydrophobicContact SD-CG1 3.44Å; M497-V778 WeakPolarHBondContact SD-CG1 3.41Å; M497-V779 CarbonylContact C-O 3.59Å; M497-V779 WeakPolarHBondContact CA-O 3.42Å
498	F	96.9	Very high	90.9	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.009	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	131.3	178.9	-71	-105	0	0	0	109.8	A496 V500 I512 E513 Q514 V525 L544 P564 V778 V779 V781 L783	A496-F498 HydrophobicContact CB-CE2 4.14Å; F498-V500 HydrophobicContact CB-CG2 4.45Å; F498-I512 HydrophobicContact CD1-CG2 3.87Å; F498-E513 CarbonylContact C-O 3.58Å; F498-E513 VanDerWaalsContact CA-O 3.3Å; F498-E513 WeakPolarHBondContact CA-O 3.34Å; F498-Q514 HydrophobicContact CD1-CB 4.23Å; F498-Q514 HydrophobicContact CD1-CG 4.44Å; F498-Q514 HydrophobicContact CE1-CB 4.11Å; F498-Q514 HydrophobicContact CE1-CG 4.09Å; F498-Q514 HydrophobicContact CE2-CG 4.21Å; F498-Q514 HydrophobicContact CZ-CB 4.49Å; F498-Q514 HydrophobicContact CZ-CG 3.96Å; F498-V525 HydrophobicContact CD1-CG2 4.29Å; F498-V525 HydrophobicContact CE1-CG2 3.97Å; F498-L544 HydrophobicContact CB-CD1 4.29Å; F498-L544 HydrophobicContact CD1-CD1 4Å; F498-L544 HydrophobicContact CG-CD1 4.19Å; F498-P564 HydrophobicContact CE1-CB 4.46Å; F498-P564 HydrophobicContact CZ-CB 4.12Å; F498-P564 HydrophobicContact CZ-CG 4.23Å; F498-V778 VanDerWaalsContact O-CA 3.3Å; F498-V778 WeakPolarHBondContact O-CA 3.41Å; F498-V779 HydrophobicContact CB-CG2 4.38Å; F498-V779 PolarHBondContact N-O 3.11Å; F498-V779 PolarHBondContact O-N 2.72Å; F498-V781 HydrophobicContact CD2-CB 4.23Å; F498-V781 HydrophobicContact CD2-CG2 3.71Å; F498-V781 HydrophobicContact CE2-CB 3.88Å; F498-V781 HydrophobicContact CE2-CG2 3.74Å; F498-L783 HydrophobicContact CE2-CD1 4.1Å; F498-L783 HydrophobicContact CZ-CD1 4.04Å; F498-L783 HydrophobicContact CZ-CD2 4.44Å
499	A	97	Very high	90.8	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	113	169.3	0	0	0	0	0	109.1	I512 E513 W522 V741 L769 V778	A499-I512 WeakPolarHBondContact O-CA 3.25Å; A499-E513 PolarHBondContact N-O 3.5Å; A499-E513 PolarHBondContact O-N 3.15Å; A499-W522 HydrophobicContact CB-CH2 3.94Å; A499-W522 HydrophobicContact CB-CZ3 3.61Å; A499-V741 HydrophobicContact CB-CG1 4.34Å; A499-L769 HydrophobicContact CB-CD2 3.84Å; A499-V778 HydrophobicContact CB-CG2 4.24Å
500	V	96.6	Very high	90.9	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	115.3	-171.3	-175.4	0	0	0	0	109.8	F498 I512 M528 F535 V537 L544 V546 C777	F498-V500 HydrophobicContact CB-CG2 4.45Å; V500-I512 HydrophobicContact CG1-CD1 4.14Å; V500-I512 HydrophobicContact CG1-CG1 4.13Å; V500-I512 HydrophobicContact CG2-CG2 4.29Å; V500-M528 HydrophobicContact CG1-CG 4.49Å; V500-M528 HydrophobicContact CG1-SD 3.88Å; V500-F535 HydrophobicContact CB-CE2 4.33Å; V500-F535 HydrophobicContact CG1-CE2 3.77Å; V500-F535 HydrophobicContact CG1-CZ 3.99Å; V500-F535 WeakPolarHBondContact O-CZ 3.39Å; V500-V537 HydrophobicContact CB-CG2 4.16Å; V500-V537 HydrophobicContact CG1-CG2 4.07Å; V500-V537 HydrophobicContact CG2-CG2 4.41Å; V500-L544 HydrophobicContact CG2-CD1 4.09Å; V500-V546 HydrophobicContact CG1-CG2 4.34Å; V500-C777 HydrophobicContact CB-CB 4.43Å; V500-C777 PolarHBondContact N-O 3.16Å; V500-C777 PolarHBondContact O-N 3.14Å; V500-C777 VanDerWaalsContact O-N 3.12Å
501	G	94.3	Very high	91.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	17%	0.168	C	C	.	.			trans	56.5	-138.7	171.8	0	0	0	0	0	114.5	A509 S511 R773 A776	G501-A509 WeakPolarHBondContact CA-O 3.43Å; G501-S511 PolarHBondContact N-O 3.34Å; G501-R773 WeakPolarHBondContact O-CD 3.45Å; G501-R773 PolarHBondContact O-NH1 3.41Å; G501-A776 WeakPolarHBondContact O-CB 3.22Å
502	G	92.4	Very high	91.2	Very high	1 Å²	1	25 Å²	25	1%	0.01	16%	0.156	C	C	.	.			trans	106.9	-170.7	-176.3	0	0	0	0	0	113	G508 A509 L533 A774	G502-G508 CarbonylContact O-C 3.59Å; G502-G508 WeakPolarHBondContact O-CA 3.48Å; G502-A509 PolarHBondContact O-N 3.39Å; G502-L533 WeakPolarHBondContact O-CD2 3.41Å; G502-A774 CarbonylContact C-O 3.52Å; G502-A774 WeakPolarHBondContact CA-O 3.39Å
503	M	91.8	Very high	91.5	Very high	55 Å²	55	23.7 Å²	23.7	27%	0.271	15%	0.145	S	C	.	.	B	Isolated β-bridge	trans	-107	123.5	174.8	-173.7	170.4	-70.6	0	0	110.2	L533 Y749 R773 A774	M503-L533 HydrophobicContact CB-CD2 4Å; M503-L533 HydrophobicContact CE-CD1 3.61Å; M503-L533 HydrophobicContact CE-CD2 4.06Å; M503-L533 HydrophobicContact CE-CG 4.47Å; M503-Y749 HydrophobicContact CB-CE1 4.34Å; M503-Y749 HydrophobicContact CG-CE1 3.94Å; M503-Y749 VanDerWaalsContact O-CD1 3.31Å; M503-Y749 WeakPolarHBondContact O-CD1 3.14Å; M503-Y749 HydrophobicContact SD-CE1 4.38Å; M503-Y749 PolarHBondContact SD-OH 2.83Å; M503-R773 CarbonylContact O-C 3.57Å; M503-R773 VanDerWaalsContact O-CA 3.27Å; M503-R773 WeakPolarHBondContact O-CA 3.5Å; M503-A774 PolarHBondContact N-O 2.78Å; M503-A774 PolarHBondContact O-N 2.94Å
504	D	89.8	Confident	91.7	Very high	16 Å²	16	24 Å²	24	9%	0.086	15%	0.146	C	C	.	.			trans	-119.1	-171.4	-179.3	68.2	-42.2	0	0	0	110.5	S506 K507 G508 A509 Y749 G772	D504-S506 VanDerWaalsContact CG-N 3.3Å; D504-S506 PolarHBondContact O-N 3.28Å; D504-S506 PolarHBondContact OD1-N 3.02Å; D504-S506 PolarHBondContact OD1-OG 3.42Å; D504-S506 WeakPolarHBondContact OD2-CB 3.38Å; D504-S506 PolarHBondContact OD2-N 3.42Å; D504-S506 PolarHBondContact OD2-OG 3.22Å; D504-K507 WeakPolarHBondContact O-CA 3.38Å; D504-K507 PolarHBondContact O-N 3.01Å; D504-K507 PolarHBondContact OD1-N 3.06Å; D504-G508 WeakPolarHBondContact OD1-CA 3.36Å; D504-G508 PolarHBondContact OD1-N 3.5Å; D504-A509 HydrophobicContact CB-CB 4.13Å; D504-A509 PolarHBondContact OD1-N 3.14Å; D504-Y749 VanDerWaalsContact C-CD2 3.49Å; D504-Y749 WeakPolarHBondContact O-CE2 3.31Å; D504-G772 WeakPolarHBondContact CB-O 3.48Å
505	A	86	Confident	92	Very high	91 Å²	91	23.2 Å²	23.2	75%	0.752	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-31.7	172.4	0	0	0	0	0	113.5	K507	A505-K507 PolarHBondContact O-N 3.06Å
506	S	85.3	Confident	92	Very high	66 Å²	66	24 Å²	24	46%	0.462	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	2.1	174.2	82.4	0	0	0	0	114.2	D504 R531	D504-S506 VanDerWaalsContact CG-N 3.3Å; D504-S506 PolarHBondContact O-N 3.28Å; D504-S506 PolarHBondContact OD1-N 3.02Å; D504-S506 PolarHBondContact OD1-OG 3.42Å; D504-S506 WeakPolarHBondContact OD2-CB 3.38Å; D504-S506 PolarHBondContact OD2-N 3.42Å; D504-S506 PolarHBondContact OD2-OG 3.22Å; S506-R531 VanDerWaalsContact O-CZ 3.24Å; S506-R531 PolarHBondContact O-NH1 3.02Å; S506-R531 PolarHBondContact O-NH2 3.4Å; S506-R531 PolarHBondContact OG-NH2 2.88Å
507	K	81.6	Confident	92	Very high	151 Å²	151	25 Å²	25	66%	0.657	15%	0.148	S	C	*	.	S	Bend	trans	68.3	25.2	-178.9	-51	179.2	-177.7	176.8	0	115.1	D504 A505 R531	D504-K507 WeakPolarHBondContact O-CA 3.38Å; D504-K507 PolarHBondContact O-N 3.01Å; D504-K507 PolarHBondContact OD1-N 3.06Å; A505-K507 PolarHBondContact O-N 3.06Å; K507-R531 VanDerWaalsContact C-NH1 3.34Å; K507-R531 PolarHBondContact O-NH1 3.43Å
508	G	84.3	Confident	91.8	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.01	16%	0.157	C	C	.	.	S	Bend	trans	160.2	96.7	171	0	0	0	0	0	112.8	G502 D504 R531	G502-G508 CarbonylContact O-C 3.59Å; G502-G508 WeakPolarHBondContact O-CA 3.48Å; D504-G508 WeakPolarHBondContact OD1-CA 3.36Å; D504-G508 PolarHBondContact OD1-N 3.5Å; G508-R531 VanDerWaalsContact O-CZ 3.24Å; G508-R531 PolarHBondContact O-NE 2.79Å; G508-R531 PolarHBondContact O-NH2 2.95Å
509	A	88.3	Confident	91.4	Very high	4 Å²	4	34 Å²	34	3%	0.033	18%	0.181	C	C	.	.			trans	-71	133.1	178.5	0	0	0	0	0	110.8	G501 G502 D504 M528	G501-A509 WeakPolarHBondContact CA-O 3.43Å; G502-A509 PolarHBondContact O-N 3.39Å; D504-A509 HydrophobicContact CB-CB 4.13Å; D504-A509 PolarHBondContact OD1-N 3.14Å; A509-M528 WeakPolarHBondContact O-CE 3.25Å
510	T	92.9	Very high	91.3	Very high	47 Å²	47	37.3 Å²	37.3	29%	0.288	20%	0.199	S	C	.	.			trans	-102.3	-11.9	172.4	52.7	0	0	0	0	112.6	T527 M528 R531	T510-T527 CarbonylContact O-C 3.57Å; T510-T527 WeakPolarHBondContact O-CA 3.48Å; T510-T527 WeakPolarHBondContact OG1-CG2 3.38Å; T510-M528 PolarHBondContact O-N 2.79Å; T510-R531 HydrophobicContact CG2-CB 4.47Å
511	S	94.5	Very high	91.2	Very high	7 Å²	7	40.3 Å²	40.3	5%	0.049	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	140.4	-177.8	53	0	0	0	0	112.8	G501 R773	G501-S511 PolarHBondContact N-O 3.34Å; S511-R773 PolarHBondContact O-NH1 2.84Å; S511-R773 PolarHBondContact OG-NH2 2.75Å
512	I	95.6	Very high	91.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	115.2	170.1	-59.1	-175.2	0	0	0	107.6	F498 A499 V500 Q524 V525 A526 M528 W569	F498-I512 HydrophobicContact CD1-CG2 3.87Å; A499-I512 WeakPolarHBondContact O-CA 3.25Å; V500-I512 HydrophobicContact CG1-CD1 4.14Å; V500-I512 HydrophobicContact CG1-CG1 4.13Å; V500-I512 HydrophobicContact CG2-CG2 4.29Å; I512-Q524 WeakPolarHBondContact O-CA 3.22Å; I512-V525 HydrophobicContact CG2-CG2 4.11Å; I512-V525 PolarHBondContact O-N 3.26Å; I512-A526 HydrophobicContact CB-CB 4.17Å; I512-A526 HydrophobicContact CD1-CB 4.3Å; I512-A526 PolarHBondContact N-O 2.98Å; I512-A526 PolarHBondContact O-N 2.75Å; I512-M528 HydrophobicContact CD1-CG 4.22Å; I512-M528 HydrophobicContact CG1-CG 4.28Å; I512-W569 HydrophobicContact CD1-CH2 4.01Å; I512-W569 HydrophobicContact CD1-CZ2 3.72Å
513	E	96	Very high	91.4	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	139.1	175.7	-63.4	-178.9	-146.3	0	0	110.3	F498 A499 W522 R523 L769 C770 L771 R773	F498-E513 CarbonylContact C-O 3.58Å; F498-E513 VanDerWaalsContact CA-O 3.3Å; F498-E513 WeakPolarHBondContact CA-O 3.34Å; A499-E513 PolarHBondContact N-O 3.5Å; A499-E513 PolarHBondContact O-N 3.15Å; E513-W522 HydrophobicContact CB-CE3 3.77Å; E513-W522 HydrophobicContact CB-CZ3 4.34Å; E513-R523 CarbonylContact C-O 3.52Å; E513-R523 WeakPolarHBondContact CA-O 3.48Å; E513-L769 HydrophobicContact CB-CD2 4.47Å; E513-L769 WeakPolarHBondContact OE2-CA 3.48Å; E513-L769 WeakPolarHBondContact OE2-CD2 3.07Å; E513-C770 PolarHBondContact OE2-N 2.95Å; E513-L771 PolarHBondContact OE1-N 3.1Å; E513-R773 IonicContact OE1-CZ 3.3Å; E513-R773 IonicContact OE1-NE 3.53Å; E513-R773 IonicContact OE1-NH2 2.66Å; E513-R773 PolarHBondContact OE1-NH2 2.74Å
514	Q	95.6	Very high	91.6	Very high	19 Å²	19	50.2 Å²	50.2	9%	0.089	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	129.9	174.2	-175.5	-167.6	9.8	0	0	109.5	A496 M497 F498 W522 R523 V525	A496-Q514 HydrophobicContact CB-CG 3.82Å; M497-Q514 CarbonylContact O-C 3.57Å; M497-Q514 WeakPolarHBondContact O-CA 3.35Å; F498-Q514 HydrophobicContact CD1-CB 4.23Å; F498-Q514 HydrophobicContact CD1-CG 4.44Å; F498-Q514 HydrophobicContact CE1-CB 4.11Å; F498-Q514 HydrophobicContact CE1-CG 4.09Å; F498-Q514 HydrophobicContact CE2-CG 4.21Å; F498-Q514 HydrophobicContact CZ-CB 4.49Å; F498-Q514 HydrophobicContact CZ-CG 3.96Å; Q514-W522 CarbonylContact O-C 3.6Å; Q514-W522 WeakPolarHBondContact O-CA 3.35Å; Q514-R523 HydrophobicContact CB-CG 4.38Å; Q514-R523 PolarHBondContact N-O 3.29Å; Q514-R523 PolarHBondContact O-N 2.95Å; Q514-R523 VanDerWaalsContact OE1-NE 3.12Å; Q514-V525 HydrophobicContact CB-CB 4.5Å; Q514-V525 HydrophobicContact CB-CG1 3.67Å; Q514-V525 HydrophobicContact CB-CG2 3.97Å
515	Y	95.9	Very high	91.8	Very high	6 Å²	6	51.5 Å²	51.5	2%	0.024	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	136	172.4	178.7	-112.7	0	0	0	111.6	M497 L517 D520 T521 W522 L734 Y739	M497-Y515 HydrophobicContact CE-CD1 3.76Å; M497-Y515 HydrophobicContact CE-CE1 4.41Å; M497-Y515 HydrophobicContact CE-CG 4.06Å; M497-Y515 PolarHBondContact O-N 3.07Å; Y515-L517 HydrophobicContact CE1-CB 4.12Å; Y515-L517 HydrophobicContact CE1-CD1 3.99Å; Y515-D520 WeakPolarHBondContact CE2-OD1 3.4Å; Y515-D520 PolarHBondContact OH-OD1 2.94Å; Y515-D520 VanDerWaalsContact OH-OD1 3.11Å; Y515-T521 WeakPolarHBondContact CA-O 3.22Å; Y515-W522 AromaticContact CD2-CD1 3.85Å; Y515-W522 HydrophobicContact CD2-CD2 4.08Å; Y515-W522 AromaticContact CD2-CE2 3.74Å; Y515-W522 HydrophobicContact CD2-CG 4.18Å; Y515-W522 HydrophobicContact CD2-CZ2 4.28Å; Y515-W522 AromaticContact CD2-NE1 3.55Å; Y515-W522 HydrophobicContact CG-CD2 4.35Å; Y515-W522 HydrophobicContact CG-CZ2 4.19Å; Y515-L734 HydrophobicContact CD1-CD2 3.68Å; Y515-L734 HydrophobicContact CE1-CD2 3.9Å; Y515-Y739 HydrophobicContact CE1-CE1 4.04Å
516	C	90.3	Very high	92.2	Very high	31 Å²	31	47.9 Å²	47.9	21%	0.209	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	100.8	175.8	-174.8	0	0	0	0	110.9	R518 R519 D520 T521	C516-R518 PolarHBondContact O-N 3.11Å; C516-R518 VanDerWaalsContact O-N 3.11Å; C516-R519 HydrophobicContact CB-CB 4.3Å; C516-R519 PolarHBondContact O-N 3.35Å; C516-D520 PolarHBondContact O-N 3.04Å; C516-T521 PolarHBondContact N-O 2.98Å
517	L	92.1	Very high	92.6	Very high	29 Å²	29	47.8 Å²	47.8	15%	0.152	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-29.7	-176.9	-178.1	61.8	0	0	0	114.1	K491 V494 Y515 L734 Y739	K491-L517 HydrophobicContact CB-CD2 4.26Å; K491-L517 HydrophobicContact CB-CG 4.11Å; K491-L517 HydrophobicContact CD-CG 4.42Å; K491-L517 HydrophobicContact CG-CD2 4.38Å; K491-L517 HydrophobicContact CG-CG 4.2Å; V494-L517 HydrophobicContact CB-CD2 4.19Å; V494-L517 HydrophobicContact CG1-CD2 4.02Å; V494-L517 HydrophobicContact CG2-CD2 4.18Å; Y515-L517 HydrophobicContact CE1-CB 4.12Å; Y515-L517 HydrophobicContact CE1-CD1 3.99Å; L517-L734 HydrophobicContact CB-CD2 4.16Å; L517-L734 HydrophobicContact CD2-CD2 4.42Å; L517-L734 HydrophobicContact CD2-CG 4.5Å; L517-Y739 VanDerWaalsContact CD1-OH 3.29Å; L517-Y739 WeakPolarHBondContact CD1-OH 3.43Å
518	R	90.6	Very high	93.1	Very high	50 Å²	50	41 Å²	41	19%	0.189	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-27.6	178.4	-159.1	-137.9	-50.1	130.7	3.5	113.4	E375 D402 N404 K491 C516	E375-R518 IonicContact OE1-CZ 2.77Å; E375-R518 IonicContact OE1-NH1 3.74Å; E375-R518 PolarHBondContact OE1-NH1 2.76Å; D402-R518 HydrophobicContact CB-CG 4.3Å; D402-R518 VanDerWaalsContact O-CD 3.31Å; D402-R518 WeakPolarHBondContact O-CD 3.4Å; D402-R518 WeakPolarHBondContact OD1-CG 3.21Å; N404-R518 PolarHBondContact ND2-NH2 2.64Å; N404-R518 PolarHBondContact OD1-NH2 2.77Å; K491-R518 HydrophobicContact CB-CB 4.15Å; K491-R518 HydrophobicContact CB-CG 4.36Å; C516-R518 PolarHBondContact O-N 3.11Å; C516-R518 VanDerWaalsContact O-N 3.11Å
519	R	89.1	Confident	93.3	Very high	140 Å²	140	44.8 Å²	44.8	53%	0.528	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-10.1	-175.7	-63.7	-172	71.5	118.9	6	113.8	E375 C516	E375-R519 IonicContact OE1-CZ 3.63Å; E375-R519 IonicContact OE1-NH1 3.29Å; E375-R519 PolarHBondContact OE1-NH1 3.01Å; E375-R519 IonicContact OE2-CZ 3.32Å; E375-R519 IonicContact OE2-NH1 3.41Å; E375-R519 PolarHBondContact OE2-NH1 2.76Å; C516-R519 HydrophobicContact CB-CB 4.3Å; C516-R519 PolarHBondContact O-N 3.35Å
520	D	93.8	Very high	93.2	Very high	70 Å²	70	46.4 Å²	46.4	37%	0.374	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.1	58.4	-166.2	-166.8	18.7	0	0	0	111.6	Y515 C516 A767	Y515-D520 WeakPolarHBondContact CE2-OD1 3.4Å; Y515-D520 PolarHBondContact OH-OD1 2.94Å; Y515-D520 VanDerWaalsContact OH-OD1 3.11Å; C516-D520 PolarHBondContact O-N 3.04Å; D520-A767 WeakPolarHBondContact O-CB 3.24Å; D520-A767 WeakPolarHBondContact OD1-CB 3.35Å; D520-A767 PolarHBondContact OD1-N 3.02Å; D520-A767 PolarHBondContact OD2-N 2.98Å
521	T	94.7	Very high	93.1	Very high	62 Å²	62	49 Å²	49	38%	0.38	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	145.1	177.1	55.3	0	0	0	0	112.6	Y515 C516	Y515-T521 WeakPolarHBondContact CA-O 3.22Å; C516-T521 PolarHBondContact N-O 2.98Å
522	W	96.3	Very high	93	Very high	19 Å²	19	49.2 Å²	49.2	7%	0.072	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	149.7	163.7	-67	87.8	0	0	0	110.7	M497 A499 E513 Q514 Y515 V741 V753 A767 S768 L769	M497-W522 HydrophobicContact CE-CH2 3.79Å; M497-W522 HydrophobicContact CE-CZ2 3.75Å; M497-W522 HydrophobicContact CG-CH2 4.21Å; M497-W522 HydrophobicContact SD-CH2 4.43Å; A499-W522 HydrophobicContact CB-CH2 3.94Å; A499-W522 HydrophobicContact CB-CZ3 3.61Å; E513-W522 HydrophobicContact CB-CE3 3.77Å; E513-W522 HydrophobicContact CB-CZ3 4.34Å; Q514-W522 CarbonylContact O-C 3.6Å; Q514-W522 WeakPolarHBondContact O-CA 3.35Å; Y515-W522 AromaticContact CD2-CD1 3.85Å; Y515-W522 HydrophobicContact CD2-CD2 4.08Å; Y515-W522 AromaticContact CD2-CE2 3.74Å; Y515-W522 HydrophobicContact CD2-CG 4.18Å; Y515-W522 HydrophobicContact CD2-CZ2 4.28Å; Y515-W522 AromaticContact CD2-NE1 3.55Å; Y515-W522 HydrophobicContact CG-CD2 4.35Å; Y515-W522 HydrophobicContact CG-CZ2 4.19Å; W522-V741 HydrophobicContact CH2-CG1 4.06Å; W522-V741 HydrophobicContact CH2-CG2 4.24Å; W522-V741 HydrophobicContact CZ2-CG1 4.13Å; W522-V741 HydrophobicContact CZ2-CG2 4.07Å; W522-V753 HydrophobicContact CZ2-CG2 3.99Å; W522-A767 PolarHBondContact NE1-O 3.05Å; W522-S768 VanDerWaalsContact CD1-C 3.47Å; W522-L769 HydrophobicContact CD2-CD2 3.62Å; W522-L769 HydrophobicContact CE3-CD2 3.63Å; W522-L769 HydrophobicContact CG-CD2 4.29Å; W522-L769 HydrophobicContact CH2-CD2 3.81Å; W522-L769 HydrophobicContact CZ2-CD2 3.81Å; W522-L769 HydrophobicContact CZ3-CD2 3.73Å
523	R	95.6	Very high	93	Very high	144 Å²	144	49.9 Å²	49.9	54%	0.543	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	138.2	171.2	57.5	176.6	-169.9	-169.3	2.2	110.2	E513 Q514 V525	E513-R523 CarbonylContact C-O 3.52Å; E513-R523 WeakPolarHBondContact CA-O 3.48Å; Q514-R523 HydrophobicContact CB-CG 4.38Å; Q514-R523 PolarHBondContact N-O 3.29Å; Q514-R523 PolarHBondContact O-N 2.95Å; Q514-R523 VanDerWaalsContact OE1-NE 3.12Å; R523-V525 HydrophobicContact CG-CG1 3.89Å; R523-V525 PolarHBondContact O-N 2.77Å
524	Q	94.8	Very high	92.9	Very high	102 Å²	102	53 Å²	53	48%	0.477	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	130.2	167.4	-175.9	170.7	-17.7	0	0	109.5	I512 A526 T527	I512-Q524 WeakPolarHBondContact O-CA 3.22Å; Q524-A526 PolarHBondContact NE2-O 3.01Å; Q524-T527 PolarHBondContact NE2-OG1 3.11Å
525	V	94.4	Very high	92.9	Very high	42 Å²	42	52.5 Å²	52.5	26%	0.255	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	-22.7	-177.6	-65.2	0	0	0	0	113.8	F498 I512 Q514 R523	F498-V525 HydrophobicContact CD1-CG2 4.29Å; F498-V525 HydrophobicContact CE1-CG2 3.97Å; I512-V525 HydrophobicContact CG2-CG2 4.11Å; I512-V525 PolarHBondContact O-N 3.26Å; Q514-V525 HydrophobicContact CB-CB 4.5Å; Q514-V525 HydrophobicContact CB-CG1 3.67Å; Q514-V525 HydrophobicContact CB-CG2 3.97Å; R523-V525 HydrophobicContact CG-CG1 3.89Å; R523-V525 PolarHBondContact O-N 2.77Å
526	A	94.1	Very high	93	Very high	15 Å²	15	52.4 Å²	52.4	12%	0.124	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	176.8	178.8	0	0	0	0	0	111.3	I512 Q524 Y562	I512-A526 HydrophobicContact CB-CB 4.17Å; I512-A526 HydrophobicContact CD1-CB 4.3Å; I512-A526 PolarHBondContact N-O 2.98Å; I512-A526 PolarHBondContact O-N 2.75Å; Q524-A526 PolarHBondContact NE2-O 3.01Å; A526-Y562 HydrophobicContact CB-CE1 4.22Å; A526-Y562 HydrophobicContact CB-CE2 3.78Å
527	T	94.4	Very high	93.4	Very high	65 Å²	65	51.4 Å²	51.4	40%	0.399	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	142	173.5	-52.3	0	0	0	0	107.9	T510 Q524 W569	T510-T527 CarbonylContact O-C 3.57Å; T510-T527 WeakPolarHBondContact O-CA 3.48Å; T510-T527 WeakPolarHBondContact OG1-CG2 3.38Å; Q524-T527 PolarHBondContact NE2-OG1 3.11Å; T527-W569 PolarHBondContact O-NE1 3.05Å
528	M	92.9	Very high	93.6	Very high	9 Å²	9	50.3 Å²	50.3	4%	0.044	25%	0.253	C	S	.	.			trans	-68.7	152.8	173	-61.6	-168.3	-63	0	0	111.6	V500 A509 T510 I512 G530 R532 F535 W569	V500-M528 HydrophobicContact CG1-CG 4.49Å; V500-M528 HydrophobicContact CG1-SD 3.88Å; A509-M528 WeakPolarHBondContact O-CE 3.25Å; T510-M528 PolarHBondContact O-N 2.79Å; I512-M528 HydrophobicContact CD1-CG 4.22Å; I512-M528 HydrophobicContact CG1-CG 4.28Å; M528-G530 PolarHBondContact O-N 2.83Å; M528-R532 HydrophobicContact CE-CB 4.2Å; M528-F535 HydrophobicContact CE-CE1 3.98Å; M528-F535 HydrophobicContact CE-CZ 4.02Å; M528-F535 HydrophobicContact SD-CE1 4.24Å; M528-F535 HydrophobicContact SD-CE2 4.39Å; M528-F535 HydrophobicContact SD-CZ 3.86Å; M528-W569 HydrophobicContact CB-CH2 4.45Å; M528-W569 HydrophobicContact CB-CZ2 4.25Å; M528-W569 HydrophobicContact CG-CH2 4.03Å; M528-W569 HydrophobicContact CG-CZ2 4.06Å
529	S	87.1	Confident	93.8	Very high	79 Å²	79	49.9 Å²	49.9	55%	0.552	26%	0.256	S	S	*	.	S	Bend	trans	-56.8	-20.8	179.6	-43.1	0	0	0	0	114.6	E560	S529-E560 WeakPolarHBondContact CB-OE1 3.43Å; S529-E560 PolarHBondContact OG-OE1 3.3Å
530	G	87.1	Confident	94	Very high	38 Å²	38	43.9 Å²	43.9	39%	0.392	24%	0.235	S	C	.	.	S	Bend	trans	-170.6	178.4	177.2	0	0	0	0	0	112.3	M528 R532	M528-G530 PolarHBondContact O-N 2.83Å; G530-R532 PolarHBondContact O-N 2.86Å
531	R	90.1	Very high	93.8	Very high	103 Å²	103	46.9 Å²	46.9	39%	0.389	25%	0.251	S	S	.	.			trans	-68.3	121.6	174.6	176.7	163.5	-72.6	-165.9	-4.7	110	S506 K507 G508 T510	S506-R531 VanDerWaalsContact O-CZ 3.24Å; S506-R531 PolarHBondContact O-NH1 3.02Å; S506-R531 PolarHBondContact O-NH2 3.4Å; S506-R531 PolarHBondContact OG-NH2 2.88Å; K507-R531 VanDerWaalsContact C-NH1 3.34Å; K507-R531 PolarHBondContact O-NH1 3.43Å; G508-R531 VanDerWaalsContact O-CZ 3.24Å; G508-R531 PolarHBondContact O-NE 2.79Å; G508-R531 PolarHBondContact O-NH2 2.95Å; T510-R531 HydrophobicContact CG2-CB 4.47Å
