A0A087XZF6_POEFO Loading...

Gamma-aminobutyric acid receptor subunit beta-2

AlphaFold DB , UniProt , Accession A0A087XZF6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 528 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	V	50.2	Low	45.6	Very low	202 Å²	202	152.8 Å²	152.8	100%	1.224	78%	0.781	S	S	*	*				0	134.9	0	175.4	0	0	0	0	107.5
2	A	45.8	Very low	46.2	Very low	91 Å²	91	143.3 Å²	143.3	75%	0.752	75%	0.749	S	S	*	*			trans	88.3	35	173.3	0	0	0	0	0	121.1
3	M	42.4	Very low	47.1	Very low	198 Å²	198	141.2 Å²	141.2	98%	0.975	74%	0.737	S	S	*	*	S	Bend	trans	-145.6	24.6	164.3	-129	164.2	-171	0	0	115.8
4	G	40.4	Very low	47.7	Very low	69 Å²	69	138.9 Å²	138.9	71%	0.711	73%	0.725	S	S	*	*	S	Bend	trans	-124.3	-0.5	177.6	0	0	0	0	0	115.1
5	R	43.4	Very low	48.5	Very low	221 Å²	221	134.1 Å²	134.1	83%	0.834	70%	0.704	S	S	*	*	S	Bend	trans	-113.5	5.5	-167.3	-136	175.8	-161.5	164.8	4.8	115.6
6	I	45.5	Very low	49.2	Very low	126 Å²	126	134.9 Å²	134.9	65%	0.646	70%	0.7	S	S	*	*	S	Bend	trans	-102	-17	-178.4	-60.4	175.7	0	0	0	111.7	H10	I6-H10 PolarHBondContact O-CD2 2.85Å
7	R	42.9	Very low	49.9	Very low	225 Å²	225	131.2 Å²	131.2	85%	0.849	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	-14.1	-173.7	-140.4	171.7	94.9	161.5	5.1	115.5
8	E	45.3	Very low	50.5	Low	156 Å²	156	129.8 Å²	129.8	73%	0.729	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	-33.3	179.4	-73.2	-176.7	155.9	0	0	113.1	F11 G12	E8-F11 PolarHBondContact O-N 3.35Å; E8-G12 PolarHBondContact O-N 3Å
9	N	46.3	Very low	51.2	Low	119 Å²	119	130.4 Å²	130.4	64%	0.636	68%	0.678	S	S	*	*	H	α-helix	trans	-73.1	-30.7	-179.1	-76.8	-1.6	0	0	0	113.3	I13	N9-I13 WeakPolarHBondContact O-CD1 3.24Å; N9-I13 VanDerWaalsContact O-CG1 3.27Å; N9-I13 WeakPolarHBondContact O-CG1 3.27Å; N9-I13 PolarHBondContact O-N 3.11Å
10	H	49.3	Very low	51.6	Low	119 Å²	119	128.7 Å²	128.7	55%	0.551	67%	0.67	S	S	*	*	H	α-helix	trans	-73.3	-29.1	176.7	-78.9	-69.7	0	0	0	113.1	I6 L14	I6-H10 PolarHBondContact O-CD2 2.85Å; H10-L14 WeakPolarHBondContact O-CB 3.38Å; H10-L14 PolarHBondContact O-N 2.96Å; H10-L14 VanDerWaalsContact O-N 3.07Å
11	F	49.8	Very low	52	Low	155 Å²	155	126.3 Å²	126.3	68%	0.68	66%	0.661	S	S	*	*	H	α-helix	trans	-72	-39.8	178.4	-146.7	-98.3	0	0	0	111.1	E8 T15	E8-F11 PolarHBondContact O-N 3.35Å; F11-T15 HydrophobicContact CD1-CG2 4.19Å; F11-T15 HydrophobicContact CE1-CG2 4.24Å; F11-T15 WeakPolarHBondContact O-CB 3.38Å; F11-T15 VanDerWaalsContact O-CG2 3.29Å; F11-T15 WeakPolarHBondContact O-CG2 3.27Å; F11-T15 PolarHBondContact O-N 3.07Å; F11-T15 PolarHBondContact O-OG1 3.28Å
12	G	52.6	Low	52.4	Low	39 Å²	39	123 Å²	123	40%	0.402	63%	0.63	S	S	.	*	H	α-helix	trans	-66.3	-36.7	174.7	0	0	0	0	0	114	E8 T15 F16	E8-G12 PolarHBondContact O-N 3Å; G12-T15 WeakPolarHBondContact CA-OG1 3.38Å; G12-T15 PolarHBondContact O-OG1 3.43Å; G12-T15 VanDerWaalsContact O-OG1 3.11Å; G12-F16 VanDerWaalsContact O-CB 3.24Å; G12-F16 WeakPolarHBondContact O-CB 3.47Å; G12-F16 PolarHBondContact O-N 3.45Å
13	I	57.7	Low	53	Low	116 Å²	116	123.6 Å²	123.6	60%	0.595	62%	0.619	S	S	*	*	H	α-helix	trans	-74.4	-38.1	178.6	-64	165.8	0	0	0	111	N9 S17	N9-I13 WeakPolarHBondContact O-CD1 3.24Å; N9-I13 VanDerWaalsContact O-CG1 3.27Å; N9-I13 WeakPolarHBondContact O-CG1 3.27Å; N9-I13 PolarHBondContact O-N 3.11Å; I13-S17 VanDerWaalsContact O-CB 3.25Å; I13-S17 WeakPolarHBondContact O-CB 3.22Å; I13-S17 PolarHBondContact O-N 3.44Å
14	L	56.2	Low	53.3	Low	108 Å²	108	123.7 Å²	123.7	57%	0.565	61%	0.609	S	S	*	*	H	α-helix	trans	-66.9	-41.1	174.8	-89.8	156.9	0	0	0	112.2	H10 L18	H10-L14 WeakPolarHBondContact O-CB 3.38Å; H10-L14 PolarHBondContact O-N 2.96Å; H10-L14 VanDerWaalsContact O-N 3.07Å; L14-L18 VanDerWaalsContact O-CB 3.28Å; L14-L18 WeakPolarHBondContact O-CB 3.25Å; L14-L18 WeakPolarHBondContact O-CG 3.47Å; L14-L18 PolarHBondContact O-N 3.43Å
15	T	59.1	Low	53.8	Low	67 Å²	67	122.8 Å²	122.8	41%	0.411	60%	0.595	S	S	.	*	H	α-helix	trans	-70.9	-36.8	177.3	54.1	0	0	0	0	112.1	F11 G12 L18 F19	F11-T15 HydrophobicContact CD1-CG2 4.19Å; F11-T15 HydrophobicContact CE1-CG2 4.24Å; F11-T15 WeakPolarHBondContact O-CB 3.38Å; F11-T15 VanDerWaalsContact O-CG2 3.29Å; F11-T15 WeakPolarHBondContact O-CG2 3.27Å; F11-T15 PolarHBondContact O-N 3.07Å; F11-T15 PolarHBondContact O-OG1 3.28Å; G12-T15 WeakPolarHBondContact CA-OG1 3.38Å; G12-T15 PolarHBondContact O-OG1 3.43Å; G12-T15 VanDerWaalsContact O-OG1 3.11Å; T15-L18 PolarHBondContact O-N 2.8Å; T15-F19 WeakPolarHBondContact O-CB 3.37Å; T15-F19 PolarHBondContact O-N 3.3Å
16	F	60.4	Low	54	Low	147 Å²	147	118.1 Å²	118.1	65%	0.645	58%	0.582	S	S	*	*	H	α-helix	trans	-70.3	-37.1	175.9	-155	-98.2	0	0	0	112.2	G12 F19 L20	G12-F16 VanDerWaalsContact O-CB 3.24Å; G12-F16 WeakPolarHBondContact O-CB 3.47Å; G12-F16 PolarHBondContact O-N 3.45Å; F16-F19 PolarHBondContact O-N 3.43Å; F16-L20 HydrophobicContact CD1-CD1 3.5Å; F16-L20 VanDerWaalsContact CD1-CD1 3.5Å; F16-L20 HydrophobicContact CE1-CD1 3.31Å; F16-L20 HydrophobicContact CG-CD1 4.48Å; F16-L20 HydrophobicContact CZ-CD1 4.18Å; F16-L20 WeakPolarHBondContact O-CB 3.28Å; F16-L20 PolarHBondContact O-N 2.96Å
17	S	60.3	Low	53.9	Low	73 Å²	73	117 Å²	117	51%	0.51	59%	0.586	S	S	.	*	H	α-helix	trans	-71.4	-33.2	174.1	-155.6	0	0	0	0	112.1	I13 T21	I13-S17 VanDerWaalsContact O-CB 3.25Å; I13-S17 WeakPolarHBondContact O-CB 3.22Å; I13-S17 PolarHBondContact O-N 3.44Å; S17-T21 VanDerWaalsContact O-CG2 3.27Å; S17-T21 WeakPolarHBondContact O-CG2 3.46Å; S17-T21 PolarHBondContact O-N 2.82Å; S17-T21 PolarHBondContact O-OG1 2.82Å
18	L	61.3	Low	54	Low	106 Å²	106	111.3 Å²	111.3	56%	0.555	58%	0.576	S	S	*	*	H	α-helix	trans	-69.6	-36.5	170	-87.6	159.1	0	0	0	112	L14 T15 T21 F22	L14-L18 VanDerWaalsContact O-CB 3.28Å; L14-L18 WeakPolarHBondContact O-CB 3.25Å; L14-L18 WeakPolarHBondContact O-CG 3.47Å; L14-L18 PolarHBondContact O-N 3.43Å; T15-L18 PolarHBondContact O-N 2.8Å; L18-T21 WeakPolarHBondContact CA-OG1 3.27Å; L18-T21 PolarHBondContact O-OG1 2.98Å; L18-F22 VanDerWaalsContact O-CB 3.28Å; L18-F22 WeakPolarHBondContact O-CB 3.29Å; L18-F22 PolarHBondContact O-N 3.04Å
19	F	63.2	Low	54	Low	141 Å²	141	111.2 Å²	111.2	62%	0.618	57%	0.573	S	S	*	*	H	α-helix	trans	-71.3	-39.1	176.1	-126.3	-92.5	0	0	0	111.8	T15 F16 F22 I23	T15-F19 WeakPolarHBondContact O-CB 3.37Å; T15-F19 PolarHBondContact O-N 3.3Å; F16-F19 PolarHBondContact O-N 3.43Å; F19-F22 PolarHBondContact O-N 3.02Å; F19-I23 HydrophobicContact CD1-CD1 3.87Å; F19-I23 HydrophobicContact CD1-CG1 4.33Å; F19-I23 HydrophobicContact CE1-CD1 4.48Å; F19-I23 WeakPolarHBondContact O-CB 3.5Å; F19-I23 VanDerWaalsContact O-CG1 3.22Å; F19-I23 WeakPolarHBondContact O-CG1 3.36Å; F19-I23 PolarHBondContact O-N 2.9Å
20	L	60.2	Low	53.9	Low	96 Å²	96	110.7 Å²	110.7	50%	0.503	57%	0.57	S	S	.	*	H	α-helix	trans	-66.6	-40.3	172.9	-107	112.7	0	0	0	111.4	F16 F22 I23 W24	F16-L20 HydrophobicContact CD1-CD1 3.5Å; F16-L20 VanDerWaalsContact CD1-CD1 3.5Å; F16-L20 HydrophobicContact CE1-CD1 3.31Å; F16-L20 HydrophobicContact CG-CD1 4.48Å; F16-L20 HydrophobicContact CZ-CD1 4.18Å; F16-L20 WeakPolarHBondContact O-CB 3.28Å; F16-L20 PolarHBondContact O-N 2.96Å; L20-F22 VanDerWaalsContact C-N 3.33Å; L20-I23 PolarHBondContact O-N 2.93Å; L20-W24 VanDerWaalsContact O-CB 3.27Å; L20-W24 WeakPolarHBondContact O-CB 3.42Å; L20-W24 PolarHBondContact O-N 2.79Å
21	T	60.1	Low	53.9	Low	78 Å²	78	109.6 Å²	109.6	48%	0.479	57%	0.568	S	S	.	*	H	α-helix	trans	-70.9	-28.2	173.1	56.8	0	0	0	0	112.4	S17 L18 A25	S17-T21 VanDerWaalsContact O-CG2 3.27Å; S17-T21 WeakPolarHBondContact O-CG2 3.46Å; S17-T21 PolarHBondContact O-N 2.82Å; S17-T21 PolarHBondContact O-OG1 2.82Å; L18-T21 WeakPolarHBondContact CA-OG1 3.27Å; L18-T21 PolarHBondContact O-OG1 2.98Å; T21-A25 WeakPolarHBondContact O-CA 3.4Å; T21-A25 WeakPolarHBondContact O-CB 3.27Å; T21-A25 PolarHBondContact O-N 3.41Å
22	F	57.9	Low	53.7	Low	132 Å²	132	112.1 Å²	112.1	58%	0.579	58%	0.578	S	S	*	*	H	α-helix	trans	-70.4	-42.2	171.2	-128.5	-99.1	0	0	0	111.6	L18 F19 L20 A25 Q26	L18-F22 VanDerWaalsContact O-CB 3.28Å; L18-F22 WeakPolarHBondContact O-CB 3.29Å; L18-F22 PolarHBondContact O-N 3.04Å; F19-F22 PolarHBondContact O-N 3.02Å; L20-F22 VanDerWaalsContact C-N 3.33Å; F22-A25 CarbonylContact O-C 3.5Å; F22-A25 PolarHBondContact O-N 3.05Å; F22-Q26 VanDerWaalsContact CD1-OE1 3.24Å; F22-Q26 WeakPolarHBondContact O-CB 3.37Å; F22-Q26 PolarHBondContact O-N 2.79Å; F22-Q26 PolarHBondContact O-OE1 3.42Å
23	I	57.7	Low	53.6	Low	104 Å²	104	113.4 Å²	113.4	53%	0.533	58%	0.576	S	S	.	*	H	α-helix	trans	-67.9	-38	175.4	-69.8	168.6	0	0	0	110.6	F19 L20 Q26 S27	F19-I23 HydrophobicContact CD1-CD1 3.87Å; F19-I23 HydrophobicContact CD1-CG1 4.33Å; F19-I23 HydrophobicContact CE1-CD1 4.48Å; F19-I23 WeakPolarHBondContact O-CB 3.5Å; F19-I23 VanDerWaalsContact O-CG1 3.22Å; F19-I23 WeakPolarHBondContact O-CG1 3.36Å; F19-I23 PolarHBondContact O-N 2.9Å; L20-I23 PolarHBondContact O-N 2.93Å; I23-Q26 PolarHBondContact O-N 3.01Å; I23-S27 PolarHBondContact O-N 2.81Å
24	W	50.2	Low	53.4	Low	200 Å²	200	113 Å²	113	76%	0.758	58%	0.581	S	S	*	*	H	α-helix	trans	-69.4	-36.2	172	-129.6	68.2	0	0	0	111.8	L20 S27 V28	L20-W24 VanDerWaalsContact O-CB 3.27Å; L20-W24 WeakPolarHBondContact O-CB 3.42Å; L20-W24 PolarHBondContact O-N 2.79Å; W24-S27 PolarHBondContact O-N 3.42Å; W24-V28 VanDerWaalsContact O-CG2 3.27Å; W24-V28 WeakPolarHBondContact O-CG2 3.01Å; W24-V28 PolarHBondContact O-N 3.23Å
25	A	49.6	Very low	53.4	Low	50 Å²	50	111.3 Å²	111.3	41%	0.413	58%	0.578	S	S	.	*	H	α-helix	trans	-73	-27.8	174.4	0	0	0	0	0	112.9	T21 F22 K29	T21-A25 WeakPolarHBondContact O-CA 3.4Å; T21-A25 WeakPolarHBondContact O-CB 3.27Å; T21-A25 PolarHBondContact O-N 3.41Å; F22-A25 CarbonylContact O-C 3.5Å; F22-A25 PolarHBondContact O-N 3.05Å; A25-K29 PolarHBondContact O-N 3.07Å
26	Q	48.2	Very low	53.7	Low	123 Å²	123	111.6 Å²	111.6	58%	0.575	58%	0.577	S	S	*	*	H	α-helix	trans	-73	-35	170.1	-125.1	96.6	34.6	0	0	110.8	F22 I23 V28 K29	F22-Q26 VanDerWaalsContact CD1-OE1 3.24Å; F22-Q26 WeakPolarHBondContact O-CB 3.37Å; F22-Q26 PolarHBondContact O-N 2.79Å; F22-Q26 PolarHBondContact O-OE1 3.42Å; I23-Q26 PolarHBondContact O-N 3.01Å; Q26-V28 PolarHBondContact O-N 3.33Å; Q26-K29 PolarHBondContact O-N 2.67Å