532	R	93.8	Very high	93.6	Very high	10 Å²	10	45.3 Å²	45.3	4%	0.038	25%	0.247	C	C	.	.			trans	-135.7	136.7	177.6	-160.5	-174.4	-83.9	-111.4	3.9	107.9	M528 G530 F535 G548 R550 L556 T558 E560	M528-R532 HydrophobicContact CE-CB 4.2Å; G530-R532 PolarHBondContact O-N 2.86Å; R532-F535 HydrophobicContact CB-CD1 3.88Å; R532-F535 HydrophobicContact CB-CE1 4.17Å; R532-F535 HydrophobicContact CG-CB 4.1Å; R532-F535 HydrophobicContact CG-CD1 3.66Å; R532-F535 HydrophobicContact CG-CE1 4.43Å; R532-F535 HydrophobicContact CG-CG 4.12Å; R532-F535 VanDerWaalsContact O-CE1 3.28Å; R532-F535 WeakPolarHBondContact O-CE1 3.33Å; R532-G548 VanDerWaalsContact CD-O 3.31Å; R532-G548 WeakPolarHBondContact CD-O 3.12Å; R532-G548 PolarHBondContact NH1-O 2.66Å; R532-R550 CarbonylContact C-O 3.58Å; R532-R550 WeakPolarHBondContact CA-O 3.47Å; R532-L556 HydrophobicContact CG-CD1 4.15Å; R532-T558 PolarHBondContact NH1-O 2.87Å; R532-T558 PolarHBondContact NH1-OG1 2.85Å; R532-T558 PolarHBondContact NH2-OG1 2.89Å; R532-T558 VanDerWaalsContact NH2-OG1 3.09Å; R532-E560 IonicContact CZ-OE2 3.46Å; R532-E560 IonicContact NE-OE2 3.85Å; R532-E560 PolarHBondContact NE-OE2 2.86Å; R532-E560 IonicContact NH2-OE2 3.05Å; R532-E560 PolarHBondContact NH2-OE2 3.5Å
533	L	93.7	Very high	93.5	Very high	15 Å²	15	49.1 Å²	49.1	8%	0.079	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-129.7	147	-178.9	-70.8	173.6	0	0	0	110.4	G502 M503 F535 G549 R550	G502-L533 WeakPolarHBondContact O-CD2 3.41Å; M503-L533 HydrophobicContact CB-CD2 4Å; M503-L533 HydrophobicContact CE-CD1 3.61Å; M503-L533 HydrophobicContact CE-CD2 4.06Å; M503-L533 HydrophobicContact CE-CG 4.47Å; L533-F535 PolarHBondContact O-N 2.61Å; L533-F535 VanDerWaalsContact O-N 3.09Å; L533-G549 CarbonylContact O-C 3.43Å; L533-G549 WeakPolarHBondContact O-CA 3.43Å; L533-R550 HydrophobicContact CB-CG 4.03Å; L533-R550 PolarHBondContact N-O 3Å; L533-R550 PolarHBondContact O-N 3.48Å
534	Q	94.4	Very high	93.6	Very high	66 Å²	66	42.3 Å²	42.3	31%	0.308	24%	0.236	S	C	.	.	S	Bend	trans	51.6	33.9	175.9	-57.4	177.1	-53.8	0	0	113.5	G549 H580 G581	Q534-G549 WeakPolarHBondContact O-CA 3.36Å; Q534-H580 HydrophobicContact CB-CB 4.39Å; Q534-H580 PolarHBondContact OE1-CD2 3.18Å; Q534-G581 PolarHBondContact O-N 3.32Å
535	F	96.9	Very high	93.7	Very high	7 Å²	7	38.4 Å²	38.4	3%	0.031	22%	0.217	C	C	.	.			trans	-78.5	169.5	165.4	55.1	-86	0	0	0	109.6	V500 M528 R532 L533 V537 V546 V547 G548 C777	V500-F535 HydrophobicContact CB-CE2 4.33Å; V500-F535 HydrophobicContact CG1-CE2 3.77Å; V500-F535 HydrophobicContact CG1-CZ 3.99Å; V500-F535 WeakPolarHBondContact O-CZ 3.39Å; M528-F535 HydrophobicContact CE-CE1 3.98Å; M528-F535 HydrophobicContact CE-CZ 4.02Å; M528-F535 HydrophobicContact SD-CE1 4.24Å; M528-F535 HydrophobicContact SD-CE2 4.39Å; M528-F535 HydrophobicContact SD-CZ 3.86Å; R532-F535 HydrophobicContact CB-CD1 3.88Å; R532-F535 HydrophobicContact CB-CE1 4.17Å; R532-F535 HydrophobicContact CG-CB 4.1Å; R532-F535 HydrophobicContact CG-CD1 3.66Å; R532-F535 HydrophobicContact CG-CE1 4.43Å; R532-F535 HydrophobicContact CG-CG 4.12Å; R532-F535 VanDerWaalsContact O-CE1 3.28Å; R532-F535 WeakPolarHBondContact O-CE1 3.33Å; L533-F535 PolarHBondContact O-N 2.61Å; L533-F535 VanDerWaalsContact O-N 3.09Å; F535-V537 HydrophobicContact CD2-CG2 3.72Å; F535-V537 HydrophobicContact CE2-CG2 3.55Å; F535-V546 HydrophobicContact CB-CG1 4.33Å; F535-V546 HydrophobicContact CD2-CG1 3.72Å; F535-V546 HydrophobicContact CE2-CG1 4.2Å; F535-V546 HydrophobicContact CG-CG1 4.05Å; F535-V547 WeakPolarHBondContact CA-O 3.37Å; F535-V547 WeakPolarHBondContact CB-O 3.09Å; F535-G548 WeakPolarHBondContact CB-O 3.4Å; F535-C777 HydrophobicContact CE2-CB 4.06Å; F535-C777 PolarHBondContact O-SG 2.74Å
536	G	97.4	Very high	93.9	Very high	4 Å²	4	36.4 Å²	36.4	4%	0.041	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	157.6	163.9	0	0	0	0	0	111.3	V547	G536-V547 PolarHBondContact N-O 2.8Å; G536-V547 PolarHBondContact O-N 2.87Å
537	V	97.6	Very high	94.1	Very high	11 Å²	11	35.7 Å²	35.7	7%	0.067	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	137	169.4	-178.5	0	0	0	0	110.1	V500 F535 L544 Y545 V546 C777 V779	V500-V537 HydrophobicContact CB-CG2 4.16Å; V500-V537 HydrophobicContact CG1-CG2 4.07Å; V500-V537 HydrophobicContact CG2-CG2 4.41Å; F535-V537 HydrophobicContact CD2-CG2 3.72Å; F535-V537 HydrophobicContact CE2-CG2 3.55Å; V537-L544 HydrophobicContact CG1-CB 4.35Å; V537-Y545 VanDerWaalsContact CA-O 3.26Å; V537-Y545 WeakPolarHBondContact CA-O 3.29Å; V537-V546 HydrophobicContact CG2-CG2 4.17Å; V537-C777 HydrophobicContact CB-CB 3.69Å; V537-C777 HydrophobicContact CG2-CB 3.41Å; V537-C777 VanDerWaalsContact CG2-CB 3.41Å; V537-V779 HydrophobicContact CB-CG1 4.31Å; V537-V779 HydrophobicContact CG1-CG1 4.13Å; V537-V779 HydrophobicContact CG1-CG2 4.01Å
538	A	96.1	Very high	94.2	Very high	5 Å²	5	32.6 Å²	32.6	4%	0.041	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	161.3	164.5	0	0	0	0	0	111.1	Y545 V584 V586 M591	A538-Y545 PolarHBondContact N-O 3.39Å; A538-Y545 PolarHBondContact O-N 3Å; A538-V584 HydrophobicContact CB-CG1 3.86Å; A538-V586 HydrophobicContact CB-CG2 4.11Å; A538-M591 HydrophobicContact CB-CG 3.98Å; A538-M591 HydrophobicContact CB-SD 4.11Å
539	V	95.6	Very high	94.4	Very high	41 Å²	41	32.2 Å²	32.2	25%	0.248	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	125.6	175.4	-177.5	0	0	0	0	108.5	R543 L544 V779 V781	V539-R543 WeakPolarHBondContact CA-O 3.48Å; V539-L544 HydrophobicContact CG2-CD2 3.96Å; V539-V779 HydrophobicContact CG2-CB 3.7Å; V539-V779 HydrophobicContact CG2-CG1 4.37Å; V539-V779 HydrophobicContact CG2-CG2 3.68Å; V539-V781 HydrophobicContact CG1-CB 4.49Å; V539-V781 HydrophobicContact CG1-CG1 4.23Å; V539-V781 HydrophobicContact CG1-CG2 4.02Å; V539-V781 HydrophobicContact CG2-CG2 3.84Å
540	L	93.1	Very high	94.7	Very high	15 Å²	15	31.9 Å²	31.9	8%	0.079	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	131.9	175.6	-177.6	65.1	0	0	0	107.9	G542 R543 Y545 V586 G589 M591 P611	L540-G542 PolarHBondContact O-N 2.96Å; L540-G542 VanDerWaalsContact O-N 3.13Å; L540-R543 PolarHBondContact N-O 3.4Å; L540-R543 VanDerWaalsContact N-O 3.13Å; L540-R543 WeakPolarHBondContact O-CB 3.5Å; L540-R543 PolarHBondContact O-N 2.65Å; L540-Y545 HydrophobicContact CB-CD2 3.94Å; L540-Y545 HydrophobicContact CB-CE2 3.74Å; L540-Y545 HydrophobicContact CD2-CE2 4.41Å; L540-Y545 HydrophobicContact CG-CE2 4.43Å; L540-V586 HydrophobicContact CB-CG2 4.33Å; L540-V586 HydrophobicContact CD1-CG1 4.3Å; L540-V586 HydrophobicContact CD1-CG2 4.39Å; L540-G589 WeakPolarHBondContact CD1-O 3.37Å; L540-M591 HydrophobicContact CD2-CE 4.33Å; L540-P611 HydrophobicContact CD2-CB 4.25Å
541	D	89.9	Confident	94.8	Very high	132 Å²	132	33.5 Å²	33.5	71%	0.706	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.6	39.7	-178.8	-51.5	-29.3	0	0	0	114.4	R543	D541-R543 VanDerWaalsContact C-N 3.27Å; D541-R543 PolarHBondContact O-N 2.99Å
542	G	91.3	Very high	94.6	Very high	30 Å²	30	30.5 Å²	30.5	31%	0.309	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.9	4.5	-178.7	0	0	0	0	0	115.4	L540 P564	L540-G542 PolarHBondContact O-N 2.96Å; L540-G542 VanDerWaalsContact O-N 3.13Å; G542-P564 WeakPolarHBondContact O-CD 3.42Å
543	R	94.3	Very high	94.1	Very high	99 Å²	99	39 Å²	39	37%	0.374	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	149.5	-174.5	-55.4	178.1	-171	-146.5	-0.7	111.8	V539 L540 D541 Y545 Y562 N563	V539-R543 WeakPolarHBondContact CA-O 3.48Å; L540-R543 PolarHBondContact N-O 3.4Å; L540-R543 VanDerWaalsContact N-O 3.13Å; L540-R543 WeakPolarHBondContact O-CB 3.5Å; L540-R543 PolarHBondContact O-N 2.65Å; D541-R543 VanDerWaalsContact C-N 3.27Å; D541-R543 PolarHBondContact O-N 2.99Å; R543-Y545 HydrophobicContact CB-CD2 4.4Å; R543-Y545 HydrophobicContact CB-CE2 3.92Å; R543-Y562 WeakPolarHBondContact CA-O 3.31Å; R543-Y562 WeakPolarHBondContact CB-O 3.49Å; R543-N563 HydrophobicContact CG-CB 4.3Å
544	L	96.9	Very high	94	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	117.5	177.1	-52.3	-175.1	0	0	0	109.7	F498 V500 V537 V539 C561 Y562 P564 V779 V781	F498-L544 HydrophobicContact CB-CD1 4.29Å; F498-L544 HydrophobicContact CD1-CD1 4Å; F498-L544 HydrophobicContact CG-CD1 4.19Å; V500-L544 HydrophobicContact CG2-CD1 4.09Å; V537-L544 HydrophobicContact CG1-CB 4.35Å; V539-L544 HydrophobicContact CG2-CD2 3.96Å; L544-C561 CarbonylContact O-C 3.48Å; L544-C561 WeakPolarHBondContact O-CA 3.43Å; L544-Y562 HydrophobicContact CD1-CD1 4.01Å; L544-Y562 HydrophobicContact CG-CD1 4.29Å; L544-Y562 PolarHBondContact N-O 2.87Å; L544-Y562 PolarHBondContact O-N 2.78Å; L544-P564 HydrophobicContact CG-CG 4.39Å; L544-V779 HydrophobicContact CD2-CG2 3.75Å; L544-V781 HydrophobicContact CD2-CG2 3.51Å
545	Y	97.1	Very high	94.2	Very high	21 Å²	21	41.7 Å²	41.7	8%	0.082	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	110.2	175.6	-75.9	-101.1	0	0	0	110.2	V537 A538 L540 R543 V559 C561 M572 M591	V537-Y545 VanDerWaalsContact CA-O 3.26Å; V537-Y545 WeakPolarHBondContact CA-O 3.29Å; A538-Y545 PolarHBondContact N-O 3.39Å; A538-Y545 PolarHBondContact O-N 3Å; L540-Y545 HydrophobicContact CB-CD2 3.94Å; L540-Y545 HydrophobicContact CB-CE2 3.74Å; L540-Y545 HydrophobicContact CD2-CE2 4.41Å; L540-Y545 HydrophobicContact CG-CE2 4.43Å; R543-Y545 HydrophobicContact CB-CD2 4.4Å; R543-Y545 HydrophobicContact CB-CE2 3.92Å; Y545-V559 HydrophobicContact CD1-CG1 4.31Å; Y545-C561 HydrophobicContact CD1-CB 4.08Å; Y545-C561 HydrophobicContact CE1-CB 3.88Å; Y545-M572 HydrophobicContact CD1-CG 4.19Å; Y545-M572 HydrophobicContact CE1-CE 4.06Å; Y545-M572 HydrophobicContact CE1-CG 3.84Å; Y545-M572 HydrophobicContact CE1-SD 4.14Å; Y545-M591 HydrophobicContact CD1-CE 3.75Å; Y545-M591 HydrophobicContact CD2-CE 4.03Å; Y545-M591 HydrophobicContact CE1-CE 4.45Å; Y545-M591 HydrophobicContact CG-CE 3.49Å; Y545-M591 VanDerWaalsContact CG-CE 3.49Å
546	V	97.6	Very high	94.2	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	115.6	176.6	179.2	0	0	0	0	108.9	V500 F535 V537 V559 E560 W569	V500-V546 HydrophobicContact CG1-CG2 4.34Å; F535-V546 HydrophobicContact CB-CG1 4.33Å; F535-V546 HydrophobicContact CD2-CG1 3.72Å; F535-V546 HydrophobicContact CE2-CG1 4.2Å; F535-V546 HydrophobicContact CG-CG1 4.05Å; V537-V546 HydrophobicContact CG2-CG2 4.17Å; V546-V559 WeakPolarHBondContact O-CA 3.48Å; V546-E560 HydrophobicContact CB-CB 4.41Å; V546-E560 PolarHBondContact N-O 3.06Å; V546-E560 PolarHBondContact O-N 3.46Å; V546-W569 HydrophobicContact CG2-CH2 3.95Å; V546-W569 HydrophobicContact CG2-CZ3 3.95Å
547	V	98.1	Very high	94.2	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	123.2	-168.9	-176.6	0	0	0	0	110.5	F535 G536 V559 M575 L582 V584 M591 A593 W616	F535-V547 WeakPolarHBondContact CA-O 3.37Å; F535-V547 WeakPolarHBondContact CB-O 3.09Å; G536-V547 PolarHBondContact N-O 2.8Å; G536-V547 PolarHBondContact O-N 2.87Å; V547-V559 HydrophobicContact CG1-CG2 4.19Å; V547-V559 HydrophobicContact CG2-CG1 4.09Å; V547-M575 HydrophobicContact CG1-CE 3.74Å; V547-M575 HydrophobicContact CG1-CG 4.35Å; V547-M575 HydrophobicContact CG1-SD 3.43Å; V547-M575 WeakPolarHBondContact CG1-SD 3.48Å; V547-L582 HydrophobicContact CG1-CD1 3.9Å; V547-V584 HydrophobicContact CB-CG2 4.11Å; V547-V584 HydrophobicContact CG1-CG2 4.31Å; V547-V584 HydrophobicContact CG2-CG1 4.19Å; V547-M591 HydrophobicContact CG2-SD 3.82Å; V547-A593 HydrophobicContact CG1-CB 4.41Å; V547-W616 HydrophobicContact CG1-CH2 4.2Å; V547-W616 HydrophobicContact CG1-CZ2 4.38Å
548	G	97.5	Very high	94.2	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.243	C	C	.	.			trans	64.6	-137.6	171.9	0	0	0	0	0	114.2	R532 F535 L556 T558 R579	R532-G548 VanDerWaalsContact CD-O 3.31Å; R532-G548 WeakPolarHBondContact CD-O 3.12Å; R532-G548 PolarHBondContact NH1-O 2.66Å; F535-G548 WeakPolarHBondContact CB-O 3.4Å; G548-L556 WeakPolarHBondContact CA-O 3.13Å; G548-T558 PolarHBondContact N-O 3.16Å; G548-T558 VanDerWaalsContact N-O 3.1Å; G548-R579 CarbonylContact C-O 3.59Å
549	G	96.4	Very high	94.2	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.242	C	C	.	.			trans	84.7	-161	-171.5	0	0	0	0	0	113.3	L533 Q534 L556 R579	L533-G549 CarbonylContact O-C 3.43Å; L533-G549 WeakPolarHBondContact O-CA 3.43Å; Q534-G549 WeakPolarHBondContact O-CA 3.36Å; G549-L556 WeakPolarHBondContact O-CB 3.39Å; G549-L556 PolarHBondContact O-N 3.35Å; G549-R579 PolarHBondContact N-O 2.87Å
550	R	94	Very high	94.3	Very high	73 Å²	73	44.7 Å²	44.7	28%	0.275	24%	0.236	S	C	.	.	B	Isolated β-bridge	trans	-138.4	145.6	178.2	63.4	-175.2	-173.2	-171	4.6	111.7	R532 L533 K554 H580	R532-R550 CarbonylContact C-O 3.58Å; R532-R550 WeakPolarHBondContact CA-O 3.47Å; L533-R550 HydrophobicContact CB-CG 4.03Å; L533-R550 PolarHBondContact N-O 3Å; L533-R550 PolarHBondContact O-N 3.48Å; R550-K554 WeakPolarHBondContact CA-O 3.42Å; R550-K554 WeakPolarHBondContact CB-O 3.34Å; R550-H580 HydrophobicContact CB-CB 4.22Å; R550-H580 HydrophobicContact CG-CB 4.39Å
551	D	89.8	Confident	94.4	Very high	71 Å²	71	44.1 Å²	44.1	38%	0.38	23%	0.233	S	C	.	.	S	Bend	trans	-95	7.6	177.6	57.7	13.7	0	0	0	112.8	K554 L556	D551-K554 PolarHBondContact N-O 2.99Å; D551-K554 VanDerWaalsContact OD1-CB 3.31Å; D551-K554 WeakPolarHBondContact OD1-CB 3.39Å; D551-K554 VanDerWaalsContact OD1-O 3.14Å; D551-K554 IonicContact OD2-NZ 2.94Å; D551-L556 HydrophobicContact CB-CD1 4.37Å
552	G	85.1	Confident	94.7	Very high	41 Å²	41	38 Å²	38	42%	0.423	20%	0.2	S	C	.	.	S	Bend	trans	147.8	-108.4	-174.6	0	0	0	0	0	108.8
553	L	83.1	Confident	94.8	Very high	189 Å²	189	38 Å²	38	99%	0.99	19%	0.193	S	C	*	.	S	Bend	trans	-82.5	-20.9	174.2	-64.8	177.2	0	0	0	113.6
554	K	92.8	Very high	94.7	Very high	125 Å²	125	34.1 Å²	34.1	54%	0.543	18%	0.181	S	C	.	.	S	Bend	trans	-96.9	127.4	-175.8	160.5	-171.3	174.1	-154	0	110.8	R550 D551 L556	R550-K554 WeakPolarHBondContact CA-O 3.42Å; R550-K554 WeakPolarHBondContact CB-O 3.34Å; D551-K554 PolarHBondContact N-O 2.99Å; D551-K554 VanDerWaalsContact OD1-CB 3.31Å; D551-K554 WeakPolarHBondContact OD1-CB 3.39Å; D551-K554 VanDerWaalsContact OD1-O 3.14Å; D551-K554 IonicContact OD2-NZ 2.94Å; K554-L556 HydrophobicContact CD-CD2 4.46Å; K554-L556 HydrophobicContact CG-CD2 4.41Å
555	T	96.7	Very high	94.4	Very high	12 Å²	12	42.2 Å²	42.2	7%	0.074	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-72.5	147.9	167.3	-47.7	0	0	0	0	110	H578 R579 H580 D598	T555-H578 HydrophobicContact CG2-CB 3.8Å; T555-H578 PolarHBondContact O-CD2 3.23Å; T555-H578 VanDerWaalsContact O-CD2 3.3Å; T555-R579 VanDerWaalsContact CG2-C 3.43Å; T555-R579 VanDerWaalsContact CG2-N 3.28Å; T555-H580 HydrophobicContact CG2-CB 4.06Å; T555-H580 WeakPolarHBondContact CG2-ND1 3.38Å; T555-H580 PolarHBondContact OG1-ND1 2.85Å; T555-D598 WeakPolarHBondContact CB-O 3.49Å; T555-D598 WeakPolarHBondContact CG2-O 3.4Å; T555-D598 PolarHBondContact OG1-O 3.34Å
556	L	97.1	Very high	94.2	Very high	14 Å²	14	43.9 Å²	43.9	7%	0.073	23%	0.233	C	C	.	.			trans	-111.6	145.6	179.4	-58.8	177.5	0	0	0	111.5	R532 G548 G549 D551 K554 R579	R532-L556 HydrophobicContact CG-CD1 4.15Å; G548-L556 WeakPolarHBondContact CA-O 3.13Å; G549-L556 WeakPolarHBondContact O-CB 3.39Å; G549-L556 PolarHBondContact O-N 3.35Å; D551-L556 HydrophobicContact CB-CD1 4.37Å; K554-L556 HydrophobicContact CD-CD2 4.46Å; K554-L556 HydrophobicContact CG-CD2 4.41Å; L556-R579 PolarHBondContact O-N 3.33Å
557	N	97.5	Very high	93.9	Very high	32 Å²	32	51.1 Å²	51.1	17%	0.171	26%	0.264	C	S	.	.			trans	-104.9	-3.9	161.9	68.3	-20.9	0	0	0	112.4	P574 M575 T577 H578	N557-P574 HydrophobicContact CB-CB 4.47Å; N557-P574 WeakPolarHBondContact O-CA 3.44Å; N557-P574 WeakPolarHBondContact O-CB 3.44Å; N557-M575 HydrophobicContact CB-CB 4.27Å; N557-M575 WeakPolarHBondContact CB-O 3.42Å; N557-M575 PolarHBondContact ND2-O 2.98Å; N557-M575 PolarHBondContact O-N 2.81Å; N557-T577 WeakPolarHBondContact CB-O 3.39Å; N557-H578 HydrophobicContact CB-CB 4.44Å; N557-H578 PolarHBondContact N-CD2 2.9Å
558	T	97.4	Very high	93.8	Very high	54 Å²	54	54.6 Å²	54.6	33%	0.331	29%	0.286	S	S	.	.			trans	-72.2	146.4	-172.5	62.4	0	0	0	0	112.5	R532 G548	R532-T558 PolarHBondContact NH1-O 2.87Å; R532-T558 PolarHBondContact NH1-OG1 2.85Å; R532-T558 PolarHBondContact NH2-OG1 2.89Å; R532-T558 VanDerWaalsContact NH2-OG1 3.09Å; G548-T558 PolarHBondContact N-O 3.16Å; G548-T558 VanDerWaalsContact N-O 3.1Å
559	V	97.5	Very high	93.7	Very high	3 Å²	3	57.6 Å²	57.6	2%	0.018	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	130.5	-179.9	-175.5	0	0	0	0	109.3	Y545 V546 V547 M572 M575 W616	Y545-V559 HydrophobicContact CD1-CG1 4.31Å; V546-V559 WeakPolarHBondContact O-CA 3.48Å; V547-V559 HydrophobicContact CG1-CG2 4.19Å; V547-V559 HydrophobicContact CG2-CG1 4.09Å; V559-M572 HydrophobicContact CB-CB 3.95Å; V559-M572 HydrophobicContact CG1-CB 3.84Å; V559-M572 HydrophobicContact CG1-CG 4.37Å; V559-M572 PolarHBondContact O-N 2.87Å; V559-M575 HydrophobicContact CG2-CG 4.42Å; V559-W616 HydrophobicContact CG2-CZ2 3.9Å
560	E	96.3	Very high	93.6	Very high	28 Å²	28	60.1 Å²	60.1	13%	0.131	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	134	178.2	-64.8	-176.9	94.6	0	0	109.9	S529 R532 V546 W569	S529-E560 WeakPolarHBondContact CB-OE1 3.43Å; S529-E560 PolarHBondContact OG-OE1 3.3Å; R532-E560 IonicContact CZ-OE2 3.46Å; R532-E560 IonicContact NE-OE2 3.85Å; R532-E560 PolarHBondContact NE-OE2 2.86Å; R532-E560 IonicContact NH2-OE2 3.05Å; R532-E560 PolarHBondContact NH2-OE2 3.5Å; V546-E560 HydrophobicContact CB-CB 4.41Å; V546-E560 PolarHBondContact N-O 3.06Å; V546-E560 PolarHBondContact O-N 3.46Å; E560-W569 HydrophobicContact CB-CE3 3.87Å; E560-W569 HydrophobicContact CB-CZ3 3.83Å
561	C	95.9	Very high	93.7	Very high	2 Å²	2	62.8 Å²	62.8	1%	0.014	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	123.7	177.2	167.2	0	0	0	0	109.6	L544 Y545 W569 S570 M572	L544-C561 CarbonylContact O-C 3.48Å; L544-C561 WeakPolarHBondContact O-CA 3.43Å; Y545-C561 HydrophobicContact CD1-CB 4.08Å; Y545-C561 HydrophobicContact CE1-CB 3.88Å; C561-W569 CarbonylContact O-C 3.58Å; C561-W569 WeakPolarHBondContact O-CA 3.35Å; C561-S570 PolarHBondContact N-O 2.82Å; C561-S570 PolarHBondContact O-N 3.4Å; C561-M572 HydrophobicContact CB-CG 3.63Å; C561-M572 HydrophobicContact CB-SD 4Å
562	Y	96.1	Very high	94	Very high	5 Å²	5	60.7 Å²	60.7	2%	0.02	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	130.3	169.2	175.1	-103.3	0	0	0	110.4	A526 R543 L544 P564 K567 W569	A526-Y562 HydrophobicContact CB-CE1 4.22Å; A526-Y562 HydrophobicContact CB-CE2 3.78Å; R543-Y562 WeakPolarHBondContact CA-O 3.31Å; R543-Y562 WeakPolarHBondContact CB-O 3.49Å; L544-Y562 HydrophobicContact CD1-CD1 4.01Å; L544-Y562 HydrophobicContact CG-CD1 4.29Å; L544-Y562 PolarHBondContact N-O 2.87Å; L544-Y562 PolarHBondContact O-N 2.78Å; Y562-P564 HydrophobicContact CD1-CG 4.15Å; Y562-P564 HydrophobicContact CE1-CB 4.11Å; Y562-P564 HydrophobicContact CE1-CG 4.04Å; Y562-P564 WeakPolarHBondContact O-CD 3.33Å; Y562-K567 HydrophobicContact CE2-CB 4.49Å; Y562-W569 HydrophobicContact CD2-CD2 4.02Å; Y562-W569 AromaticContact CD2-CE2 3.71Å; Y562-W569 HydrophobicContact CD2-CG 4.23Å; Y562-W569 HydrophobicContact CD2-CZ2 4.1Å; Y562-W569 AromaticContact CD2-NE1 3.78Å; Y562-W569 HydrophobicContact CG-CD2 4.42Å; Y562-W569 HydrophobicContact CG-CH2 4.45Å; Y562-W569 HydrophobicContact CG-CZ2 4.17Å
563	N	94.2	Very high	94.6	Very high	28 Å²	28	60.9 Å²	60.9	15%	0.15	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	111.6	171.9	-179.1	-2.6	0	0	0	110	R543 H565 S566 K567 T568	R543-N563 HydrophobicContact CG-CB 4.3Å; N563-H565 PolarHBondContact O-N 3.24Å; N563-H565 WeakPolarHBondContact OD1-CB 3.28Å; N563-H565 PolarHBondContact OD1-N 2.85Å; N563-S566 WeakPolarHBondContact CB-OG 3.41Å; N563-S566 VanDerWaalsContact CG-OG 3.28Å; N563-S566 PolarHBondContact ND2-OG 2.74Å; N563-K567 WeakPolarHBondContact O-CA 3.44Å; N563-K567 PolarHBondContact O-N 2.8Å; N563-T568 PolarHBondContact N-O 3.26Å
564	P	91.6	Very high	95.3	Very high	19 Å²	19	55.1 Å²	55.1	12%	0.123	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-28.1	179	-23.7	34.6	0	0	0	114.7	F498 G542 L544 Y562 L783	F498-P564 HydrophobicContact CE1-CB 4.46Å; F498-P564 HydrophobicContact CZ-CB 4.12Å; F498-P564 HydrophobicContact CZ-CG 4.23Å; G542-P564 WeakPolarHBondContact O-CD 3.42Å; L544-P564 HydrophobicContact CG-CG 4.39Å; Y562-P564 HydrophobicContact CD1-CG 4.15Å; Y562-P564 HydrophobicContact CE1-CB 4.11Å; Y562-P564 HydrophobicContact CE1-CG 4.04Å; Y562-P564 WeakPolarHBondContact O-CD 3.33Å; P564-L783 HydrophobicContact CB-CD2 3.92Å; P564-L783 HydrophobicContact CG-CD2 4.29Å
565	H	89.7	Confident	95.6	Very high	169 Å²	169	49.3 Å²	49.3	78%	0.782	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-54.3	-177.6	-173.7	99.1	0	0	0	111.7	N563 K567	N563-H565 PolarHBondContact O-N 3.24Å; N563-H565 WeakPolarHBondContact OD1-CB 3.28Å; N563-H565 PolarHBondContact OD1-N 2.85Å; H565-K567 VanDerWaalsContact C-N 3.31Å
566	S	92.9	Very high	95.6	Very high	57 Å²	57	52 Å²	52	40%	0.399	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-7.8	177.3	60.2	0	0	0	0	113.9	N563 T568	N563-S566 WeakPolarHBondContact CB-OG 3.41Å; N563-S566 VanDerWaalsContact CG-OG 3.28Å; N563-S566 PolarHBondContact ND2-OG 2.74Å; S566-T568 PolarHBondContact O-N 2.82Å; S566-T568 PolarHBondContact OG-OG1 2.91Å
567	K	92.5	Very high	95.6	Very high	151 Å²	151	52.8 Å²	52.8	66%	0.657	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	23.2	-175.4	-55.4	179	-177.4	174.9	0	114.5	Y562 N563 H565	Y562-K567 HydrophobicContact CE2-CB 4.49Å; N563-K567 WeakPolarHBondContact O-CA 3.44Å; N563-K567 PolarHBondContact O-N 2.8Å; H565-K567 VanDerWaalsContact C-N 3.31Å
568	T	94.7	Very high	95.6	Very high	74 Å²	74	55.1 Å²	55.1	45%	0.454	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	146.5	-177.9	49.2	0	0	0	0	112.7	N563 S566	N563-T568 PolarHBondContact N-O 3.26Å; S566-T568 PolarHBondContact O-N 2.82Å; S566-T568 PolarHBondContact OG-OG1 2.91Å
569	W	96.3	Very high	95.7	Very high	62 Å²	62	52.5 Å²	52.5	24%	0.235	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	158	167.9	-73.4	99.4	0	0	0	111.2	I512 T527 M528 V546 E560 C561 Y562	I512-W569 HydrophobicContact CD1-CH2 4.01Å; I512-W569 HydrophobicContact CD1-CZ2 3.72Å; T527-W569 PolarHBondContact O-NE1 3.05Å; M528-W569 HydrophobicContact CB-CH2 4.45Å; M528-W569 HydrophobicContact CB-CZ2 4.25Å; M528-W569 HydrophobicContact CG-CH2 4.03Å; M528-W569 HydrophobicContact CG-CZ2 4.06Å; V546-W569 HydrophobicContact CG2-CH2 3.95Å; V546-W569 HydrophobicContact CG2-CZ3 3.95Å; E560-W569 HydrophobicContact CB-CE3 3.87Å; E560-W569 HydrophobicContact CB-CZ3 3.83Å; C561-W569 CarbonylContact O-C 3.58Å; C561-W569 WeakPolarHBondContact O-CA 3.35Å; Y562-W569 HydrophobicContact CD2-CD2 4.02Å; Y562-W569 AromaticContact CD2-CE2 3.71Å; Y562-W569 HydrophobicContact CD2-CG 4.23Å; Y562-W569 HydrophobicContact CD2-CZ2 4.1Å; Y562-W569 AromaticContact CD2-NE1 3.78Å; Y562-W569 HydrophobicContact CG-CD2 4.42Å; Y562-W569 HydrophobicContact CG-CH2 4.45Å; Y562-W569 HydrophobicContact CG-CZ2 4.17Å
570	S	95.4	Very high	95.6	Very high	54 Å²	54	53.5 Å²	53.5	38%	0.378	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	134.3	175.4	-66.4	0	0	0	0	110.2	C561	C561-S570 PolarHBondContact N-O 2.82Å; C561-S570 PolarHBondContact O-N 3.4Å
571	V	95.9	Very high	95.6	Very high	128 Å²	128	52.5 Å²	52.5	78%	0.776	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.5	130.8	174.9	-177.7	0	0	0	0	109.2
572	M	95.9	Very high	95.7	Very high	28 Å²	28	52.9 Å²	52.9	14%	0.138	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	159.5	176.7	-61.8	-60.2	-55.5	0	0	110.3	Y545 V559 C561 W609	Y545-M572 HydrophobicContact CD1-CG 4.19Å; Y545-M572 HydrophobicContact CE1-CE 4.06Å; Y545-M572 HydrophobicContact CE1-CG 3.84Å; Y545-M572 HydrophobicContact CE1-SD 4.14Å; V559-M572 HydrophobicContact CB-CB 3.95Å; V559-M572 HydrophobicContact CG1-CB 3.84Å; V559-M572 HydrophobicContact CG1-CG 4.37Å; V559-M572 PolarHBondContact O-N 2.87Å; C561-M572 HydrophobicContact CB-CG 3.63Å; C561-M572 HydrophobicContact CB-SD 4Å; M572-W609 HydrophobicContact CE-CH2 4.19Å; M572-W609 HydrophobicContact CE-CZ2 3.79Å
573	P	96.9	Very high	95.8	Very high	44 Å²	44	53 Å²	53	29%	0.286	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-56.4	133.9	176.7	-26	36.5	0	0	0	111.7	W609 W616	P573-W609 HydrophobicContact CB-CH2 4.24Å; P573-W609 HydrophobicContact CB-CZ3 3.9Å; P573-W609 HydrophobicContact CG-CH2 3.75Å; P573-W609 HydrophobicContact CG-CZ3 3.94Å; P573-W616 PolarHBondContact O-NE1 2.8Å
574	P	97.8	Very high	96	Very high	68 Å²	68	52.5 Å²	52.5	44%	0.442	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-75	160.5	-175.4	33.1	-37.2	0	0	0	111.9	N557	N557-P574 HydrophobicContact CB-CB 4.47Å; N557-P574 WeakPolarHBondContact O-CA 3.44Å; N557-P574 WeakPolarHBondContact O-CB 3.44Å
575	M	98.3	Very high	96.3	Very high	3 Å²	3	52.2 Å²	52.2	2%	0.015	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-66.3	158.5	168.4	-62.8	177.2	-62.7	0	0	111.2	V547 N557 V559 T577 R579 L582 A593 W616	V547-M575 HydrophobicContact CG1-CE 3.74Å; V547-M575 HydrophobicContact CG1-CG 4.35Å; V547-M575 HydrophobicContact CG1-SD 3.43Å; V547-M575 WeakPolarHBondContact CG1-SD 3.48Å; N557-M575 HydrophobicContact CB-CB 4.27Å; N557-M575 WeakPolarHBondContact CB-O 3.42Å; N557-M575 PolarHBondContact ND2-O 2.98Å; N557-M575 PolarHBondContact O-N 2.81Å; V559-M575 HydrophobicContact CG2-CG 4.42Å; M575-T577 WeakPolarHBondContact CB-O 3.35Å; M575-R579 HydrophobicContact CE-CB 4.02Å; M575-R579 HydrophobicContact CE-CG 4.18Å; M575-L582 HydrophobicContact CE-CD1 4.29Å; M575-L582 HydrophobicContact SD-CD1 4.26Å; M575-A593 HydrophobicContact SD-CB 3.6Å; M575-W616 HydrophobicContact CG-CD2 3.84Å; M575-W616 HydrophobicContact CG-CE3 4.14Å; M575-W616 HydrophobicContact CG-CG 4.36Å; M575-W616 HydrophobicContact CG-CH2 4.2Å; M575-W616 HydrophobicContact CG-CZ2 3.9Å; M575-W616 HydrophobicContact CG-CZ3 4.31Å; M575-W616 HydrophobicContact SD-CH2 4.48Å
576	S	97.3	Very high	96.6	Very high	69 Å²	69	46.2 Å²	46.2	48%	0.483	27%	0.267	S	S	.	.	S	Bend	trans	-68.9	-40.2	173.8	-30.6	0	0	0	0	110.9	E607	S576-E607 WeakPolarHBondContact CA-OE2 3.3Å; S576-E607 WeakPolarHBondContact CB-OE2 3.3Å; S576-E607 PolarHBondContact N-OE2 3.06Å; S576-E607 PolarHBondContact OG-OE2 2.81Å
577	T	97.3	Very high	96.7	Very high	30 Å²	30	43.6 Å²	43.6	18%	0.184	25%	0.248	C	C	.	.	S	Bend	trans	-103	141.8	178.8	-49	0	0	0	0	110.7	N557 M575 R579 D598 L603 E607	N557-T577 WeakPolarHBondContact CB-O 3.39Å; M575-T577 WeakPolarHBondContact CB-O 3.35Å; T577-R579 HydrophobicContact CG2-CG 4.43Å; T577-D598 HydrophobicContact CG2-CB 4.27Å; T577-L603 HydrophobicContact CG2-CD1 3.87Å; T577-L603 HydrophobicContact CG2-CD2 4.37Å; T577-E607 WeakPolarHBondContact CB-OE1 3.32Å; T577-E607 PolarHBondContact N-OE1 2.82Å; T577-E607 PolarHBondContact OG1-OE1 3.03Å
578	H	98.2	Very high	96.7	Very high	81 Å²	81	42.2 Å²	42.2	38%	0.375	24%	0.244	S	C	.	.			trans	-73.3	134.7	168.3	-63.7	76.5	0	0	0	108.3	T555 N557 D598	T555-H578 HydrophobicContact CG2-CB 3.8Å; T555-H578 PolarHBondContact O-CD2 3.23Å; T555-H578 VanDerWaalsContact O-CD2 3.3Å; N557-H578 HydrophobicContact CB-CB 4.44Å; N557-H578 PolarHBondContact N-CD2 2.9Å; H578-D598 WeakPolarHBondContact O-CA 3.42Å; H578-D598 WeakPolarHBondContact O-CB 3.35Å
579	R	98.1	Very high	96.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	24%	0.237	C	C	.	.			trans	-144.1	122.2	-173.4	-59.8	178.7	-178	-90.9	-6.1	111.9	G548 G549 T555 L556 M575 T577 L582 G595 L603 T605 E607	G548-R579 CarbonylContact C-O 3.59Å; G549-R579 PolarHBondContact N-O 2.87Å; T555-R579 VanDerWaalsContact CG2-C 3.43Å; T555-R579 VanDerWaalsContact CG2-N 3.28Å; L556-R579 PolarHBondContact O-N 3.33Å; M575-R579 HydrophobicContact CE-CB 4.02Å; M575-R579 HydrophobicContact CE-CG 4.18Å; T577-R579 HydrophobicContact CG2-CG 4.43Å; R579-L582 HydrophobicContact CB-CB 4.24Å; R579-L582 HydrophobicContact CB-CD1 3.99Å; R579-L582 HydrophobicContact CB-CD2 4.43Å; R579-L582 HydrophobicContact CB-CG 4.45Å; R579-G595 PolarHBondContact NH1-O 3.42Å; R579-L603 HydrophobicContact CG-CD1 3.81Å; R579-T605 PolarHBondContact NH1-O 3.47Å; R579-T605 PolarHBondContact NH1-OG1 3.09Å; R579-T605 PolarHBondContact NH2-OG1 2.8Å; R579-E607 IonicContact CZ-OE1 2.89Å; R579-E607 VanDerWaalsContact CZ-OE1 3.27Å; R579-E607 IonicContact NE-OE1 3.42Å; R579-E607 PolarHBondContact NE-OE1 3.29Å; R579-E607 IonicContact NH2-OE1 2.67Å; R579-E607 PolarHBondContact NH2-OE1 2.87Å
580	H	97.1	Very high	96.4	Very high	24 Å²	24	38.4 Å²	38.4	11%	0.111	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-120.2	151.9	162.4	71	-98.7	0	0	0	111.3	Q534 R550 T555 L582 G596 H597	Q534-H580 HydrophobicContact CB-CB 4.39Å; Q534-H580 PolarHBondContact OE1-CD2 3.18Å; R550-H580 HydrophobicContact CB-CB 4.22Å; R550-H580 HydrophobicContact CG-CB 4.39Å; T555-H580 HydrophobicContact CG2-CB 4.06Å; T555-H580 WeakPolarHBondContact CG2-ND1 3.38Å; T555-H580 PolarHBondContact OG1-ND1 2.85Å; H580-L582 PolarHBondContact O-N 2.78Å; H580-G596 CarbonylContact O-C 3.4Å; H580-G596 VanDerWaalsContact O-CA 3.24Å; H580-G596 WeakPolarHBondContact O-CA 3.25Å; H580-H597 AromaticContact CE1-ND1 3.59Å; H580-H597 PolarHBondContact N-O 2.72Å; H580-H597 PolarHBondContact ND1-O 3.42Å; H580-H597 PolarHBondContact O-N 3.25Å
581	G	95.8	Very high	96.5	Very high	6 Å²	6	35.9 Å²	35.9	6%	0.062	22%	0.216	C	C	.	.	S	Bend	trans	67.8	21.7	-172.1	0	0	0	0	0	113.6	Q534 S627 T628	Q534-G581 PolarHBondContact O-N 3.32Å; G581-S627 CarbonylContact O-C 3.52Å; G581-S627 WeakPolarHBondContact O-CA 3.35Å; G581-T628 WeakPolarHBondContact O-CA 3.35Å; G581-T628 PolarHBondContact O-N 2.93Å
582	L	98.1	Very high	96.6	Very high	11 Å²	11	30.1 Å²	30.1	6%	0.058	18%	0.18	C	C	.	.			trans	-74.6	152.5	172.8	70.8	171.6	0	0	0	111.8	V547 M575 R579 H580 V584 A593 V594	V547-L582 HydrophobicContact CG1-CD1 3.9Å; M575-L582 HydrophobicContact CE-CD1 4.29Å; M575-L582 HydrophobicContact SD-CD1 4.26Å; R579-L582 HydrophobicContact CB-CB 4.24Å; R579-L582 HydrophobicContact CB-CD1 3.99Å; R579-L582 HydrophobicContact CB-CD2 4.43Å; R579-L582 HydrophobicContact CB-CG 4.45Å; H580-L582 PolarHBondContact O-N 2.78Å; L582-V584 HydrophobicContact CD1-CG2 3.68Å; L582-V584 HydrophobicContact CG-CG2 3.87Å; L582-A593 HydrophobicContact CD1-CB 4.04Å; L582-V594 WeakPolarHBondContact CA-O 3.33Å
583	G	97.8	Very high	96.8	Very high	7 Å²	7	28.8 Å²	28.8	7%	0.072	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	148.2	161.4	0	0	0	0	0	110.5	V594	G583-V594 PolarHBondContact N-O 2.9Å; G583-V594 VanDerWaalsContact N-O 3.1Å; G583-V594 PolarHBondContact O-N 2.89Å
584	V	98.1	Very high	96.9	Very high	17 Å²	17	26.7 Å²	26.7	10%	0.103	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	134.7	179.7	-173	0	0	0	0	110.3	A538 V547 L582 M591 Y592	A538-V584 HydrophobicContact CB-CG1 3.86Å; V547-V584 HydrophobicContact CB-CG2 4.11Å; V547-V584 HydrophobicContact CG1-CG2 4.31Å; V547-V584 HydrophobicContact CG2-CG1 4.19Å; L582-V584 HydrophobicContact CD1-CG2 3.68Å; L582-V584 HydrophobicContact CG-CG2 3.87Å; V584-M591 HydrophobicContact CG1-CG 3.76Å; V584-M591 HydrophobicContact CG1-SD 3.79Å; V584-Y592 VanDerWaalsContact CA-O 3.29Å; V584-Y592 WeakPolarHBondContact CA-O 3.3Å
585	A	97.4	Very high	96.9	Very high	13 Å²	13	23.5 Å²	23.5	11%	0.107	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	163.3	174.4	0	0	0	0	0	111.6	M591 Y592 V631 V633 L638	A585-M591 CarbonylContact O-C 3.41Å; A585-M591 WeakPolarHBondContact O-CA 3.45Å; A585-Y592 PolarHBondContact N-O 2.69Å; A585-Y592 PolarHBondContact O-N 2.8Å; A585-V631 HydrophobicContact CB-CG1 4.07Å; A585-V633 HydrophobicContact CB-CG2 4Å; A585-L638 HydrophobicContact CB-CD1 3.84Å
586	V	96.8	Very high	96.8	Very high	44 Å²	44	23.3 Å²	23.3	27%	0.267	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	127.4	171.2	166.7	0	0	0	0	109.2	A538 L540 P590 M591	A538-V586 HydrophobicContact CB-CG2 4.11Å; L540-V586 HydrophobicContact CB-CG2 4.33Å; L540-V586 HydrophobicContact CD1-CG1 4.3Å; L540-V586 HydrophobicContact CD1-CG2 4.39Å; V586-P590 WeakPolarHBondContact CA-O 3.37Å; V586-M591 HydrophobicContact CG2-CB 3.91Å; V586-M591 HydrophobicContact CG2-CG 3.97Å
587	L	95.9	Very high	96.8	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.01	12%	0.122	C	C	.	.	S	Bend	trans	-128.2	116.4	177.5	166.9	61.6	0	0	0	108.3	G589 P590 Y592 V633 L638 P658	L587-G589 PolarHBondContact O-N 3.05Å; L587-G589 VanDerWaalsContact O-N 3.1Å; L587-P590 PolarHBondContact N-O 3.23Å; L587-P590 WeakPolarHBondContact O-CD 3.46Å; L587-Y592 HydrophobicContact CB-CD2 4.02Å; L587-Y592 HydrophobicContact CB-CE2 3.72Å; L587-Y592 HydrophobicContact CD2-CE2 4.36Å; L587-Y592 HydrophobicContact CG-CE2 4.31Å; L587-V633 HydrophobicContact CB-CG1 4.41Å; L587-V633 HydrophobicContact CB-CG2 3.82Å; L587-V633 HydrophobicContact CD1-CG1 3.65Å; L587-V633 HydrophobicContact CD1-CG2 4.48Å; L587-L638 HydrophobicContact CD2-CB 3.97Å; L587-P658 HydrophobicContact CD2-CB 4.27Å; L587-P658 HydrophobicContact CD2-CG 3.86Å; L587-P658 HydrophobicContact CG-CG 4.43Å
588	E	90.8	Very high	96.7	Very high	122 Å²	122	22.2 Å²	22.2	57%	0.57	13%	0.125	S	C	*	.	S	Bend	trans	58.1	22.8	175.6	-67.1	165.4	174.3	0	0	114.5	P590 H659	E588-P590 VanDerWaalsContact O-CD 3.25Å; E588-P590 WeakPolarHBondContact O-CD 3.49Å; E588-H659 IonicContact OE1-CE1 3.94Å; E588-H659 IonicContact OE2-CE1 2.66Å
589	G	91.2	Very high	96.5	Very high	29 Å²	29	20.9 Å²	20.9	30%	0.299	13%	0.133	S	C	.	.	S	Bend	trans	114.5	-57.2	179	0	0	0	0	0	113	L540 L587	L540-G589 WeakPolarHBondContact CD1-O 3.37Å; L587-G589 PolarHBondContact O-N 3.05Å; L587-G589 VanDerWaalsContact O-N 3.1Å
590	P	95.2	Very high	96.2	Very high	27 Å²	27	32.1 Å²	32.1	18%	0.175	18%	0.176	C	C	.	.			trans	-58.6	148.5	172.5	-27.6	36.5	0	0	0	114	V586 L587 E588 Y592 R608 W609	V586-P590 WeakPolarHBondContact CA-O 3.37Å; L587-P590 PolarHBondContact N-O 3.23Å; L587-P590 WeakPolarHBondContact O-CD 3.46Å; E588-P590 VanDerWaalsContact O-CD 3.25Å; E588-P590 WeakPolarHBondContact O-CD 3.49Å; P590-Y592 HydrophobicContact CB-CE2 3.9Å; P590-R608 HydrophobicContact CB-CG 3.67Å; P590-W609 WeakPolarHBondContact CA-O 3.28Å; P590-W609 WeakPolarHBondContact CB-O 3.47Å
591	M	97.2	Very high	96.1	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	138.1	176.1	-171.3	-159.9	-46.7	0	0	109.8	A538 L540 Y545 V547 V584 A585 V586 R608 W609 W616	A538-M591 HydrophobicContact CB-CG 3.98Å; A538-M591 HydrophobicContact CB-SD 4.11Å; L540-M591 HydrophobicContact CD2-CE 4.33Å; Y545-M591 HydrophobicContact CD1-CE 3.75Å; Y545-M591 HydrophobicContact CD2-CE 4.03Å; Y545-M591 HydrophobicContact CE1-CE 4.45Å; Y545-M591 HydrophobicContact CG-CE 3.49Å; Y545-M591 VanDerWaalsContact CG-CE 3.49Å; V547-M591 HydrophobicContact CG2-SD 3.82Å; V584-M591 HydrophobicContact CG1-CG 3.76Å; V584-M591 HydrophobicContact CG1-SD 3.79Å; A585-M591 CarbonylContact O-C 3.41Å; A585-M591 WeakPolarHBondContact O-CA 3.45Å; V586-M591 HydrophobicContact CG2-CB 3.91Å; V586-M591 HydrophobicContact CG2-CG 3.97Å; M591-R608 CarbonylContact O-C 3.54Å; M591-R608 WeakPolarHBondContact O-CA 3.44Å; M591-W609 HydrophobicContact CB-CB 4.14Å; M591-W609 PolarHBondContact N-O 3.44Å; M591-W609 PolarHBondContact O-N 2.82Å; M591-W616 HydrophobicContact SD-CH2 4.26Å
592	Y	98.5	Very high	96.1	Very high	7 Å²	7	36.7 Å²	36.7	3%	0.027	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	126.4	-175	-66	-102.2	0	0	0	110.4	V584 A585 L587 P590 V606 E607 R608 V619 L638 F656	V584-Y592 VanDerWaalsContact CA-O 3.29Å; V584-Y592 WeakPolarHBondContact CA-O 3.3Å; A585-Y592 PolarHBondContact N-O 2.69Å; A585-Y592 PolarHBondContact O-N 2.8Å; L587-Y592 HydrophobicContact CB-CD2 4.02Å; L587-Y592 HydrophobicContact CB-CE2 3.72Å; L587-Y592 HydrophobicContact CD2-CE2 4.36Å; L587-Y592 HydrophobicContact CG-CE2 4.31Å; P590-Y592 HydrophobicContact CB-CE2 3.9Å; Y592-V606 HydrophobicContact CD1-CG1 4.43Å; Y592-E607 CarbonylContact C-O 3.53Å; Y592-E607 WeakPolarHBondContact CA-O 3.47Å; Y592-R608 HydrophobicContact CD1-CB 3.98Å; Y592-R608 HydrophobicContact CD1-CG 4.02Å; Y592-R608 HydrophobicContact CE1-CB 3.86Å; Y592-R608 HydrophobicContact CE1-CG 3.61Å; Y592-R608 HydrophobicContact CE2-CG 4.13Å; Y592-R608 HydrophobicContact CG-CG 4.46Å; Y592-R608 WeakPolarHBondContact OH-CD 3.39Å; Y592-V619 HydrophobicContact CD1-CG2 4.37Å; Y592-V619 HydrophobicContact CE1-CG1 4.35Å; Y592-V619 HydrophobicContact CE1-CG2 4.44Å; Y592-L638 HydrophobicContact CD1-CD2 4.17Å; Y592-L638 HydrophobicContact CG-CD2 3.92Å; Y592-F656 AromaticContact CE1-CE1 3.85Å; Y592-F656 HydrophobicContact CE1-CE1 3.85Å
593	A	98.6	Very high	96.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	109.4	172.4	0	0	0	0	0	109.3	V547 M575 L582 V606 E607 W616	V547-A593 HydrophobicContact CG1-CB 4.41Å; M575-A593 HydrophobicContact SD-CB 3.6Å; L582-A593 HydrophobicContact CD1-CB 4.04Å; A593-V606 WeakPolarHBondContact O-CA 3.48Å; A593-E607 PolarHBondContact N-O 2.82Å; A593-E607 PolarHBondContact O-N 2.94Å; A593-W616 HydrophobicContact CB-CH2 4.14Å; A593-W616 HydrophobicContact CB-CZ3 3.77Å
594	V	98.6	Very high	96.1	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	119.4	-167.4	-176.7	0	0	0	0	110.8	L582 G583 G596 V606 M622 V631 L638 A640 W663	L582-V594 WeakPolarHBondContact CA-O 3.33Å; G583-V594 PolarHBondContact N-O 2.9Å; G583-V594 VanDerWaalsContact N-O 3.1Å; G583-V594 PolarHBondContact O-N 2.89Å; V594-G596 PolarHBondContact O-N 3.32Å; V594-V606 HydrophobicContact CG1-CG2 4.13Å; V594-V606 HydrophobicContact CG2-CG1 4.01Å; V594-M622 HydrophobicContact CG1-CE 3.83Å; V594-M622 HydrophobicContact CG1-SD 3.63Å; V594-V631 HydrophobicContact CB-CG2 3.99Å; V594-V631 HydrophobicContact CG1-CG2 4.11Å; V594-V631 HydrophobicContact CG2-CG1 4.08Å; V594-V631 HydrophobicContact CG2-CG2 4.27Å; V594-L638 HydrophobicContact CG2-CD2 3.74Å; V594-A640 HydrophobicContact CG1-CB 4.3Å; V594-W663 HydrophobicContact CG1-CH2 4.29Å; V594-W663 HydrophobicContact CG1-CZ2 4.49Å
595	G	98.3	Very high	96.2	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.211	C	C	.	.			trans	60.3	-132.7	173	0	0	0	0	0	113.3	R579 L603 T605	R579-G595 PolarHBondContact NH1-O 3.42Å; G595-L603 VanDerWaalsContact CA-O 3.29Å; G595-L603 WeakPolarHBondContact CA-O 3.35Å; G595-T605 PolarHBondContact N-O 2.85Å
596	G	97.7	Very high	96.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.206	C	C	.	.			trans	93.9	-157.4	-171.3	0	0	0	0	0	112.9	H580 V594 L603 R626	H580-G596 CarbonylContact O-C 3.4Å; H580-G596 VanDerWaalsContact O-CA 3.24Å; H580-G596 WeakPolarHBondContact O-CA 3.25Å; V594-G596 PolarHBondContact O-N 3.32Å; G596-L603 PolarHBondContact O-N 2.98Å; G596-R626 PolarHBondContact N-O 3.21Å
597	H	96.6	Very high	96.3	Very high	30 Å²	30	36.3 Å²	36.3	14%	0.139	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-138.3	133.7	177.7	-170.8	-88.1	0	0	0	108.6	H580 G599 S601 Y602	H580-H597 AromaticContact CE1-ND1 3.59Å; H580-H597 PolarHBondContact N-O 2.72Å; H580-H597 PolarHBondContact ND1-O 3.42Å; H580-H597 PolarHBondContact O-N 3.25Å; H597-G599 VanDerWaalsContact CE1-C 3.42Å; H597-G599 PolarHBondContact ND1-N 3.1Å; H597-G599 VanDerWaalsContact ND1-N 3.11Å; H597-S601 VanDerWaalsContact CA-O 3.28Å; H597-S601 WeakPolarHBondContact CA-O 3.46Å; H597-S601 PolarHBondContact CD2-O 2.92Å; H597-Y602 AromaticContact CD2-CD2 3.5Å; H597-Y602 AromaticContact CD2-CE2 3.58Å; H597-Y602 AromaticContact CD2-CG 3.76Å; H597-Y602 AromaticContact CD2-CZ 3.94Å; H597-Y602 AromaticContact NE2-CD2 3.86Å; H597-Y602 AromaticContact NE2-CE2 3.7Å
598	D	96.1	Very high	96.4	Very high	45 Å²	45	39.9 Å²	39.9	24%	0.241	21%	0.207	C	C	.	.			trans	-83.7	-22.3	-176.8	56.7	23.3	0	0	0	113.6	T555 T577 H578 W600 S601 L603	T555-D598 WeakPolarHBondContact CB-O 3.49Å; T555-D598 WeakPolarHBondContact CG2-O 3.4Å; T555-D598 PolarHBondContact OG1-O 3.34Å; T577-D598 HydrophobicContact CG2-CB 4.27Å; H578-D598 WeakPolarHBondContact O-CA 3.42Å; H578-D598 WeakPolarHBondContact O-CB 3.35Å; D598-W600 WeakPolarHBondContact OD1-CA 3.29Å; D598-W600 WeakPolarHBondContact OD1-CB 3.46Å; D598-W600 PolarHBondContact OD1-N 2.99Å; D598-S601 PolarHBondContact N-O 3.02Å; D598-S601 VanDerWaalsContact N-O 3.14Å; D598-S601 PolarHBondContact OD1-N 3.37Å; D598-S601 PolarHBondContact OD2-OG 3.27Å; D598-L603 HydrophobicContact CB-CD1 4.22Å; D598-L603 HydrophobicContact CB-CD2 4.3Å
599	G	92.8	Very high	96.7	Very high	54 Å²	54	34.6 Å²	34.6	56%	0.557	18%	0.182	S	C	*	.	S	Bend	trans	127.6	-18.4	-171.8	0	0	0	0	0	112.6	H597	H597-G599 VanDerWaalsContact CE1-C 3.42Å; H597-G599 PolarHBondContact ND1-N 3.1Å; H597-G599 VanDerWaalsContact ND1-N 3.11Å
600	W	91.9	Very high	96.8	Very high	235 Å²	235	34.9 Å²	34.9	89%	0.89	18%	0.176	S	C	*	.	S	Bend	trans	-122.7	-38.6	179.1	175	-99.5	0	0	0	112.7	D598	D598-W600 WeakPolarHBondContact OD1-CA 3.29Å; D598-W600 WeakPolarHBondContact OD1-CB 3.46Å; D598-W600 PolarHBondContact OD1-N 2.99Å
601	S	94.9	Very high	96.6	Very high	41 Å²	41	35.8 Å²	35.8	29%	0.287	18%	0.183	S	C	.	.	S	Bend	trans	-137.6	152.4	-171.6	77.9	0	0	0	0	114	H597 D598	H597-S601 VanDerWaalsContact CA-O 3.28Å; H597-S601 WeakPolarHBondContact CA-O 3.46Å; H597-S601 PolarHBondContact CD2-O 2.92Å; D598-S601 PolarHBondContact N-O 3.02Å; D598-S601 VanDerWaalsContact N-O 3.14Å; D598-S601 PolarHBondContact OD1-N 3.37Å; D598-S601 PolarHBondContact OD2-OG 3.27Å
602	Y	96.6	Very high	96.2	Very high	86 Å²	86	44.6 Å²	44.6	34%	0.337	22%	0.224	S	C	.	.	B	Isolated β-bridge	trans	-80.5	131	169.6	-67.6	-106.6	0	0	0	108.8	H597 P625 S627 R644 G646	H597-Y602 AromaticContact CD2-CD2 3.5Å; H597-Y602 AromaticContact CD2-CE2 3.58Å; H597-Y602 AromaticContact CD2-CG 3.76Å; H597-Y602 AromaticContact CD2-CZ 3.94Å; H597-Y602 AromaticContact NE2-CD2 3.86Å; H597-Y602 AromaticContact NE2-CE2 3.7Å; Y602-P625 VanDerWaalsContact O-CB 3.25Å; Y602-P625 WeakPolarHBondContact O-CB 3.44Å; Y602-S627 VanDerWaalsContact CD1-OG 3.29Å; Y602-S627 WeakPolarHBondContact CD1-OG 3.41Å; Y602-S627 WeakPolarHBondContact CE1-OG 3.39Å; Y602-R644 VanDerWaalsContact CD1-O 3.31Å; Y602-R644 WeakPolarHBondContact CD1-O 3.48Å; Y602-R644 HydrophobicContact CE1-CB 4.34Å; Y602-G646 VanDerWaalsContact CE2-CA 3.44Å