27	S	43.3	Very low	54.4	Low	103 Å²	103	111.6 Å²	111.6	72%	0.72	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	-11.2	175.2	-164.2	0	0	0	0	113.6	I23 W24	I23-S27 PolarHBondContact O-N 2.81Å; W24-S27 PolarHBondContact O-N 3.42Å
28	V	44.4	Very low	55.6	Low	106 Å²	106	112.1 Å²	112.1	64%	0.642	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.4	-2.4	179.5	176.4	0	0	0	0	112.3	W24 Q26	W24-V28 VanDerWaalsContact O-CG2 3.27Å; W24-V28 WeakPolarHBondContact O-CG2 3.01Å; W24-V28 PolarHBondContact O-N 3.23Å; Q26-V28 PolarHBondContact O-N 3.33Å
29	K	45.3	Very low	56.9	Low	153 Å²	153	110.2 Å²	110.2	67%	0.665	57%	0.573	S	S	*	*			trans	-106.8	101.8	168.9	-78.9	179.8	176.1	179.1	0	109.2	A25 Q26	A25-K29 PolarHBondContact O-N 3.07Å; Q26-K29 PolarHBondContact O-N 2.67Å
30	D	46.1	Very low	58	Low	108 Å²	108	105.8 Å²	105.8	58%	0.578	56%	0.557	S	S	*	*			trans	164.9	73	132.7	-80.3	-21.1	0	0	0	112.8	D33	D30-D33 HydrophobicContact CB-CB 4.26Å
31	I	48.4	Very low	59.5	Low	96 Å²	96	108 Å²	108	49%	0.492	56%	0.562	S	S	.	*	S	Bend	trans	-120.8	-7.1	166.9	-71.5	131.1	0	0	0	112.2	Y107	I31-Y107 HydrophobicContact CB-CE2 4.12Å; I31-Y107 HydrophobicContact CD1-CE2 4.38Å; I31-Y107 WeakPolarHBondContact CD1-OH 3.39Å; I31-Y107 HydrophobicContact CG1-CE2 3.76Å; I31-Y107 WeakPolarHBondContact CG1-OH 3.47Å; I31-Y107 HydrophobicContact CG2-CD1 4.34Å; I31-Y107 HydrophobicContact CG2-CD2 3.74Å; I31-Y107 HydrophobicContact CG2-CE1 3.87Å; I31-Y107 HydrophobicContact CG2-CE2 3.21Å; I31-Y107 HydrophobicContact CG2-CG 4.31Å
32	K	44.5	Very low	61	Low	209 Å²	209	111 Å²	111	91%	0.909	57%	0.571	S	S	*	*	S	Bend	trans	-106	30.2	169.6	-75.5	-175	175.8	-179.3	0	111.5
33	D	52	Low	62.5	Low	65 Å²	65	104.9 Å²	104.9	35%	0.348	55%	0.545	S	S	.	.			trans	-85.2	125.5	-176.6	-147.5	26.7	0	0	0	109.3	D30 S35 N36	D30-D33 HydrophobicContact CB-CB 4.26Å; D33-S35 WeakPolarHBondContact CB-OG 3.46Å; D33-S35 PolarHBondContact O-N 3.33Å; D33-S35 PolarHBondContact OD2-OG 3.35Å; D33-N36 PolarHBondContact O-N 2.72Å
34	P	53.1	Low	64.1	Low	109 Å²	109	101.2 Å²	101.2	71%	0.708	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-59.2	-14.5	-176.4	-22.7	31.6	0	0	0	114.8	N36 M37	P34-N36 PolarHBondContact O-N 3.47Å; P34-M37 WeakPolarHBondContact O-CB 3.28Å; P34-M37 PolarHBondContact O-N 3.27Å
35	S	55.7	Low	66.2	Low	72 Å²	72	96 Å²	96	50%	0.503	51%	0.514	S	S	.	.	G	3₁₀ helix	trans	-63.3	-22	175.5	48.5	0	0	0	0	113.8	D33 P38	D33-S35 WeakPolarHBondContact CB-OG 3.46Å; D33-S35 PolarHBondContact O-N 3.33Å; D33-S35 PolarHBondContact OD2-OG 3.35Å; S35-P38 WeakPolarHBondContact O-CD 3.49Å
36	N	65.8	Low	68.2	Low	73 Å²	73	99.4 Å²	99.4	39%	0.39	52%	0.516	S	S	.	.	G	3₁₀ helix	trans	-92.3	-7.1	179	-75.5	-25.5	0	0	0	114.6	D33 P34 L39 V40	D33-N36 PolarHBondContact O-N 2.72Å; P34-N36 PolarHBondContact O-N 3.47Å; N36-L39 WeakPolarHBondContact O-CB 3.33Å; N36-L39 PolarHBondContact O-N 2.76Å; N36-V40 WeakPolarHBondContact O-CG2 3.4Å; N36-V40 PolarHBondContact O-N 2.81Å
37	M	76	Confident	70.3	Confident	146 Å²	146	94.5 Å²	94.5	72%	0.719	49%	0.494	S	S	*	.	H	α-helix	trans	-56.7	-44.9	176.9	-161	81.1	166.7	0	0	114	P34 L39 V40 K41	P34-M37 WeakPolarHBondContact O-CB 3.28Å; P34-M37 PolarHBondContact O-N 3.27Å; M37-L39 VanDerWaalsContact C-N 3.34Å; M37-L39 PolarHBondContact O-N 3.33Å; M37-V40 PolarHBondContact O-N 2.88Å; M37-K41 PolarHBondContact O-N 3.31Å; M37-K41 VanDerWaalsContact O-N 3.08Å
38	P	85.4	Confident	72.6	Confident	85 Å²	85	91.6 Å²	91.6	55%	0.552	47%	0.469	S	S	*	.	H	α-helix	trans	-65.4	-36.1	176.9	24.8	-33.9	0	0	0	112.4	S35 K41 E42	S35-P38 WeakPolarHBondContact O-CD 3.49Å; P38-K41 PolarHBondContact O-N 2.93Å; P38-E42 WeakPolarHBondContact O-CB 3.4Å; P38-E42 PolarHBondContact O-N 3.26Å
39	L	87.4	Confident	75	Confident	66 Å²	66	95 Å²	95	35%	0.346	48%	0.475	S	S	.	.	H	α-helix	trans	-63.4	-45	176.8	-179.7	67.6	0	0	0	111.4	N36 M37 K41 E42 T43	N36-L39 WeakPolarHBondContact O-CB 3.33Å; N36-L39 PolarHBondContact O-N 2.76Å; M37-L39 VanDerWaalsContact C-N 3.34Å; M37-L39 PolarHBondContact O-N 3.33Å; L39-K41 VanDerWaalsContact C-N 3.34Å; L39-K41 PolarHBondContact O-N 2.87Å; L39-E42 PolarHBondContact O-N 2.8Å; L39-T43 WeakPolarHBondContact O-CB 3.46Å; L39-T43 PolarHBondContact O-N 3.28Å; L39-T43 PolarHBondContact O-OG1 2.99Å
40	V	87.4	Confident	77.2	Confident	47 Å²	47	91.5 Å²	91.5	29%	0.285	48%	0.483	S	S	.	.	H	α-helix	trans	-61.4	-45.1	176.5	175.9	0	0	0	0	110.5	N36 M37 T43 V44 I105 L109	N36-V40 WeakPolarHBondContact O-CG2 3.4Å; N36-V40 PolarHBondContact O-N 2.81Å; M37-V40 PolarHBondContact O-N 2.88Å; V40-T43 PolarHBondContact O-N 3.39Å; V40-V44 WeakPolarHBondContact O-CG2 3.27Å; V40-V44 PolarHBondContact O-N 3.17Å; V40-I105 HydrophobicContact CB-CD1 4.41Å; V40-I105 HydrophobicContact CG2-CD1 3.93Å; V40-L109 HydrophobicContact CG1-CD2 4.04Å
41	K	90.5	Very high	79.6	Confident	142 Å²	142	87.9 Å²	87.9	62%	0.617	46%	0.462	S	S	*	.	H	α-helix	trans	-61.3	-50.5	178.4	-174.9	-173.8	173.5	-171	0	111.6	M37 P38 L39 T43 V44 D45	M37-K41 PolarHBondContact O-N 3.31Å; M37-K41 VanDerWaalsContact O-N 3.08Å; P38-K41 PolarHBondContact O-N 2.93Å; L39-K41 VanDerWaalsContact C-N 3.34Å; L39-K41 PolarHBondContact O-N 2.87Å; K41-T43 VanDerWaalsContact C-N 3.29Å; K41-T43 PolarHBondContact O-N 3.46Å; K41-V44 PolarHBondContact O-N 2.83Å; K41-D45 WeakPolarHBondContact O-CB 3.27Å; K41-D45 PolarHBondContact O-N 3.45Å
42	E	91.7	Very high	81.8	Confident	141 Å²	141	85.5 Å²	85.5	66%	0.659	45%	0.45	S	S	*	.	H	α-helix	trans	-61.3	-39.2	179.4	-174.7	177	-179.2	0	0	111.7	P38 L39 D45 R46	P38-E42 WeakPolarHBondContact O-CB 3.4Å; P38-E42 PolarHBondContact O-N 3.26Å; L39-E42 PolarHBondContact O-N 2.8Å; E42-D45 PolarHBondContact O-N 3.4Å; E42-R46 VanDerWaalsContact O-CB 3.27Å; E42-R46 WeakPolarHBondContact O-CB 3Å; E42-R46 PolarHBondContact O-N 3.08Å
43	T	90.8	Very high	84.3	Confident	4 Å²	4	79.5 Å²	79.5	3%	0.025	43%	0.427	C	S	.	.	H	α-helix	trans	-61.2	-48.7	175.7	-55.4	0	0	0	0	110.7	L39 V40 K41 R46 L47 Y102 I105	L39-T43 WeakPolarHBondContact O-CB 3.46Å; L39-T43 PolarHBondContact O-N 3.28Å; L39-T43 PolarHBondContact O-OG1 2.99Å; V40-T43 PolarHBondContact O-N 3.39Å; K41-T43 VanDerWaalsContact C-N 3.29Å; K41-T43 PolarHBondContact O-N 3.46Å; T43-R46 PolarHBondContact O-N 2.7Å; T43-L47 WeakPolarHBondContact O-CG 3.42Å; T43-L47 PolarHBondContact O-N 2.96Å; T43-Y102 HydrophobicContact CG2-CG 4.44Å; T43-I105 HydrophobicContact CG2-CD1 4.18Å
44	V	91.3	Very high	86.3	Confident	27 Å²	27	85.5 Å²	85.5	16%	0.164	45%	0.445	C	S	.	.	H	α-helix	trans	-64.4	-46.1	178.7	173.7	0	0	0	0	111.2	V40 K41 R46 L47 M48 L109 L111	V40-V44 WeakPolarHBondContact O-CG2 3.27Å; V40-V44 PolarHBondContact O-N 3.17Å; K41-V44 PolarHBondContact O-N 2.83Å; V44-R46 PolarHBondContact O-N 3.25Å; V44-L47 PolarHBondContact O-N 3.29Å; V44-L47 VanDerWaalsContact O-N 3.11Å; V44-M48 HydrophobicContact CG1-CG 4.41Å; V44-M48 WeakPolarHBondContact O-CG 3.48Å; V44-M48 PolarHBondContact O-N 3.03Å; V44-L109 HydrophobicContact CG2-CD1 4.47Å; V44-L111 HydrophobicContact CG2-CD2 4.1Å
45	D	92.7	Very high	88.3	Confident	92 Å²	92	83.5 Å²	83.5	49%	0.492	43%	0.428	S	S	.	.	H	α-helix	trans	-59.7	-37.4	178.3	-73.1	-19.9	0	0	0	111.4	K41 E42 M48 K49	K41-D45 WeakPolarHBondContact O-CB 3.27Å; K41-D45 PolarHBondContact O-N 3.45Å; E42-D45 PolarHBondContact O-N 3.4Å; D45-M48 PolarHBondContact O-N 3.18Å; D45-K49 WeakPolarHBondContact O-CB 2.85Å; D45-K49 PolarHBondContact O-N 2.79Å
46	R	92.6	Very high	90.3	Very high	121 Å²	121	80.5 Å²	80.5	46%	0.457	41%	0.406	S	S	.	.	H	α-helix	trans	-67.9	-40.9	174.9	-174.6	-173.8	65.1	-177.8	1.1	112.6	E42 T43 V44 M48 K49 E104	E42-R46 VanDerWaalsContact O-CB 3.27Å; E42-R46 WeakPolarHBondContact O-CB 3Å; E42-R46 PolarHBondContact O-N 3.08Å; T43-R46 PolarHBondContact O-N 2.7Å; V44-R46 PolarHBondContact O-N 3.25Å; R46-M48 VanDerWaalsContact C-N 3.28Å; R46-M48 PolarHBondContact O-N 3.26Å; R46-K49 PolarHBondContact O-N 2.84Å; R46-E104 IonicContact CZ-OE1 2.8Å; R46-E104 IonicContact CZ-OE2 3.51Å; R46-E104 IonicContact NH1-OE1 2.85Å; R46-E104 PolarHBondContact NH1-OE1 2.93Å; R46-E104 IonicContact NH2-OE1 3.6Å; R46-E104 PolarHBondContact NH2-OE1 2.97Å; R46-E104 IonicContact NH2-OE2 3.9Å; R46-E104 PolarHBondContact NH2-OE2 3.39Å
47	L	92.2	Very high	91.7	Very high	19 Å²	19	77.1 Å²	77.1	10%	0.099	39%	0.387	C	S	.	.	H	α-helix	trans	-63.3	-35.9	176.3	-68.7	176.8	0	0	0	111.8	T43 V44 L100 S101 Y102 L146	T43-L47 WeakPolarHBondContact O-CG 3.42Å; T43-L47 PolarHBondContact O-N 2.96Å; V44-L47 PolarHBondContact O-N 3.29Å; V44-L47 VanDerWaalsContact O-N 3.11Å; L47-L100 HydrophobicContact CB-CD2 4.44Å; L47-S101 WeakPolarHBondContact CD2-O 3.3Å; L47-Y102 HydrophobicContact CD1-CD1 4.2Å; L47-L146 HydrophobicContact CD1-CD1 4.43Å
48	M	92.3	Very high	92.7	Very high	42 Å²	42	73.3 Å²	73.3	21%	0.207	37%	0.37	C	S	.	.	H	α-helix	trans	-80.3	-20.1	179.3	-59.1	-54.9	-75.2	0	0	112.9	V44 D45 R46 G50 Y51 V115 Q118 L119	V44-M48 HydrophobicContact CG1-CG 4.41Å; V44-M48 WeakPolarHBondContact O-CG 3.48Å; V44-M48 PolarHBondContact O-N 3.03Å; D45-M48 PolarHBondContact O-N 3.18Å; R46-M48 VanDerWaalsContact C-N 3.28Å; R46-M48 PolarHBondContact O-N 3.26Å; M48-G50 PolarHBondContact O-N 3.36Å; M48-G50 VanDerWaalsContact O-N 3.08Å; M48-Y51 PolarHBondContact O-N 3.47Å; M48-V115 HydrophobicContact CE-CG2 4.08Å; M48-V115 HydrophobicContact SD-CG2 4.3Å; M48-Q118 HydrophobicContact CE-CB 3.33Å; M48-Q118 HydrophobicContact CE-CG 4.35Å; M48-Q118 VanDerWaalsContact CE-OE1 3.29Å; M48-L119 HydrophobicContact CE-CD2 4.12Å; M48-L119 HydrophobicContact SD-CD2 3.89Å
49	K	93.9	Very high	93.1	Very high	177 Å²	177	76.1 Å²	76.1	77%	0.77	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	108	-178.1	-172	178.2	-178.7	179.9	0	111.1	D45 R46	D45-K49 WeakPolarHBondContact O-CB 2.85Å; D45-K49 PolarHBondContact O-N 2.79Å; R46-K49 PolarHBondContact O-N 2.84Å
50	G	92.6	Very high	93.4	Very high	81 Å²	81	76.8 Å²	76.8	84%	0.835	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.5	13.2	179.7	0	0	0	0	0	114.1	M48 D52	M48-G50 PolarHBondContact O-N 3.36Å; M48-G50 VanDerWaalsContact O-N 3.08Å; G50-D52 PolarHBondContact O-N 2.68Å