603	L	98.1	Very high	95.9	Very high	12 Å²	12	46.8 Å²	46.8	6%	0.063	24%	0.243	C	C	.	.			trans	-99	133.7	-168.4	-59.2	173.6	0	0	0	111.8	T577 R579 G595 G596 D598 P625 R626	T577-L603 HydrophobicContact CG2-CD1 3.87Å; T577-L603 HydrophobicContact CG2-CD2 4.37Å; R579-L603 HydrophobicContact CG-CD1 3.81Å; G595-L603 VanDerWaalsContact CA-O 3.29Å; G595-L603 WeakPolarHBondContact CA-O 3.35Å; G596-L603 PolarHBondContact O-N 2.98Å; D598-L603 HydrophobicContact CB-CD1 4.22Å; D598-L603 HydrophobicContact CB-CD2 4.3Å; L603-P625 WeakPolarHBondContact O-CA 3.31Å; L603-R626 PolarHBondContact O-N 3.13Å
604	S	98.1	Very high	95.7	Very high	33 Å²	33	54.4 Å²	54.4	23%	0.231	27%	0.272	C	S	.	.			trans	-99.2	-12.2	162.4	63.7	0	0	0	0	113	S621 M622	S604-S621 CarbonylContact O-C 3.34Å; S604-S621 WeakPolarHBondContact O-CA 3.4Å; S604-S621 WeakPolarHBondContact O-CB 3.27Å; S604-M622 WeakPolarHBondContact CB-O 3.43Å; S604-M622 PolarHBondContact O-N 2.84Å
605	T	98.6	Very high	95.5	Very high	38 Å²	38	59.7 Å²	59.7	23%	0.233	30%	0.297	C	S	.	.			trans	-69	149.6	-179.1	62.1	0	0	0	0	111.6	R579 G595	R579-T605 PolarHBondContact NH1-O 3.47Å; R579-T605 PolarHBondContact NH1-OG1 3.09Å; R579-T605 PolarHBondContact NH2-OG1 2.8Å; G595-T605 PolarHBondContact N-O 2.85Å
606	V	98.7	Very high	95.5	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	131.5	-177.3	-177.1	0	0	0	0	108.9	Y592 A593 V594 V619 M622 W663	Y592-V606 HydrophobicContact CD1-CG1 4.43Å; A593-V606 WeakPolarHBondContact O-CA 3.48Å; V594-V606 HydrophobicContact CG1-CG2 4.13Å; V594-V606 HydrophobicContact CG2-CG1 4.01Å; V606-V619 HydrophobicContact CB-CG2 3.72Å; V606-V619 HydrophobicContact CG1-CG2 3.6Å; V606-V619 PolarHBondContact O-N 2.83Å; V606-M622 HydrophobicContact CG2-CG 4.37Å; V606-W663 HydrophobicContact CG2-CZ2 3.89Å
607	E	98.5	Very high	95.5	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	135	178.6	-71.8	175.7	-100.7	0	0	110.3	S576 T577 R579 Y592 A593 W616 S617 F618	S576-E607 WeakPolarHBondContact CA-OE2 3.3Å; S576-E607 WeakPolarHBondContact CB-OE2 3.3Å; S576-E607 PolarHBondContact N-OE2 3.06Å; S576-E607 PolarHBondContact OG-OE2 2.81Å; T577-E607 WeakPolarHBondContact CB-OE1 3.32Å; T577-E607 PolarHBondContact N-OE1 2.82Å; T577-E607 PolarHBondContact OG1-OE1 3.03Å; R579-E607 IonicContact CZ-OE1 2.89Å; R579-E607 VanDerWaalsContact CZ-OE1 3.27Å; R579-E607 IonicContact NE-OE1 3.42Å; R579-E607 PolarHBondContact NE-OE1 3.29Å; R579-E607 IonicContact NH2-OE1 2.67Å; R579-E607 PolarHBondContact NH2-OE1 2.87Å; Y592-E607 CarbonylContact C-O 3.53Å; Y592-E607 WeakPolarHBondContact CA-O 3.47Å; A593-E607 PolarHBondContact N-O 2.82Å; A593-E607 PolarHBondContact O-N 2.94Å; E607-W616 HydrophobicContact CB-CE3 3.81Å; E607-W616 HydrophobicContact CB-CZ3 4.37Å; E607-S617 CarbonylContact C-O 3.58Å; E607-S617 WeakPolarHBondContact CA-O 3.42Å; E607-F618 HydrophobicContact CG-CD1 3.61Å; E607-F618 HydrophobicContact CG-CE1 3.43Å; E607-F618 VanDerWaalsContact CG-CE1 3.43Å; E607-F618 HydrophobicContact CG-CG 4.29Å; E607-F618 HydrophobicContact CG-CZ 3.97Å
608	R	97.9	Very high	95.6	Very high	78 Å²	78	66.5 Å²	66.5	29%	0.294	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	120.9	176.6	-174.4	-170.4	79.1	170.6	11.7	109.9	P590 M591 Y592 D610 W616 S617 V619	P590-R608 HydrophobicContact CB-CG 3.67Å; M591-R608 CarbonylContact O-C 3.54Å; M591-R608 WeakPolarHBondContact O-CA 3.44Å; Y592-R608 HydrophobicContact CD1-CB 3.98Å; Y592-R608 HydrophobicContact CD1-CG 4.02Å; Y592-R608 HydrophobicContact CE1-CB 3.86Å; Y592-R608 HydrophobicContact CE1-CG 3.61Å; Y592-R608 HydrophobicContact CE2-CG 4.13Å; Y592-R608 HydrophobicContact CG-CG 4.46Å; Y592-R608 WeakPolarHBondContact OH-CD 3.39Å; R608-D610 IonicContact NH2-OD2 2.79Å; R608-W616 CarbonylContact O-C 3.52Å; R608-W616 WeakPolarHBondContact O-CA 3.42Å; R608-S617 PolarHBondContact N-O 3.43Å; R608-S617 PolarHBondContact O-N 2.8Å; R608-S617 PolarHBondContact O-OG 3.47Å; R608-V619 HydrophobicContact CB-CG1 3.78Å
609	W	97.5	Very high	95.7	Very high	10 Å²	10	65.3 Å²	65.3	4%	0.038	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	122	167	170.3	-106.6	0	0	0	110.2	M572 P573 P590 M591 R614 W616	M572-W609 HydrophobicContact CE-CH2 4.19Å; M572-W609 HydrophobicContact CE-CZ2 3.79Å; P573-W609 HydrophobicContact CB-CH2 4.24Å; P573-W609 HydrophobicContact CB-CZ3 3.9Å; P573-W609 HydrophobicContact CG-CH2 3.75Å; P573-W609 HydrophobicContact CG-CZ3 3.94Å; P590-W609 WeakPolarHBondContact CA-O 3.28Å; P590-W609 WeakPolarHBondContact CB-O 3.47Å; M591-W609 HydrophobicContact CB-CB 4.14Å; M591-W609 PolarHBondContact N-O 3.44Å; M591-W609 PolarHBondContact O-N 2.82Å; W609-R614 HydrophobicContact CH2-CB 3.85Å; W609-R614 HydrophobicContact CH2-CG 4.46Å; W609-R614 WeakPolarHBondContact CH2-O 3.43Å; W609-R614 HydrophobicContact CZ2-CB 4.31Å; W609-R614 HydrophobicContact CZ2-CG 4.47Å; W609-R614 VanDerWaalsContact CZ3-O 3.25Å; W609-R614 WeakPolarHBondContact CZ3-O 3.28Å; W609-W616 HydrophobicContact CB-CD2 3.86Å; W609-W616 HydrophobicContact CB-CE3 3.72Å; W609-W616 HydrophobicContact CB-CH2 3.69Å; W609-W616 HydrophobicContact CB-CZ2 3.81Å; W609-W616 HydrophobicContact CB-CZ3 3.64Å; W609-W616 AromaticContact CE3-CD1 3.65Å; W609-W616 HydrophobicContact CE3-CD2 4.19Å; W609-W616 AromaticContact CE3-CE2 3.89Å; W609-W616 HydrophobicContact CE3-CG 4.06Å; W609-W616 AromaticContact CE3-NE1 3.52Å; W609-W616 HydrophobicContact CG-CZ2 4.37Å; W609-W616 VanDerWaalsContact N-CE3 3.32Å
610	D	93.1	Very high	96	Very high	35 Å²	35	64 Å²	64	19%	0.187	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	113.6	169.6	-170.3	-47.4	0	0	0	109.2	R608 Q612 A613 R614 Q615	R608-D610 IonicContact NH2-OD2 2.79Å; D610-Q612 VanDerWaalsContact C-N 3.31Å; D610-Q612 PolarHBondContact O-N 2.94Å; D610-Q612 PolarHBondContact OD1-N 2.84Å; D610-A613 HydrophobicContact CB-CB 4.09Å; D610-A613 PolarHBondContact OD1-N 2.95Å; D610-R614 WeakPolarHBondContact O-CA 3.32Å; D610-R614 PolarHBondContact O-N 3.1Å; D610-Q615 PolarHBondContact N-O 2.82Å; D610-Q615 PolarHBondContact O-N 3.33Å
611	P	90.2	Very high	96.3	Very high	47 Å²	47	55.7 Å²	55.7	31%	0.305	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-22.1	-178	28.6	-34.1	0	0	0	113.6	L540	L540-P611 HydrophobicContact CD2-CB 4.25Å
612	Q	89.4	Confident	96.5	Very high	186 Å²	186	54.1 Å²	54.1	87%	0.869	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-50.2	178.2	-63	-173.2	0.9	0	0	110.8	D610 R614	D610-Q612 VanDerWaalsContact C-N 3.31Å; D610-Q612 PolarHBondContact O-N 2.94Å; D610-Q612 PolarHBondContact OD1-N 2.84Å; Q612-R614 PolarHBondContact O-N 2.8Å
613	A	92	Very high	96.5	Very high	53 Å²	53	54.4 Å²	54.4	44%	0.438	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-10.4	176.8	0	0	0	0	0	113.3	D610 Q615	D610-A613 HydrophobicContact CB-CB 4.09Å; D610-A613 PolarHBondContact OD1-N 2.95Å; A613-Q615 VanDerWaalsContact C-N 3.29Å; A613-Q615 HydrophobicContact CB-CG 3.89Å; A613-Q615 PolarHBondContact O-N 3.17Å
614	R	93.4	Very high	96.4	Very high	159 Å²	159	55.4 Å²	55.4	60%	0.6	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	39.3	178.4	-63.5	-177.9	60.4	164.1	-0.2	114	W609 D610 Q612	W609-R614 HydrophobicContact CH2-CB 3.85Å; W609-R614 HydrophobicContact CH2-CG 4.46Å; W609-R614 WeakPolarHBondContact CH2-O 3.43Å; W609-R614 HydrophobicContact CZ2-CB 4.31Å; W609-R614 HydrophobicContact CZ2-CG 4.47Å; W609-R614 VanDerWaalsContact CZ3-O 3.25Å; W609-R614 WeakPolarHBondContact CZ3-O 3.28Å; D610-R614 WeakPolarHBondContact O-CA 3.32Å; D610-R614 PolarHBondContact O-N 3.1Å; Q612-R614 PolarHBondContact O-N 2.8Å
615	Q	95.9	Very high	96.4	Very high	111 Å²	111	55.8 Å²	55.8	52%	0.519	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	151.5	-177.5	63.3	-177.4	-8.5	0	0	112.3	D610 A613	D610-Q615 PolarHBondContact N-O 2.82Å; D610-Q615 PolarHBondContact O-N 3.33Å; A613-Q615 VanDerWaalsContact C-N 3.29Å; A613-Q615 HydrophobicContact CB-CG 3.89Å; A613-Q615 PolarHBondContact O-N 3.17Å
616	W	98.1	Very high	96.4	Very high	26 Å²	26	54 Å²	54	10%	0.098	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	146	165	-68.7	93.3	0	0	0	110.1	V547 V559 P573 M575 M591 A593 E607 R608 W609	V547-W616 HydrophobicContact CG1-CH2 4.2Å; V547-W616 HydrophobicContact CG1-CZ2 4.38Å; V559-W616 HydrophobicContact CG2-CZ2 3.9Å; P573-W616 PolarHBondContact O-NE1 2.8Å; M575-W616 HydrophobicContact CG-CD2 3.84Å; M575-W616 HydrophobicContact CG-CE3 4.14Å; M575-W616 HydrophobicContact CG-CG 4.36Å; M575-W616 HydrophobicContact CG-CH2 4.2Å; M575-W616 HydrophobicContact CG-CZ2 3.9Å; M575-W616 HydrophobicContact CG-CZ3 4.31Å; M575-W616 HydrophobicContact SD-CH2 4.48Å; M591-W616 HydrophobicContact SD-CH2 4.26Å; A593-W616 HydrophobicContact CB-CH2 4.14Å; A593-W616 HydrophobicContact CB-CZ3 3.77Å; E607-W616 HydrophobicContact CB-CE3 3.81Å; E607-W616 HydrophobicContact CB-CZ3 4.37Å; R608-W616 CarbonylContact O-C 3.52Å; R608-W616 WeakPolarHBondContact O-CA 3.42Å; W609-W616 HydrophobicContact CB-CD2 3.86Å; W609-W616 HydrophobicContact CB-CE3 3.72Å; W609-W616 HydrophobicContact CB-CH2 3.69Å; W609-W616 HydrophobicContact CB-CZ2 3.81Å; W609-W616 HydrophobicContact CB-CZ3 3.64Å; W609-W616 AromaticContact CE3-CD1 3.65Å; W609-W616 HydrophobicContact CE3-CD2 4.19Å; W609-W616 AromaticContact CE3-CE2 3.89Å; W609-W616 HydrophobicContact CE3-CG 4.06Å; W609-W616 AromaticContact CE3-NE1 3.52Å; W609-W616 HydrophobicContact CG-CZ2 4.37Å; W609-W616 VanDerWaalsContact N-CE3 3.32Å
617	S	97.7	Very high	96.2	Very high	36 Å²	36	54.6 Å²	54.6	25%	0.252	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	142.3	-177.4	53.6	0	0	0	0	110.1	E607 R608	E607-S617 CarbonylContact C-O 3.58Å; E607-S617 WeakPolarHBondContact CA-O 3.42Å; R608-S617 PolarHBondContact N-O 3.43Å; R608-S617 PolarHBondContact O-N 2.8Å; R608-S617 PolarHBondContact O-OG 3.47Å
618	F	98.4	Very high	96	Very high	112 Å²	112	56.2 Å²	56.2	49%	0.491	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	136.8	176.1	-72.1	-79.4	0	0	0	111.3	E607	E607-F618 HydrophobicContact CG-CD1 3.61Å; E607-F618 HydrophobicContact CG-CE1 3.43Å; E607-F618 VanDerWaalsContact CG-CE1 3.43Å; E607-F618 HydrophobicContact CG-CG 4.29Å; E607-F618 HydrophobicContact CG-CZ 3.97Å
619	V	98.3	Very high	96	Very high	20 Å²	20	53 Å²	53	12%	0.121	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	-178.3	165.3	-61.5	0	0	0	0	109.1	Y592 V606 R608 S621 F656	Y592-V619 HydrophobicContact CD1-CG2 4.37Å; Y592-V619 HydrophobicContact CE1-CG1 4.35Å; Y592-V619 HydrophobicContact CE1-CG2 4.44Å; V606-V619 HydrophobicContact CB-CG2 3.72Å; V606-V619 HydrophobicContact CG1-CG2 3.6Å; V606-V619 PolarHBondContact O-N 2.83Å; R608-V619 HydrophobicContact CB-CG1 3.78Å; V619-S621 PolarHBondContact O-N 2.97Å; V619-F656 HydrophobicContact CB-CE2 4.37Å; V619-F656 HydrophobicContact CB-CZ 4.02Å; V619-F656 HydrophobicContact CG1-CZ 4.49Å; V619-F656 HydrophobicContact CG2-CE2 4.33Å; V619-F656 HydrophobicContact CG2-CZ 4.08Å
620	A	98.4	Very high	96	Very high	27 Å²	27	52.8 Å²	52.8	22%	0.223	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-56.7	136	178.5	0	0	0	0	0	112	F656 N661 W663	A620-F656 HydrophobicContact CB-CE2 4.33Å; A620-N661 WeakPolarHBondContact CB-O 3.34Å; A620-N661 PolarHBondContact N-OD1 3.25Å; A620-W663 VanDerWaalsContact O-CD1 3.32Å; A620-W663 PolarHBondContact O-NE1 2.67Å
621	S	98.5	Very high	96.2	Very high	59 Å²	59	52 Å²	52	41%	0.413	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-71.8	151.3	173.6	-58.6	0	0	0	0	111.7	S604 V619 W663	S604-S621 CarbonylContact O-C 3.34Å; S604-S621 WeakPolarHBondContact O-CA 3.4Å; S604-S621 WeakPolarHBondContact O-CB 3.27Å; V619-S621 PolarHBondContact O-N 2.97Å; S621-W663 VanDerWaalsContact C-CD1 3.41Å
622	M	98.5	Very high	96.6	Very high	8 Å²	8	50.2 Å²	50.2	4%	0.039	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-62	157.5	165.5	-64.2	177.2	-62.7	0	0	110.8	V594 S604 V606 T624 R626 A640 E654 W663	V594-M622 HydrophobicContact CG1-CE 3.83Å; V594-M622 HydrophobicContact CG1-SD 3.63Å; S604-M622 WeakPolarHBondContact CB-O 3.43Å; S604-M622 PolarHBondContact O-N 2.84Å; V606-M622 HydrophobicContact CG2-CG 4.37Å; M622-T624 WeakPolarHBondContact CB-O 3.44Å; M622-R626 HydrophobicContact CE-CB 4.12Å; M622-R626 HydrophobicContact CE-CG 4.07Å; M622-R626 HydrophobicContact SD-CG 4.31Å; M622-A640 HydrophobicContact SD-CB 3.61Å; M622-E654 WeakPolarHBondContact CA-OE2 3.36Å; M622-E654 WeakPolarHBondContact CB-OE2 3.42Å; M622-W663 HydrophobicContact CG-CD2 3.74Å; M622-W663 HydrophobicContact CG-CE3 4.08Å; M622-W663 HydrophobicContact CG-CG 4.33Å; M622-W663 HydrophobicContact CG-CH2 4.08Å; M622-W663 HydrophobicContact CG-CZ2 3.74Å; M622-W663 HydrophobicContact CG-CZ3 4.23Å; M622-W663 HydrophobicContact SD-CH2 4.28Å; M622-W663 HydrophobicContact SD-CZ2 4.39Å
623	A	97.6	Very high	96.9	Very high	93 Å²	93	43.3 Å²	43.3	77%	0.769	25%	0.252	S	S	*	.	S	Bend	trans	-72.3	-33.6	170.9	0	0	0	0	0	111.7	E654	A623-E654 PolarHBondContact N-OE2 2.89Å
624	T	96.6	Very high	97.1	Very high	33 Å²	33	41.2 Å²	41.2	20%	0.202	23%	0.233	C	C	.	.	S	Bend	trans	-104.3	136.7	176.4	-31.3	0	0	0	0	110.6	M622 R626 D645 L650 E654	M622-T624 WeakPolarHBondContact CB-O 3.44Å; T624-R626 PolarHBondContact OG1-NH2 2.78Å; T624-D645 HydrophobicContact CG2-CB 4.47Å; T624-L650 HydrophobicContact CG2-CD1 3.79Å; T624-L650 HydrophobicContact CG2-CD2 4.22Å; T624-E654 VanDerWaalsContact CB-OE1 3.24Å; T624-E654 WeakPolarHBondContact CB-OE1 3.34Å; T624-E654 PolarHBondContact N-OE1 2.99Å; T624-E654 PolarHBondContact OG1-OE1 3.01Å
625	P	97.4	Very high	97.1	Very high	41 Å²	41	38.6 Å²	38.6	27%	0.266	23%	0.231	S	C	.	.			trans	-72.3	139.2	165.1	30.8	-33.8	0	0	0	110.7	Y602 L603 D645	Y602-P625 VanDerWaalsContact O-CB 3.25Å; Y602-P625 WeakPolarHBondContact O-CB 3.44Å; L603-P625 WeakPolarHBondContact O-CA 3.31Å; P625-D645 HydrophobicContact CG-CB 4.49Å
626	R	97.4	Very high	97	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	22%	0.218	C	C	.	.			trans	-144.2	117.7	-172	-50.6	-179.1	176.4	-104.1	-1.5	112.5	G596 L603 M622 T624 V629 G642 R644 L650 S652 E654	G596-R626 PolarHBondContact N-O 3.21Å; L603-R626 PolarHBondContact O-N 3.13Å; M622-R626 HydrophobicContact CE-CB 4.12Å; M622-R626 HydrophobicContact CE-CG 4.07Å; M622-R626 HydrophobicContact SD-CG 4.31Å; T624-R626 PolarHBondContact OG1-NH2 2.78Å; R626-V629 HydrophobicContact CB-CB 3.85Å; R626-V629 HydrophobicContact CB-CG1 4.33Å; R626-V629 HydrophobicContact CB-CG2 4.01Å; R626-G642 PolarHBondContact NH1-O 3.41Å; R626-R644 WeakPolarHBondContact CA-O 3.14Å; R626-L650 HydrophobicContact CG-CD1 3.83Å; R626-S652 PolarHBondContact NH1-O 2.81Å; R626-S652 PolarHBondContact NH2-O 3.44Å; R626-S652 PolarHBondContact NH2-OG 2.82Å; R626-E654 IonicContact CZ-OE1 2.73Å; R626-E654 IonicContact NE-OE1 3.59Å; R626-E654 PolarHBondContact NE-OE1 2.93Å; R626-E654 IonicContact NH2-OE1 3.76Å; R626-E654 PolarHBondContact NH2-OE1 2.8Å
627	S	96	Very high	97	Very high	12 Å²	12	36.2 Å²	36.2	8%	0.084	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-109.8	162.9	161.3	77.9	0	0	0	0	111.3	G581 Y602 V629 G643 R644	G581-S627 CarbonylContact O-C 3.52Å; G581-S627 WeakPolarHBondContact O-CA 3.35Å; Y602-S627 VanDerWaalsContact CD1-OG 3.29Å; Y602-S627 WeakPolarHBondContact CD1-OG 3.41Å; Y602-S627 WeakPolarHBondContact CE1-OG 3.39Å; S627-V629 PolarHBondContact O-N 2.74Å; S627-V629 VanDerWaalsContact O-N 3.16Å; S627-G643 CarbonylContact O-C 3.55Å; S627-G643 WeakPolarHBondContact O-CA 3.44Å; S627-R644 PolarHBondContact N-O 2.84Å; S627-R644 PolarHBondContact O-N 2.8Å
628	T	94.7	Very high	97	Very high	35 Å²	35	34.5 Å²	34.5	22%	0.215	21%	0.214	C	C	.	.	S	Bend	trans	46.6	36.9	-166.7	67.6	0	0	0	0	113.7	G581 G643 G675	G581-T628 WeakPolarHBondContact O-CA 3.35Å; G581-T628 PolarHBondContact O-N 2.93Å; T628-G643 WeakPolarHBondContact O-CA 3.35Å; T628-G675 PolarHBondContact O-N 3Å; T628-G675 VanDerWaalsContact O-N 3.15Å; T628-G675 PolarHBondContact OG1-N 3.4Å
629	V	96.8	Very high	97	Very high	10 Å²	10	29.8 Å²	29.8	6%	0.061	19%	0.194	C	C	.	.			trans	-80.8	132.1	-177.6	61	0	0	0	0	111.1	R626 S627 V631 A640	R626-V629 HydrophobicContact CB-CB 3.85Å; R626-V629 HydrophobicContact CB-CG1 4.33Å; R626-V629 HydrophobicContact CB-CG2 4.01Å; S627-V629 PolarHBondContact O-N 2.74Å; S627-V629 VanDerWaalsContact O-N 3.16Å; V629-V631 HydrophobicContact CG1-CG2 4.13Å; V629-V631 HydrophobicContact CG2-CG2 4.14Å; V629-A640 HydrophobicContact CG2-CB 4.14Å
630	G	97.2	Very high	97	Very high	5 Å²	5	28.9 Å²	28.9	5%	0.052	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	133.1	171.4	0	0	0	0	0	110.1	V641	G630-V641 PolarHBondContact N-O 2.85Å; G630-V641 PolarHBondContact O-N 3.24Å
631	V	98	Very high	97	Very high	20 Å²	20	27.6 Å²	27.6	12%	0.121	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	130.7	-174.4	173.8	0	0	0	0	110.5	A585 V594 V629 L638 Y639	A585-V631 HydrophobicContact CB-CG1 4.07Å; V594-V631 HydrophobicContact CB-CG2 3.99Å; V594-V631 HydrophobicContact CG1-CG2 4.11Å; V594-V631 HydrophobicContact CG2-CG1 4.08Å; V594-V631 HydrophobicContact CG2-CG2 4.27Å; V629-V631 HydrophobicContact CG1-CG2 4.13Å; V629-V631 HydrophobicContact CG2-CG2 4.14Å; V631-L638 HydrophobicContact CG1-CD1 3.48Å; V631-L638 VanDerWaalsContact CG1-CD1 3.48Å; V631-L638 HydrophobicContact CG1-CG 4.15Å; V631-Y639 VanDerWaalsContact CA-O 3.32Å; V631-Y639 WeakPolarHBondContact CA-O 3.21Å
632	A	97.7	Very high	96.9	Very high	9 Å²	9	24.8 Å²	24.8	7%	0.074	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	165.7	176.1	0	0	0	0	0	111.4	Y639 V678 T680 L685	A632-Y639 PolarHBondContact N-O 3.03Å; A632-Y639 PolarHBondContact O-N 2.89Å; A632-V678 HydrophobicContact CB-CG1 3.75Å; A632-T680 HydrophobicContact CB-CG2 4.07Å; A632-L685 HydrophobicContact CB-CD1 3.89Å
633	V	97.4	Very high	96.7	Very high	41 Å²	41	24.4 Å²	24.4	25%	0.248	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	126.8	-178.8	168.1	0	0	0	0	110.2	A585 L587 K637 L638	A585-V633 HydrophobicContact CB-CG2 4Å; L587-V633 HydrophobicContact CB-CG1 4.41Å; L587-V633 HydrophobicContact CB-CG2 3.82Å; L587-V633 HydrophobicContact CD1-CG1 3.65Å; L587-V633 HydrophobicContact CD1-CG2 4.48Å; V633-K637 WeakPolarHBondContact CA-O 3.45Å; V633-L638 HydrophobicContact CG2-CD1 3.63Å
634	L	95.9	Very high	96.5	Very high	9 Å²	9	22.3 Å²	22.3	5%	0.047	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	129.3	-179.3	-178.7	57.2	0	0	0	110.1	G636 K637 Y639 T680 L685 P711	L634-G636 VanDerWaalsContact C-N 3.31Å; L634-G636 PolarHBondContact O-N 2.91Å; L634-K637 PolarHBondContact N-O 2.89Å; L634-K637 PolarHBondContact O-N 2.83Å; L634-Y639 HydrophobicContact CB-CD2 3.95Å; L634-Y639 HydrophobicContact CB-CE2 3.72Å; L634-Y639 HydrophobicContact CG-CE2 4.4Å; L634-T680 HydrophobicContact CB-CG2 3.91Å; L634-T680 HydrophobicContact CD1-CG2 4.25Å; L634-T680 HydrophobicContact CD2-CG2 4.47Å; L634-T680 HydrophobicContact CG-CG2 4.45Å; L634-L685 HydrophobicContact CD2-CB 3.84Å; L634-P711 HydrophobicContact CD2-CG 3.93Å; L634-P711 HydrophobicContact CG-CG 4.5Å
635	N	92.1	Very high	96.3	Very high	104 Å²	104	22.9 Å²	22.9	56%	0.556	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.8	43.5	173.8	-55.9	-20.3	0	0	0	114.2	K637	N635-K637 VanDerWaalsContact C-N 3.33Å; N635-K637 PolarHBondContact O-N 3.13Å
636	G	94.3	Very high	95.7	Very high	24 Å²	24	22.5 Å²	22.5	25%	0.247	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.1	15.9	-179.8	0	0	0	0	0	114.8	L634 P658	L634-G636 VanDerWaalsContact C-N 3.31Å; L634-G636 PolarHBondContact O-N 2.91Å; G636-P658 WeakPolarHBondContact O-CD 3.38Å
637	K	97.5	Very high	95.1	Very high	63 Å²	63	25.9 Å²	25.9	27%	0.274	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	152.5	-179.9	-56.5	-169.6	-164.9	-57.3	0	111.7	V633 L634 N635 Y639 C655 F656 D657	V633-K637 WeakPolarHBondContact CA-O 3.45Å; L634-K637 PolarHBondContact N-O 2.89Å; L634-K637 PolarHBondContact O-N 2.83Å; N635-K637 VanDerWaalsContact C-N 3.33Å; N635-K637 PolarHBondContact O-N 3.13Å; K637-Y639 HydrophobicContact CB-CE2 4.01Å; K637-C655 VanDerWaalsContact CB-SG 3.54Å; K637-F656 WeakPolarHBondContact CA-O 3.42Å; K637-F656 WeakPolarHBondContact CB-O 3.41Å; K637-D657 HydrophobicContact CD-CB 4.45Å; K637-D657 IonicContact NZ-OD1 3.85Å; K637-D657 IonicContact NZ-OD2 2.72Å; K637-D657 PolarHBondContact NZ-OD2 3.17Å
638	L	98.3	Very high	94.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	124.2	-178.6	-178.6	71	0	0	0	109.5	A585 L587 Y592 V594 V631 V633 C655 F656 W663	A585-L638 HydrophobicContact CB-CD1 3.84Å; L587-L638 HydrophobicContact CD2-CB 3.97Å; Y592-L638 HydrophobicContact CD1-CD2 4.17Å; Y592-L638 HydrophobicContact CG-CD2 3.92Å; V594-L638 HydrophobicContact CG2-CD2 3.74Å; V631-L638 HydrophobicContact CG1-CD1 3.48Å; V631-L638 VanDerWaalsContact CG1-CD1 3.48Å; V631-L638 HydrophobicContact CG1-CG 4.15Å; V633-L638 HydrophobicContact CG2-CD1 3.63Å; L638-C655 CarbonylContact O-C 3.45Å; L638-C655 WeakPolarHBondContact O-CA 3.4Å; L638-F656 HydrophobicContact CB-CB 4.21Å; L638-F656 HydrophobicContact CB-CD1 4.38Å; L638-F656 PolarHBondContact N-O 3.23Å; L638-F656 VanDerWaalsContact N-O 3.09Å; L638-F656 PolarHBondContact O-N 3.38Å; L638-W663 HydrophobicContact CD2-CH2 4.32Å; L638-W663 HydrophobicContact CG-CH2 4.46Å