51	Y	95.9	Very high	93.7	Very high	31 Å²	31	76.8 Å²	76.8	12%	0.122	41%	0.406	C	S	.	.			trans	-72.5	120.5	172.8	-171.5	-90.6	0	0	0	110.6	M48 I53 D97 R99 L100 L119 W120	M48-Y51 PolarHBondContact O-N 3.47Å; Y51-I53 HydrophobicContact CD1-CG2 3.96Å; Y51-I53 HydrophobicContact CE1-CG2 4.03Å; Y51-D97 WeakPolarHBondContact CE2-OD2 3.48Å; Y51-D97 PolarHBondContact OH-OD2 2.93Å; Y51-R99 HydrophobicContact CD2-CB 4.15Å; Y51-R99 HydrophobicContact CE2-CB 4.02Å; Y51-R99 PolarHBondContact OH-NH2 3.4Å; Y51-R99 VanDerWaalsContact OH-NH2 3.11Å; Y51-L100 HydrophobicContact CD2-CD2 4.01Å; Y51-L100 HydrophobicContact CE2-CD1 4.29Å; Y51-L100 HydrophobicContact CE2-CD2 3.81Å; Y51-L100 HydrophobicContact CE2-CG 3.94Å; Y51-L119 HydrophobicContact CD1-CD2 4.36Å; Y51-L119 HydrophobicContact CE1-CD2 3.98Å; Y51-L119 HydrophobicContact CE2-CD2 4.5Å; Y51-W120 PolarHBondContact OH-N 2.99Å
52	D	95.1	Very high	94	Very high	47 Å²	47	73 Å²	73	25%	0.251	40%	0.402	S	S	.	.			trans	-96.6	112.5	174.2	-165.5	-18.7	0	0	0	110.7	G50 R54 L55 R99	G50-D52 PolarHBondContact O-N 2.68Å; D52-R54 PolarHBondContact O-N 3.14Å; D52-R54 WeakPolarHBondContact OD1-CB 3.45Å; D52-R54 WeakPolarHBondContact OD1-CG 3.14Å; D52-R54 IonicContact OD1-CZ 3.41Å; D52-R54 PolarHBondContact OD1-N 3.3Å; D52-R54 IonicContact OD1-NE 3.21Å; D52-R54 PolarHBondContact OD1-NE 3.43Å; D52-R54 IonicContact OD1-NH2 2.81Å; D52-R54 IonicContact OD2-CZ 2.79Å; D52-R54 IonicContact OD2-NE 3.8Å; D52-R54 PolarHBondContact OD2-NE 2.69Å; D52-R54 IonicContact OD2-NH2 3.83Å; D52-R54 PolarHBondContact OD2-NH2 2.93Å; D52-L55 HydrophobicContact CB-CD1 4.39Å; D52-R99 PolarHBondContact O-NH1 2.82Å
53	I	95.4	Very high	94.3	Very high	82 Å²	82	68.3 Å²	68.3	42%	0.421	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-18.1	-179.9	64.5	175.2	0	0	0	113.5	Y51 L55 Q118	Y51-I53 HydrophobicContact CD1-CG2 3.96Å; Y51-I53 HydrophobicContact CE1-CG2 4.03Å; I53-L55 VanDerWaalsContact C-N 3.31Å; I53-Q118 WeakPolarHBondContact CG2-O 3.22Å
54	R	94.8	Very high	94.6	Very high	191 Å²	191	68.5 Å²	68.5	72%	0.721	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-15.7	-174.8	-59.6	170.7	-65.6	175.6	4.5	112.6	D52	D52-R54 PolarHBondContact O-N 3.14Å; D52-R54 WeakPolarHBondContact OD1-CB 3.45Å; D52-R54 WeakPolarHBondContact OD1-CG 3.14Å; D52-R54 IonicContact OD1-CZ 3.41Å; D52-R54 PolarHBondContact OD1-N 3.3Å; D52-R54 IonicContact OD1-NE 3.21Å; D52-R54 PolarHBondContact OD1-NE 3.43Å; D52-R54 IonicContact OD1-NH2 2.81Å; D52-R54 IonicContact OD2-CZ 2.79Å; D52-R54 IonicContact OD2-NE 3.8Å; D52-R54 PolarHBondContact OD2-NE 2.69Å; D52-R54 IonicContact OD2-NH2 3.83Å; D52-R54 PolarHBondContact OD2-NH2 2.93Å
55	L	95.9	Very high	94.9	Very high	67 Å²	67	69.3 Å²	69.3	35%	0.351	39%	0.393	S	S	.	.	S	Bend	trans	-105.5	128.8	-176	-61.9	176.7	0	0	0	110.4	D52 I53 F59 R99	D52-L55 HydrophobicContact CB-CD1 4.39Å; I53-L55 VanDerWaalsContact C-N 3.31Å; L55-F59 HydrophobicContact CD2-CD1 4.2Å; L55-F59 HydrophobicContact CD2-CD2 4.25Å; L55-F59 HydrophobicContact CD2-CE1 4.33Å; L55-F59 HydrophobicContact CD2-CE2 4.38Å; L55-F59 HydrophobicContact CD2-CG 4.15Å; L55-F59 HydrophobicContact CD2-CZ 4.42Å; L55-R99 PolarHBondContact O-NH1 2.85Å; L55-R99 PolarHBondContact O-NH2 3.22Å; L55-R99 VanDerWaalsContact O-NH2 3.14Å
56	R	96.4	Very high	95.1	Very high	10 Å²	10	64.9 Å²	64.9	4%	0.038	37%	0.37	C	S	.	.			trans	-62.3	154	169.8	70.4	170.4	-179	92.2	-13.6	111	D58 F59 A62 W120 Y187 D191	R56-D58 PolarHBondContact NH1-O 2.97Å; R56-F59 HydrophobicContact CG-CB 4.42Å; R56-F59 HydrophobicContact CG-CD2 4.18Å; R56-F59 PolarHBondContact O-N 2.83Å; R56-A62 PolarHBondContact NH1-O 3.18Å; R56-W120 HydrophobicContact CB-CH2 4.46Å; R56-W120 HydrophobicContact CB-CZ2 3.72Å; R56-Y187 HydrophobicContact CB-CE1 4.28Å; R56-Y187 HydrophobicContact CG-CE1 4.49Å; R56-D191 IonicContact CZ-OD1 3.29Å; R56-D191 IonicContact NE-OD1 3.02Å; R56-D191 PolarHBondContact NE-OD1 3.15Å; R56-D191 IonicContact NH2-OD1 3.15Å; R56-D191 PolarHBondContact NH2-OD1 3.09Å
57	P	96.4	Very high	95.4	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.006	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	143.9	169	-23	33.6	0	0	0	111.2	F59 V64 D97 W120	P57-F59 PolarHBondContact O-N 2.79Å; P57-V64 HydrophobicContact CB-CG2 4.34Å; P57-V64 HydrophobicContact CG-CG2 4.32Å; P57-D97 HydrophobicContact CB-CB 4.27Å; P57-D97 HydrophobicContact CG-CB 3.92Å; P57-W120 VanDerWaalsContact CD-CE3 3.44Å; P57-W120 HydrophobicContact CG-CE3 3.94Å; P57-W120 HydrophobicContact CG-CZ3 4.04Å
58	D	95.1	Very high	95.6	Very high	66 Å²	66	58.3 Å²	58.3	35%	0.353	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.1	37.6	-178.8	-65.9	-33.5	0	0	0	113.8	R56 G60 G61 K98	R56-D58 PolarHBondContact NH1-O 2.97Å; D58-G60 PolarHBondContact O-N 3.04Å; D58-G61 WeakPolarHBondContact O-CA 3.4Å; D58-G61 PolarHBondContact O-N 3.18Å; D58-K98 IonicContact OD1-NZ 2.79Å; D58-K98 PolarHBondContact OD1-NZ 3.21Å; D58-K98 IonicContact OD2-NZ 2.81Å; D58-K98 PolarHBondContact OD2-NZ 3.1Å
59	F	94.9	Very high	95.8	Very high	145 Å²	145	58.1 Å²	58.1	64%	0.636	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	127	175.8	-174.6	-101.2	0	0	0	111.9	L55 R56 P57 G61	L55-F59 HydrophobicContact CD2-CD1 4.2Å; L55-F59 HydrophobicContact CD2-CD2 4.25Å; L55-F59 HydrophobicContact CD2-CE1 4.33Å; L55-F59 HydrophobicContact CD2-CE2 4.38Å; L55-F59 HydrophobicContact CD2-CG 4.15Å; L55-F59 HydrophobicContact CD2-CZ 4.42Å; R56-F59 HydrophobicContact CG-CB 4.42Å; R56-F59 HydrophobicContact CG-CD2 4.18Å; R56-F59 PolarHBondContact O-N 2.83Å; P57-F59 PolarHBondContact O-N 2.79Å; F59-G61 VanDerWaalsContact C-N 3.32Å
60	G	93.1	Very high	96	Very high	79 Å²	79	49.7 Å²	49.7	81%	0.814	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.9	1.3	-173.3	0	0	0	0	0	114.8	D58	D58-G60 PolarHBondContact O-N 3.04Å
61	G	94.8	Very high	96.1	Very high	47 Å²	47	47.7 Å²	47.7	49%	0.485	28%	0.277	S	S	.	.	S	Bend	trans	-120.7	-146.4	175.7	0	0	0	0	0	112.7	D58 F59	D58-G61 WeakPolarHBondContact O-CA 3.4Å; D58-G61 PolarHBondContact O-N 3.18Å; F59-G61 VanDerWaalsContact C-N 3.32Å
62	A	96.3	Very high	96.2	Very high	64 Å²	64	46.2 Å²	46.2	53%	0.529	27%	0.272	S	S	.	.	S	Bend	trans	-60.4	154.9	-178.4	0	0	0	0	0	112.9	R56	R56-A62 PolarHBondContact NH1-O 3.18Å
63	P	97.2	Very high	96.2	Very high	41 Å²	41	46.2 Å²	46.2	27%	0.266	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-63.7	146.6	172.4	25.9	-33.7	0	0	0	111.1	A65 D191 E193	P63-A65 PolarHBondContact O-N 3.45Å; P63-D191 WeakPolarHBondContact CA-O 3.46Å; P63-E193 HydrophobicContact CB-CG 4.05Å; P63-E193 HydrophobicContact CG-CG 4.02Å; P63-E193 WeakPolarHBondContact CG-OE1 3.17Å
64	V	97.6	Very high	96.2	Very high	9 Å²	9	44.3 Å²	44.3	6%	0.055	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	120.1	175.8	65.8	0	0	0	0	109.9	P57 V66 W95 W120 D191 I192 E193	P57-V64 HydrophobicContact CB-CG2 4.34Å; P57-V64 HydrophobicContact CG-CG2 4.32Å; V64-V66 HydrophobicContact CG1-CG2 4.3Å; V64-V66 PolarHBondContact O-N 2.8Å; V64-W95 HydrophobicContact CG2-CB 4.08Å; V64-W120 HydrophobicContact CG1-CH2 3.77Å; V64-W120 HydrophobicContact CG1-CZ3 4.47Å; V64-D191 PolarHBondContact N-O 3.14Å; V64-I192 HydrophobicContact CG1-CB 4.21Å; V64-I192 HydrophobicContact CG1-CD1 4.13Å; V64-I192 HydrophobicContact CG1-CG1 3.75Å; V64-I192 WeakPolarHBondContact O-CA 3.35Å; V64-I192 WeakPolarHBondContact O-CG1 3.36Å; V64-E193 PolarHBondContact O-N 3.06Å
65	A	97.1	Very high	96.2	Very high	43 Å²	43	35.7 Å²	35.7	36%	0.355	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	115.6	175.9	0	0	0	0	0	110.1	P63 Y195	P63-A65 PolarHBondContact O-N 3.45Å; A65-Y195 HydrophobicContact CB-CD1 4.44Å; A65-Y195 HydrophobicContact CB-CE1 3.92Å
66	V	98.1	Very high	96	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	111.2	178.1	-173.2	0	0	0	0	109.8	V64 Q93 W95 P122 I192 E193 F194 Y195	V64-V66 HydrophobicContact CG1-CG2 4.3Å; V64-V66 PolarHBondContact O-N 2.8Å; V66-Q93 HydrophobicContact CG1-CB 4.12Å; V66-W95 HydrophobicContact CG2-CB 4.07Å; V66-P122 HydrophobicContact CG1-CG 4.09Å; V66-P122 HydrophobicContact CG2-CG 3.93Å; V66-I192 HydrophobicContact CG2-CD1 3.77Å; V66-I192 HydrophobicContact CG2-CG1 3.81Å; V66-E193 PolarHBondContact N-O 3.22Å; V66-F194 HydrophobicContact CB-CD1 3.93Å; V66-F194 HydrophobicContact CB-CE1 4.05Å; V66-F194 HydrophobicContact CG2-CE1 4.36Å; V66-Y195 VanDerWaalsContact C-CE1 3.49Å; V66-Y195 PolarHBondContact O-N 2.9Å
67	G	97.5	Very high	95.8	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.01	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	122.1	175.5	0	0	0	0	0	111	Q93 A94 Y195	G67-Q93 CarbonylContact O-C 3.45Å; G67-Q93 WeakPolarHBondContact O-CA 3.5Å; G67-A94 PolarHBondContact N-O 2.96Å; G67-A94 PolarHBondContact O-N 3.43Å; G67-Y195 VanDerWaalsContact CA-CE1 3.46Å; G67-Y195 WeakPolarHBondContact CA-O 3.39Å; G67-Y195 VanDerWaalsContact N-CE1 3.27Å
68	M	97	Very high	95.7	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	145.3	177.8	-60.3	-167.8	-174.5	0	0	111.7	F91 Q92 T124 I182 F194 Y195 R197 L236	M68-F91 HydrophobicContact CE-CZ 4.4Å; M68-F91 HydrophobicContact SD-CE2 3.9Å; M68-F91 HydrophobicContact SD-CZ 3.71Å; M68-Q92 WeakPolarHBondContact CA-O 3.39Å; M68-T124 HydrophobicContact CE-CG2 3.46Å; M68-T124 VanDerWaalsContact CE-CG2 3.46Å; M68-I182 HydrophobicContact CE-CG2 3.91Å; M68-I182 HydrophobicContact SD-CB 4.45Å; M68-I182 HydrophobicContact SD-CD1 4.38Å; M68-I182 HydrophobicContact SD-CG2 3.65Å; M68-F194 HydrophobicContact CE-CB 4.46Å; M68-F194 HydrophobicContact CE-CD1 3.62Å; M68-F194 HydrophobicContact CE-CD2 3.59Å; M68-F194 HydrophobicContact CE-CE1 3.53Å; M68-F194 HydrophobicContact CE-CE2 3.5Å; M68-F194 HydrophobicContact CE-CG 3.65Å; M68-F194 HydrophobicContact CE-CZ 3.48Å; M68-F194 VanDerWaalsContact CE-CZ 3.48Å; M68-Y195 PolarHBondContact N-O 2.76Å; M68-R197 WeakPolarHBondContact O-CB 3.45Å; M68-R197 PolarHBondContact O-N 2.89Å; M68-L236 HydrophobicContact CB-CD1 3.98Å; M68-L236 HydrophobicContact CG-CD1 3.98Å; M68-L236 HydrophobicContact SD-CD1 3.74Å
69	N	96.9	Very high	95.6	Very high	38 Å²	38	39.8 Å²	39.8	20%	0.203	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	137	176.1	-178.7	30.7	0	0	0	109.1	Q92 A202	N69-Q92 HydrophobicContact CB-CB 4.18Å; N69-Q92 PolarHBondContact N-O 3.47Å; N69-Q92 PolarHBondContact ND2-OE1 3.03Å; N69-Q92 PolarHBondContact O-N 2.81Å; N69-A202 PolarHBondContact OD1-O 2.85Å
70	I	97.1	Very high	95.5	Very high	0 Å²	0	34 Å²	34	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	124.1	-175.5	-56.7	-178.2	0	0	0	109.3	I72 M89 Y90 F91 I182 W196 A202 V203 S204 L238	I70-I72 HydrophobicContact CG2-CG1 4.04Å; I70-M89 HydrophobicContact CD1-SD 4.43Å; I70-M89 HydrophobicContact CG2-CB 3.99Å; I70-M89 HydrophobicContact CG2-CG 4.38Å; I70-M89 HydrophobicContact CG2-SD 3.7Å; I70-Y90 WeakPolarHBondContact CA-O 3.5Å; I70-F91 HydrophobicContact CD1-CD2 4.34Å; I70-F91 HydrophobicContact CD1-CE2 4.48Å; I70-F91 HydrophobicContact CG1-CD2 4.01Å; I70-F91 HydrophobicContact CG1-CE2 4.41Å; I70-I182 HydrophobicContact CD1-CD1 3.79Å; I70-W196 HydrophobicContact CD1-CH2 3.76Å; I70-W196 HydrophobicContact CD1-CZ3 3.72Å; I70-W196 HydrophobicContact CG1-CZ3 4Å; I70-A202 PolarHBondContact N-O 2.72Å; I70-V203 HydrophobicContact CB-CG2 4.21Å; I70-V203 CarbonylContact O-C 3.59Å; I70-V203 VanDerWaalsContact O-CA 3.26Å; I70-V203 WeakPolarHBondContact O-CA 3.33Å; I70-S204 PolarHBondContact O-N 3.3Å; I70-L238 HydrophobicContact CD1-CD2 4.23Å
71	D	96.4	Very high	95.4	Very high	39 Å²	39	34.2 Å²	34.2	21%	0.209	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	113.7	166	-173.7	32.5	0	0	0	109.2	M89 Y90 S204 R208	D71-M89 CarbonylContact O-C 3.55Å; D71-M89 WeakPolarHBondContact O-CA 3.5Å; D71-Y90 HydrophobicContact CB-CD2 4.33Å; D71-Y90 PolarHBondContact N-O 3.11Å; D71-Y90 PolarHBondContact O-N 3.21Å; D71-S204 VanDerWaalsContact CB-OG 3.31Å; D71-S204 WeakPolarHBondContact CB-OG 3.46Å; D71-S204 VanDerWaalsContact OD1-C 3.29Å; D71-S204 PolarHBondContact OD1-OG 2.96Å; D71-R208 IonicContact OD1-NH2 2.67Å; D71-R208 PolarHBondContact OD1-NH2 3.47Å; D71-R208 IonicContact OD2-NH2 3.35Å
72	I	96.6	Very high	95.3	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	127.1	-178.3	-55.2	175	0	0	0	108.9	I70 L87 V203 S204 V206 I209 L238 F240	I70-I72 HydrophobicContact CG2-CG1 4.04Å; I72-L87 HydrophobicContact CD1-CD1 4.37Å; I72-L87 HydrophobicContact CG1-CD1 4.37Å; I72-L87 HydrophobicContact CG2-CD1 3.48Å; I72-L87 VanDerWaalsContact CG2-CD1 3.48Å; I72-V203 HydrophobicContact CD1-CG1 4.01Å; I72-V203 HydrophobicContact CG1-CG1 4.32Å; I72-S204 PolarHBondContact N-O 2.96Å; I72-V206 HydrophobicContact CD1-CG2 3.96Å; I72-I209 HydrophobicContact CB-CD1 4Å; I72-I209 HydrophobicContact CD1-CD1 4.26Å; I72-I209 HydrophobicContact CG2-CD1 3.4Å; I72-I209 VanDerWaalsContact CG2-CD1 3.4Å; I72-I209 HydrophobicContact CG2-CG1 4.26Å; I72-L238 HydrophobicContact CD1-CD2 4.45Å; I72-F240 HydrophobicContact CD1-CE1 3.6Å; I72-F240 HydrophobicContact CD1-CZ 3.42Å; I72-F240 VanDerWaalsContact CD1-CZ 3.42Å
73	A	95.4	Very high	95.2	Very high	47 Å²	47	35.4 Å²	35.4	39%	0.388	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	-50.3	175.1	0	0	0	0	0	111	T88 Y90	A73-T88 HydrophobicContact CB-CG2 4.22Å; A73-T88 WeakPolarHBondContact CB-O 3.45Å; A73-T88 PolarHBondContact N-O 2.79Å; A73-Y90 HydrophobicContact CB-CE2 4.15Å
74	S	95.1	Very high	95.2	Very high	41 Å²	41	34.2 Å²	34.2	29%	0.287	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	154.6	-179.8	56.7	0	0	0	0	111.5	D76 T88	S74-D76 WeakPolarHBondContact CB-OD1 3.48Å; S74-D76 PolarHBondContact OG-OD1 2.97Å; S74-T88 PolarHBondContact N-O 3.31Å; S74-T88 PolarHBondContact O-N 3.17Å
75	I	95.5	Very high	95.2	Very high	10 Å²	10	33.8 Å²	33.8	5%	0.051	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	115.1	158.9	-62.9	172.4	0	0	0	105.5	V78 T86 L87 I209 L211 I216	I75-V78 HydrophobicContact CG2-CG2 4.13Å; I75-T86 CarbonylContact C-O 3.49Å; I75-T86 WeakPolarHBondContact CA-O 3.35Å; I75-L87 HydrophobicContact CD1-CD1 4.48Å; I75-L87 HydrophobicContact CG1-CD1 3.66Å; I75-I209 HydrophobicContact CB-CG2 4.21Å; I75-I209 HydrophobicContact CD1-CD1 4.25Å; I75-I209 HydrophobicContact CD1-CG2 4.3Å; I75-I209 HydrophobicContact CG1-CD1 4.29Å; I75-I209 HydrophobicContact CG1-CG2 4.25Å; I75-L211 HydrophobicContact CB-CD1 4.4Å; I75-L211 HydrophobicContact CB-CD2 3.91Å; I75-L211 HydrophobicContact CB-CG 4.45Å; I75-L211 HydrophobicContact CD1-CD1 4.33Å; I75-L211 HydrophobicContact CG2-CD1 4.3Å; I75-L211 HydrophobicContact CG2-CD2 3.82Å; I75-L211 WeakPolarHBondContact O-CD2 3.11Å; I75-I216 HydrophobicContact CD1-CD1 4.07Å
76	D	91.9	Very high	95.2	Very high	85 Å²	85	32.6 Å²	32.6	46%	0.455	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	-49	-165.9	-59.5	-34.7	0	0	0	111.3	S74 T86 T88	S74-D76 WeakPolarHBondContact CB-OD1 3.48Å; S74-D76 PolarHBondContact OG-OD1 2.97Å; D76-T86 HydrophobicContact CB-CG2 4.16Å; D76-T86 PolarHBondContact N-O 2.81Å; D76-T88 PolarHBondContact OD2-OG1 3.06Å
77	M	91.6	Very high	95.1	Very high	116 Å²	116	32.6 Å²	32.6	57%	0.571	19%	0.185	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-151.3	146.8	176.9	68	-170.8	-48.1	0	0	111.1	Y85 T86	M77-Y85 CarbonylContact O-C 3.12Å; M77-Y85 VanDerWaalsContact O-CA 3.31Å; M77-Y85 WeakPolarHBondContact O-CA 3.2Å; M77-T86 PolarHBondContact O-N 3.23Å
78	V	94.9	Very high	95.1	Very high	14 Å²	14	32.8 Å²	32.8	9%	0.085	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	117.7	171.1	-179	0	0	0	0	106.1	I75 M166 F214 L242	I75-V78 HydrophobicContact CG2-CG2 4.13Å; V78-M166 HydrophobicContact CG1-CE 3.49Å; V78-M166 VanDerWaalsContact CG1-CE 3.49Å; V78-F214 HydrophobicContact CB-CD2 4.12Å; V78-F214 HydrophobicContact CB-CE2 3.74Å; V78-F214 HydrophobicContact CB-CZ 4.39Å; V78-F214 HydrophobicContact CG1-CD2 4.42Å; V78-F214 HydrophobicContact CG1-CE2 3.76Å; V78-F214 HydrophobicContact CG1-CZ 3.9Å; V78-F214 HydrophobicContact CG2-CD2 4.25Å; V78-F214 HydrophobicContact CG2-CE2 4.35Å; V78-L242 HydrophobicContact CG2-CD1 4.36Å
79	S	93.9	Very high	95.1	Very high	16 Å²	16	32.8 Å²	32.8	11%	0.112	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	113.7	-177.6	-173.1	0	0	0	0	110.7	V81 N82 M83 D84	S79-V81 VanDerWaalsContact C-N 3.3Å; S79-N82 PolarHBondContact OG-N 2.84Å; S79-M83 WeakPolarHBondContact O-CA 3.44Å; S79-M83 PolarHBondContact O-N 3.08Å; S79-D84 WeakPolarHBondContact CB-OD1 3.42Å; S79-D84 PolarHBondContact N-O 2.89Å; S79-D84 PolarHBondContact O-N 3.42Å
80	E	91.8	Very high	95.1	Very high	23 Å²	23	35.7 Å²	35.7	11%	0.107	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-29.8	170.3	-58	83.9	174.2	0	0	111.5	M166 L168 F214 R244 P301	E80-M166 HydrophobicContact CG-SD 4.2Å; E80-L168 HydrophobicContact CB-CD1 4.31Å; E80-L168 HydrophobicContact CG-CD2 4.46Å; E80-F214 WeakPolarHBondContact OE1-CZ 3.07Å; E80-R244 IonicContact OE1-CZ 2.84Å; E80-R244 VanDerWaalsContact OE1-CZ 3.29Å; E80-R244 IonicContact OE1-NH1 3.99Å; E80-R244 PolarHBondContact OE1-NH1 2.8Å; E80-R244 IonicContact OE1-NH2 3.28Å; E80-R244 PolarHBondContact OE1-NH2 3.17Å; E80-P301 HydrophobicContact CB-CG 4.11Å; E80-P301 VanDerWaalsContact O-CG 3.3Å; E80-P301 WeakPolarHBondContact O-CG 3.41Å
81	V	91.1	Very high	95.1	Very high	84 Å²	84	35.8 Å²	35.8	51%	0.509	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-47.9	179.5	-179.3	0	0	0	0	110.7	S79	S79-V81 VanDerWaalsContact C-N 3.3Å
82	N	93	Very high	95.2	Very high	95 Å²	95	36.5 Å²	36.5	51%	0.508	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-8.3	-177.9	-61.5	-33	0	0	0	113.1	S79 D84 K130	S79-N82 PolarHBondContact OG-N 2.84Å; N82-D84 WeakPolarHBondContact CB-OD1 3.4Å; N82-D84 VanDerWaalsContact CB-OD2 3.28Å; N82-D84 WeakPolarHBondContact CB-OD2 3.27Å; N82-K130 PolarHBondContact O-NZ 3.25Å
83	M	94.2	Very high	95.2	Very high	41 Å²	41	36.6 Å²	36.6	20%	0.202	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	56	49.7	-174.5	-59.3	-75.7	-175.9	0	0	111.4	S79 C164 M166 L168 I303	S79-M83 WeakPolarHBondContact O-CA 3.44Å; S79-M83 PolarHBondContact O-N 3.08Å; M83-C164 CarbonylContact C-O 3.6Å; M83-C164 WeakPolarHBondContact CB-O 3.16Å; M83-C164 PolarHBondContact O-N 2.89Å; M83-C164 VanDerWaalsContact O-O 3.08Å; M83-M166 HydrophobicContact SD-CB 3.84Å; M83-M166 HydrophobicContact SD-CG 4.24Å; M83-L168 HydrophobicContact CE-CD1 3.87Å; M83-I303 HydrophobicContact CE-CD1 3.74Å; M83-I303 HydrophobicContact CE-CG1 4.4Å
84	D	96.8	Very high	95.3	Very high	15 Å²	15	34.5 Å²	34.5	8%	0.08	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	166.9	178.7	53.3	36.3	0	0	0	112.8	S79 N82 K130 T161 A162	S79-D84 WeakPolarHBondContact CB-OD1 3.42Å; S79-D84 PolarHBondContact N-O 2.89Å; S79-D84 PolarHBondContact O-N 3.42Å; N82-D84 WeakPolarHBondContact CB-OD1 3.4Å; N82-D84 VanDerWaalsContact CB-OD2 3.28Å; N82-D84 WeakPolarHBondContact CB-OD2 3.27Å; D84-K130 HydrophobicContact CB-CD 4.35Å; D84-K130 IonicContact OD2-NZ 2.72Å; D84-K130 PolarHBondContact OD2-NZ 2.66Å; D84-T161 HydrophobicContact CB-CG2 3.86Å; D84-A162 CarbonylContact C-O 3.53Å; D84-A162 VanDerWaalsContact CA-O 3.24Å; D84-A162 WeakPolarHBondContact CA-O 3.16Å; D84-A162 VanDerWaalsContact CB-O 3.25Å; D84-A162 WeakPolarHBondContact CB-O 3.5Å
85	Y	96.9	Very high	95.4	Very high	1 Å²	1	32.8 Å²	32.8	0%	0.004	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	146.5	172.4	68.7	-77	0	0	0	110.1	M77 L87 T161 A162 C164 C178 T179 L180 F240	M77-Y85 CarbonylContact O-C 3.12Å; M77-Y85 VanDerWaalsContact O-CA 3.31Å; M77-Y85 WeakPolarHBondContact O-CA 3.2Å; Y85-L87 HydrophobicContact CD2-CB 4.33Å; Y85-L87 HydrophobicContact CE2-CB 4.12Å; Y85-T161 CarbonylContact O-C 3.45Å; Y85-T161 WeakPolarHBondContact O-CA 3.23Å; Y85-A162 HydrophobicContact CD1-CB 4.31Å; Y85-A162 WeakPolarHBondContact CD1-O 3.46Å; Y85-A162 HydrophobicContact CE1-CB 3.68Å; Y85-A162 HydrophobicContact CE2-CB 4.45Å; Y85-A162 PolarHBondContact N-O 3.1Å; Y85-A162 PolarHBondContact O-N 2.99Å; Y85-C164 HydrophobicContact CD1-CB 3.78Å; Y85-C164 HydrophobicContact CE1-CB 4.03Å; Y85-C178 HydrophobicContact CD1-CB 3.92Å; Y85-C178 HydrophobicContact CE1-CB 3.68Å; Y85-T179 VanDerWaalsContact OH-C 3.26Å; Y85-T179 PolarHBondContact OH-O 2.84Å; Y85-L180 PolarHBondContact OH-N 3.28Å; Y85-F240 HydrophobicContact CE2-CE2 4.49Å
86	T	96.9	Very high	95.5	Very high	17 Å²	17	39.1 Å²	39.1	10%	0.104	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	123.2	178.7	-60	0	0	0	0	109.7	I75 D76 M77 T159 T160 T161	I75-T86 CarbonylContact C-O 3.49Å; I75-T86 WeakPolarHBondContact CA-O 3.35Å; D76-T86 HydrophobicContact CB-CG2 4.16Å; D76-T86 PolarHBondContact N-O 2.81Å; M77-T86 PolarHBondContact O-N 3.23Å; T86-T159 HydrophobicContact CG2-CG2 3.58Å; T86-T160 WeakPolarHBondContact CA-O 3.18Å; T86-T161 PolarHBondContact OG1-OG1 2.88Å; T86-T161 VanDerWaalsContact OG1-OG1 3.08Å