639	Y	98.6	Very high	94.6	Very high	13 Å²	13	25 Å²	25	5%	0.051	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	130.4	-177.9	-73	-103.7	0	0	0	110.6	V631 A632 L634 K637 V653 E654 C655 L685 Y709	V631-Y639 VanDerWaalsContact CA-O 3.32Å; V631-Y639 WeakPolarHBondContact CA-O 3.21Å; A632-Y639 PolarHBondContact N-O 3.03Å; A632-Y639 PolarHBondContact O-N 2.89Å; L634-Y639 HydrophobicContact CB-CD2 3.95Å; L634-Y639 HydrophobicContact CB-CE2 3.72Å; L634-Y639 HydrophobicContact CG-CE2 4.4Å; K637-Y639 HydrophobicContact CB-CE2 4.01Å; Y639-V653 HydrophobicContact CD1-CG1 4.26Å; Y639-E654 WeakPolarHBondContact CA-O 3.24Å; Y639-C655 HydrophobicContact CD1-CB 3.97Å; Y639-C655 HydrophobicContact CE1-CB 3.78Å; Y639-C655 VanDerWaalsContact CE2-SG 3.58Å; Y639-L685 HydrophobicContact CD1-CD2 3.9Å; Y639-L685 HydrophobicContact CG-CD2 3.97Å; Y639-Y709 HydrophobicContact CD1-CE1 4.46Å; Y639-Y709 HydrophobicContact CE1-CD1 4.47Å; Y639-Y709 AromaticContact CE1-CE1 3.68Å; Y639-Y709 HydrophobicContact CE1-CE1 3.68Å
640	A	98.5	Very high	94.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	111.3	173	0	0	0	0	0	109.5	V594 M622 V629 V653 E654 W663	V594-A640 HydrophobicContact CG1-CB 4.3Å; M622-A640 HydrophobicContact SD-CB 3.61Å; V629-A640 HydrophobicContact CG2-CB 4.14Å; A640-V653 WeakPolarHBondContact O-CA 3.44Å; A640-E654 PolarHBondContact N-O 2.81Å; A640-E654 PolarHBondContact O-N 3.12Å; A640-W663 HydrophobicContact CB-CH2 3.93Å; A640-W663 HydrophobicContact CB-CZ3 3.69Å
641	V	98.3	Very high	94.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	124.8	-168.2	-177.6	0	0	0	0	110.1	G630 G643 V653 M669 V676 V678 L685 A687 W716	G630-V641 PolarHBondContact N-O 2.85Å; G630-V641 PolarHBondContact O-N 3.24Å; V641-G643 PolarHBondContact O-N 2.96Å; V641-V653 HydrophobicContact CG1-CG2 4.33Å; V641-V653 HydrophobicContact CG2-CG1 4.17Å; V641-M669 HydrophobicContact CG1-CE 3.78Å; V641-M669 HydrophobicContact CG1-SD 3.52Å; V641-M669 VanDerWaalsContact CG1-SD 3.52Å; V641-V676 HydrophobicContact CG1-CG1 4.44Å; V641-V676 WeakPolarHBondContact O-CG1 3.41Å; V641-V678 HydrophobicContact CB-CG2 3.99Å; V641-V678 HydrophobicContact CG1-CG2 4.17Å; V641-V678 HydrophobicContact CG2-CG1 4.15Å; V641-V678 HydrophobicContact CG2-CG2 4.32Å; V641-L685 HydrophobicContact CG2-CD2 3.85Å; V641-A687 HydrophobicContact CG1-CB 4.3Å; V641-W716 HydrophobicContact CG1-CH2 4.39Å
642	G	96.6	Very high	94.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.179	C	C	.	.			trans	58.9	-134.3	174.2	0	0	0	0	0	113.2	R626 L650 S652	R626-G642 PolarHBondContact NH1-O 3.41Å; G642-L650 WeakPolarHBondContact CA-O 3.45Å; G642-S652 PolarHBondContact N-O 3.06Å
643	G	94.9	Very high	94.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.175	C	C	.	.			trans	88.9	-159.6	-171.6	0	0	0	0	0	112.7	S627 T628 V641 C649 L650 R673	S627-G643 CarbonylContact O-C 3.55Å; S627-G643 WeakPolarHBondContact O-CA 3.44Å; T628-G643 WeakPolarHBondContact O-CA 3.35Å; V641-G643 PolarHBondContact O-N 2.96Å; G643-C649 CarbonylContact O-C 3.57Å; G643-C649 WeakPolarHBondContact O-CA 3.47Å; G643-L650 PolarHBondContact O-N 2.96Å; G643-R673 PolarHBondContact N-O 2.91Å
644	R	92.9	Very high	94.5	Very high	49 Å²	49	29.7 Å²	29.7	19%	0.185	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-134.6	141.3	179.6	-59.5	-176	68.1	124.1	2.8	110.6	Y602 R626 S627 S648 H691 A693	Y602-R644 VanDerWaalsContact CD1-O 3.31Å; Y602-R644 WeakPolarHBondContact CD1-O 3.48Å; Y602-R644 HydrophobicContact CE1-CB 4.34Å; R626-R644 WeakPolarHBondContact CA-O 3.14Å; S627-R644 PolarHBondContact N-O 2.84Å; S627-R644 PolarHBondContact O-N 2.8Å; R644-S648 VanDerWaalsContact CA-O 3.29Å; R644-S648 WeakPolarHBondContact CA-O 3.48Å; R644-H691 PolarHBondContact NH1-NE2 3.25Å; R644-A693 PolarHBondContact NH1-O 3.17Å; R644-A693 PolarHBondContact NH2-O 2.89Å
645	D	91.4	Very high	94.6	Very high	46 Å²	46	29.4 Å²	29.4	25%	0.246	16%	0.164	C	C	.	.			trans	-100.7	-1	179.3	63.4	4.1	0	0	0	113.7	T624 P625 S647 S648 L650	T624-D645 HydrophobicContact CG2-CB 4.47Å; P625-D645 HydrophobicContact CG-CB 4.49Å; D645-S647 VanDerWaalsContact CG-OG 3.29Å; D645-S647 WeakPolarHBondContact OD1-CA 3.47Å; D645-S647 WeakPolarHBondContact OD1-CB 3.21Å; D645-S647 PolarHBondContact OD1-N 3.2Å; D645-S647 PolarHBondContact OD1-OG 3.49Å; D645-S647 PolarHBondContact OD2-OG 3.45Å; D645-S647 VanDerWaalsContact OD2-OG 3.11Å; D645-S648 PolarHBondContact N-O 2.75Å; D645-S648 PolarHBondContact OD1-N 2.92Å; D645-L650 HydrophobicContact CB-CD1 4.33Å; D645-L650 HydrophobicContact CB-CD2 4.17Å; D645-L650 HydrophobicContact CB-CG 4.46Å
646	G	84.7	Confident	95	Very high	32 Å²	32	24.6 Å²	24.6	33%	0.33	14%	0.138	S	C	.	.	S	Bend	trans	100.2	-25.2	-172.4	0	0	0	0	0	114.3	Y602	Y602-G646 VanDerWaalsContact CE2-CA 3.44Å
647	S	84.9	Confident	95.1	Very high	72 Å²	72	25 Å²	25	50%	0.503	14%	0.135	S	C	.	.	S	Bend	trans	-93.7	-38.7	174.7	80.1	0	0	0	0	112.7	D645 A695	D645-S647 VanDerWaalsContact CG-OG 3.29Å; D645-S647 WeakPolarHBondContact OD1-CA 3.47Å; D645-S647 WeakPolarHBondContact OD1-CB 3.21Å; D645-S647 PolarHBondContact OD1-N 3.2Å; D645-S647 PolarHBondContact OD1-OG 3.49Å; D645-S647 PolarHBondContact OD2-OG 3.45Å; D645-S647 VanDerWaalsContact OD2-OG 3.11Å; S647-A695 VanDerWaalsContact O-CB 3.22Å; S647-A695 WeakPolarHBondContact O-CB 3.29Å; S647-A695 PolarHBondContact O-N 2.68Å; S647-A695 VanDerWaalsContact O-N 3.1Å
648	S	89	Confident	95.1	Very high	28 Å²	28	23.5 Å²	23.5	20%	0.196	13%	0.131	C	C	.	.	S	Bend	trans	-160	169.8	-170	65.9	0	0	0	0	112.6	R644 D645	R644-S648 VanDerWaalsContact CA-O 3.29Å; R644-S648 WeakPolarHBondContact CA-O 3.48Å; D645-S648 PolarHBondContact N-O 2.75Å; D645-S648 PolarHBondContact OD1-N 2.92Å
649	C	92.7	Very high	94.9	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.007	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-74.4	141.2	163.6	-63	0	0	0	0	110	G643 R672 H691 A693	G643-C649 CarbonylContact O-C 3.57Å; G643-C649 WeakPolarHBondContact O-CA 3.47Å; C649-R672 HydrophobicContact CB-CB 3.86Å; C649-R672 WeakPolarHBondContact O-CB 3.38Å; C649-R672 WeakPolarHBondContact O-CD 3.47Å; C649-R672 WeakPolarHBondContact O-CG 3.37Å; C649-H691 PolarHBondContact SG-CD2 3.42Å; C649-H691 PolarHBondContact SG-NE2 3.19Å; C649-H691 PolarHBondContact SG-O 3.26Å; C649-H691 VanDerWaalsContact SG-O 3.4Å; C649-A693 PolarHBondContact SG-N 2.72Å; C649-A693 PolarHBondContact SG-O 3.2Å; C649-A693 VanDerWaalsContact SG-O 3.35Å
650	L	94.9	Very high	94.8	Very high	14 Å²	14	33.8 Å²	33.8	7%	0.073	19%	0.185	C	C	.	.			trans	-94	148.6	-177.1	-63.2	173.8	0	0	0	111.3	T624 R626 G642 G643 D645 R672 R673	T624-L650 HydrophobicContact CG2-CD1 3.79Å; T624-L650 HydrophobicContact CG2-CD2 4.22Å; R626-L650 HydrophobicContact CG-CD1 3.83Å; G642-L650 WeakPolarHBondContact CA-O 3.45Å; G643-L650 PolarHBondContact O-N 2.96Å; D645-L650 HydrophobicContact CB-CD1 4.33Å; D645-L650 HydrophobicContact CB-CD2 4.17Å; D645-L650 HydrophobicContact CB-CG 4.46Å; L650-R672 WeakPolarHBondContact O-CA 3.5Å; L650-R673 PolarHBondContact O-N 3.45Å
651	R	95.4	Very high	94.8	Very high	128 Å²	128	37.4 Å²	37.4	48%	0.483	21%	0.205	S	C	.	.			trans	-111.8	-11.5	164.3	68.9	172.3	-177.1	-158.2	0.3	113.2	P668 M669 K671 R672	R651-P668 HydrophobicContact CG-CB 3.98Å; R651-P668 CarbonylContact O-C 3.53Å; R651-P668 VanDerWaalsContact O-CA 3.28Å; R651-P668 WeakPolarHBondContact O-CA 2.89Å; R651-P668 WeakPolarHBondContact O-CB 3.43Å; R651-M669 HydrophobicContact CB-CB 4.41Å; R651-M669 WeakPolarHBondContact CD-O 3.46Å; R651-M669 PolarHBondContact O-N 2.73Å; R651-K671 WeakPolarHBondContact CB-O 3.5Å; R651-R672 HydrophobicContact CB-CG 4.03Å; R651-R672 HydrophobicContact CG-CG 4.45Å
652	S	97.6	Very high	94.8	Very high	33 Å²	33	45.6 Å²	45.6	23%	0.231	24%	0.235	C	C	.	.			trans	-69.5	151.5	179.5	54.2	0	0	0	0	110.5	R626 G642	R626-S652 PolarHBondContact NH1-O 2.81Å; R626-S652 PolarHBondContact NH2-O 3.44Å; R626-S652 PolarHBondContact NH2-OG 2.82Å; G642-S652 PolarHBondContact N-O 3.06Å
653	V	98.4	Very high	94.9	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	132.8	-177.9	-179.1	0	0	0	0	107.6	Y639 A640 V641 C666 M669 W716	Y639-V653 HydrophobicContact CD1-CG1 4.26Å; A640-V653 WeakPolarHBondContact O-CA 3.44Å; V641-V653 HydrophobicContact CG1-CG2 4.33Å; V641-V653 HydrophobicContact CG2-CG1 4.17Å; V653-C666 HydrophobicContact CB-CB 4.26Å; V653-C666 HydrophobicContact CG1-CB 4.19Å; V653-C666 PolarHBondContact O-N 2.91Å; V653-M669 HydrophobicContact CG2-CG 4.28Å; V653-W716 HydrophobicContact CG2-CZ2 3.8Å
654	E	98.6	Very high	95	Very high	7 Å²	7	51 Å²	51	3%	0.033	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	143.8	177.4	-67	172.9	-117.7	0	0	109.3	M622 A623 T624 R626 Y639 A640 W663 T664	M622-E654 WeakPolarHBondContact CA-OE2 3.36Å; M622-E654 WeakPolarHBondContact CB-OE2 3.42Å; A623-E654 PolarHBondContact N-OE2 2.89Å; T624-E654 VanDerWaalsContact CB-OE1 3.24Å; T624-E654 WeakPolarHBondContact CB-OE1 3.34Å; T624-E654 PolarHBondContact N-OE1 2.99Å; T624-E654 PolarHBondContact OG1-OE1 3.01Å; R626-E654 IonicContact CZ-OE1 2.73Å; R626-E654 IonicContact NE-OE1 3.59Å; R626-E654 PolarHBondContact NE-OE1 2.93Å; R626-E654 IonicContact NH2-OE1 3.76Å; R626-E654 PolarHBondContact NH2-OE1 2.8Å; Y639-E654 WeakPolarHBondContact CA-O 3.24Å; A640-E654 PolarHBondContact N-O 2.81Å; A640-E654 PolarHBondContact O-N 3.12Å; E654-W663 HydrophobicContact CB-CE3 3.64Å; E654-W663 HydrophobicContact CB-CZ3 4.17Å; E654-W663 WeakPolarHBondContact O-CZ3 3.39Å; E654-T664 CarbonylContact C-O 3.59Å; E654-T664 VanDerWaalsContact CA-O 3.31Å; E654-T664 WeakPolarHBondContact CA-O 3.27Å
655	C	98.3	Very high	95.3	Very high	4 Å²	4	53.1 Å²	53.1	3%	0.027	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	128.5	-178.1	-177.2	0	0	0	0	110	K637 L638 Y639 W663 T664 C666	K637-C655 VanDerWaalsContact CB-SG 3.54Å; L638-C655 CarbonylContact O-C 3.45Å; L638-C655 WeakPolarHBondContact O-CA 3.4Å; Y639-C655 HydrophobicContact CD1-CB 3.97Å; Y639-C655 HydrophobicContact CE1-CB 3.78Å; Y639-C655 VanDerWaalsContact CE2-SG 3.58Å; C655-W663 CarbonylContact O-C 3.5Å; C655-W663 VanDerWaalsContact O-CA 3.29Å; C655-W663 WeakPolarHBondContact O-CA 3.48Å; C655-T664 PolarHBondContact N-O 3.43Å; C655-T664 PolarHBondContact O-N 3.2Å; C655-T664 PolarHBondContact O-OG1 3.42Å; C655-C666 VanDerWaalsContact CB-SG 3.55Å
656	F	98.6	Very high	95.6	Very high	3 Å²	3	51.6 Å²	51.6	1%	0.013	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	128.9	179.1	175.8	-102.5	0	0	0	111.6	Y592 V619 A620 K637 L638 P658 N661 R662 W663	Y592-F656 AromaticContact CE1-CE1 3.85Å; Y592-F656 HydrophobicContact CE1-CE1 3.85Å; V619-F656 HydrophobicContact CB-CE2 4.37Å; V619-F656 HydrophobicContact CB-CZ 4.02Å; V619-F656 HydrophobicContact CG1-CZ 4.49Å; V619-F656 HydrophobicContact CG2-CE2 4.33Å; V619-F656 HydrophobicContact CG2-CZ 4.08Å; A620-F656 HydrophobicContact CB-CE2 4.33Å; K637-F656 WeakPolarHBondContact CA-O 3.42Å; K637-F656 WeakPolarHBondContact CB-O 3.41Å; L638-F656 HydrophobicContact CB-CB 4.21Å; L638-F656 HydrophobicContact CB-CD1 4.38Å; L638-F656 PolarHBondContact N-O 3.23Å; L638-F656 VanDerWaalsContact N-O 3.09Å; L638-F656 PolarHBondContact O-N 3.38Å; F656-P658 HydrophobicContact CE1-CB 4Å; F656-N661 WeakPolarHBondContact CE2-OD1 3.41Å; F656-R662 WeakPolarHBondContact CA-O 3.42Å; F656-W663 HydrophobicContact CB-CD2 3.65Å; F656-W663 HydrophobicContact CB-CE3 3.67Å; F656-W663 HydrophobicContact CB-CG 4.35Å; F656-W663 HydrophobicContact CB-CH2 3.65Å; F656-W663 HydrophobicContact CB-CZ2 3.6Å; F656-W663 HydrophobicContact CB-CZ3 3.69Å; F656-W663 AromaticContact CD2-CD1 3.85Å; F656-W663 HydrophobicContact CD2-CD2 4.2Å; F656-W663 AromaticContact CD2-CE2 3.81Å; F656-W663 HydrophobicContact CD2-CG 4.22Å; F656-W663 HydrophobicContact CD2-CZ2 4.3Å; F656-W663 AromaticContact CD2-NE1 3.57Å; F656-W663 HydrophobicContact CG-CD2 4.39Å; F656-W663 HydrophobicContact CG-CZ2 4.1Å
657	D	97.6	Very high	96.2	Very high	33 Å²	33	51 Å²	51	18%	0.176	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	113.1	171.5	-169.1	-20.6	0	0	0	110.5	K637 H659 T660 N661 R662	K637-D657 HydrophobicContact CD-CB 4.45Å; K637-D657 IonicContact NZ-OD1 3.85Å; K637-D657 IonicContact NZ-OD2 2.72Å; K637-D657 PolarHBondContact NZ-OD2 3.17Å; D657-H659 PolarHBondContact O-N 2.77Å; D657-H659 WeakPolarHBondContact OD1-CB 3.49Å; D657-H659 IonicContact OD1-CG 3.45Å; D657-H659 PolarHBondContact OD1-N 3.34Å; D657-H659 IonicContact OD1-ND1 2.74Å; D657-H659 PolarHBondContact OD1-ND1 2.82Å; D657-H659 VanDerWaalsContact OD1-ND1 3.16Å; D657-T660 PolarHBondContact O-N 2.82Å; D657-N661 WeakPolarHBondContact O-CA 3.1Å; D657-N661 PolarHBondContact O-N 3.28Å; D657-R662 PolarHBondContact N-O 3.15Å
658	P	96.2	Very high	96.8	Very high	30 Å²	30	50.8 Å²	50.8	20%	0.195	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-25.3	-179.3	29.8	-36.7	0	0	0	112.6	L587 G636 F656	L587-P658 HydrophobicContact CD2-CB 4.27Å; L587-P658 HydrophobicContact CD2-CG 3.86Å; L587-P658 HydrophobicContact CG-CG 4.43Å; G636-P658 WeakPolarHBondContact O-CD 3.38Å; F656-P658 HydrophobicContact CE1-CB 4Å
659	H	95.6	Very high	97.2	Very high	145 Å²	145	49.6 Å²	49.6	67%	0.671	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-31.7	-178	-58.6	83.3	0	0	0	112.4	E588 D657	E588-H659 IonicContact OE1-CE1 3.94Å; E588-H659 IonicContact OE2-CE1 2.66Å; D657-H659 PolarHBondContact O-N 2.77Å; D657-H659 WeakPolarHBondContact OD1-CB 3.49Å; D657-H659 IonicContact OD1-CG 3.45Å; D657-H659 PolarHBondContact OD1-N 3.34Å; D657-H659 IonicContact OD1-ND1 2.74Å; D657-H659 PolarHBondContact OD1-ND1 2.82Å; D657-H659 VanDerWaalsContact OD1-ND1 3.16Å
660	T	97	Very high	97.2	Very high	85 Å²	85	53.3 Å²	53.3	52%	0.521	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-12.1	176.7	70.5	0	0	0	0	113.5	D657	D657-T660 PolarHBondContact O-N 2.82Å
661	N	97.4	Very high	96.9	Very high	76 Å²	76	56.1 Å²	56.1	41%	0.406	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	52.9	-170.4	-173.2	27.6	0	0	0	112.1	A620 F656 D657	A620-N661 WeakPolarHBondContact CB-O 3.34Å; A620-N661 PolarHBondContact N-OD1 3.25Å; F656-N661 WeakPolarHBondContact CE2-OD1 3.41Å; D657-N661 WeakPolarHBondContact O-CA 3.1Å; D657-N661 PolarHBondContact O-N 3.28Å
662	R	98.1	Very high	96.7	Very high	171 Å²	171	55.1 Å²	55.1	65%	0.645	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.6	147.8	-179	-66.6	-177.2	69.9	175.8	1.6	112.1	F656 D657	F656-R662 WeakPolarHBondContact CA-O 3.42Å; D657-R662 PolarHBondContact N-O 3.15Å
663	W	98.6	Very high	96.5	Very high	30 Å²	30	53.5 Å²	53.5	11%	0.114	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	143	165.9	-67.4	88.3	0	0	0	111	V594 V606 A620 S621 M622 L638 A640 E654 C655 F656	V594-W663 HydrophobicContact CG1-CH2 4.29Å; V594-W663 HydrophobicContact CG1-CZ2 4.49Å; V606-W663 HydrophobicContact CG2-CZ2 3.89Å; A620-W663 VanDerWaalsContact O-CD1 3.32Å; A620-W663 PolarHBondContact O-NE1 2.67Å; S621-W663 VanDerWaalsContact C-CD1 3.41Å; M622-W663 HydrophobicContact CG-CD2 3.74Å; M622-W663 HydrophobicContact CG-CE3 4.08Å; M622-W663 HydrophobicContact CG-CG 4.33Å; M622-W663 HydrophobicContact CG-CH2 4.08Å; M622-W663 HydrophobicContact CG-CZ2 3.74Å; M622-W663 HydrophobicContact CG-CZ3 4.23Å; M622-W663 HydrophobicContact SD-CH2 4.28Å; M622-W663 HydrophobicContact SD-CZ2 4.39Å; L638-W663 HydrophobicContact CD2-CH2 4.32Å; L638-W663 HydrophobicContact CG-CH2 4.46Å; A640-W663 HydrophobicContact CB-CH2 3.93Å; A640-W663 HydrophobicContact CB-CZ3 3.69Å; E654-W663 HydrophobicContact CB-CE3 3.64Å; E654-W663 HydrophobicContact CB-CZ3 4.17Å; E654-W663 WeakPolarHBondContact O-CZ3 3.39Å; C655-W663 CarbonylContact O-C 3.5Å; C655-W663 VanDerWaalsContact O-CA 3.29Å; C655-W663 WeakPolarHBondContact O-CA 3.48Å; F656-W663 HydrophobicContact CB-CD2 3.65Å; F656-W663 HydrophobicContact CB-CE3 3.67Å; F656-W663 HydrophobicContact CB-CG 4.35Å; F656-W663 HydrophobicContact CB-CH2 3.65Å; F656-W663 HydrophobicContact CB-CZ2 3.6Å; F656-W663 HydrophobicContact CB-CZ3 3.69Å; F656-W663 AromaticContact CD2-CD1 3.85Å; F656-W663 HydrophobicContact CD2-CD2 4.2Å; F656-W663 AromaticContact CD2-CE2 3.81Å; F656-W663 HydrophobicContact CD2-CG 4.22Å; F656-W663 HydrophobicContact CD2-CZ2 4.3Å; F656-W663 AromaticContact CD2-NE1 3.57Å; F656-W663 HydrophobicContact CG-CD2 4.39Å; F656-W663 HydrophobicContact CG-CZ2 4.1Å
664	T	98.1	Very high	96.1	Very high	84 Å²	84	53.5 Å²	53.5	52%	0.515	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	150.6	167.9	54.3	0	0	0	0	109.9	E654 C655	E654-T664 CarbonylContact C-O 3.59Å; E654-T664 VanDerWaalsContact CA-O 3.31Å; E654-T664 WeakPolarHBondContact CA-O 3.27Å; C655-T664 PolarHBondContact N-O 3.43Å; C655-T664 PolarHBondContact O-N 3.2Å; C655-T664 PolarHBondContact O-OG1 3.42Å
665	S	97.9	Very high	95.6	Very high	94 Å²	94	53.8 Å²	53.8	66%	0.657	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.7	141.2	170.2	-167.2	0	0	0	0	109.8
666	C	97.9	Very high	95.4	Very high	14 Å²	14	54 Å²	54	10%	0.095	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	177.4	162.3	-61.3	0	0	0	0	109.6	V653 C655 Y709	V653-C666 HydrophobicContact CB-CB 4.26Å; V653-C666 HydrophobicContact CG1-CB 4.19Å; V653-C666 PolarHBondContact O-N 2.91Å; C655-C666 VanDerWaalsContact CB-SG 3.55Å; C666-Y709 HydrophobicContact CB-CE2 4.26Å; C666-Y709 PolarHBondContact SG-OH 3.4Å
667	A	97.9	Very high	95.3	Very high	20 Å²	20	54.2 Å²	54.2	17%	0.165	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-56.7	139.1	169.7	0	0	0	0	0	111.8	D714 W716	A667-D714 WeakPolarHBondContact CB-O 3.28Å; A667-D714 WeakPolarHBondContact CB-OD1 3.48Å; A667-D714 PolarHBondContact N-OD1 3.11Å; A667-D714 PolarHBondContact N-OD2 2.75Å; A667-W716 PolarHBondContact O-NE1 2.76Å
668	P	97.8	Very high	95.3	Very high	67 Å²	67	53.4 Å²	53.4	44%	0.435	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-75.8	151.4	177.3	31.9	-34.9	0	0	0	111.9	R651 W716	R651-P668 HydrophobicContact CG-CB 3.98Å; R651-P668 CarbonylContact O-C 3.53Å; R651-P668 VanDerWaalsContact O-CA 3.28Å; R651-P668 WeakPolarHBondContact O-CA 2.89Å; R651-P668 WeakPolarHBondContact O-CB 3.43Å; P668-W716 VanDerWaalsContact C-CD1 3.49Å
669	M	96.6	Very high	95.3	Very high	3 Å²	3	52.4 Å²	52.4	2%	0.015	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-61.5	156.3	166.3	-63.7	177.9	-63.2	0	0	111	V641 R651 V653 K671 R673 A687 W716	V641-M669 HydrophobicContact CG1-CE 3.78Å; V641-M669 HydrophobicContact CG1-SD 3.52Å; V641-M669 VanDerWaalsContact CG1-SD 3.52Å; R651-M669 HydrophobicContact CB-CB 4.41Å; R651-M669 WeakPolarHBondContact CD-O 3.46Å; R651-M669 PolarHBondContact O-N 2.73Å; V653-M669 HydrophobicContact CG2-CG 4.28Å; M669-K671 WeakPolarHBondContact CB-O 3.19Å; M669-R673 HydrophobicContact CE-CB 4.2Å; M669-R673 HydrophobicContact CE-CG 4.14Å; M669-R673 HydrophobicContact SD-CG 4.39Å; M669-A687 HydrophobicContact SD-CB 3.6Å; M669-A687 VanDerWaalsContact SD-CB 3.6Å; M669-W716 HydrophobicContact CG-CD2 3.82Å; M669-W716 HydrophobicContact CG-CE3 4.13Å; M669-W716 HydrophobicContact CG-CG 4.49Å; M669-W716 HydrophobicContact CG-CH2 3.99Å; M669-W716 HydrophobicContact CG-CZ2 3.69Å; M669-W716 HydrophobicContact CG-CZ3 4.2Å; M669-W716 HydrophobicContact SD-CH2 4.29Å; M669-W716 HydrophobicContact SD-CZ2 4.43Å
670	A	92.6	Very high	95.3	Very high	79 Å²	79	47.1 Å²	47.1	65%	0.653	27%	0.265	S	S	*	.	S	Bend	trans	-68.4	-43.8	173.8	0	0	0	0	0	111.7	E707	A670-E707 WeakPolarHBondContact CB-OE2 3.29Å; A670-E707 PolarHBondContact N-OE2 2.82Å
671	K	89.1	Confident	95.1	Very high	72 Å²	72	44.4 Å²	44.4	31%	0.313	25%	0.245	S	C	.	.	S	Bend	trans	-95	151.5	174.1	-65.4	-170.3	-178.1	-174.6	0	111.5	R651 M669 S703 D704 C705 E707	R651-K671 WeakPolarHBondContact CB-O 3.5Å; M669-K671 WeakPolarHBondContact CB-O 3.19Å; K671-S703 WeakPolarHBondContact CD-OG 3.33Å; K671-S703 PolarHBondContact NZ-OG 3.02Å; K671-D704 IonicContact NZ-OD1 3.74Å; K671-D704 PolarHBondContact NZ-OD1 3.21Å; K671-C705 HydrophobicContact CD-CB 4.19Å; K671-C705 VanDerWaalsContact NZ-CB 3.28Å; K671-E707 PolarHBondContact N-OE1 3.31Å
672	R	91.8	Very high	94.6	Very high	107 Å²	107	44.2 Å²	44.2	40%	0.404	24%	0.242	S	C	.	.			trans	-78.3	144.9	162.7	-69.4	174	-108.2	-104.1	-3.3	109.5	C649 L650 R651 D692	C649-R672 HydrophobicContact CB-CB 3.86Å; C649-R672 WeakPolarHBondContact O-CB 3.38Å; C649-R672 WeakPolarHBondContact O-CD 3.47Å; C649-R672 WeakPolarHBondContact O-CG 3.37Å; L650-R672 WeakPolarHBondContact O-CA 3.5Å; R651-R672 HydrophobicContact CB-CG 4.03Å; R651-R672 HydrophobicContact CG-CG 4.45Å; R672-D692 HydrophobicContact CB-CB 4.25Å; R672-D692 WeakPolarHBondContact CD-OD1 3.09Å; R672-D692 IonicContact NE-OD1 2.67Å; R672-D692 PolarHBondContact NE-OD1 3.36Å; R672-D692 IonicContact NE-OD2 2.72Å; R672-D692 PolarHBondContact NE-OD2 2.94Å
673	R	92.1	Very high	94.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	23%	0.225	C	C	.	.			trans	-145.7	104.1	-177.1	-51.1	179.5	177.9	-109.2	3	111.7	G643 L650 M669 V676 G689 H691 C705 E707	G643-R673 PolarHBondContact N-O 2.91Å; L650-R673 PolarHBondContact O-N 3.45Å; M669-R673 HydrophobicContact CE-CB 4.2Å; M669-R673 HydrophobicContact CE-CG 4.14Å; M669-R673 HydrophobicContact SD-CG 4.39Å; R673-V676 HydrophobicContact CB-CB 3.75Å; R673-V676 HydrophobicContact CB-CG1 4.4Å; R673-V676 HydrophobicContact CB-CG2 4.01Å; R673-V676 HydrophobicContact CG-CG2 4.49Å; R673-G689 PolarHBondContact NH1-O 2.89Å; R673-H691 WeakPolarHBondContact CA-O 3.4Å; R673-C705 VanDerWaalsContact CZ-O 3.28Å; R673-C705 PolarHBondContact NH1-O 2.89Å; R673-C705 PolarHBondContact NH2-O 2.87Å; R673-E707 IonicContact CZ-OE1 3.2Å; R673-E707 IonicContact NE-OE1 3.84Å; R673-E707 PolarHBondContact NE-OE1 3.1Å; R673-E707 IonicContact NH2-OE1 3.59Å; R673-E707 PolarHBondContact NH2-OE1 3.02Å