87	L	96.6	Very high	95.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	128.2	-177.8	176.7	71.5	0	0	0	109.4	I72 I75 Y85 M89 T159 T160 L180	I72-L87 HydrophobicContact CD1-CD1 4.37Å; I72-L87 HydrophobicContact CG1-CD1 4.37Å; I72-L87 HydrophobicContact CG2-CD1 3.48Å; I72-L87 VanDerWaalsContact CG2-CD1 3.48Å; I75-L87 HydrophobicContact CD1-CD1 4.48Å; I75-L87 HydrophobicContact CG1-CD1 3.66Å; Y85-L87 HydrophobicContact CD2-CB 4.33Å; Y85-L87 HydrophobicContact CE2-CB 4.12Å; L87-M89 HydrophobicContact CD2-SD 3.83Å; L87-M89 HydrophobicContact CG-SD 4.49Å; L87-T159 WeakPolarHBondContact O-CA 3.46Å; L87-T160 HydrophobicContact CB-CG2 4.34Å; L87-T160 PolarHBondContact N-O 2.83Å; L87-T160 PolarHBondContact O-N 2.83Å; L87-L180 HydrophobicContact CD2-CD2 3.91Å
88	T	97	Very high	95.9	Very high	6 Å²	6	35.1 Å²	35.1	4%	0.037	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	123.4	170.1	-62.5	0	0	0	0	109.6	A73 S74 D76 I158 T159	A73-T88 HydrophobicContact CB-CG2 4.22Å; A73-T88 WeakPolarHBondContact CB-O 3.45Å; A73-T88 PolarHBondContact N-O 2.79Å; S74-T88 PolarHBondContact N-O 3.31Å; S74-T88 PolarHBondContact O-N 3.17Å; D76-T88 PolarHBondContact OD2-OG1 3.06Å; T88-I158 WeakPolarHBondContact CA-O 3.29Å; T88-T159 WeakPolarHBondContact CG2-OG1 3.02Å; T88-T159 WeakPolarHBondContact OG1-CG2 3.4Å; T88-T159 PolarHBondContact OG1-OG1 3.2Å
89	M	97.1	Very high	95.9	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	156.7	-173.8	62.2	179.7	178.5	0	0	112.9	I70 D71 L87 F91 F126 I158 T160 L180	I70-M89 HydrophobicContact CD1-SD 4.43Å; I70-M89 HydrophobicContact CG2-CB 3.99Å; I70-M89 HydrophobicContact CG2-CG 4.38Å; I70-M89 HydrophobicContact CG2-SD 3.7Å; D71-M89 CarbonylContact O-C 3.55Å; D71-M89 WeakPolarHBondContact O-CA 3.5Å; L87-M89 HydrophobicContact CD2-SD 3.83Å; L87-M89 HydrophobicContact CG-SD 4.49Å; M89-F91 HydrophobicContact CE-CB 4.45Å; M89-F126 HydrophobicContact CE-CE1 3.57Å; M89-F126 HydrophobicContact CE-CE2 4.05Å; M89-F126 HydrophobicContact CE-CZ 3.26Å; M89-I158 PolarHBondContact N-O 2.93Å; M89-I158 PolarHBondContact O-N 3.39Å; M89-T160 HydrophobicContact CE-CG2 4.2Å; M89-L180 HydrophobicContact CE-CD2 3.87Å; M89-L180 HydrophobicContact SD-CD2 3.92Å
90	Y	97.4	Very high	96	Very high	99 Å²	99	37.8 Å²	37.8	39%	0.388	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	106.9	162.8	-59.6	-83.9	0	0	0	108.3	I70 D71 A73 L156 R157	I70-Y90 WeakPolarHBondContact CA-O 3.5Å; D71-Y90 HydrophobicContact CB-CD2 4.33Å; D71-Y90 PolarHBondContact N-O 3.11Å; D71-Y90 PolarHBondContact O-N 3.21Å; A73-Y90 HydrophobicContact CB-CE2 4.15Å; Y90-L156 CarbonylContact C-O 3.57Å; Y90-L156 WeakPolarHBondContact CA-O 3.35Å; Y90-R157 HydrophobicContact CD1-CB 4.13Å; Y90-R157 HydrophobicContact CD1-CG 4.08Å; Y90-R157 HydrophobicContact CE1-CB 4.18Å; Y90-R157 HydrophobicContact CE1-CG 3.87Å
91	F	97.8	Very high	96.1	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.009	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	116.6	179.3	-176.2	-125.7	0	0	0	109.4	M68 I70 M89 Q93 F126 G155 L156 I158 I182	M68-F91 HydrophobicContact CE-CZ 4.4Å; M68-F91 HydrophobicContact SD-CE2 3.9Å; M68-F91 HydrophobicContact SD-CZ 3.71Å; I70-F91 HydrophobicContact CD1-CD2 4.34Å; I70-F91 HydrophobicContact CD1-CE2 4.48Å; I70-F91 HydrophobicContact CG1-CD2 4.01Å; I70-F91 HydrophobicContact CG1-CE2 4.41Å; M89-F91 HydrophobicContact CE-CB 4.45Å; F91-Q93 HydrophobicContact CD1-CG 4.49Å; F91-Q93 HydrophobicContact CE1-CG 3.97Å; F91-Q93 HydrophobicContact CZ-CG 4.09Å; F91-F126 HydrophobicContact CD1-CZ 4.33Å; F91-F126 HydrophobicContact CE1-CZ 4.36Å; F91-F126 HydrophobicContact CG-CZ 4.46Å; F91-G155 CarbonylContact O-C 3.55Å; F91-G155 WeakPolarHBondContact O-CA 3.38Å; F91-L156 HydrophobicContact CB-CB 4.43Å; F91-L156 HydrophobicContact CD1-CD1 4.37Å; F91-L156 PolarHBondContact N-O 3.45Å; F91-L156 PolarHBondContact O-N 3.03Å; F91-I158 HydrophobicContact CB-CD1 4.06Å; F91-I158 HydrophobicContact CD1-CD1 4.04Å; F91-I158 HydrophobicContact CG-CD1 4.41Å; F91-I182 HydrophobicContact CE2-CD1 4.03Å; F91-I182 HydrophobicContact CZ-CG2 4.07Å
92	Q	97.1	Very high	96.2	Very high	54 Å²	54	35.8 Å²	35.8	25%	0.252	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	138.7	-178.8	-64.2	178.7	2.9	0	0	110.7	M68 N69 L153 Y154	M68-Q92 WeakPolarHBondContact CA-O 3.39Å; N69-Q92 HydrophobicContact CB-CB 4.18Å; N69-Q92 PolarHBondContact N-O 3.47Å; N69-Q92 PolarHBondContact ND2-OE1 3.03Å; N69-Q92 PolarHBondContact O-N 2.81Å; Q92-L153 HydrophobicContact CB-CD1 4.37Å; Q92-Y154 CarbonylContact C-O 3.57Å; Q92-Y154 WeakPolarHBondContact CA-O 3.28Å
93	Q	97.8	Very high	96	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.009	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	138.2	175.4	-60.6	178.1	42	0	0	108.7	V66 G67 F91 W95 T124 Y154	V66-Q93 HydrophobicContact CG1-CB 4.12Å; G67-Q93 CarbonylContact O-C 3.45Å; G67-Q93 WeakPolarHBondContact O-CA 3.5Å; F91-Q93 HydrophobicContact CD1-CG 4.49Å; F91-Q93 HydrophobicContact CE1-CG 3.97Å; F91-Q93 HydrophobicContact CZ-CG 4.09Å; Q93-W95 HydrophobicContact CB-CE3 4.3Å; Q93-W95 HydrophobicContact CB-CZ3 4.09Å; Q93-T124 PolarHBondContact NE2-OG1 3.28Å; Q93-Y154 PolarHBondContact N-O 3Å; Q93-Y154 PolarHBondContact O-N 2.79Å
94	A	97.6	Very high	95.5	Very high	3 Å²	3	37.9 Å²	37.9	3%	0.025	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	125.4	176.1	0	0	0	0	0	109.9	G67 V152 L153	G67-A94 PolarHBondContact N-O 2.96Å; G67-A94 PolarHBondContact O-N 3.43Å; A94-V152 VanDerWaalsContact CA-O 3.28Å; A94-V152 WeakPolarHBondContact CA-O 3.33Å; A94-L153 HydrophobicContact CB-CD1 4.3Å
95	W	97.7	Very high	94.9	Very high	6 Å²	6	38.1 Å²	38.1	2%	0.023	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	168	173.6	68.2	95.1	0	0	0	109.7	V64 V66 Q93 W120 V121 P122 T151 V152 Y154	V64-W95 HydrophobicContact CG2-CB 4.08Å; V66-W95 HydrophobicContact CG2-CB 4.07Å; Q93-W95 HydrophobicContact CB-CE3 4.3Å; Q93-W95 HydrophobicContact CB-CZ3 4.09Å; W95-W120 HydrophobicContact CD2-CZ3 4.43Å; W95-W120 HydrophobicContact CG-CZ3 4.36Å; W95-W120 VanDerWaalsContact CZ2-O 3.3Å; W95-W120 WeakPolarHBondContact CZ2-O 3.41Å; W95-W120 AromaticContact NE1-CE3 3.88Å; W95-W120 AromaticContact NE1-CZ3 3.89Å; W95-V121 HydrophobicContact CH2-CB 4.42Å; W95-V121 HydrophobicContact CH2-CG1 4.08Å; W95-V121 HydrophobicContact CZ2-CG1 4.46Å; W95-P122 HydrophobicContact CD2-CG 4.4Å; W95-P122 HydrophobicContact CE3-CG 4.05Å; W95-P122 HydrophobicContact CZ3-CG 4.22Å; W95-T151 CarbonylContact O-C 3.51Å; W95-T151 WeakPolarHBondContact O-CA 3.34Å; W95-V152 HydrophobicContact CD2-CB 4.22Å; W95-V152 HydrophobicContact CH2-CB 4.39Å; W95-V152 HydrophobicContact CH2-CG1 3.88Å; W95-V152 HydrophobicContact CZ2-CB 3.87Å; W95-V152 HydrophobicContact CZ2-CG1 3.62Å; W95-V152 HydrophobicContact CZ2-CG2 4.42Å; W95-V152 PolarHBondContact N-O 3.11Å; W95-V152 VanDerWaalsContact N-O 3.17Å; W95-V152 PolarHBondContact O-N 3.01Å; W95-Y154 HydrophobicContact CH2-CD1 4.44Å; W95-Y154 HydrophobicContact CH2-CG 4.24Å; W95-Y154 VanDerWaalsContact CZ3-CB 3.49Å; W95-Y154 HydrophobicContact CZ3-CD1 4.4Å; W95-Y154 HydrophobicContact CZ3-CG 4.34Å
96	R	97.1	Very high	94.2	Very high	142 Å²	142	42.2 Å²	42.2	54%	0.536	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	122	177.5	-169.5	176	-177.6	-175.8	-1.2	110.3	D149	R96-D149 PolarHBondContact NE-O 3.29Å; R96-D149 PolarHBondContact NH2-O 3.35Å
97	D	97.1	Very high	93.7	Very high	2 Å²	2	47 Å²	47	1%	0.011	23%	0.234	C	C	.	.			trans	-117	108.9	171.7	-170.6	-14.5	0	0	0	109.6	Y51 P57 R99 L100 G150 V152	Y51-D97 WeakPolarHBondContact CE2-OD2 3.48Å; Y51-D97 PolarHBondContact OH-OD2 2.93Å; P57-D97 HydrophobicContact CB-CB 4.27Å; P57-D97 HydrophobicContact CG-CB 3.92Å; D97-R99 PolarHBondContact O-N 3.22Å; D97-R99 VanDerWaalsContact OD1-CB 3.27Å; D97-R99 WeakPolarHBondContact OD1-CB 3.4Å; D97-R99 WeakPolarHBondContact OD1-CG 3.34Å; D97-R99 IonicContact OD1-CZ 2.67Å; D97-R99 PolarHBondContact OD1-N 3.34Å; D97-R99 IonicContact OD1-NE 3.21Å; D97-R99 PolarHBondContact OD1-NE 3.07Å; D97-R99 IonicContact OD1-NH2 3.83Å; D97-R99 IonicContact OD2-CZ 2.79Å; D97-R99 IonicContact OD2-NE 2.79Å; D97-R99 PolarHBondContact OD2-NE 2.88Å; D97-R99 IonicContact OD2-NH2 2.81Å; D97-R99 PolarHBondContact OD2-NH2 2.86Å; D97-L100 HydrophobicContact CB-CB 4.5Å; D97-L100 HydrophobicContact CB-CD1 4.11Å; D97-L100 HydrophobicContact CB-CG 4.32Å; D97-L100 PolarHBondContact O-N 3.47Å; D97-L100 VanDerWaalsContact O-N 3.08Å; D97-G150 PolarHBondContact N-O 2.75Å; D97-G150 WeakPolarHBondContact O-CA 3.34Å; D97-V152 HydrophobicContact CB-CG2 4.42Å
98	K	94.9	Very high	93.5	Very high	116 Å²	116	50.9 Å²	50.9	50%	0.504	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-62.1	-23	-179.4	-63.3	173.9	-170.7	142.5	0	112.6	D58 L100 S101	D58-K98 IonicContact OD1-NZ 2.79Å; D58-K98 PolarHBondContact OD1-NZ 3.21Å; D58-K98 IonicContact OD2-NZ 2.81Å; D58-K98 PolarHBondContact OD2-NZ 3.1Å; K98-L100 PolarHBondContact O-N 2.88Å; K98-S101 PolarHBondContact O-OG 3.22Å; K98-S101 VanDerWaalsContact O-OG 3.07Å
99	R	95.3	Very high	93.2	Very high	84 Å²	84	51.5 Å²	51.5	32%	0.317	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-69.8	-23	178	-58	172.8	-67.9	-177.5	-0.4	112.2	Y51 D52 L55 D97	Y51-R99 HydrophobicContact CD2-CB 4.15Å; Y51-R99 HydrophobicContact CE2-CB 4.02Å; Y51-R99 PolarHBondContact OH-NH2 3.4Å; Y51-R99 VanDerWaalsContact OH-NH2 3.11Å; D52-R99 PolarHBondContact O-NH1 2.82Å; L55-R99 PolarHBondContact O-NH1 2.85Å; L55-R99 PolarHBondContact O-NH2 3.22Å; L55-R99 VanDerWaalsContact O-NH2 3.14Å; D97-R99 PolarHBondContact O-N 3.22Å; D97-R99 VanDerWaalsContact OD1-CB 3.27Å; D97-R99 WeakPolarHBondContact OD1-CB 3.4Å; D97-R99 WeakPolarHBondContact OD1-CG 3.34Å; D97-R99 IonicContact OD1-CZ 2.67Å; D97-R99 PolarHBondContact OD1-N 3.34Å; D97-R99 IonicContact OD1-NE 3.21Å; D97-R99 PolarHBondContact OD1-NE 3.07Å; D97-R99 IonicContact OD1-NH2 3.83Å; D97-R99 IonicContact OD2-CZ 2.79Å; D97-R99 IonicContact OD2-NE 2.79Å; D97-R99 PolarHBondContact OD2-NE 2.88Å; D97-R99 IonicContact OD2-NH2 2.81Å; D97-R99 PolarHBondContact OD2-NH2 2.86Å