674	G	90.2	Very high	94.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-84.3	148.3	157.3	0	0	0	0	0	110	V676 G690 H691	G674-V676 VanDerWaalsContact C-N 3.29Å; G674-V676 PolarHBondContact O-N 2.88Å; G674-G690 CarbonylContact O-C 3.6Å; G674-G690 WeakPolarHBondContact O-CA 3.39Å; G674-H691 PolarHBondContact N-O 2.91Å; G674-H691 PolarHBondContact O-N 2.92Å; G674-H691 PolarHBondContact O-ND1 3.39Å
675	G	88.8	Confident	94.1	Very high	12 Å²	12	34.3 Å²	34.3	12%	0.124	21%	0.205	C	C	.	.	S	Bend	trans	66.2	29.8	178.9	0	0	0	0	0	114	T628 A728	T628-G675 PolarHBondContact O-N 3Å; T628-G675 VanDerWaalsContact O-N 3.15Å; T628-G675 PolarHBondContact OG1-N 3.4Å; G675-A728 WeakPolarHBondContact O-CA 3.41Å; G675-A728 PolarHBondContact O-N 3.06Å
676	V	94.3	Very high	94.1	Very high	10 Å²	10	30 Å²	30	6%	0.061	18%	0.175	C	C	.	.			trans	-77.2	130.2	-175.3	62.1	0	0	0	0	111.9	V641 R673 G674 V678 A687	V641-V676 HydrophobicContact CG1-CG1 4.44Å; V641-V676 WeakPolarHBondContact O-CG1 3.41Å; R673-V676 HydrophobicContact CB-CB 3.75Å; R673-V676 HydrophobicContact CB-CG1 4.4Å; R673-V676 HydrophobicContact CB-CG2 4.01Å; R673-V676 HydrophobicContact CG-CG2 4.49Å; G674-V676 VanDerWaalsContact C-N 3.29Å; G674-V676 PolarHBondContact O-N 2.88Å; V676-V678 HydrophobicContact CG1-CG2 4.05Å; V676-V678 HydrophobicContact CG2-CG2 4.02Å; V676-A687 HydrophobicContact CG2-CB 4.09Å
677	G	96.1	Very high	94.1	Very high	6 Å²	6	29.3 Å²	29.3	6%	0.062	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	134.8	169.2	0	0	0	0	0	110.3	I688	G677-I688 PolarHBondContact N-O 2.85Å; G677-I688 PolarHBondContact O-N 3.42Å
678	V	97.3	Very high	94	Very high	17 Å²	17	28.4 Å²	28.4	10%	0.103	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	132	-172	-178.2	0	0	0	0	110.7	A632 V641 V676 L685 Y686	A632-V678 HydrophobicContact CB-CG1 3.75Å; V641-V678 HydrophobicContact CB-CG2 3.99Å; V641-V678 HydrophobicContact CG1-CG2 4.17Å; V641-V678 HydrophobicContact CG2-CG1 4.15Å; V641-V678 HydrophobicContact CG2-CG2 4.32Å; V676-V678 HydrophobicContact CG1-CG2 4.05Å; V676-V678 HydrophobicContact CG2-CG2 4.02Å; V678-L685 HydrophobicContact CG1-CD1 3.48Å; V678-L685 VanDerWaalsContact CG1-CD1 3.48Å; V678-L685 HydrophobicContact CG1-CG 4.2Å; V678-Y686 WeakPolarHBondContact CA-O 3.37Å
679	A	96.8	Very high	93.8	Very high	8 Å²	8	25.2 Å²	25.2	7%	0.066	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	172.6	174.8	0	0	0	0	0	111	Y686 V731 L738	A679-Y686 PolarHBondContact N-O 2.93Å; A679-Y686 PolarHBondContact O-N 2.87Å; A679-V731 HydrophobicContact CB-CG1 3.79Å; A679-L738 HydrophobicContact CB-CD2 3.82Å
680	T	95.4	Very high	93.5	Very high	35 Å²	35	25 Å²	25	22%	0.215	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	141.8	-174.5	50.3	0	0	0	0	111.3	A632 L634 F684 L685 L733	A632-T680 HydrophobicContact CB-CG2 4.07Å; L634-T680 HydrophobicContact CB-CG2 3.91Å; L634-T680 HydrophobicContact CD1-CG2 4.25Å; L634-T680 HydrophobicContact CD2-CG2 4.47Å; L634-T680 HydrophobicContact CG-CG2 4.45Å; T680-F684 CarbonylContact C-O 3.58Å; T680-F684 VanDerWaalsContact CA-O 3.25Å; T680-F684 WeakPolarHBondContact CA-O 3.15Å; T680-L685 HydrophobicContact CG2-CB 4.48Å; T680-L685 HydrophobicContact CG2-CD1 3.57Å; T680-L733 WeakPolarHBondContact O-CD2 3.31Å
681	W	92.6	Very high	93.2	Very high	28 Å²	28	22.1 Å²	22.1	11%	0.106	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	130.9	179.1	-176.2	93.5	0	0	0	110.6	G683 F684 Y686 D736 L738 P758 Q759	W681-G683 VanDerWaalsContact C-N 3.26Å; W681-G683 PolarHBondContact O-N 3.44Å; W681-G683 VanDerWaalsContact O-N 3.08Å; W681-F684 PolarHBondContact N-O 2.76Å; W681-F684 PolarHBondContact O-N 3.44Å; W681-Y686 HydrophobicContact CB-CD2 4.41Å; W681-Y686 HydrophobicContact CB-CE2 3.87Å; W681-D736 PolarHBondContact NE1-O 3.4Å; W681-L738 HydrophobicContact CB-CD2 4.35Å; W681-P758 HydrophobicContact CD2-CB 3.64Å; W681-P758 HydrophobicContact CD2-CG 3.63Å; W681-P758 HydrophobicContact CE3-CB 3.44Å; W681-P758 VanDerWaalsContact CE3-CB 3.44Å; W681-P758 HydrophobicContact CE3-CG 3.98Å; W681-P758 HydrophobicContact CG-CB 4.44Å; W681-P758 HydrophobicContact CG-CG 3.97Å; W681-P758 HydrophobicContact CH2-CB 3.73Å; W681-P758 HydrophobicContact CH2-CG 4.47Å; W681-P758 HydrophobicContact CZ2-CB 3.86Å; W681-P758 HydrophobicContact CZ2-CG 4.11Å; W681-P758 HydrophobicContact CZ3-CB 3.51Å; W681-P758 HydrophobicContact CZ3-CG 4.4Å; W681-Q759 HydrophobicContact CH2-CG 3.88Å; W681-Q759 HydrophobicContact CZ2-CG 4.02Å
682	H	87.6	Confident	93	Very high	71 Å²	71	21 Å²	21	33%	0.329	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	44.6	40.1	177.3	-73.9	-121.8	0	0	0	116.1
683	G	90.2	Very high	92.1	Very high	29 Å²	29	16.3 Å²	16.3	30%	0.299	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.9	-2.6	177.7	0	0	0	0	0	115	W681 P711	W681-G683 VanDerWaalsContact C-N 3.26Å; W681-G683 PolarHBondContact O-N 3.44Å; W681-G683 VanDerWaalsContact O-N 3.08Å; G683-P711 WeakPolarHBondContact O-CD 3.47Å; G683-P711 WeakPolarHBondContact O-CG 3.35Å
684	F	95.4	Very high	90.9	Very high	49 Å²	49	18.9 Å²	18.9	22%	0.215	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	156.7	175.8	-55.2	-83.2	0	0	0	112.2	T680 W681 Y686 R708 Y709 D710	T680-F684 CarbonylContact C-O 3.58Å; T680-F684 VanDerWaalsContact CA-O 3.25Å; T680-F684 WeakPolarHBondContact CA-O 3.15Å; W681-F684 PolarHBondContact N-O 2.76Å; W681-F684 PolarHBondContact O-N 3.44Å; F684-Y686 HydrophobicContact CB-CD2 4.46Å; F684-Y686 HydrophobicContact CB-CE2 3.8Å; F684-R708 HydrophobicContact CB-CG 3.69Å; F684-R708 HydrophobicContact CD1-CG 4.18Å; F684-R708 HydrophobicContact CG-CG 4.08Å; F684-Y709 WeakPolarHBondContact CA-O 3.43Å; F684-Y709 WeakPolarHBondContact CB-O 3.08Å; F684-D710 HydrophobicContact CD1-CB 3.89Å; F684-D710 HydrophobicContact CE1-CB 3.82Å
685	L	97.7	Very high	89.3	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	136.3	173.9	-179.8	70.8	0	0	0	109.2	A632 L634 Y639 V641 V678 T680 R708 Y709 W716	A632-L685 HydrophobicContact CB-CD1 3.89Å; L634-L685 HydrophobicContact CD2-CB 3.84Å; Y639-L685 HydrophobicContact CD1-CD2 3.9Å; Y639-L685 HydrophobicContact CG-CD2 3.97Å; V641-L685 HydrophobicContact CG2-CD2 3.85Å; V678-L685 HydrophobicContact CG1-CD1 3.48Å; V678-L685 VanDerWaalsContact CG1-CD1 3.48Å; V678-L685 HydrophobicContact CG1-CG 4.2Å; T680-L685 HydrophobicContact CG2-CB 4.48Å; T680-L685 HydrophobicContact CG2-CD1 3.57Å; L685-R708 CarbonylContact O-C 3.59Å; L685-R708 WeakPolarHBondContact O-CA 3.43Å; L685-Y709 HydrophobicContact CB-CD1 4.07Å; L685-Y709 HydrophobicContact CD2-CD1 4.18Å; L685-Y709 PolarHBondContact N-O 2.81Å; L685-Y709 PolarHBondContact O-N 3.17Å; L685-W716 HydrophobicContact CD2-CH2 4.16Å; L685-W716 HydrophobicContact CD2-CZ2 4.42Å; L685-W716 HydrophobicContact CG-CH2 4.4Å
686	Y	97.9	Very high	87.4	Confident	3 Å²	3	27.1 Å²	27.1	1%	0.012	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	129.5	-177.7	-69.7	-104.3	0	0	0	110.3	V678 A679 W681 F684 E707 R708 L738 Y756	V678-Y686 WeakPolarHBondContact CA-O 3.37Å; A679-Y686 PolarHBondContact N-O 2.93Å; A679-Y686 PolarHBondContact O-N 2.87Å; W681-Y686 HydrophobicContact CB-CD2 4.41Å; W681-Y686 HydrophobicContact CB-CE2 3.87Å; F684-Y686 HydrophobicContact CB-CD2 4.46Å; F684-Y686 HydrophobicContact CB-CE2 3.8Å; Y686-E707 CarbonylContact C-O 3.51Å; Y686-E707 WeakPolarHBondContact CA-O 3.45Å; Y686-R708 HydrophobicContact CD1-CB 3.93Å; Y686-R708 HydrophobicContact CD1-CG 4.11Å; Y686-R708 HydrophobicContact CD2-CG 4.35Å; Y686-R708 HydrophobicContact CE1-CB 3.78Å; Y686-R708 HydrophobicContact CE1-CG 3.69Å; Y686-R708 HydrophobicContact CE2-CG 3.93Å; Y686-R708 HydrophobicContact CG-CG 4.43Å; Y686-R708 WeakPolarHBondContact OH-CD 3.48Å; Y686-L738 HydrophobicContact CD1-CD1 3.84Å; Y686-L738 HydrophobicContact CD2-CD1 3.65Å; Y686-L738 HydrophobicContact CE1-CD1 4.31Å; Y686-L738 HydrophobicContact CE2-CD1 4.15Å; Y686-L738 HydrophobicContact CG-CD1 3.48Å; Y686-L738 VanDerWaalsContact CG-CD1 3.48Å; Y686-Y756 HydrophobicContact CD1-CE1 4.31Å; Y686-Y756 AromaticContact CE1-CE1 3.71Å; Y686-Y756 HydrophobicContact CE1-CE1 3.71Å
687	A	97.6	Very high	85.3	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	113	174.4	0	0	0	0	0	109.5	V641 M669 V676 E707 W716	V641-A687 HydrophobicContact CG1-CB 4.3Å; M669-A687 HydrophobicContact SD-CB 3.6Å; M669-A687 VanDerWaalsContact SD-CB 3.6Å; V676-A687 HydrophobicContact CG2-CB 4.09Å; A687-E707 PolarHBondContact N-O 2.81Å; A687-E707 PolarHBondContact O-N 3.47Å; A687-W716 HydrophobicContact CB-CH2 3.89Å; A687-W716 HydrophobicContact CB-CZ3 3.66Å
688	I	96.3	Very high	83.1	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	134.3	-168.5	-69.1	158.5	0	0	0	109	G677 V706 M722 V729 V731 L738 A740 W763	G677-I688 PolarHBondContact N-O 2.85Å; G677-I688 PolarHBondContact O-N 3.42Å; I688-V706 HydrophobicContact CD1-CG1 4.46Å; I688-V706 HydrophobicContact CG1-CB 4.46Å; I688-V706 HydrophobicContact CG1-CG1 3.51Å; I688-V706 HydrophobicContact CG1-CG2 4.19Å; I688-M722 HydrophobicContact CG2-CE 4.23Å; I688-M722 HydrophobicContact CG2-SD 3.49Å; I688-M722 WeakPolarHBondContact CG2-SD 3.4Å; I688-V729 HydrophobicContact CG2-CG1 4.29Å; I688-V729 WeakPolarHBondContact O-CG1 3.38Å; I688-V731 HydrophobicContact CB-CG2 4.05Å; I688-V731 HydrophobicContact CD1-CG1 3.69Å; I688-V731 HydrophobicContact CD1-CG2 4.49Å; I688-V731 HydrophobicContact CG2-CG2 3.87Å; I688-L738 HydrophobicContact CD1-CD1 4.32Å; I688-A740 HydrophobicContact CG2-CB 4.25Å; I688-W763 HydrophobicContact CD1-CH2 4.16Å; I688-W763 HydrophobicContact CD1-CZ2 4.48Å; I688-W763 HydrophobicContact CG1-CH2 4.46Å; I688-W763 HydrophobicContact CG1-CZ2 4.46Å; I688-W763 HydrophobicContact CG2-CH2 4.21Å
689	G	92.9	Very high	80.9	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	25%	0.254	C	S	.	.			trans	61	-149.6	176.9	0	0	0	0	0	115.3	R673 S703 R726	R673-G689 PolarHBondContact NH1-O 2.89Å; G689-S703 WeakPolarHBondContact CA-O 3.26Å; G689-R726 CarbonylContact C-O 3.57Å; G689-R726 WeakPolarHBondContact CA-O 3.34Å
690	G	90.6	Very high	79.3	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	27%	0.268	C	S	.	.			trans	81	-176.2	-172.8	0	0	0	0	0	113.4	G674 S703 R726	G674-G690 CarbonylContact O-C 3.6Å; G674-G690 WeakPolarHBondContact O-CA 3.39Å; G690-S703 PolarHBondContact O-N 2.98Å; G690-R726 PolarHBondContact N-O 3.45Å
691	H	87.6	Confident	78.1	Confident	17 Å²	17	50.4 Å²	50.4	8%	0.079	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	149.3	-176.4	63.1	-98.1	0	0	0	114	R644 C649 R673 G674 S700 R701 L702 D727	R644-H691 PolarHBondContact NH1-NE2 3.25Å; C649-H691 PolarHBondContact SG-CD2 3.42Å; C649-H691 PolarHBondContact SG-NE2 3.19Å; C649-H691 PolarHBondContact SG-O 3.26Å; C649-H691 VanDerWaalsContact SG-O 3.4Å; R673-H691 WeakPolarHBondContact CA-O 3.4Å; G674-H691 PolarHBondContact N-O 2.91Å; G674-H691 PolarHBondContact O-N 2.92Å; G674-H691 PolarHBondContact O-ND1 3.39Å; H691-S700 WeakPolarHBondContact CB-OG 3.34Å; H691-R701 WeakPolarHBondContact CA-O 3.45Å; H691-L702 HydrophobicContact CB-CD2 4.19Å; H691-D727 IonicContact CE1-OD1 3.83Å; H691-D727 IonicContact CE1-OD2 3.27Å; H691-D727 IonicContact CG-OD1 3.78Å; H691-D727 IonicContact ND1-OD1 3.21Å; H691-D727 PolarHBondContact ND1-OD1 3.48Å; H691-D727 IonicContact ND1-OD2 2.68Å; H691-D727 PolarHBondContact ND1-OD2 3.04Å
692	D	85.1	Confident	77.3	Confident	50 Å²	50	51 Å²	51	27%	0.267	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	103.8	160.4	-167.2	-1.5	0	0	0	108.8	R672 R701	R672-D692 HydrophobicContact CB-CB 4.25Å; R672-D692 WeakPolarHBondContact CD-OD1 3.09Å; R672-D692 IonicContact NE-OD1 2.67Å; R672-D692 PolarHBondContact NE-OD1 3.36Å; R672-D692 IonicContact NE-OD2 2.72Å; R672-D692 PolarHBondContact NE-OD2 2.94Å; D692-R701 PolarHBondContact N-O 2.75Å; D692-R701 PolarHBondContact O-N 2.79Å
693	A	70.9	Confident	76.6	Confident	7 Å²	7	47.8 Å²	47.8	6%	0.058	28%	0.284	C	S	.	.			trans	-137.3	111.9	176.2	0	0	0	0	0	110.4	R644 C649	R644-A693 PolarHBondContact NH1-O 3.17Å; R644-A693 PolarHBondContact NH2-O 2.89Å; C649-A693 PolarHBondContact SG-N 2.72Å; C649-A693 PolarHBondContact SG-O 3.2Å; C649-A693 VanDerWaalsContact SG-O 3.35Å
694	P	67	Low	76.2	Confident	54 Å²	54	49.3 Å²	49.3	35%	0.351	29%	0.286	S	S	.	.			trans	-65.3	156.2	169.3	30.9	-34.8	0	0	0	110	S696 S697	P694-S696 PolarHBondContact O-N 2.8Å; P694-S697 PolarHBondContact O-N 2.84Å
695	A	56.6	Low	75.8	Confident	68 Å²	68	47.8 Å²	47.8	56%	0.562	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-15.6	179.6	0	0	0	0	0	114.4	S647	S647-A695 VanDerWaalsContact O-CB 3.22Å; S647-A695 WeakPolarHBondContact O-CB 3.29Å; S647-A695 PolarHBondContact O-N 2.68Å; S647-A695 VanDerWaalsContact O-N 3.1Å
696	S	49.4	Very low	75.6	Confident	117 Å²	117	47.8 Å²	47.8	82%	0.818	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	1.3	-177.2	54.4	0	0	0	0	115.6	P694	P694-S696 PolarHBondContact O-N 2.8Å
697	S	51.5	Low	75.6	Confident	53 Å²	53	47.7 Å²	47.7	37%	0.371	28%	0.281	S	S	.	.			trans	-130.3	130.7	-178.1	-175.5	0	0	0	0	112.9	P694 A699	P694-S697 PolarHBondContact O-N 2.84Å; S697-A699 VanDerWaalsContact C-N 3.34Å; S697-A699 PolarHBondContact OG-N 2.81Å; S697-A699 VanDerWaalsContact OG-N 3.14Å
698	L	48.8	Very low	75.6	Confident	182 Å²	182	51.1 Å²	51.1	95%	0.953	29%	0.294	S	S	*	.	S	Bend	trans	-78.8	-17.9	169.6	-70.1	164.7	0	0	0	112.7	S700	L698-S700 VanDerWaalsContact C-N 3.25Å; L698-S700 PolarHBondContact O-N 2.82Å
699	A	51.3	Low	75.7	Confident	76 Å²	76	51.4 Å²	51.4	63%	0.628	30%	0.295	S	S	*	.			trans	-78.6	75.2	176.8	0	0	0	0	0	110.5	S697 R701	S697-A699 VanDerWaalsContact C-N 3.34Å; S697-A699 PolarHBondContact OG-N 2.81Å; S697-A699 VanDerWaalsContact OG-N 3.14Å; A699-R701 PolarHBondContact O-N 3.17Å
700	S	63.2	Low	75.8	Confident	51 Å²	51	52.9 Å²	52.9	36%	0.357	30%	0.303	S	S	.	.			trans	-62.5	124.3	175.5	-172.6	0	0	0	0	110.9	H691 L698 L702	H691-S700 WeakPolarHBondContact CB-OG 3.34Å; L698-S700 VanDerWaalsContact C-N 3.25Å; L698-S700 PolarHBondContact O-N 2.82Å; S700-L702 PolarHBondContact O-N 2.89Å
701	R	69.6	Low	76.1	Confident	203 Å²	203	54.4 Å²	54.4	77%	0.766	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.5	97.5	171.1	-71.8	-174.6	177.8	-179.6	-0.7	109.2	H691 D692 A699	H691-R701 WeakPolarHBondContact CA-O 3.45Å; D692-R701 PolarHBondContact N-O 2.75Å; D692-R701 PolarHBondContact O-N 2.79Å; A699-R701 PolarHBondContact O-N 3.17Å
702	L	77.1	Confident	76.3	Confident	40 Å²	40	62 Å²	62	21%	0.209	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	151.4	171.5	-51.6	179.3	0	0	0	110.4	H691 S700 D727 D745	H691-L702 HydrophobicContact CB-CD2 4.19Å; S700-L702 PolarHBondContact O-N 2.89Å; L702-D727 HydrophobicContact CD2-CB 3.83Å; L702-D745 WeakPolarHBondContact CD1-O 3.43Å
703	S	72.5	Confident	76.9	Confident	4 Å²	4	63.7 Å²	63.7	3%	0.028	36%	0.36	C	S	.	.			trans	-116.4	121.1	178.6	-167.7	0	0	0	0	112.8	K671 G689 G690 C705 M722	K671-S703 WeakPolarHBondContact CD-OG 3.33Å; K671-S703 PolarHBondContact NZ-OG 3.02Å; G689-S703 WeakPolarHBondContact CA-O 3.26Å; G690-S703 PolarHBondContact O-N 2.98Å; S703-C705 WeakPolarHBondContact OG-CB 3.33Å; S703-C705 PolarHBondContact OG-N 2.78Å; S703-C705 PolarHBondContact OG-O 2.96Å; S703-M722 WeakPolarHBondContact O-CE 3.41Å
704	D	80.6	Confident	78.1	Confident	62 Å²	62	66.9 Å²	66.9	33%	0.332	38%	0.376	S	S	.	.			trans	-69.9	-40.5	157.6	59.8	-28.1	0	0	0	112.4	K671 P721 M722 S725	K671-D704 IonicContact NZ-OD1 3.74Å; K671-D704 PolarHBondContact NZ-OD1 3.21Å; D704-P721 HydrophobicContact CB-CB 4.12Å; D704-P721 WeakPolarHBondContact O-CA 3.29Å; D704-M722 PolarHBondContact O-N 2.99Å; D704-S725 PolarHBondContact N-OG 2.85Å
705	C	87.1	Confident	79.6	Confident	16 Å²	16	67.5 Å²	67.5	11%	0.108	38%	0.379	C	S	.	.			trans	-61.9	139.1	-170.7	174.5	0	0	0	0	111.7	K671 R673 S703	K671-C705 HydrophobicContact CD-CB 4.19Å; K671-C705 VanDerWaalsContact NZ-CB 3.28Å; R673-C705 VanDerWaalsContact CZ-O 3.28Å; R673-C705 PolarHBondContact NH1-O 2.89Å; R673-C705 PolarHBondContact NH2-O 2.87Å; S703-C705 WeakPolarHBondContact OG-CB 3.33Å; S703-C705 PolarHBondContact OG-N 2.78Å; S703-C705 PolarHBondContact OG-O 2.96Å
706	V	95.2	Very high	81.6	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	135.1	178.7	-178.4	0	0	0	0	108.5	I688 V719 M722 W763	I688-V706 HydrophobicContact CD1-CG1 4.46Å; I688-V706 HydrophobicContact CG1-CB 4.46Å; I688-V706 HydrophobicContact CG1-CG1 3.51Å; I688-V706 HydrophobicContact CG1-CG2 4.19Å; V706-V719 HydrophobicContact CB-CG2 3.7Å; V706-V719 HydrophobicContact CG1-CG2 3.43Å; V706-V719 VanDerWaalsContact CG1-CG2 3.43Å; V706-V719 PolarHBondContact O-N 2.82Å; V706-M722 HydrophobicContact CG2-CG 4.08Å; V706-W763 HydrophobicContact CG2-CZ2 3.77Å
707	E	96.8	Very high	83.9	Confident	2 Å²	2	62.6 Å²	62.6	1%	0.009	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	139	179.7	-64.1	170.6	-111.3	0	0	109.7	A670 K671 R673 Y686 A687 W716	A670-E707 WeakPolarHBondContact CB-OE2 3.29Å; A670-E707 PolarHBondContact N-OE2 2.82Å; K671-E707 PolarHBondContact N-OE1 3.31Å; R673-E707 IonicContact CZ-OE1 3.2Å; R673-E707 IonicContact NE-OE1 3.84Å; R673-E707 PolarHBondContact NE-OE1 3.1Å; R673-E707 IonicContact NH2-OE1 3.59Å; R673-E707 PolarHBondContact NH2-OE1 3.02Å; Y686-E707 CarbonylContact C-O 3.51Å; Y686-E707 WeakPolarHBondContact CA-O 3.45Å; A687-E707 PolarHBondContact N-O 2.81Å; A687-E707 PolarHBondContact O-N 3.47Å; E707-W716 HydrophobicContact CB-CE3 3.6Å; E707-W716 HydrophobicContact CB-CZ3 4.1Å; E707-W716 WeakPolarHBondContact O-CZ3 3.36Å
708	R	97.4	Very high	86	Confident	72 Å²	72	64.7 Å²	64.7	27%	0.272	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	126	177.4	178.5	-161.7	65.2	168.8	-5.5	109.8	F684 L685 Y686 W716 T717 V719	F684-R708 HydrophobicContact CB-CG 3.69Å; F684-R708 HydrophobicContact CD1-CG 4.18Å; F684-R708 HydrophobicContact CG-CG 4.08Å; L685-R708 CarbonylContact O-C 3.59Å; L685-R708 WeakPolarHBondContact O-CA 3.43Å; Y686-R708 HydrophobicContact CD1-CB 3.93Å; Y686-R708 HydrophobicContact CD1-CG 4.11Å; Y686-R708 HydrophobicContact CD2-CG 4.35Å; Y686-R708 HydrophobicContact CE1-CB 3.78Å; Y686-R708 HydrophobicContact CE1-CG 3.69Å; Y686-R708 HydrophobicContact CE2-CG 3.93Å; Y686-R708 HydrophobicContact CG-CG 4.43Å; Y686-R708 WeakPolarHBondContact OH-CD 3.48Å; R708-W716 CarbonylContact O-C 3.56Å; R708-W716 WeakPolarHBondContact O-CA 3.41Å; R708-T717 PolarHBondContact N-O 2.75Å; R708-T717 PolarHBondContact NE-OG1 2.89Å; R708-T717 PolarHBondContact NH2-OG1 3.45Å; R708-T717 PolarHBondContact O-N 3.34Å; R708-T717 PolarHBondContact O-OG1 2.76Å; R708-V719 HydrophobicContact CB-CG1 3.83Å
709	Y	98.3	Very high	88.3	Confident	6 Å²	6	56.9 Å²	56.9	2%	0.024	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	136.5	176.5	171	-102.7	0	0	0	112.4	Y639 C666 F684 L685 P711 D714 V715 W716	Y639-Y709 HydrophobicContact CD1-CE1 4.46Å; Y639-Y709 HydrophobicContact CE1-CD1 4.47Å; Y639-Y709 AromaticContact CE1-CE1 3.68Å; Y639-Y709 HydrophobicContact CE1-CE1 3.68Å; C666-Y709 HydrophobicContact CB-CE2 4.26Å; C666-Y709 PolarHBondContact SG-OH 3.4Å; F684-Y709 WeakPolarHBondContact CA-O 3.43Å; F684-Y709 WeakPolarHBondContact CB-O 3.08Å; L685-Y709 HydrophobicContact CB-CD1 4.07Å; L685-Y709 HydrophobicContact CD2-CD1 4.18Å; L685-Y709 PolarHBondContact N-O 2.81Å; L685-Y709 PolarHBondContact O-N 3.17Å; Y709-P711 HydrophobicContact CE1-CB 3.78Å; Y709-D714 VanDerWaalsContact CE2-OD1 3.31Å; Y709-D714 WeakPolarHBondContact CE2-OD1 3.2Å; Y709-D714 PolarHBondContact OH-OD1 2.92Å; Y709-D714 VanDerWaalsContact OH-OD1 3.06Å; Y709-V715 WeakPolarHBondContact CA-O 3.45Å; Y709-W716 AromaticContact CD2-CD1 3.89Å; Y709-W716 HydrophobicContact CD2-CD2 4.22Å; Y709-W716 AromaticContact CD2-CE2 3.81Å; Y709-W716 HydrophobicContact CD2-CG 4.26Å; Y709-W716 HydrophobicContact CD2-CZ2 4.27Å; Y709-W716 AromaticContact CD2-NE1 3.59Å; Y709-W716 HydrophobicContact CG-CD2 4.35Å; Y709-W716 AromaticContact CG-CE2 3.97Å; Y709-W716 HydrophobicContact CG-CH2 4.48Å; Y709-W716 HydrophobicContact CG-CZ2 4.02Å
710	D	96.5	Very high	90.4	Very high	31 Å²	31	54.1 Å²	54.1	17%	0.166	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	113.8	170.5	174.7	16.1	0	0	0	110.8	F684 Q712 T713 D714 V715	F684-D710 HydrophobicContact CD1-CB 3.89Å; F684-D710 HydrophobicContact CE1-CB 3.82Å; D710-Q712 PolarHBondContact O-N 3.09Å; D710-Q712 WeakPolarHBondContact OD1-CB 3.42Å; D710-Q712 PolarHBondContact OD1-N 2.75Å; D710-T713 WeakPolarHBondContact CB-OG1 3.49Å; D710-T713 VanDerWaalsContact CG-OG1 3.26Å; D710-T713 PolarHBondContact O-N 3.24Å; D710-T713 WeakPolarHBondContact OD2-CB 3.49Å; D710-T713 VanDerWaalsContact OD2-CG2 3.31Å; D710-T713 WeakPolarHBondContact OD2-CG2 3.39Å; D710-T713 PolarHBondContact OD2-N 2.87Å; D710-T713 PolarHBondContact OD2-OG1 3.4Å; D710-D714 WeakPolarHBondContact O-CA 3.47Å; D710-D714 PolarHBondContact O-N 3.16Å; D710-V715 PolarHBondContact N-O 2.87Å