100	L	94.9	Very high	93.1	Very high	2 Å²	2	55.6 Å²	55.6	1%	0.01	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-100.7	13.5	-176.9	-60.9	174.8	0	0	0	113	L47 Y51 D97 K98 L119 L146 V152	L47-L100 HydrophobicContact CB-CD2 4.44Å; Y51-L100 HydrophobicContact CD2-CD2 4.01Å; Y51-L100 HydrophobicContact CE2-CD1 4.29Å; Y51-L100 HydrophobicContact CE2-CD2 3.81Å; Y51-L100 HydrophobicContact CE2-CG 3.94Å; D97-L100 HydrophobicContact CB-CB 4.5Å; D97-L100 HydrophobicContact CB-CD1 4.11Å; D97-L100 HydrophobicContact CB-CG 4.32Å; D97-L100 PolarHBondContact O-N 3.47Å; D97-L100 VanDerWaalsContact O-N 3.08Å; K98-L100 PolarHBondContact O-N 2.88Å; L100-L119 HydrophobicContact CD1-CD1 4.45Å; L100-L119 HydrophobicContact CD1-CD2 3.9Å; L100-L119 HydrophobicContact CD2-CD2 3.84Å; L100-L146 HydrophobicContact CB-CD2 4.48Å; L100-L146 HydrophobicContact CD1-CD2 4.15Å; L100-V152 HydrophobicContact CD1-CG2 3.74Å
101	S	94.3	Very high	92.8	Very high	57 Å²	57	52.6 Å²	52.6	40%	0.399	27%	0.274	S	S	.	.			trans	-76.6	140.6	176.5	65.8	0	0	0	0	111.9	L47 K98	L47-S101 WeakPolarHBondContact CD2-O 3.3Å; K98-S101 PolarHBondContact O-OG 3.22Å; K98-S101 VanDerWaalsContact O-OG 3.07Å
102	Y	92.9	Very high	92.6	Very high	7 Å²	7	57.1 Å²	57.1	3%	0.027	30%	0.298	C	S	.	.			trans	-137.3	146.3	177.2	57.8	-88.8	0	0	0	110.3	T43 L47 I105 Y107 L109 L146 H147 P148	T43-Y102 HydrophobicContact CG2-CG 4.44Å; L47-Y102 HydrophobicContact CD1-CD1 4.2Å; Y102-I105 HydrophobicContact CD2-CB 3.95Å; Y102-I105 HydrophobicContact CE2-CB 3.88Å; Y102-I105 HydrophobicContact CE2-CG2 4.39Å; Y102-I105 VanDerWaalsContact CE2-O 3.3Å; Y102-I105 WeakPolarHBondContact CE2-O 3.45Å; Y102-Y107 PolarHBondContact OH-O 2.94Å; Y102-L109 HydrophobicContact CD1-CD1 4.41Å; Y102-L109 HydrophobicContact CE1-CD1 4.02Å; Y102-L109 HydrophobicContact CE1-CG 4.42Å; Y102-L109 HydrophobicContact CE2-CD1 4.15Å; Y102-L109 HydrophobicContact CE2-CG 4.29Å; Y102-L109 PolarHBondContact OH-N 3.01Å; Y102-L146 HydrophobicContact CE1-CB 4.01Å; Y102-L146 PolarHBondContact OH-O 3.38Å; Y102-L146 VanDerWaalsContact OH-O 3.14Å; Y102-H147 WeakPolarHBondContact CE1-O 3.33Å; Y102-P148 HydrophobicContact CD2-CB 4.16Å; Y102-P148 HydrophobicContact CE2-CB 3.79Å; Y102-P148 PolarHBondContact N-O 2.93Å; Y102-P148 WeakPolarHBondContact O-CB 3.39Å
103	S	89	Confident	92.4	Very high	108 Å²	108	55.3 Å²	55.3	76%	0.755	29%	0.29	S	S	*	.	S	Bend	trans	-116.2	-14.7	-176.2	48.9	0	0	0	0	113.3	I105	S103-I105 VanDerWaalsContact C-N 3.29Å; S103-I105 PolarHBondContact O-N 3.4Å
104	E	83.1	Confident	92.1	Very high	73 Å²	73	63.6 Å²	63.6	34%	0.341	32%	0.321	S	S	.	.	S	Bend	trans	-74.6	-20.4	-173.8	-62.4	77.5	-172.9	0	0	113	R46	R46-E104 IonicContact CZ-OE1 2.8Å; R46-E104 IonicContact CZ-OE2 3.51Å; R46-E104 IonicContact NH1-OE1 2.85Å; R46-E104 PolarHBondContact NH1-OE1 2.93Å; R46-E104 IonicContact NH2-OE1 3.6Å; R46-E104 PolarHBondContact NH2-OE1 2.97Å; R46-E104 IonicContact NH2-OE2 3.9Å; R46-E104 PolarHBondContact NH2-OE2 3.39Å
105	I	84.5	Confident	91.9	Very high	19 Å²	19	64.5 Å²	64.5	10%	0.097	33%	0.326	C	S	.	.			trans	-128.1	125.6	-170.9	-56.6	163.4	0	0	0	108.8	V40 T43 Y102 S103 Y107 L109	V40-I105 HydrophobicContact CB-CD1 4.41Å; V40-I105 HydrophobicContact CG2-CD1 3.93Å; T43-I105 HydrophobicContact CG2-CD1 4.18Å; Y102-I105 HydrophobicContact CD2-CB 3.95Å; Y102-I105 HydrophobicContact CE2-CB 3.88Å; Y102-I105 HydrophobicContact CE2-CG2 4.39Å; Y102-I105 VanDerWaalsContact CE2-O 3.3Å; Y102-I105 WeakPolarHBondContact CE2-O 3.45Å; S103-I105 VanDerWaalsContact C-N 3.29Å; S103-I105 PolarHBondContact O-N 3.4Å; I105-Y107 VanDerWaalsContact C-N 3.29Å; I105-Y107 HydrophobicContact CG2-CD2 4.26Å; I105-Y107 PolarHBondContact O-N 3.3Å; I105-L109 HydrophobicContact CD1-CD1 4.14Å; I105-L109 HydrophobicContact CD1-CD2 4.29Å; I105-L109 HydrophobicContact CG2-CD2 4.37Å
106	A	82.8	Confident	91.8	Very high	87 Å²	87	64.4 Å²	64.4	72%	0.719	33%	0.327	S	S	*	.	S	Bend	trans	-81.4	-3	-179.5	0	0	0	0	0	114.4
107	Y	85.9	Confident	91.6	Very high	118 Å²	118	62.6 Å²	62.6	46%	0.463	33%	0.328	S	S	.	.	S	Bend	trans	-108	156	-173.8	-57.9	-75.7	0	0	0	112.6	I31 Y102 I105 L109	I31-Y107 HydrophobicContact CB-CE2 4.12Å; I31-Y107 HydrophobicContact CD1-CE2 4.38Å; I31-Y107 WeakPolarHBondContact CD1-OH 3.39Å; I31-Y107 HydrophobicContact CG1-CE2 3.76Å; I31-Y107 WeakPolarHBondContact CG1-OH 3.47Å; I31-Y107 HydrophobicContact CG2-CD1 4.34Å; I31-Y107 HydrophobicContact CG2-CD2 3.74Å; I31-Y107 HydrophobicContact CG2-CE1 3.87Å; I31-Y107 HydrophobicContact CG2-CE2 3.21Å; I31-Y107 HydrophobicContact CG2-CG 4.31Å; Y102-Y107 PolarHBondContact OH-O 2.94Å; I105-Y107 VanDerWaalsContact C-N 3.29Å; I105-Y107 HydrophobicContact CG2-CD2 4.26Å; I105-Y107 PolarHBondContact O-N 3.3Å; Y107-L109 PolarHBondContact O-N 2.84Å
108	N	92.5	Very high	91.5	Very high	81 Å²	81	67.9 Å²	67.9	43%	0.433	35%	0.353	S	S	.	.			trans	-76.4	120.3	173.5	-56.9	-30.1	0	0	0	109.8	T110 R145 L146 H147	N108-T110 PolarHBondContact O-N 3.49Å; N108-R145 HydrophobicContact CB-CG 4.14Å; N108-L146 CarbonylContact C-O 3.57Å; N108-L146 WeakPolarHBondContact CA-O 3.47Å; N108-H147 VanDerWaalsContact CG-CE1 3.46Å; N108-H147 PolarHBondContact ND2-CE1 3.21Å; N108-H147 VanDerWaalsContact ND2-CE1 3.3Å; N108-H147 PolarHBondContact ND2-ND1 2.91Å; N108-H147 PolarHBondContact OD1-ND1 3.24Å
109	L	91.1	Very high	91.5	Very high	19 Å²	19	62.9 Å²	62.9	10%	0.099	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	111.3	-179.9	-64.8	174.7	0	0	0	109.5	V40 V44 Y102 I105 Y107 L111 R145 L146	V40-L109 HydrophobicContact CG1-CD2 4.04Å; V44-L109 HydrophobicContact CG2-CD1 4.47Å; Y102-L109 HydrophobicContact CD1-CD1 4.41Å; Y102-L109 HydrophobicContact CE1-CD1 4.02Å; Y102-L109 HydrophobicContact CE1-CG 4.42Å; Y102-L109 HydrophobicContact CE2-CD1 4.15Å; Y102-L109 HydrophobicContact CE2-CG 4.29Å; Y102-L109 PolarHBondContact OH-N 3.01Å; I105-L109 HydrophobicContact CD1-CD1 4.14Å; I105-L109 HydrophobicContact CD1-CD2 4.29Å; I105-L109 HydrophobicContact CG2-CD2 4.37Å; Y107-L109 PolarHBondContact O-N 2.84Å; L109-L111 HydrophobicContact CB-CD2 4.45Å; L109-R145 CarbonylContact O-C 3.52Å; L109-R145 WeakPolarHBondContact O-CA 3.06Å; L109-L146 HydrophobicContact CB-CB 4.44Å; L109-L146 PolarHBondContact N-O 2.92Å; L109-L146 PolarHBondContact O-N 2.83Å
110	T	93.8	Very high	91.6	Very high	86 Å²	86	59.4 Å²	59.4	53%	0.528	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	110.1	169.5	-56.5	0	0	0	0	108.1	N108 R145	N108-T110 PolarHBondContact O-N 3.49Å; T110-R145 PolarHBondContact OG1-NE 2.81Å
111	L	91.8	Very high	91.7	Very high	37 Å²	37	61.5 Å²	61.5	19%	0.194	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	162	-175.8	-61.8	178.9	0	0	0	111.3	V44 L109 V115 I144 L146	V44-L111 HydrophobicContact CG2-CD2 4.1Å; L109-L111 HydrophobicContact CB-CD2 4.45Å; L111-V115 HydrophobicContact CB-CG1 3.74Å; L111-V115 HydrophobicContact CD1-CB 4.49Å; L111-V115 HydrophobicContact CD1-CG1 3.91Å; L111-V115 HydrophobicContact CD1-CG2 4.2Å; L111-I144 HydrophobicContact CB-CG2 4.43Å; L111-I144 HydrophobicContact CD1-CG2 4.42Å; L111-I144 PolarHBondContact N-O 2.83Å; L111-L146 HydrophobicContact CD1-CD1 3.54Å; L111-L146 HydrophobicContact CD1-CG 3.99Å; L111-L146 HydrophobicContact CG-CD1 4.48Å
112	D	93.4	Very high	91.9	Very high	97 Å²	97	59.1 Å²	59.1	52%	0.519	31%	0.314	S	S	.	.			trans	-64.2	152.3	173.3	-176.7	64.7	0	0	0	111.6	R114 V115	D112-R114 PolarHBondContact O-N 3.08Å; D112-R114 VanDerWaalsContact O-N 3.1Å; D112-R114 WeakPolarHBondContact OD2-CB 3.36Å; D112-R114 WeakPolarHBondContact OD2-CD 3.18Å; D112-R114 WeakPolarHBondContact OD2-CG 3.17Å; D112-R114 PolarHBondContact OD2-N 3.05Å; D112-R114 IonicContact OD2-NE 3.65Å; D112-V115 VanDerWaalsContact O-CG1 3.29Å; D112-V115 WeakPolarHBondContact O-CG1 3.37Å; D112-V115 PolarHBondContact O-N 3.34Å
113	N	92.2	Very high	92	Very high	16 Å²	16	61.2 Å²	61.2	9%	0.086	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-15.6	-175.6	67.7	0.1	0	0	0	114.8	A116 K140 R142	N113-A116 WeakPolarHBondContact O-CB 3.39Å; N113-K140 PolarHBondContact ND2-O 3.3Å; N113-R142 HydrophobicContact CB-CB 4.17Å; N113-R142 WeakPolarHBondContact CB-O 3.38Å; N113-R142 PolarHBondContact O-NH2 2.92Å
114	R	92.8	Very high	92.4	Very high	176 Å²	176	57.5 Å²	57.5	66%	0.664	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-25.1	178.8	-64	171.7	-157.8	-156.6	1.9	112.9	D112 A116 D117	D112-R114 PolarHBondContact O-N 3.08Å; D112-R114 VanDerWaalsContact O-N 3.1Å; D112-R114 WeakPolarHBondContact OD2-CB 3.36Å; D112-R114 WeakPolarHBondContact OD2-CD 3.18Å; D112-R114 WeakPolarHBondContact OD2-CG 3.17Å; D112-R114 PolarHBondContact OD2-N 3.05Å; D112-R114 IonicContact OD2-NE 3.65Å; R114-A116 PolarHBondContact O-N 3.43Å; R114-D117 PolarHBondContact O-N 3.46Å
115	V	93.8	Very high	93.1	Very high	21 Å²	21	57.3 Å²	57.3	13%	0.127	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-64.3	-25.5	178	80.8	0	0	0	0	111.7	M48 L111 D112 D117 Q118 L119 I144	M48-V115 HydrophobicContact CE-CG2 4.08Å; M48-V115 HydrophobicContact SD-CG2 4.3Å; L111-V115 HydrophobicContact CB-CG1 3.74Å; L111-V115 HydrophobicContact CD1-CB 4.49Å; L111-V115 HydrophobicContact CD1-CG1 3.91Å; L111-V115 HydrophobicContact CD1-CG2 4.2Å; D112-V115 VanDerWaalsContact O-CG1 3.29Å; D112-V115 WeakPolarHBondContact O-CG1 3.37Å; D112-V115 PolarHBondContact O-N 3.34Å; V115-D117 PolarHBondContact O-N 2.88Å; V115-D117 VanDerWaalsContact O-N 3.17Å; V115-Q118 CarbonylContact O-C 3.42Å; V115-Q118 PolarHBondContact O-N 3.48Å; V115-L119 HydrophobicContact CG1-CD1 4.18Å; V115-L119 HydrophobicContact CG2-CD1 4.28Å; V115-L119 HydrophobicContact CG2-CG 4.38Å; V115-L119 WeakPolarHBondContact O-CG 3.08Å; V115-L119 PolarHBondContact O-N 3.38Å; V115-I144 HydrophobicContact CG1-CB 3.92Å; V115-I144 HydrophobicContact CG1-CG1 3.96Å; V115-I144 HydrophobicContact CG1-CG2 3.92Å
116	A	93.7	Very high	93.7	Very high	5 Å²	5	57.5 Å²	57.5	4%	0.041	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-58.1	-29.2	177.4	0	0	0	0	0	112.7	N113 R114 Q118 L119 I144 Y154	N113-A116 WeakPolarHBondContact O-CB 3.39Å; R114-A116 PolarHBondContact O-N 3.43Å; A116-Q118 PolarHBondContact O-N 3.24Å; A116-L119 PolarHBondContact O-N 3.18Å; A116-I144 HydrophobicContact CB-CD1 4Å; A116-I144 HydrophobicContact CB-CG1 3.82Å; A116-Y154 HydrophobicContact CB-CE2 4.28Å
117	D	93.8	Very high	94.4	Very high	103 Å²	103	57 Å²	57	55%	0.551	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-77.4	-9.4	178.7	-58.1	-43	0	0	0	112.5	R114 V115 R142	R114-D117 PolarHBondContact O-N 3.46Å; V115-D117 PolarHBondContact O-N 2.88Å; V115-D117 VanDerWaalsContact O-N 3.17Å; D117-R142 IonicContact OD1-CZ 2.75Å; D117-R142 IonicContact OD1-NH1 3.73Å; D117-R142 PolarHBondContact OD1-NH1 3.25Å; D117-R142 IonicContact OD1-NH2 3.04Å; D117-R142 PolarHBondContact OD1-NH2 2.81Å; D117-R142 IonicContact OD2-CZ 3.52Å; D117-R142 IonicContact OD2-NH1 2.86Å; D117-R142 IonicContact OD2-NH2 2.7Å; D117-R142 PolarHBondContact OD2-NH2 2.91Å
118	Q	94.6	Very high	94.9	Very high	114 Å²	114	53.1 Å²	53.1	53%	0.533	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-112.4	7	177.6	-57.7	-179	16.8	0	0	112.5	M48 I53 V115 A116	M48-Q118 HydrophobicContact CE-CB 3.33Å; M48-Q118 HydrophobicContact CE-CG 4.35Å; M48-Q118 VanDerWaalsContact CE-OE1 3.29Å; I53-Q118 WeakPolarHBondContact CG2-O 3.22Å; V115-Q118 CarbonylContact O-C 3.42Å; V115-Q118 PolarHBondContact O-N 3.48Å; A116-Q118 PolarHBondContact O-N 3.24Å
119	L	95.8	Very high	95.1	Very high	11 Å²	11	51.5 Å²	51.5	6%	0.058	26%	0.259	C	S	.	.	S	Bend	trans	-117.4	152.2	178	-66.8	178.2	0	0	0	109.8	M48 Y51 L100 V115 A116 V121 I144	M48-L119 HydrophobicContact CE-CD2 4.12Å; M48-L119 HydrophobicContact SD-CD2 3.89Å; Y51-L119 HydrophobicContact CD1-CD2 4.36Å; Y51-L119 HydrophobicContact CE1-CD2 3.98Å; Y51-L119 HydrophobicContact CE2-CD2 4.5Å; L100-L119 HydrophobicContact CD1-CD1 4.45Å; L100-L119 HydrophobicContact CD1-CD2 3.9Å; L100-L119 HydrophobicContact CD2-CD2 3.84Å; V115-L119 HydrophobicContact CG1-CD1 4.18Å; V115-L119 HydrophobicContact CG2-CD1 4.28Å; V115-L119 HydrophobicContact CG2-CG 4.38Å; V115-L119 WeakPolarHBondContact O-CG 3.08Å; V115-L119 PolarHBondContact O-N 3.38Å; A116-L119 PolarHBondContact O-N 3.18Å; L119-V121 PolarHBondContact O-N 3.38Å; L119-I144 HydrophobicContact CD1-CG2 4.13Å
120	W	97.1	Very high	95.4	Very high	10 Å²	10	55.9 Å²	55.9	4%	0.038	28%	0.277	C	S	.	.			trans	-69.9	131.9	168.1	178.7	92.7	0	0	0	108.9	Y51 R56 P57 V64 W95 P122 Y187 I192	Y51-W120 PolarHBondContact OH-N 2.99Å; R56-W120 HydrophobicContact CB-CH2 4.46Å; R56-W120 HydrophobicContact CB-CZ2 3.72Å; P57-W120 VanDerWaalsContact CD-CE3 3.44Å; P57-W120 HydrophobicContact CG-CE3 3.94Å; P57-W120 HydrophobicContact CG-CZ3 4.04Å; V64-W120 HydrophobicContact CG1-CH2 3.77Å; V64-W120 HydrophobicContact CG1-CZ3 4.47Å; W95-W120 HydrophobicContact CD2-CZ3 4.43Å; W95-W120 HydrophobicContact CG-CZ3 4.36Å; W95-W120 VanDerWaalsContact CZ2-O 3.3Å; W95-W120 WeakPolarHBondContact CZ2-O 3.41Å; W95-W120 AromaticContact NE1-CE3 3.88Å; W95-W120 AromaticContact NE1-CZ3 3.89Å; W120-P122 HydrophobicContact CH2-CB 4.28Å; W120-P122 HydrophobicContact CH2-CG 3.81Å; W120-P122 HydrophobicContact CZ3-CG 3.8Å; W120-Y187 HydrophobicContact CZ2-CE2 4.01Å; W120-Y187 AromaticContact NE1-CZ 3.81Å; W120-Y187 PolarHBondContact NE1-OH 3.21Å; W120-Y187 VanDerWaalsContact NE1-OH 3.13Å; W120-I192 HydrophobicContact CH2-CD1 4.37Å
121	V	97.1	Very high	95.5	Very high	47 Å²	47	59 Å²	59	29%	0.285	28%	0.284	S	S	.	.			trans	-127.9	144.5	173	-62.9	0	0	0	0	109	W95 L119 Y154	W95-V121 HydrophobicContact CH2-CB 4.42Å; W95-V121 HydrophobicContact CH2-CG1 4.08Å; W95-V121 HydrophobicContact CZ2-CG1 4.46Å; L119-V121 PolarHBondContact O-N 3.38Å; V121-Y154 HydrophobicContact CB-CE1 4.39Å; V121-Y154 HydrophobicContact CG1-CD1 4.46Å; V121-Y154 HydrophobicContact CG1-CE1 4.33Å
122	P	97.3	Very high	95.8	Very high	6 Å²	6	59.9 Å²	59.9	4%	0.039	29%	0.292	C	S	.	.			trans	-58.6	141.4	175.1	-24.2	34.3	0	0	0	112	V66 W95 W120 T124 I192	V66-P122 HydrophobicContact CG1-CG 4.09Å; V66-P122 HydrophobicContact CG2-CG 3.93Å; W95-P122 HydrophobicContact CD2-CG 4.4Å; W95-P122 HydrophobicContact CE3-CG 4.05Å; W95-P122 HydrophobicContact CZ3-CG 4.22Å; W120-P122 HydrophobicContact CH2-CB 4.28Å; W120-P122 HydrophobicContact CH2-CG 3.81Å; W120-P122 HydrophobicContact CZ3-CG 3.8Å; P122-T124 HydrophobicContact CB-CG2 4.02Å; P122-T124 PolarHBondContact O-N 3.33Å; P122-I192 HydrophobicContact CB-CD1 4.04Å
123	D	96.2	Very high	96	Very high	51 Å²	51	60.2 Å²	60.2	27%	0.273	29%	0.29	S	S	.	.			trans	-85.2	48.9	-180	64.8	-11.6	0	0	0	112.3	Y125 S184 Y185 G186 Y187	D123-Y125 PolarHBondContact O-N 2.85Å; D123-S184 PolarHBondContact OD1-OG 3.2Å; D123-Y185 PolarHBondContact O-N 2.86Å; D123-G186 WeakPolarHBondContact OD2-CA 3.3Å; D123-G186 PolarHBondContact OD2-N 3.49Å; D123-Y187 WeakPolarHBondContact OD1-CD2 3.47Å
124	T	97.4	Very high	96.2	Very high	30 Å²	30	62.5 Å²	62.5	18%	0.184	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	128.5	-179.9	55.4	0	0	0	0	110.9	M68 Q93 P122 E183 F194	M68-T124 HydrophobicContact CE-CG2 3.46Å; M68-T124 VanDerWaalsContact CE-CG2 3.46Å; Q93-T124 PolarHBondContact NE2-OG1 3.28Å; P122-T124 HydrophobicContact CB-CG2 4.02Å; P122-T124 PolarHBondContact O-N 3.33Å; T124-E183 CarbonylContact C-O 3.49Å; T124-E183 WeakPolarHBondContact CA-O 3.37Å; T124-F194 HydrophobicContact CG2-CE1 4.21Å; T124-F194 HydrophobicContact CG2-CE2 4.33Å; T124-F194 HydrophobicContact CG2-CZ 3.63Å
125	Y	97.4	Very high	96.4	Very high	69 Å²	69	55.7 Å²	55.7	27%	0.271	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	163.8	172.6	77.4	-75.6	0	0	0	111.1	D123 L127 E183 Y185	D123-Y125 PolarHBondContact O-N 2.85Å; Y125-L127 HydrophobicContact CE2-CB 4.46Å; Y125-L127 HydrophobicContact CE2-CD1 4.16Å; Y125-E183 HydrophobicContact CD1-CB 4.4Å; Y125-E183 WeakPolarHBondContact CD1-O 3.45Å; Y125-E183 HydrophobicContact CE1-CB 3.79Å; Y125-E183 HydrophobicContact CE1-CG 3.84Å; Y125-E183 PolarHBondContact N-O 3.15Å; Y125-E183 PolarHBondContact O-N 2.96Å; Y125-E183 PolarHBondContact OH-OE2 2.8Å; Y125-Y185 HydrophobicContact CD1-CD2 4.09Å; Y125-Y185 HydrophobicContact CD1-CG 4.41Å; Y125-Y185 AromaticContact CE1-CD2 3.92Å; Y125-Y185 HydrophobicContact CE1-CD2 3.92Å; Y125-Y185 HydrophobicContact CE1-CG 4.44Å
126	F	97.9	Very high	96.4	Very high	23 Å²	23	56.7 Å²	56.7	10%	0.101	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	121.4	176.4	-59.6	-67.1	0	0	0	109	M89 F91 D129 I158 L180 E181 I182	M89-F126 HydrophobicContact CE-CE1 3.57Å; M89-F126 HydrophobicContact CE-CE2 4.05Å; M89-F126 HydrophobicContact CE-CZ 3.26Å; F91-F126 HydrophobicContact CD1-CZ 4.33Å; F91-F126 HydrophobicContact CE1-CZ 4.36Å; F91-F126 HydrophobicContact CG-CZ 4.46Å; F126-D129 HydrophobicContact CB-CB 3.72Å; F126-D129 WeakPolarHBondContact O-CB 3.39Å; F126-D129 PolarHBondContact O-N 2.82Å; F126-I158 HydrophobicContact CE2-CD1 3.97Å; F126-I158 HydrophobicContact CE2-CG2 4.34Å; F126-I158 HydrophobicContact CZ-CD1 4.18Å; F126-L180 HydrophobicContact CB-CD1 4.47Å; F126-L180 HydrophobicContact CD1-CD1 3.77Å; F126-L180 HydrophobicContact CD1-CD2 4.35Å; F126-L180 HydrophobicContact CD1-CG 4.07Å; F126-L180 HydrophobicContact CE1-CD1 4.37Å; F126-L180 HydrophobicContact CE1-CD2 4.19Å; F126-L180 HydrophobicContact CE1-CG 4.41Å; F126-L180 HydrophobicContact CG-CD1 4.26Å; F126-E181 WeakPolarHBondContact CA-O 3.31Å; F126-I182 HydrophobicContact CD1-CG1 3.83Å; F126-I182 HydrophobicContact CE1-CD1 4.26Å; F126-I182 HydrophobicContact CE1-CG1 3.78Å; F126-I182 HydrophobicContact CE1-CG2 4.49Å
127	L	96.3	Very high	96.4	Very high	78 Å²	78	62.6 Å²	62.6	41%	0.408	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-38.2	-176.6	-177.9	68.2	0	0	0	112.1	Y125 D129 E181	Y125-L127 HydrophobicContact CE2-CB 4.46Å; Y125-L127 HydrophobicContact CE2-CD1 4.16Å; L127-D129 PolarHBondContact O-N 3.36Å; L127-E181 HydrophobicContact CB-CB 4Å; L127-E181 HydrophobicContact CD2-CB 4.45Å; L127-E181 PolarHBondContact N-O 2.79Å
128	N	96.6	Very high	96.4	Very high	35 Å²	35	64.2 Å²	64.2	19%	0.187	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-3.4	-179	-64.2	88.1	0	0	0	113.1	K130 A162 A163 E181	N128-K130 PolarHBondContact O-N 2.74Å; N128-A162 HydrophobicContact CB-CB 4.04Å; N128-A162 CarbonylContact O-C 3.59Å; N128-A162 WeakPolarHBondContact O-CA 3.33Å; N128-A163 PolarHBondContact ND2-O 3.37Å; N128-A163 VanDerWaalsContact ND2-O 3.16Å; N128-A163 PolarHBondContact O-N 3.24Å; N128-E181 WeakPolarHBondContact OD1-CB 3.41Å; N128-E181 WeakPolarHBondContact OD1-CG 3.34Å; N128-E181 PolarHBondContact OD1-N 2.95Å
129	D	97.4	Very high	96.5	Very high	48 Å²	48	62.7 Å²	62.7	26%	0.257	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	123.5	-171.7	-174.9	41.5	0	0	0	112	F126 L127 K131 S132 T160	F126-D129 HydrophobicContact CB-CB 3.72Å; F126-D129 WeakPolarHBondContact O-CB 3.39Å; F126-D129 PolarHBondContact O-N 2.82Å; L127-D129 PolarHBondContact O-N 3.36Å; D129-K131 PolarHBondContact OD1-N 3.13Å; D129-K131 VanDerWaalsContact OD1-N 3.12Å; D129-K131 VanDerWaalsContact OD1-O 3.08Å; D129-S132 WeakPolarHBondContact OD1-CB 3.47Å; D129-S132 PolarHBondContact OD1-N 2.93Å; D129-S132 WeakPolarHBondContact OD2-CB 3.47Å; D129-S132 PolarHBondContact OD2-N 2.92Å; D129-S132 PolarHBondContact OD2-OG 2.81Å; D129-T160 PolarHBondContact OD1-OG1 2.78Å
130	K	96.8	Very high	96.4	Very high	111 Å²	111	68.4 Å²	68.4	48%	0.483	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	-36.3	167.5	-65.2	-174.6	-176	173.6	0	111.1	N82 D84 N128 T161 A163	N82-K130 PolarHBondContact O-NZ 3.25Å; D84-K130 HydrophobicContact CB-CD 4.35Å; D84-K130 IonicContact OD2-NZ 2.72Å; D84-K130 PolarHBondContact OD2-NZ 2.66Å; N128-K130 PolarHBondContact O-N 2.74Å; K130-T161 PolarHBondContact N-O 3.28Å; K130-A163 HydrophobicContact CD-CB 4.45Å; K130-A163 HydrophobicContact CG-CB 4.18Å
131	K	96.6	Very high	96.3	Very high	152 Å²	152	70.2 Å²	70.2	66%	0.661	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-161.1	122.2	-176.9	-175.9	178.9	-179.8	-178.5	0	109.3	D129 T161	D129-K131 PolarHBondContact OD1-N 3.13Å; D129-K131 VanDerWaalsContact OD1-N 3.12Å; D129-K131 VanDerWaalsContact OD1-O 3.08Å; K131-T161 PolarHBondContact O-N 2.79Å