711	P	95.3	Very high	92	Very high	31 Å²	31	55 Å²	55	20%	0.201	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-8.1	177.9	32.7	-37.8	0	0	0	114.2	L634 G683 Y709	L634-P711 HydrophobicContact CD2-CG 3.93Å; L634-P711 HydrophobicContact CG-CG 4.5Å; G683-P711 WeakPolarHBondContact O-CD 3.47Å; G683-P711 WeakPolarHBondContact O-CG 3.35Å; Y709-P711 HydrophobicContact CE1-CB 3.78Å
712	Q	93.3	Very high	93.2	Very high	177 Å²	177	45.7 Å²	45.7	83%	0.827	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-30.7	175.5	-57.1	-169.9	9.6	0	0	112.4	D710	D710-Q712 PolarHBondContact O-N 3.09Å; D710-Q712 WeakPolarHBondContact OD1-CB 3.42Å; D710-Q712 PolarHBondContact OD1-N 2.75Å
713	T	96.3	Very high	94	Very high	86 Å²	86	48.2 Å²	48.2	53%	0.528	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-11.7	179.5	54.8	0	0	0	0	114.1	D710	D710-T713 WeakPolarHBondContact CB-OG1 3.49Å; D710-T713 VanDerWaalsContact CG-OG1 3.26Å; D710-T713 PolarHBondContact O-N 3.24Å; D710-T713 WeakPolarHBondContact OD2-CB 3.49Å; D710-T713 VanDerWaalsContact OD2-CG2 3.31Å; D710-T713 WeakPolarHBondContact OD2-CG2 3.39Å; D710-T713 PolarHBondContact OD2-N 2.87Å; D710-T713 PolarHBondContact OD2-OG1 3.4Å
714	D	97.4	Very high	94.8	Very high	73 Å²	73	50.3 Å²	50.3	39%	0.39	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	45.9	-172.3	-164.5	33.7	0	0	0	111.9	A667 Y709 D710	A667-D714 WeakPolarHBondContact CB-O 3.28Å; A667-D714 WeakPolarHBondContact CB-OD1 3.48Å; A667-D714 PolarHBondContact N-OD1 3.11Å; A667-D714 PolarHBondContact N-OD2 2.75Å; Y709-D714 VanDerWaalsContact CE2-OD1 3.31Å; Y709-D714 WeakPolarHBondContact CE2-OD1 3.2Å; Y709-D714 PolarHBondContact OH-OD1 2.92Å; Y709-D714 VanDerWaalsContact OH-OD1 3.06Å; D710-D714 WeakPolarHBondContact O-CA 3.47Å; D710-D714 PolarHBondContact O-N 3.16Å
715	V	97.9	Very high	95.2	Very high	67 Å²	67	49.2 Å²	49.2	41%	0.406	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	135.8	-176.2	173.9	0	0	0	0	111.6	Y709 D710 T717	Y709-V715 WeakPolarHBondContact CA-O 3.45Å; D710-V715 PolarHBondContact N-O 2.87Å; V715-T717 HydrophobicContact CG1-CG2 4.19Å
716	W	98.1	Very high	95.5	Very high	32 Å²	32	48.4 Å²	48.4	12%	0.121	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	130.4	165.6	-71.1	90.1	0	0	0	110.9	V641 V653 A667 P668 M669 L685 A687 E707 R708 Y709	V641-W716 HydrophobicContact CG1-CH2 4.39Å; V653-W716 HydrophobicContact CG2-CZ2 3.8Å; A667-W716 PolarHBondContact O-NE1 2.76Å; P668-W716 VanDerWaalsContact C-CD1 3.49Å; M669-W716 HydrophobicContact CG-CD2 3.82Å; M669-W716 HydrophobicContact CG-CE3 4.13Å; M669-W716 HydrophobicContact CG-CG 4.49Å; M669-W716 HydrophobicContact CG-CH2 3.99Å; M669-W716 HydrophobicContact CG-CZ2 3.69Å; M669-W716 HydrophobicContact CG-CZ3 4.2Å; M669-W716 HydrophobicContact SD-CH2 4.29Å; M669-W716 HydrophobicContact SD-CZ2 4.43Å; L685-W716 HydrophobicContact CD2-CH2 4.16Å; L685-W716 HydrophobicContact CD2-CZ2 4.42Å; L685-W716 HydrophobicContact CG-CH2 4.4Å; A687-W716 HydrophobicContact CB-CH2 3.89Å; A687-W716 HydrophobicContact CB-CZ3 3.66Å; E707-W716 HydrophobicContact CB-CE3 3.6Å; E707-W716 HydrophobicContact CB-CZ3 4.1Å; E707-W716 WeakPolarHBondContact O-CZ3 3.36Å; R708-W716 CarbonylContact O-C 3.56Å; R708-W716 WeakPolarHBondContact O-CA 3.41Å; Y709-W716 AromaticContact CD2-CD1 3.89Å; Y709-W716 HydrophobicContact CD2-CD2 4.22Å; Y709-W716 AromaticContact CD2-CE2 3.81Å; Y709-W716 HydrophobicContact CD2-CG 4.26Å; Y709-W716 HydrophobicContact CD2-CZ2 4.27Å; Y709-W716 AromaticContact CD2-NE1 3.59Å; Y709-W716 HydrophobicContact CG-CD2 4.35Å; Y709-W716 AromaticContact CG-CE2 3.97Å; Y709-W716 HydrophobicContact CG-CH2 4.48Å; Y709-W716 HydrophobicContact CG-CZ2 4.02Å
717	T	97.2	Very high	95.2	Very high	50 Å²	50	49.9 Å²	49.9	31%	0.307	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	127.4	173.7	58.7	0	0	0	0	110.1	R708 V715	R708-T717 PolarHBondContact N-O 2.75Å; R708-T717 PolarHBondContact NE-OG1 2.89Å; R708-T717 PolarHBondContact NH2-OG1 3.45Å; R708-T717 PolarHBondContact O-N 3.34Å; R708-T717 PolarHBondContact O-OG1 2.76Å; V715-T717 HydrophobicContact CG1-CG2 4.19Å
718	T	96.2	Very high	95	Very high	98 Å²	98	51.1 Å²	51.1	60%	0.601	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62	137.5	170.8	-50.6	0	0	0	0	110.7
719	V	96.9	Very high	94.9	Very high	18 Å²	18	48.1 Å²	48.1	11%	0.109	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	-176.3	172.5	-60.7	0	0	0	0	109.5	V706 R708 N761	V706-V719 HydrophobicContact CB-CG2 3.7Å; V706-V719 HydrophobicContact CG1-CG2 3.43Å; V706-V719 VanDerWaalsContact CG1-CG2 3.43Å; V706-V719 PolarHBondContact O-N 2.82Å; R708-V719 HydrophobicContact CB-CG1 3.83Å; V719-N761 WeakPolarHBondContact CB-OD1 3.39Å
720	A	96.6	Very high	94.8	Very high	17 Å²	17	48 Å²	48	14%	0.14	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-55.9	133	-177.2	0	0	0	0	0	112.3	Y756 N761 W763	A720-Y756 HydrophobicContact CB-CE2 4.33Å; A720-N761 WeakPolarHBondContact CB-O 3.31Å; A720-N761 PolarHBondContact N-OD1 2.77Å; A720-W763 PolarHBondContact O-NE1 2.63Å
721	P	95.7	Very high	94.8	Very high	70 Å²	70	47.2 Å²	47.2	46%	0.455	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-70	154.8	175.1	31.5	-35.2	0	0	0	110.9	D704 W763	D704-P721 HydrophobicContact CB-CB 4.12Å; D704-P721 WeakPolarHBondContact O-CA 3.29Å; P721-W763 PolarHBondContact O-NE1 2.85Å
722	M	94.9	Very high	94.8	Very high	7 Å²	7	46.7 Å²	46.7	3%	0.034	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-64.8	154.2	167.1	-61.2	175.5	-60.4	0	0	110.4	I688 S703 D704 V706 I724 R726 A740 W763	I688-M722 HydrophobicContact CG2-CE 4.23Å; I688-M722 HydrophobicContact CG2-SD 3.49Å; I688-M722 WeakPolarHBondContact CG2-SD 3.4Å; S703-M722 WeakPolarHBondContact O-CE 3.41Å; D704-M722 PolarHBondContact O-N 2.99Å; V706-M722 HydrophobicContact CG2-CG 4.08Å; M722-I724 VanDerWaalsContact CB-O 3.3Å; M722-I724 WeakPolarHBondContact CB-O 3.47Å; M722-I724 PolarHBondContact O-N 3.35Å; M722-R726 HydrophobicContact CE-CB 4.09Å; M722-R726 HydrophobicContact CE-CG 4.09Å; M722-R726 HydrophobicContact SD-CG 4.26Å; M722-A740 HydrophobicContact SD-CB 3.89Å; M722-W763 HydrophobicContact CG-CD2 4.16Å; M722-W763 HydrophobicContact CG-CE3 4.44Å; M722-W763 HydrophobicContact CG-CH2 3.96Å; M722-W763 HydrophobicContact CG-CZ2 3.66Å; M722-W763 HydrophobicContact CG-CZ3 4.34Å; M722-W763 HydrophobicContact SD-CH2 4.42Å
723	S	93	Very high	94.9	Very high	93 Å²	93	41 Å²	41	65%	0.65	25%	0.251	S	S	*	.	S	Bend	trans	-68.7	-22.9	174.5	63.1	0	0	0	0	113	E754	S723-E754 WeakPolarHBondContact CB-OE2 3.46Å; S723-E754 PolarHBondContact N-OE2 3.09Å; S723-E754 PolarHBondContact OG-OE2 2.67Å
724	I	89.8	Confident	94.8	Very high	49 Å²	49	37 Å²	37	25%	0.251	23%	0.227	S	C	.	.	S	Bend	trans	-125.1	139.7	177.8	-58.6	171.6	0	0	0	109.2	M722 R726 D745 L750 T752	M722-I724 VanDerWaalsContact CB-O 3.3Å; M722-I724 WeakPolarHBondContact CB-O 3.47Å; M722-I724 PolarHBondContact O-N 3.35Å; I724-R726 HydrophobicContact CG2-CG 4.43Å; I724-D745 HydrophobicContact CG2-CB 4.2Å; I724-L750 HydrophobicContact CG2-CD1 3.67Å; I724-L750 HydrophobicContact CG2-CD2 4.21Å; I724-T752 HydrophobicContact CD1-CG2 4.41Å
725	S	90.1	Very high	94.4	Very high	38 Å²	38	35 Å²	35	27%	0.266	22%	0.223	S	C	.	.			trans	-76.2	130.1	170.6	-68.8	0	0	0	0	110.5	D704	D704-S725 PolarHBondContact N-OG 2.85Å
726	R	92	Very high	94	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	21%	0.211	C	C	.	.			trans	-131.3	109.5	-170.4	-54.3	175.8	176.3	-96.1	-4	112.2	G689 G690 M722 I724 V729 G742 L750 T752 E754	G689-R726 CarbonylContact C-O 3.57Å; G689-R726 WeakPolarHBondContact CA-O 3.34Å; G690-R726 PolarHBondContact N-O 3.45Å; M722-R726 HydrophobicContact CE-CB 4.09Å; M722-R726 HydrophobicContact CE-CG 4.09Å; M722-R726 HydrophobicContact SD-CG 4.26Å; I724-R726 HydrophobicContact CG2-CG 4.43Å; R726-V729 HydrophobicContact CB-CB 3.78Å; R726-V729 HydrophobicContact CB-CG1 4.46Å; R726-V729 HydrophobicContact CB-CG2 4.03Å; R726-G742 WeakPolarHBondContact CD-O 3.44Å; R726-G742 PolarHBondContact NH1-O 2.92Å; R726-L750 HydrophobicContact CG-CD1 3.77Å; R726-T752 PolarHBondContact NH1-O 3.48Å; R726-T752 PolarHBondContact NH1-OG1 3.48Å; R726-T752 PolarHBondContact NH2-OG1 3.18Å; R726-E754 IonicContact CZ-OE1 2.67Å; R726-E754 IonicContact NE-OE1 3.42Å; R726-E754 PolarHBondContact NE-OE1 2.92Å; R726-E754 IonicContact NH2-OE1 3.43Å; R726-E754 PolarHBondContact NH2-OE1 2.92Å
727	D	90.2	Very high	93.8	Very high	30 Å²	30	34.2 Å²	34.2	16%	0.16	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-79.4	150.4	162.7	-175.1	33.5	0	0	0	111.6	H691 L702 V729 G743 Y744	H691-D727 IonicContact CE1-OD1 3.83Å; H691-D727 IonicContact CE1-OD2 3.27Å; H691-D727 IonicContact CG-OD1 3.78Å; H691-D727 IonicContact ND1-OD1 3.21Å; H691-D727 PolarHBondContact ND1-OD1 3.48Å; H691-D727 IonicContact ND1-OD2 2.68Å; H691-D727 PolarHBondContact ND1-OD2 3.04Å; L702-D727 HydrophobicContact CD2-CB 3.83Å; D727-V729 PolarHBondContact O-N 3.23Å; D727-G743 CarbonylContact O-C 3.58Å; D727-G743 WeakPolarHBondContact O-CA 3.41Å; D727-Y744 PolarHBondContact N-O 3.38Å; D727-Y744 PolarHBondContact O-N 2.9Å
728	A	91.9	Very high	93.8	Very high	29 Å²	29	31.9 Å²	31.9	24%	0.24	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.9	43.4	179.3	0	0	0	0	0	112.3	G675 A774 G775	G675-A728 WeakPolarHBondContact O-CA 3.41Å; G675-A728 PolarHBondContact O-N 3.06Å; A728-A774 HydrophobicContact CB-CB 4.38Å; A728-G775 WeakPolarHBondContact O-CA 3.18Å; A728-G775 PolarHBondContact O-N 2.89Å
729	V	95.3	Very high	93.9	Very high	8 Å²	8	27.5 Å²	27.5	5%	0.048	17%	0.173	C	C	.	.			trans	-73.6	130.6	-176.6	58.9	0	0	0	0	110.8	I688 R726 D727 V731 A740	I688-V729 HydrophobicContact CG2-CG1 4.29Å; I688-V729 WeakPolarHBondContact O-CG1 3.38Å; R726-V729 HydrophobicContact CB-CB 3.78Å; R726-V729 HydrophobicContact CB-CG1 4.46Å; R726-V729 HydrophobicContact CB-CG2 4.03Å; D727-V729 PolarHBondContact O-N 3.23Å; V729-V731 HydrophobicContact CB-CG2 4.46Å; V729-V731 HydrophobicContact CG1-CG2 3.93Å; V729-V731 HydrophobicContact CG2-CG2 3.95Å; V729-A740 HydrophobicContact CG2-CB 3.99Å
730	G	96.3	Very high	93.9	Very high	4 Å²	4	26.6 Å²	26.6	4%	0.041	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	127.8	171.1	0	0	0	0	0	109.5	V741	G730-V741 PolarHBondContact N-O 2.98Å; G730-V741 VanDerWaalsContact N-O 3.1Å; G730-V741 PolarHBondContact O-N 2.71Å
731	V	96.9	Very high	93.9	Very high	15 Å²	15	25.9 Å²	25.9	9%	0.091	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	134.2	-174.7	176.2	0	0	0	0	111.2	A679 I688 V729 Y739	A679-V731 HydrophobicContact CB-CG1 3.79Å; I688-V731 HydrophobicContact CB-CG2 4.05Å; I688-V731 HydrophobicContact CD1-CG1 3.69Å; I688-V731 HydrophobicContact CD1-CG2 4.49Å; I688-V731 HydrophobicContact CG2-CG2 3.87Å; V729-V731 HydrophobicContact CB-CG2 4.46Å; V729-V731 HydrophobicContact CG1-CG2 3.93Å; V729-V731 HydrophobicContact CG2-CG2 3.95Å; V731-Y739 VanDerWaalsContact CA-O 3.28Å; V731-Y739 WeakPolarHBondContact CA-O 3.25Å
732	C	95.8	Very high	93.9	Very high	20 Å²	20	22.6 Å²	22.6	14%	0.135	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	158.7	175.7	-156.6	0	0	0	0	112.6	M497 L738 Y739 V778 A780	M497-C732 HydrophobicContact SD-CB 4.27Å; C732-L738 WeakPolarHBondContact O-CA 3.43Å; C732-Y739 PolarHBondContact N-O 3.27Å; C732-Y739 PolarHBondContact O-N 2.75Å; C732-V778 HydrophobicContact CB-CG1 3.89Å; C732-A780 PolarHBondContact SG-N 3Å
733	L	94.6	Very high	93.9	Very high	58 Å²	58	22.3 Å²	22.3	30%	0.304	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	127.2	166	171.4	59.2	0	0	0	109.1	T680 G735 R737 L738 A780	T680-L733 WeakPolarHBondContact O-CD2 3.31Å; L733-G735 WeakPolarHBondContact CD1-O 3.35Å; L733-R737 WeakPolarHBondContact CD1-O 3.31Å; L733-L738 HydrophobicContact CB-CD2 3.83Å; L733-L738 HydrophobicContact CD1-CD2 4.05Å; L733-L738 HydrophobicContact CG-CD2 4.49Å; L733-A780 WeakPolarHBondContact O-CB 3.31Å
734	L	93.9	Very high	93.8	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.01	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	112.6	169	-172.4	73.5	0	0	0	109	V494 M497 Y515 L517 D736 R737 Y739 A780	V494-L734 HydrophobicContact CG1-CD1 3.64Å; V494-L734 HydrophobicContact CG1-CG 3.74Å; M497-L734 HydrophobicContact CB-CD1 4.18Å; M497-L734 HydrophobicContact CB-CD2 3.89Å; M497-L734 HydrophobicContact CB-CG 4.47Å; Y515-L734 HydrophobicContact CD1-CD2 3.68Å; Y515-L734 HydrophobicContact CE1-CD2 3.9Å; L517-L734 HydrophobicContact CB-CD2 4.16Å; L517-L734 HydrophobicContact CD2-CD2 4.42Å; L517-L734 HydrophobicContact CD2-CG 4.5Å; L734-D736 PolarHBondContact O-N 3.14Å; L734-R737 PolarHBondContact N-O 3.29Å; L734-R737 PolarHBondContact O-N 3.33Å; L734-Y739 HydrophobicContact CB-CD2 3.8Å; L734-Y739 HydrophobicContact CB-CE2 3.7Å; L734-Y739 HydrophobicContact CD2-CE2 4.41Å; L734-A780 HydrophobicContact CD1-CB 3.96Å
735	G	90.1	Very high	93.8	Very high	30 Å²	30	21.7 Å²	21.7	31%	0.309	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	-114.3	-175.5	0	0	0	0	0	111.4	V494 L733	V494-G735 VanDerWaalsContact CG1-N 3.29Å; L733-G735 WeakPolarHBondContact CD1-O 3.35Å
736	D	88.3	Confident	93.6	Very high	31 Å²	31	21.1 Å²	21.1	17%	0.166	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-6.1	-179.5	60.1	-32.6	0	0	0	114.3	R488 W681 L734	R488-D736 IonicContact CZ-OD2 2.82Å; R488-D736 IonicContact NE-OD1 3.82Å; R488-D736 IonicContact NE-OD2 2.8Å; R488-D736 PolarHBondContact NE-OD2 3.33Å; R488-D736 IonicContact NH2-OD1 3.9Å; R488-D736 IonicContact NH2-OD2 2.93Å; R488-D736 PolarHBondContact NH2-OD2 2.99Å; W681-D736 PolarHBondContact NE1-O 3.4Å; L734-D736 PolarHBondContact O-N 3.14Å
737	R	94.2	Very high	93.3	Very high	52 Å²	52	28.9 Å²	28.9	20%	0.196	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	147.4	-170.5	-67.2	174.3	-166.7	-84.6	-29.9	113.3	L733 L734 Y739 Y756 D757	L733-R737 WeakPolarHBondContact CD1-O 3.31Å; L734-R737 PolarHBondContact N-O 3.29Å; L734-R737 PolarHBondContact O-N 3.33Å; R737-Y739 HydrophobicContact CB-CD2 4.42Å; R737-Y739 HydrophobicContact CB-CE2 3.73Å; R737-Y739 WeakPolarHBondContact O-CD2 3.33Å; R737-Y756 WeakPolarHBondContact CA-O 3.37Å; R737-Y756 WeakPolarHBondContact CB-O 3.25Å; R737-D757 IonicContact CZ-OD2 3.68Å; R737-D757 IonicContact NH1-OD2 2.66Å; R737-D757 PolarHBondContact NH1-OD2 2.74Å; R737-D757 IonicContact NH2-OD2 3.63Å; R737-D757 PolarHBondContact NH2-OD2 2.92Å
738	L	96.9	Very high	93.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	127.9	172.2	-60.7	179.9	0	0	0	109.4	A679 W681 Y686 I688 C732 L733 A755 Y756	A679-L738 HydrophobicContact CB-CD2 3.82Å; W681-L738 HydrophobicContact CB-CD2 4.35Å; Y686-L738 HydrophobicContact CD1-CD1 3.84Å; Y686-L738 HydrophobicContact CD2-CD1 3.65Å; Y686-L738 HydrophobicContact CE1-CD1 4.31Å; Y686-L738 HydrophobicContact CE2-CD1 4.15Å; Y686-L738 HydrophobicContact CG-CD1 3.48Å; Y686-L738 VanDerWaalsContact CG-CD1 3.48Å; I688-L738 HydrophobicContact CD1-CD1 4.32Å; C732-L738 WeakPolarHBondContact O-CA 3.43Å; L733-L738 HydrophobicContact CB-CD2 3.83Å; L733-L738 HydrophobicContact CD1-CD2 4.05Å; L733-L738 HydrophobicContact CG-CD2 4.49Å; L738-A755 CarbonylContact O-C 3.58Å; L738-A755 WeakPolarHBondContact O-CA 3.43Å; L738-Y756 HydrophobicContact CB-CD1 4.44Å; L738-Y756 HydrophobicContact CD1-CD1 4.25Å; L738-Y756 PolarHBondContact N-O 2.96Å; L738-Y756 PolarHBondContact O-N 3.3Å
739	Y	97.7	Very high	93.5	Very high	6 Å²	6	33.6 Å²	33.6	2%	0.024	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	128.3	-178.2	-71.6	-101.3	0	0	0	110.2	M497 Y515 L517 V731 C732 L734 R737 V753 E754 A755 V766	M497-Y739 HydrophobicContact CE-CD1 3.72Å; M497-Y739 HydrophobicContact CE-CD2 4.42Å; M497-Y739 HydrophobicContact CE-CE1 4.46Å; M497-Y739 HydrophobicContact CE-CG 3.71Å; M497-Y739 HydrophobicContact SD-CG 4.16Å; Y515-Y739 HydrophobicContact CE1-CE1 4.04Å; L517-Y739 VanDerWaalsContact CD1-OH 3.29Å; L517-Y739 WeakPolarHBondContact CD1-OH 3.43Å; V731-Y739 VanDerWaalsContact CA-O 3.28Å; V731-Y739 WeakPolarHBondContact CA-O 3.25Å; C732-Y739 PolarHBondContact N-O 3.27Å; C732-Y739 PolarHBondContact O-N 2.75Å; L734-Y739 HydrophobicContact CB-CD2 3.8Å; L734-Y739 HydrophobicContact CB-CE2 3.7Å; L734-Y739 HydrophobicContact CD2-CE2 4.41Å; R737-Y739 HydrophobicContact CB-CD2 4.42Å; R737-Y739 HydrophobicContact CB-CE2 3.73Å; R737-Y739 WeakPolarHBondContact O-CD2 3.33Å; Y739-V753 HydrophobicContact CD1-CG1 4.12Å; Y739-E754 CarbonylContact C-O 3.58Å; Y739-E754 WeakPolarHBondContact CA-O 3.21Å; Y739-A755 HydrophobicContact CD1-CB 3.88Å; Y739-A755 HydrophobicContact CE1-CB 3.55Å; Y739-A755 HydrophobicContact CE2-CB 4.46Å; Y739-A755 HydrophobicContact CG-CB 4.47Å; Y739-V766 HydrophobicContact CD1-CG2 4.23Å; Y739-V766 HydrophobicContact CE1-CG1 4.39Å; Y739-V766 HydrophobicContact CE1-CG2 4.09Å
740	A	97.6	Very high	93.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	111.7	169.3	0	0	0	0	0	108.8	I688 M722 V729 V753 E754 W763	I688-A740 HydrophobicContact CG2-CB 4.25Å; M722-A740 HydrophobicContact SD-CB 3.89Å; V729-A740 HydrophobicContact CG2-CB 3.99Å; A740-V753 WeakPolarHBondContact O-CA 3.15Å; A740-E754 PolarHBondContact N-O 3.1Å; A740-E754 PolarHBondContact O-N 2.83Å; A740-W763 HydrophobicContact CB-CH2 3.79Å; A740-W763 HydrophobicContact CB-CZ3 3.55Å
741	V	97.6	Very high	93.5	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.012	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	118	-166.5	172.5	0	0	0	0	109.7	M497 A499 W522 G730 V753 L769 V778	M497-V741 HydrophobicContact CE-CG2 4.04Å; M497-V741 HydrophobicContact SD-CG2 4.03Å; A499-V741 HydrophobicContact CB-CG1 4.34Å; W522-V741 HydrophobicContact CH2-CG1 4.06Å; W522-V741 HydrophobicContact CH2-CG2 4.24Å; W522-V741 HydrophobicContact CZ2-CG1 4.13Å; W522-V741 HydrophobicContact CZ2-CG2 4.07Å; G730-V741 PolarHBondContact N-O 2.98Å; G730-V741 VanDerWaalsContact N-O 3.1Å; G730-V741 PolarHBondContact O-N 2.71Å; V741-V753 HydrophobicContact CB-CG2 4.42Å; V741-V753 HydrophobicContact CG1-CG2 4.22Å; V741-V753 HydrophobicContact CG2-CG1 3.7Å; V741-V753 HydrophobicContact CG2-CG2 4.23Å; V741-L769 HydrophobicContact CG1-CD1 3.77Å; V741-L769 HydrophobicContact CG1-CD2 4.03Å; V741-L769 HydrophobicContact CG1-CG 4.13Å; V741-V778 HydrophobicContact CB-CG1 4.41Å; V741-V778 HydrophobicContact CB-CG2 3.97Å; V741-V778 HydrophobicContact CG1-CG2 3.91Å; V741-V778 HydrophobicContact CG2-CG1 4.08Å
742	G	95.9	Very high	93.5	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.197	C	C	.	.			trans	59.4	-143	177.7	0	0	0	0	0	113.5	R726 L750 T752	R726-G742 WeakPolarHBondContact CD-O 3.44Å; R726-G742 PolarHBondContact NH1-O 2.92Å; G742-L750 VanDerWaalsContact CA-O 3.27Å; G742-L750 WeakPolarHBondContact CA-O 3.38Å; G742-T752 PolarHBondContact N-O 2.91Å
743	G	94.2	Very high	93.5	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.01	19%	0.19	C	C	.	.			trans	107.2	-168	-172.3	0	0	0	0	0	112.5	D727 L750 R773	D727-G743 CarbonylContact O-C 3.58Å; D727-G743 WeakPolarHBondContact O-CA 3.41Å; G743-L750 PolarHBondContact O-N 2.79Å; G743-R773 PolarHBondContact N-O 2.91Å
744	Y	91.5	Very high	93.7	Very high	76 Å²	76	33.5 Å²	33.5	30%	0.298	18%	0.176	S	C	.	.	B	Isolated β-bridge	trans	-127.2	130.3	178.4	-172.6	-117.5	0	0	0	110.2	D727 G746 Q747 V748 Y749	D727-Y744 PolarHBondContact N-O 3.38Å; D727-Y744 PolarHBondContact O-N 2.9Å; Y744-G746 VanDerWaalsContact CZ-C 3.49Å; Y744-G746 PolarHBondContact OH-O 3.44Å; Y744-Q747 VanDerWaalsContact CE2-C 3.46Å; Y744-Q747 WeakPolarHBondContact CE2-O 3.33Å; Y744-Q747 PolarHBondContact OH-O 3.21Å; Y744-V748 VanDerWaalsContact CD2-C 3.47Å; Y744-V748 WeakPolarHBondContact CD2-O 3.43Å; Y744-Y749 AromaticContact CD2-CD1 3.9Å; Y744-Y749 HydrophobicContact CD2-CD1 3.9Å; Y744-Y749 HydrophobicContact CD2-CE1 4.06Å; Y744-Y749 HydrophobicContact CD2-CG 4.45Å; Y744-Y749 HydrophobicContact CE2-CE1 4.49Å
745	D	89.6	Confident	93.9	Very high	53 Å²	53	33.4 Å²	33.4	28%	0.283	18%	0.176	S	C	.	.			trans	-94.9	6.8	-179.1	68.7	-1.1	0	0	0	113.8	L702 I724 Q747 V748 L750	L702-D745 WeakPolarHBondContact CD1-O 3.43Å; I724-D745 HydrophobicContact CG2-CB 4.2Å; D745-Q747 WeakPolarHBondContact OD1-CA 3.14Å; D745-Q747 PolarHBondContact OD1-N 2.89Å; D745-V748 PolarHBondContact N-O 3.37Å; D745-V748 PolarHBondContact OD1-N 2.93Å; D745-V748 WeakPolarHBondContact OD2-CG2 3.45Å; D745-L750 HydrophobicContact CB-CD1 4.23Å; D745-L750 HydrophobicContact CB-CD2 4.12Å; D745-L750 HydrophobicContact CB-CG 4.31Å
746	G	85.2	Confident	94.2	Very high	27 Å²	27	32.2 Å²	32.2	28%	0.278	16%	0.162	S	C	.	.	S	Bend	trans	92.3	-5.5	-175.3	0	0	0	0	0	114	Y744	Y744-G746 VanDerWaalsContact CZ-C 3.49Å; Y744-G746 PolarHBondContact OH-O 3.44Å
747	Q	86.8	Confident	94.5	Very high	162 Å²	162	31.6 Å²	31.6	76%	0.757	16%	0.159	S	C	*	.	S	Bend	trans	-126.9	-54.5	174.5	-59.7	-62.9	-64.4	0	0	111.1	Y744 D745	Y744-Q747 VanDerWaalsContact CE2-C 3.46Å; Y744-Q747 WeakPolarHBondContact CE2-O 3.33Å; Y744-Q747 PolarHBondContact OH-O 3.21Å; D745-Q747 WeakPolarHBondContact OD1-CA 3.14Å; D745-Q747 PolarHBondContact OD1-N 2.89Å
748	V	91.2	Very high	94.3	Very high	82 Å²	82	30 Å²	30	50%	0.497	16%	0.156	S	C	.	.	S	Bend	trans	-127.1	154	-171.6	-63.3	0	0	0	0	113.4	Y744 D745 L750	Y744-V748 VanDerWaalsContact CD2-C 3.47Å; Y744-V748 WeakPolarHBondContact CD2-O 3.43Å; D745-V748 PolarHBondContact N-O 3.37Å; D745-V748 PolarHBondContact OD1-N 2.93Å; D745-V748 WeakPolarHBondContact OD2-CG2 3.45Å; V748-L750 HydrophobicContact CG2-CD2 4.4Å; V748-L750 PolarHBondContact O-N 3.18Å
749	Y	93.7	Very high	93.9	Very high	76 Å²	76	36.5 Å²	36.5	30%	0.298	19%	0.186	S	C	.	.	B	Isolated β-bridge	trans	-76.2	115.1	169.6	-58.7	-71.2	0	0	0	109.4	M503 D504 Y744 G772 A774	M503-Y749 HydrophobicContact CB-CE1 4.34Å; M503-Y749 HydrophobicContact CG-CE1 3.94Å; M503-Y749 VanDerWaalsContact O-CD1 3.31Å; M503-Y749 WeakPolarHBondContact O-CD1 3.14Å; M503-Y749 HydrophobicContact SD-CE1 4.38Å; M503-Y749 PolarHBondContact SD-OH 2.83Å; D504-Y749 VanDerWaalsContact C-CD2 3.49Å; D504-Y749 WeakPolarHBondContact O-CE2 3.31Å; Y744-Y749 AromaticContact CD2-CD1 3.9Å; Y744-Y749 HydrophobicContact CD2-CD1 3.9Å; Y744-Y749 HydrophobicContact CD2-CE1 4.06Å; Y744-Y749 HydrophobicContact CD2-CG 4.45Å; Y744-Y749 HydrophobicContact CE2-CE1 4.49Å; Y749-G772 WeakPolarHBondContact O-CA 3.21Å; Y749-A774 HydrophobicContact CD1-CB 3.8Å; Y749-A774 HydrophobicContact CE1-CB 4.23Å
750	L	94.9	Very high	93.7	Very high	11 Å²	11	39.7 Å²	39.7	6%	0.058	21%	0.206	C	C	.	.			trans	-72.4	135.9	-174	-62.8	171.1	0	0	0	111	I724 R726 G742 G743 D745 V748 G772 R773	I724-L750 HydrophobicContact CG2-CD1 3.67Å; I724-L750 HydrophobicContact CG2-CD2 4.21Å; R726-L750 HydrophobicContact CG-CD1 3.77Å; G742-L750 VanDerWaalsContact CA-O 3.27Å; G742-L750 WeakPolarHBondContact CA-O 3.38Å; G743-L750 PolarHBondContact O-N 2.79Å; D745-L750 HydrophobicContact CB-CD1 4.23Å; D745-L750 HydrophobicContact CB-CD2 4.12Å; D745-L750 HydrophobicContact CB-CG 4.31Å; V748-L750 HydrophobicContact CG2-CD2 4.4Å; V748-L750 PolarHBondContact O-N 3.18Å; L750-G772 VanDerWaalsContact O-CA 3.31Å; L750-G772 WeakPolarHBondContact O-CA 3.5Å; L750-R773 PolarHBondContact O-N 3.3Å
751	N	96.1	Very high	93.6	Very high	67 Å²	67	43.1 Å²	43.1	36%	0.358	23%	0.225	S	C	.	.			trans	-98.2	-14.9	162.9	71.8	-24.7	0	0	0	112.6	S768 L769	N751-S768 CarbonylContact O-C 3.56Å; N751-S768 VanDerWaalsContact O-CA 3.28Å; N751-S768 WeakPolarHBondContact O-CA 3.42Å; N751-S768 WeakPolarHBondContact O-CB 3.37Å; N751-L769 HydrophobicContact CB-CB 4.16Å; N751-L769 PolarHBondContact ND2-O 3.26Å; N751-L769 PolarHBondContact O-N 3.27Å
752	T	96.9	Very high	93.5	Very high	22 Å²	22	48.6 Å²	48.6	14%	0.135	25%	0.25	C	C	.	.			trans	-63	146	-178.1	57.8	0	0	0	0	111.7	I724 R726 G742	I724-T752 HydrophobicContact CD1-CG2 4.41Å; R726-T752 PolarHBondContact NH1-O 3.48Å; R726-T752 PolarHBondContact NH1-OG1 3.48Å; R726-T752 PolarHBondContact NH2-OG1 3.18Å; G742-T752 PolarHBondContact N-O 2.91Å
753	V	97.7	Very high	93.6	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	134.9	176.9	-177.3	0	0	0	0	109	W522 Y739 A740 V741 V766 L769	W522-V753 HydrophobicContact CZ2-CG2 3.99Å; Y739-V753 HydrophobicContact CD1-CG1 4.12Å; A740-V753 WeakPolarHBondContact O-CA 3.15Å; V741-V753 HydrophobicContact CB-CG2 4.42Å; V741-V753 HydrophobicContact CG1-CG2 4.22Å; V741-V753 HydrophobicContact CG2-CG1 3.7Å; V741-V753 HydrophobicContact CG2-CG2 4.23Å; V753-V766 HydrophobicContact CB-CG2 3.74Å; V753-V766 HydrophobicContact CG1-CG2 3.48Å; V753-V766 VanDerWaalsContact CG1-CG2 3.48Å; V753-V766 PolarHBondContact O-N 2.85Å; V753-L769 HydrophobicContact CG2-CG 4.2Å
754	E	97.6	Very high	93.8	Very high	3 Å²	3	53.4 Å²	53.4	1%	0.014	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	137.3	176	-61.2	169.9	-103.5	0	0	109.1	S723 R726 Y739 A740 W763	S723-E754 WeakPolarHBondContact CB-OE2 3.46Å; S723-E754 PolarHBondContact N-OE2 3.09Å; S723-E754 PolarHBondContact OG-OE2 2.67Å; R726-E754 IonicContact CZ-OE1 2.67Å; R726-E754 IonicContact NE-OE1 3.42Å; R726-E754 PolarHBondContact NE-OE1 2.92Å; R726-E754 IonicContact NH2-OE1 3.43Å; R726-E754 PolarHBondContact NH2-OE1 2.92Å; Y739-E754 CarbonylContact C-O 3.58Å; Y739-E754 WeakPolarHBondContact CA-O 3.21Å; A740-E754 PolarHBondContact N-O 3.1Å; A740-E754 PolarHBondContact O-N 2.83Å; E754-W763 HydrophobicContact CB-CD2 4.5Å; E754-W763 HydrophobicContact CB-CE3 3.54Å; E754-W763 HydrophobicContact CB-CZ3 4.02Å
755	A	97.6	Very high	94	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.008	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	121.9	173.8	0	0	0	0	0	109.6	L738 Y739 T764 V766	L738-A755 CarbonylContact O-C 3.58Å; L738-A755 WeakPolarHBondContact O-CA 3.43Å; Y739-A755 HydrophobicContact CD1-CB 3.88Å; Y739-A755 HydrophobicContact CE1-CB 3.55Å; Y739-A755 HydrophobicContact CE2-CB 4.46Å; Y739-A755 HydrophobicContact CG-CB 4.47Å; A755-T764 PolarHBondContact N-O 3.46Å; A755-T764 PolarHBondContact O-N 2.57Å; A755-T764 PolarHBondContact O-OG1 2.83Å; A755-V766 HydrophobicContact CB-CG1 3.82Å
756	Y	97.8	Very high	94.3	Very high	4 Å²	4	54.7 Å²	54.7	2%	0.016	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	134.7	175.5	177.9	-114.1	0	0	0	111	Y686 A720 R737 L738 P758 N761 E762 W763	Y686-Y756 HydrophobicContact CD1-CE1 4.31Å; Y686-Y756 AromaticContact CE1-CE1 3.71Å; Y686-Y756 HydrophobicContact CE1-CE1 3.71Å; A720-Y756 HydrophobicContact CB-CE2 4.33Å; R737-Y756 WeakPolarHBondContact CA-O 3.37Å; R737-Y756 WeakPolarHBondContact CB-O 3.25Å; L738-Y756 HydrophobicContact CB-CD1 4.44Å; L738-Y756 HydrophobicContact CD1-CD1 4.25Å; L738-Y756 PolarHBondContact N-O 2.96Å; L738-Y756 PolarHBondContact O-N 3.3Å; Y756-P758 HydrophobicContact CD1-CB 4.33Å; Y756-P758 HydrophobicContact CD1-CG 3.78Å; Y756-P758 VanDerWaalsContact CE1-CA 3.48Å; Y756-P758 HydrophobicContact CE1-CB 3.8Å; Y756-P758 HydrophobicContact CE1-CG 3.77Å; Y756-P758 WeakPolarHBondContact O-CD 3.28Å; Y756-N761 PolarHBondContact OH-OD1 2.78Å; Y756-N761 VanDerWaalsContact OH-OD1 3.11Å; Y756-E762 WeakPolarHBondContact CA-O 3.39Å; Y756-E762 WeakPolarHBondContact CD2-O 3.37Å; Y756-W763 AromaticContact CD2-CD1 3.78Å; Y756-W763 AromaticContact CD2-CD2 3.98Å; Y756-W763 HydrophobicContact CD2-CD2 3.98Å; Y756-W763 AromaticContact CD2-CE2 3.62Å; Y756-W763 HydrophobicContact CD2-CG 4.09Å; Y756-W763 HydrophobicContact CD2-CZ2 4.12Å; Y756-W763 AromaticContact CD2-NE1 3.48Å; Y756-W763 HydrophobicContact CG-CD2 4.26Å; Y756-W763 AromaticContact CG-CE2 3.92Å; Y756-W763 HydrophobicContact CG-CH2 4.43Å; Y756-W763 AromaticContact CG-CZ2 4Å; Y756-W763 HydrophobicContact CG-CZ2 4Å
757	D	94.6	Very high	94.9	Very high	18 Å²	18	54.7 Å²	54.7	10%	0.096	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	108.6	168.7	-165	-44.8	0	0	0	110.1	R737 Q759 T760 N761 E762	R737-D757 IonicContact CZ-OD2 3.68Å; R737-D757 IonicContact NH1-OD2 2.66Å; R737-D757 PolarHBondContact NH1-OD2 2.74Å; R737-D757 IonicContact NH2-OD2 3.63Å; R737-D757 PolarHBondContact NH2-OD2 2.92Å; D757-Q759 PolarHBondContact O-N 2.71Å; D757-Q759 WeakPolarHBondContact OD1-CA 3.24Å; D757-Q759 VanDerWaalsContact OD1-CB 3.32Å; D757-Q759 WeakPolarHBondContact OD1-CB 3.47Å; D757-Q759 PolarHBondContact OD1-N 3.35Å; D757-T760 WeakPolarHBondContact CB-OG1 3.29Å; D757-T760 PolarHBondContact OD1-N 2.89Å; D757-N761 VanDerWaalsContact O-CA 3.25Å; D757-N761 WeakPolarHBondContact O-CA 3.22Å; D757-N761 PolarHBondContact O-N 2.86Å; D757-E762 PolarHBondContact N-O 2.84Å; D757-E762 PolarHBondContact O-N 3.4Å
758	P	90.3	Very high	95.4	Very high	19 Å²	19	48.9 Å²	48.9	12%	0.123	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-9.6	178.3	-18.9	34.4	0	0	0	114.6	W681 Y756	W681-P758 HydrophobicContact CD2-CB 3.64Å; W681-P758 HydrophobicContact CD2-CG 3.63Å; W681-P758 HydrophobicContact CE3-CB 3.44Å; W681-P758 VanDerWaalsContact CE3-CB 3.44Å; W681-P758 HydrophobicContact CE3-CG 3.98Å; W681-P758 HydrophobicContact CG-CB 4.44Å; W681-P758 HydrophobicContact CG-CG 3.97Å; W681-P758 HydrophobicContact CH2-CB 3.73Å; W681-P758 HydrophobicContact CH2-CG 4.47Å; W681-P758 HydrophobicContact CZ2-CB 3.86Å; W681-P758 HydrophobicContact CZ2-CG 4.11Å; W681-P758 HydrophobicContact CZ3-CB 3.51Å; W681-P758 HydrophobicContact CZ3-CG 4.4Å; Y756-P758 HydrophobicContact CD1-CB 4.33Å; Y756-P758 HydrophobicContact CD1-CG 3.78Å; Y756-P758 VanDerWaalsContact CE1-CA 3.48Å; Y756-P758 HydrophobicContact CE1-CB 3.8Å; Y756-P758 HydrophobicContact CE1-CG 3.77Å; Y756-P758 WeakPolarHBondContact O-CD 3.28Å
759	Q	87.4	Confident	95.6	Very high	136 Å²	136	45.2 Å²	45.2	64%	0.636	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-42.9	178.7	-55.3	-173.4	9.5	0	0	111.7	W681 D757	W681-Q759 HydrophobicContact CH2-CG 3.88Å; W681-Q759 HydrophobicContact CZ2-CG 4.02Å; D757-Q759 PolarHBondContact O-N 2.71Å; D757-Q759 WeakPolarHBondContact OD1-CA 3.24Å; D757-Q759 VanDerWaalsContact OD1-CB 3.32Å; D757-Q759 WeakPolarHBondContact OD1-CB 3.47Å; D757-Q759 PolarHBondContact OD1-N 3.35Å
760	T	93	Very high	95.5	Very high	74 Å²	74	45.1 Å²	45.1	45%	0.454	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-17.5	173.8	74.5	0	0	0	0	113.3	D757 E762	D757-T760 WeakPolarHBondContact CB-OG1 3.29Å; D757-T760 PolarHBondContact OD1-N 2.89Å; T760-E762 WeakPolarHBondContact CB-OE2 3.13Å; T760-E762 WeakPolarHBondContact OG1-CB 3.38Å; T760-E762 PolarHBondContact OG1-OE2 3.04Å
761	N	95.4	Very high	95.2	Very high	72 Å²	72	48.7 Å²	48.7	39%	0.385	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.7	50.6	-173.2	174.4	74.6	0	0	0	111.5	V719 A720 Y756 D757	V719-N761 WeakPolarHBondContact CB-OD1 3.39Å; A720-N761 WeakPolarHBondContact CB-O 3.31Å; A720-N761 PolarHBondContact N-OD1 2.77Å; Y756-N761 PolarHBondContact OH-OD1 2.78Å; Y756-N761 VanDerWaalsContact OH-OD1 3.11Å; D757-N761 VanDerWaalsContact O-CA 3.25Å; D757-N761 WeakPolarHBondContact O-CA 3.22Å; D757-N761 PolarHBondContact O-N 2.86Å
762	E	96.8	Very high	95	Very high	116 Å²	116	46.4 Å²	46.4	54%	0.542	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	153.3	-178.5	-63.8	170.6	134.9	0	0	111.1	Y756 D757 T760	Y756-E762 WeakPolarHBondContact CA-O 3.39Å; Y756-E762 WeakPolarHBondContact CD2-O 3.37Å; D757-E762 PolarHBondContact N-O 2.84Å; D757-E762 PolarHBondContact O-N 3.4Å; T760-E762 WeakPolarHBondContact CB-OE2 3.13Å; T760-E762 WeakPolarHBondContact OG1-CB 3.38Å; T760-E762 PolarHBondContact OG1-OE2 3.04Å
763	W	97.4	Very high	94.9	Very high	37 Å²	37	45.4 Å²	45.4	14%	0.14	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	132.2	172.2	-72.3	90.8	0	0	0	110.1	I688 V706 A720 P721 M722 A740 E754 Y756	I688-W763 HydrophobicContact CD1-CH2 4.16Å; I688-W763 HydrophobicContact CD1-CZ2 4.48Å; I688-W763 HydrophobicContact CG1-CH2 4.46Å; I688-W763 HydrophobicContact CG1-CZ2 4.46Å; I688-W763 HydrophobicContact CG2-CH2 4.21Å; V706-W763 HydrophobicContact CG2-CZ2 3.77Å; A720-W763 PolarHBondContact O-NE1 2.63Å; P721-W763 PolarHBondContact O-NE1 2.85Å; M722-W763 HydrophobicContact CG-CD2 4.16Å; M722-W763 HydrophobicContact CG-CE3 4.44Å; M722-W763 HydrophobicContact CG-CH2 3.96Å; M722-W763 HydrophobicContact CG-CZ2 3.66Å; M722-W763 HydrophobicContact CG-CZ3 4.34Å; M722-W763 HydrophobicContact SD-CH2 4.42Å; A740-W763 HydrophobicContact CB-CH2 3.79Å; A740-W763 HydrophobicContact CB-CZ3 3.55Å; E754-W763 HydrophobicContact CB-CD2 4.5Å; E754-W763 HydrophobicContact CB-CE3 3.54Å; E754-W763 HydrophobicContact CB-CZ3 4.02Å; Y756-W763 AromaticContact CD2-CD1 3.78Å; Y756-W763 AromaticContact CD2-CD2 3.98Å; Y756-W763 HydrophobicContact CD2-CD2 3.98Å; Y756-W763 AromaticContact CD2-CE2 3.62Å; Y756-W763 HydrophobicContact CD2-CG 4.09Å; Y756-W763 HydrophobicContact CD2-CZ2 4.12Å; Y756-W763 AromaticContact CD2-NE1 3.48Å; Y756-W763 HydrophobicContact CG-CD2 4.26Å; Y756-W763 AromaticContact CG-CE2 3.92Å; Y756-W763 HydrophobicContact CG-CH2 4.43Å; Y756-W763 AromaticContact CG-CZ2 4Å; Y756-W763 HydrophobicContact CG-CZ2 4Å
764	T	97.3	Very high	94.7	Very high	66 Å²	66	45.9 Å²	45.9	41%	0.405	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	129.1	175.3	54.7	0	0	0	0	110	A755	A755-T764 PolarHBondContact N-O 3.46Å; A755-T764 PolarHBondContact O-N 2.57Å; A755-T764 PolarHBondContact O-OG1 2.83Å
765	Q	96.6	Very high	94.5	Very high	135 Å²	135	47.1 Å²	47.1	63%	0.631	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.5	139.8	171.9	-174.6	173.8	-10.1	0	0	110.3
766	V	96.8	Very high	94.3	Very high	21 Å²	21	47.4 Å²	47.4	13%	0.127	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	-177.5	173.9	-58.6	0	0	0	0	109.3	Y739 V753 A755 S768	Y739-V766 HydrophobicContact CD1-CG2 4.23Å; Y739-V766 HydrophobicContact CE1-CG1 4.39Å; Y739-V766 HydrophobicContact CE1-CG2 4.09Å; V753-V766 HydrophobicContact CB-CG2 3.74Å; V753-V766 HydrophobicContact CG1-CG2 3.48Å; V753-V766 VanDerWaalsContact CG1-CG2 3.48Å; V753-V766 PolarHBondContact O-N 2.85Å; A755-V766 HydrophobicContact CB-CG1 3.82Å; V766-S768 PolarHBondContact O-N 2.75Å
767	A	96.9	Very high	94.2	Very high	26 Å²	26	48.2 Å²	48.2	22%	0.215	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-55.8	132.5	-178.7	0	0	0	0	0	113.1	D520 W522	D520-A767 WeakPolarHBondContact O-CB 3.24Å; D520-A767 WeakPolarHBondContact OD1-CB 3.35Å; D520-A767 PolarHBondContact OD1-N 3.02Å; D520-A767 PolarHBondContact OD2-N 2.98Å; W522-A767 PolarHBondContact NE1-O 3.05Å
768	S	96.9	Very high	94.3	Very high	41 Å²	41	47.9 Å²	47.9	29%	0.287	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-69.8	152.6	176	-61.8	0	0	0	0	112.2	W522 N751 V766	W522-S768 VanDerWaalsContact CD1-C 3.47Å; N751-S768 CarbonylContact O-C 3.56Å; N751-S768 VanDerWaalsContact O-CA 3.28Å; N751-S768 WeakPolarHBondContact O-CA 3.42Å; N751-S768 WeakPolarHBondContact O-CB 3.37Å; V766-S768 PolarHBondContact O-N 2.75Å
769	L	95.5	Very high	94.6	Very high	4 Å²	4	47.8 Å²	47.8	2%	0.021	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-55.6	153.2	165.9	-65.7	165.3	0	0	0	111.4	A499 E513 W522 V741 N751 V753 L771 R773	A499-L769 HydrophobicContact CB-CD2 3.84Å; E513-L769 HydrophobicContact CB-CD2 4.47Å; E513-L769 WeakPolarHBondContact OE2-CA 3.48Å; E513-L769 WeakPolarHBondContact OE2-CD2 3.07Å; W522-L769 HydrophobicContact CD2-CD2 3.62Å; W522-L769 HydrophobicContact CE3-CD2 3.63Å; W522-L769 HydrophobicContact CG-CD2 4.29Å; W522-L769 HydrophobicContact CH2-CD2 3.81Å; W522-L769 HydrophobicContact CZ2-CD2 3.81Å; W522-L769 HydrophobicContact CZ3-CD2 3.73Å; V741-L769 HydrophobicContact CG1-CD1 3.77Å; V741-L769 HydrophobicContact CG1-CD2 4.03Å; V741-L769 HydrophobicContact CG1-CG 4.13Å; N751-L769 HydrophobicContact CB-CB 4.16Å; N751-L769 PolarHBondContact ND2-O 3.26Å; N751-L769 PolarHBondContact O-N 3.27Å; V753-L769 HydrophobicContact CG2-CG 4.2Å; L769-L771 VanDerWaalsContact C-N 3.26Å; L769-L771 PolarHBondContact O-N 3.46Å; L769-R773 HydrophobicContact CD1-CG 3.66Å
770	C	91.7	Very high	95	Very high	75 Å²	75	42.9 Å²	42.9	51%	0.507	26%	0.257	S	S	.	.	S	Bend	trans	-63.5	-34.5	171.7	-55.2	0	0	0	0	111.6	E513	E513-C770 PolarHBondContact OE2-N 2.95Å
771	L	88.9	Confident	94.9	Very high	86 Å²	86	39.5 Å²	39.5	45%	0.45	24%	0.236	S	C	.	.	S	Bend	trans	-133.4	132.2	178.3	-70.9	171.3	0	0	0	112.4	E513 L769 R773	E513-L771 PolarHBondContact OE1-N 3.1Å; L769-L771 VanDerWaalsContact C-N 3.26Å; L769-L771 PolarHBondContact O-N 3.46Å; L771-R773 PolarHBondContact O-NE 3.4Å
772	G	92.8	Very high	94.3	Very high	19 Å²	19	44.8 Å²	44.8	20%	0.196	25%	0.25	C	S	.	.			trans	-68.5	131.2	177.9	0	0	0	0	0	112.7	D504 Y749 L750	D504-G772 WeakPolarHBondContact CB-O 3.48Å; Y749-G772 WeakPolarHBondContact O-CA 3.21Å; L750-G772 VanDerWaalsContact O-CA 3.31Å; L750-G772 WeakPolarHBondContact O-CA 3.5Å
773	R	94.4	Very high	92.7	Very high	1 Å²	1	45.8 Å²	45.8	0%	0.004	26%	0.258	C	S	.	.			trans	-155.3	142	-167.4	58.1	-178.5	73.4	-147.7	10	112.7	G501 M503 S511 E513 G743 L750 L769 L771 A776	G501-R773 WeakPolarHBondContact O-CD 3.45Å; G501-R773 PolarHBondContact O-NH1 3.41Å; M503-R773 CarbonylContact O-C 3.57Å; M503-R773 VanDerWaalsContact O-CA 3.27Å; M503-R773 WeakPolarHBondContact O-CA 3.5Å; S511-R773 PolarHBondContact O-NH1 2.84Å; S511-R773 PolarHBondContact OG-NH2 2.75Å; E513-R773 IonicContact OE1-CZ 3.3Å; E513-R773 IonicContact OE1-NE 3.53Å; E513-R773 IonicContact OE1-NH2 2.66Å; E513-R773 PolarHBondContact OE1-NH2 2.74Å; G743-R773 PolarHBondContact N-O 2.91Å; L750-R773 PolarHBondContact O-N 3.3Å; L769-R773 HydrophobicContact CD1-CG 3.66Å; L771-R773 PolarHBondContact O-NE 3.4Å; R773-A776 HydrophobicContact CG-CB 4.02Å
774	A	93.4	Very high	92.5	Very high	9 Å²	9	46.2 Å²	46.2	7%	0.074	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-115.9	150.6	170.8	0	0	0	0	0	111.3	G502 M503 A728 Y749 A776	G502-A774 CarbonylContact C-O 3.52Å; G502-A774 WeakPolarHBondContact CA-O 3.39Å; M503-A774 PolarHBondContact N-O 2.78Å; M503-A774 PolarHBondContact O-N 2.94Å; A728-A774 HydrophobicContact CB-CB 4.38Å; Y749-A774 HydrophobicContact CD1-CB 3.8Å; Y749-A774 HydrophobicContact CE1-CB 4.23Å; A774-A776 PolarHBondContact O-N 3.3Å
775	G	92.2	Very high	92.2	Very high	29 Å²	29	45.2 Å²	45.2	30%	0.299	26%	0.257	S	S	.	.	S	Bend	trans	65.1	26.1	-178.2	0	0	0	0	0	113.8	A728	A728-G775 WeakPolarHBondContact O-CA 3.18Å; A728-G775 PolarHBondContact O-N 2.89Å
776	A	93.9	Very high	92	Very high	7 Å²	7	40.2 Å²	40.2	6%	0.058	24%	0.236	C	C	.	.			trans	-75.8	134.7	170.9	0	0	0	0	0	109.5	G501 R773 A774	G501-A776 WeakPolarHBondContact O-CB 3.22Å; R773-A776 HydrophobicContact CG-CB 4.02Å; A774-A776 PolarHBondContact O-N 3.3Å
777	C	96.3	Very high	91.7	Very high	22 Å²	22	41.3 Å²	41.3	15%	0.149	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	131.2	172.5	-71.2	0	0	0	0	109.4	V500 F535 V537	V500-C777 HydrophobicContact CB-CB 4.43Å; V500-C777 PolarHBondContact N-O 3.16Å; V500-C777 PolarHBondContact O-N 3.14Å; V500-C777 VanDerWaalsContact O-N 3.12Å; F535-C777 HydrophobicContact CE2-CB 4.06Å; F535-C777 PolarHBondContact O-SG 2.74Å; V537-C777 HydrophobicContact CB-CB 3.69Å; V537-C777 HydrophobicContact CG2-CB 3.41Å; V537-C777 VanDerWaalsContact CG2-CB 3.41Å
778	V	97.1	Very high	91.4	Very high	11 Å²	11	42.3 Å²	42.3	7%	0.067	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	121.6	-174.5	-178.5	0	0	0	0	109.8	M497 F498 A499 C732 V741	M497-V778 HydrophobicContact CG-CG1 3.56Å; M497-V778 HydrophobicContact SD-CG1 3.44Å; M497-V778 WeakPolarHBondContact SD-CG1 3.41Å; F498-V778 VanDerWaalsContact O-CA 3.3Å; F498-V778 WeakPolarHBondContact O-CA 3.41Å; A499-V778 HydrophobicContact CB-CG2 4.24Å; C732-V778 HydrophobicContact CB-CG1 3.89Å; V741-V778 HydrophobicContact CB-CG1 4.41Å; V741-V778 HydrophobicContact CB-CG2 3.97Å; V741-V778 HydrophobicContact CG1-CG2 3.91Å; V741-V778 HydrophobicContact CG2-CG1 4.08Å
779	V	96.4	Very high	91	Very high	16 Å²	16	42.3 Å²	42.3	10%	0.097	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	144.7	-172.7	-65.1	0	0	0	0	111.7	M497 F498 V537 V539 L544	M497-V779 CarbonylContact C-O 3.59Å; M497-V779 WeakPolarHBondContact CA-O 3.42Å; F498-V779 HydrophobicContact CB-CG2 4.38Å; F498-V779 PolarHBondContact N-O 3.11Å; F498-V779 PolarHBondContact O-N 2.72Å; V537-V779 HydrophobicContact CB-CG1 4.31Å; V537-V779 HydrophobicContact CG1-CG1 4.13Å; V537-V779 HydrophobicContact CG1-CG2 4.01Å; V539-V779 HydrophobicContact CG2-CB 3.7Å; V539-V779 HydrophobicContact CG2-CG1 4.37Å; V539-V779 HydrophobicContact CG2-CG2 3.68Å; L544-V779 HydrophobicContact CD2-CG2 3.75Å
780	A	94.4	Very high	90.7	Very high	34 Å²	34	45.1 Å²	45.1	28%	0.281	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	133.3	172.9	0	0	0	0	0	110.7	A496 C732 L733 L734	A496-A780 WeakPolarHBondContact O-CA 3.2Å; C732-A780 PolarHBondContact SG-N 3Å; L733-A780 WeakPolarHBondContact O-CB 3.31Å; L734-A780 HydrophobicContact CD1-CB 3.96Å
781	V	91.3	Very high	90.6	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.012	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	126	172.7	-171.2	0	0	0	0	108.1	G495 A496 F498 V539 L544 L783	G495-V781 CarbonylContact C-O 3.58Å; G495-V781 WeakPolarHBondContact CA-O 3.47Å; A496-V781 PolarHBondContact N-O 3.03Å; A496-V781 PolarHBondContact O-N 3.34Å; F498-V781 HydrophobicContact CD2-CB 4.23Å; F498-V781 HydrophobicContact CD2-CG2 3.71Å; F498-V781 HydrophobicContact CE2-CB 3.88Å; F498-V781 HydrophobicContact CE2-CG2 3.74Å; V539-V781 HydrophobicContact CG1-CB 4.49Å; V539-V781 HydrophobicContact CG1-CG1 4.23Å; V539-V781 HydrophobicContact CG1-CG2 4.02Å; V539-V781 HydrophobicContact CG2-CG2 3.84Å; L544-V781 HydrophobicContact CD2-CG2 3.51Å; V781-L783 HydrophobicContact CB-CD2 4.16Å; V781-L783 HydrophobicContact CB-CG 4.31Å; V781-L783 HydrophobicContact CG1-CD2 3.62Å; V781-L783 HydrophobicContact CG1-CG 4.13Å; V781-L783 PolarHBondContact O-N 2.88Å
782	R	82.5	Confident	90.8	Very high	183 Å²	183	39.2 Å²	39.2	69%	0.691	22%	0.22	S	C	*	.			trans	-78.1	110.1	163.5	-156.1	172.7	-170.1	-161.9	-5.4	107.1	T493	T493-R782 PolarHBondContact O-NE 3.17Å; T493-R782 VanDerWaalsContact O-NE 3.14Å; T493-R782 PolarHBondContact O-NH2 2.79Å
783	L	64.8	Low	90.6	Very high	137 Å²	137	41 Å²	41	72%	0.717	22%	0.223	S	C	*	.			trans	-96.7	0	-176.3	-65.6	173.4	0	0	0	111	A496 F498 P564 V781	A496-L783 HydrophobicContact CB-CD1 3.9Å; F498-L783 HydrophobicContact CE2-CD1 4.1Å; F498-L783 HydrophobicContact CZ-CD1 4.04Å; F498-L783 HydrophobicContact CZ-CD2 4.44Å; P564-L783 HydrophobicContact CB-CD2 3.92Å; P564-L783 HydrophobicContact CG-CD2 4.29Å; V781-L783 HydrophobicContact CB-CD2 4.16Å; V781-L783 HydrophobicContact CB-CG 4.31Å; V781-L783 HydrophobicContact CG1-CD2 3.62Å; V781-L783 HydrophobicContact CG1-CG 4.13Å; V781-L783 PolarHBondContact O-N 2.88Å

Retrieved 783 of 783 residues in 382.9 ms (Link to these results)

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