132	S	97.1	Very high	96.3	Very high	54 Å²	54	70 Å²	70	38%	0.378	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	157.3	172.1	58.2	0	0	0	0	111.9	D129 T159	D129-S132 WeakPolarHBondContact OD1-CB 3.47Å; D129-S132 PolarHBondContact OD1-N 2.93Å; D129-S132 WeakPolarHBondContact OD2-CB 3.47Å; D129-S132 PolarHBondContact OD2-N 2.92Å; D129-S132 PolarHBondContact OD2-OG 2.81Å; S132-T159 CarbonylContact C-O 3.56Å; S132-T159 VanDerWaalsContact CA-O 3.24Å; S132-T159 WeakPolarHBondContact CA-O 3.24Å
133	F	97.4	Very high	96.1	Very high	105 Å²	105	72.3 Å²	72.3	46%	0.461	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	148.6	171.1	64.5	-86.1	0	0	0	111	H135 T159	F133-H135 AromaticContact CE2-CE1 3.58Å; F133-H135 AromaticContact CE2-ND1 3.89Å; F133-H135 AromaticContact CE2-NE2 3.85Å; F133-T159 HydrophobicContact CE1-CG2 3.81Å; F133-T159 HydrophobicContact CZ-CG2 3.99Å; F133-T159 PolarHBondContact N-O 3.32Å; F133-T159 PolarHBondContact O-N 3.17Å
134	V	97.3	Very high	96.2	Very high	63 Å²	63	69.9 Å²	69.9	38%	0.382	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	131.5	169.6	-178.2	0	0	0	0	108.1	R142 L156 I158	V134-R142 HydrophobicContact CG1-CG 4.5Å; V134-L156 HydrophobicContact CG1-CD2 4.44Å; V134-I158 HydrophobicContact CG2-CG1 4.4Å
135	H	96.2	Very high	96.1	Very high	34 Å²	34	72.6 Å²	72.6	16%	0.157	38%	0.375	C	S	.	.			trans	-62.3	142.5	178.2	-72.7	-91.4	0	0	0	111.4	F133 N141 R157 T159	F133-H135 AromaticContact CE2-CE1 3.58Å; F133-H135 AromaticContact CE2-ND1 3.89Å; F133-H135 AromaticContact CE2-NE2 3.85Å; H135-N141 HydrophobicContact CB-CB 4.2Å; H135-N141 WeakPolarHBondContact O-CB 3.34Å; H135-N141 PolarHBondContact O-N 2.97Å; H135-N141 PolarHBondContact O-OD1 2.93Å; H135-R157 HydrophobicContact CB-CB 4.5Å; H135-R157 PolarHBondContact CD2-O 3.46Å; H135-R157 PolarHBondContact CE1-NH1 2.88Å; H135-R157 VanDerWaalsContact CE1-NH1 3.31Å; H135-R157 PolarHBondContact N-O 2.97Å; H135-R157 VanDerWaalsContact N-O 3.09Å; H135-R157 PolarHBondContact ND1-NH1 3.32Å; H135-T159 PolarHBondContact CE1-OG1 3.24Å; H135-T159 PolarHBondContact NE2-OG1 2.7Å
136	G	94.4	Very high	96	Very high	42 Å²	42	69.5 Å²	69.5	43%	0.433	36%	0.363	S	S	.	.			trans	-129.7	19.4	-169.1	0	0	0	0	0	115.8	T138 V139	G136-T138 CarbonylContact O-C 3.52Å; G136-V139 CarbonylContact C-O 3.57Å; G136-V139 WeakPolarHBondContact CA-O 3.3Å; G136-V139 CarbonylContact O-C 3.59Å
137	V	94.1	Very high	95.9	Very high	129 Å²	129	70.7 Å²	70.7	78%	0.782	37%	0.369	S	S	*	.	S	Bend	trans	-117.3	123	-174.2	-177.7	0	0	0	0	109.9	V139	V137-V139 VanDerWaalsContact C-N 3.35Å; V137-V139 PolarHBondContact N-O 3.49Å
138	T	93.8	Very high	95.7	Very high	137 Å²	137	69.2 Å²	69.2	84%	0.84	36%	0.364	S	S	*	.	S	Bend	cis	-78.3	-13.3	-8	50.9	0	0	0	0	113.7	G136	G136-T138 CarbonylContact O-C 3.52Å
139	V	95.5	Very high	95.6	Very high	81 Å²	81	71 Å²	71	49%	0.491	37%	0.373	S	S	.	.	S	Bend	trans	-132.6	168.8	175.1	-64.9	0	0	0	0	109	G136 V137 N141	G136-V139 CarbonylContact C-O 3.57Å; G136-V139 WeakPolarHBondContact CA-O 3.3Å; G136-V139 CarbonylContact O-C 3.59Å; V137-V139 VanDerWaalsContact C-N 3.35Å; V137-V139 PolarHBondContact N-O 3.49Å; V139-N141 PolarHBondContact O-N 2.88Å; V139-N141 VanDerWaalsContact O-N 3.16Å; V139-N141 PolarHBondContact O-OD1 2.9Å
140	K	94.9	Very high	95.5	Very high	131 Å²	131	68.7 Å²	68.7	57%	0.57	36%	0.362	S	S	*	.			trans	-56.9	121.2	172.3	-69.2	-173.7	179.7	-179.3	0	110.4	N113 R142	N113-K140 PolarHBondContact ND2-O 3.3Å; K140-R142 HydrophobicContact CB-CG 4.37Å; K140-R142 PolarHBondContact O-N 2.87Å
141	N	94.8	Very high	95.5	Very high	49 Å²	49	64.5 Å²	64.5	26%	0.262	35%	0.345	S	S	.	.			trans	-75.3	74.2	-176.3	-66.7	42.3	0	0	0	110.4	H135 V139 R157	H135-N141 HydrophobicContact CB-CB 4.2Å; H135-N141 WeakPolarHBondContact O-CB 3.34Å; H135-N141 PolarHBondContact O-N 2.97Å; H135-N141 PolarHBondContact O-OD1 2.93Å; V139-N141 PolarHBondContact O-N 2.88Å; V139-N141 VanDerWaalsContact O-N 3.16Å; V139-N141 PolarHBondContact O-OD1 2.9Å; N141-R157 HydrophobicContact CB-CB 3.79Å; N141-R157 PolarHBondContact O-N 2.8Å; N141-R157 VanDerWaalsContact O-N 3.15Å
142	R	95.9	Very high	95.5	Very high	42 Å²	42	57.3 Å²	57.3	16%	0.158	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	144.1	172.2	-44.8	-175.1	-72.6	-172	-1.1	108.5	N113 D117 V134 K140 Y154 G155 L156	N113-R142 HydrophobicContact CB-CB 4.17Å; N113-R142 WeakPolarHBondContact CB-O 3.38Å; N113-R142 PolarHBondContact O-NH2 2.92Å; D117-R142 IonicContact OD1-CZ 2.75Å; D117-R142 IonicContact OD1-NH1 3.73Å; D117-R142 PolarHBondContact OD1-NH1 3.25Å; D117-R142 IonicContact OD1-NH2 3.04Å; D117-R142 PolarHBondContact OD1-NH2 2.81Å; D117-R142 IonicContact OD2-CZ 3.52Å; D117-R142 IonicContact OD2-NH1 2.86Å; D117-R142 IonicContact OD2-NH2 2.7Å; D117-R142 PolarHBondContact OD2-NH2 2.91Å; V134-R142 HydrophobicContact CG1-CG 4.5Å; K140-R142 HydrophobicContact CB-CG 4.37Å; K140-R142 PolarHBondContact O-N 2.87Å; R142-Y154 HydrophobicContact CB-CE2 4.22Å; R142-G155 CarbonylContact C-O 3.59Å; R142-G155 WeakPolarHBondContact CA-O 3.44Å; R142-L156 HydrophobicContact CB-CD2 4.04Å; R142-L156 HydrophobicContact CG-CD2 3.54Å
143	M	95.1	Very high	95.5	Very high	54 Å²	54	56 Å²	56	27%	0.266	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	139.5	171.4	61.5	169.7	-71.8	0	0	110	R145 L153 Y154 G155	M143-R145 HydrophobicContact CE-CB 4.24Å; M143-L153 HydrophobicContact CE-CD2 3.77Å; M143-L153 HydrophobicContact CE-CG 4.34Å; M143-Y154 WeakPolarHBondContact O-CA 3.45Å; M143-G155 VanDerWaalsContact CG-CA 3.5Å; M143-G155 PolarHBondContact N-O 2.95Å; M143-G155 PolarHBondContact O-N 2.87Å
144	I	96.3	Very high	95.5	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	123.5	169.5	-64.9	-71.1	0	0	0	107.1	L111 V115 A116 L119 L146 V152 L153 Y154	L111-I144 HydrophobicContact CB-CG2 4.43Å; L111-I144 HydrophobicContact CD1-CG2 4.42Å; L111-I144 PolarHBondContact N-O 2.83Å; V115-I144 HydrophobicContact CG1-CB 3.92Å; V115-I144 HydrophobicContact CG1-CG1 3.96Å; V115-I144 HydrophobicContact CG1-CG2 3.92Å; A116-I144 HydrophobicContact CB-CD1 4Å; A116-I144 HydrophobicContact CB-CG1 3.82Å; L119-I144 HydrophobicContact CD1-CG2 4.13Å; I144-L146 HydrophobicContact CG2-CD2 4.24Å; I144-L146 HydrophobicContact CG2-CG 4.39Å; I144-V152 HydrophobicContact CG2-CG1 4.49Å; I144-L153 WeakPolarHBondContact CA-O 3.36Å; I144-Y154 HydrophobicContact CD1-CD2 3.41Å; I144-Y154 VanDerWaalsContact CD1-CD2 3.41Å; I144-Y154 HydrophobicContact CD1-CE2 4.1Å; I144-Y154 HydrophobicContact CD1-CG 4.16Å; I144-Y154 HydrophobicContact CG1-CD2 4.36Å
145	R	96.1	Very high	95.5	Very high	87 Å²	87	49.3 Å²	49.3	33%	0.328	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	117.3	171.7	177.9	-179.6	-63	151.5	2.6	108.9	N108 L109 T110 M143 L153	N108-R145 HydrophobicContact CB-CG 4.14Å; L109-R145 CarbonylContact O-C 3.52Å; L109-R145 WeakPolarHBondContact O-CA 3.06Å; T110-R145 PolarHBondContact OG1-NE 2.81Å; M143-R145 HydrophobicContact CE-CB 4.24Å; R145-L153 HydrophobicContact CB-CB 4.2Å; R145-L153 PolarHBondContact N-O 2.75Å; R145-L153 PolarHBondContact O-N 2.55Å
146	L	95.4	Very high	95.5	Very high	5 Å²	5	48.5 Å²	48.5	3%	0.026	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	139.2	174.2	-58.4	-179	0	0	0	109.4	L47 L100 Y102 N108 L109 L111 I144 V152	L47-L146 HydrophobicContact CD1-CD1 4.43Å; L100-L146 HydrophobicContact CB-CD2 4.48Å; L100-L146 HydrophobicContact CD1-CD2 4.15Å; Y102-L146 HydrophobicContact CE1-CB 4.01Å; Y102-L146 PolarHBondContact OH-O 3.38Å; Y102-L146 VanDerWaalsContact OH-O 3.14Å; N108-L146 CarbonylContact C-O 3.57Å; N108-L146 WeakPolarHBondContact CA-O 3.47Å; L109-L146 HydrophobicContact CB-CB 4.44Å; L109-L146 PolarHBondContact N-O 2.92Å; L109-L146 PolarHBondContact O-N 2.83Å; L111-L146 HydrophobicContact CD1-CD1 3.54Å; L111-L146 HydrophobicContact CD1-CG 3.99Å; L111-L146 HydrophobicContact CG-CD1 4.48Å; I144-L146 HydrophobicContact CG2-CD2 4.24Å; I144-L146 HydrophobicContact CG2-CG 4.39Å; L146-V152 HydrophobicContact CD2-CB 4.3Å; L146-V152 HydrophobicContact CD2-CG1 4.05Å; L146-V152 HydrophobicContact CD2-CG2 3.7Å
147	H	95.4	Very high	95.7	Very high	47 Å²	47	49.7 Å²	49.7	22%	0.218	26%	0.258	C	S	.	.			trans	-107.3	152.5	170.4	-69.1	-87	0	0	0	109.6	Y102 N108 D149 G150 T151	Y102-H147 WeakPolarHBondContact CE1-O 3.33Å; N108-H147 VanDerWaalsContact CG-CE1 3.46Å; N108-H147 PolarHBondContact ND2-CE1 3.21Å; N108-H147 VanDerWaalsContact ND2-CE1 3.3Å; N108-H147 PolarHBondContact ND2-ND1 2.91Å; N108-H147 PolarHBondContact OD1-ND1 3.24Å; H147-D149 WeakPolarHBondContact CB-OD1 3.41Å; H147-D149 PolarHBondContact O-N 3.38Å; H147-G150 PolarHBondContact O-N 2.68Å; H147-T151 WeakPolarHBondContact CB-O 3.35Å; H147-T151 PolarHBondContact CD2-O 3.29Å; H147-T151 PolarHBondContact N-O 2.86Å
148	P	93.6	Very high	95.8	Very high	47 Å²	47	44.1 Å²	44.1	31%	0.305	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-25.1	-175.7	22.9	-32.7	0	0	0	113.5	Y102 G150	Y102-P148 HydrophobicContact CD2-CB 4.16Å; Y102-P148 HydrophobicContact CE2-CB 3.79Å; Y102-P148 PolarHBondContact N-O 2.93Å; Y102-P148 WeakPolarHBondContact O-CB 3.39Å; P148-G150 PolarHBondContact O-N 2.91Å
149	D	94.2	Very high	96	Very high	72 Å²	72	38 Å²	38	39%	0.385	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-2.1	176.7	69.4	-28.3	0	0	0	114.4	R96 H147 T151	R96-D149 PolarHBondContact NE-O 3.29Å; R96-D149 PolarHBondContact NH2-O 3.35Å; H147-D149 WeakPolarHBondContact CB-OD1 3.41Å; H147-D149 PolarHBondContact O-N 3.38Å; D149-T151 VanDerWaalsContact CG-OG1 3.28Å; D149-T151 VanDerWaalsContact OD1-CB 3.27Å; D149-T151 WeakPolarHBondContact OD1-CB 3.4Å; D149-T151 PolarHBondContact OD1-N 3.35Å; D149-T151 PolarHBondContact OD1-OG1 3.26Å; D149-T151 PolarHBondContact OD2-OG1 3.46Å
150	G	94.4	Very high	96.1	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.01	16%	0.162	C	C	.	.	S	Bend	trans	87.2	6.4	-173.7	0	0	0	0	0	113.8	D97 H147 P148 V152	D97-G150 PolarHBondContact N-O 2.75Å; D97-G150 WeakPolarHBondContact O-CA 3.34Å; H147-G150 PolarHBondContact O-N 2.68Å; P148-G150 PolarHBondContact O-N 2.91Å; G150-V152 PolarHBondContact O-N 2.67Å
151	T	96.4	Very high	96.3	Very high	23 Å²	23	29.3 Å²	29.3	14%	0.141	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	127.9	174	-63.2	0	0	0	0	110	W95 H147 D149	W95-T151 CarbonylContact O-C 3.51Å; W95-T151 WeakPolarHBondContact O-CA 3.34Å; H147-T151 WeakPolarHBondContact CB-O 3.35Å; H147-T151 PolarHBondContact CD2-O 3.29Å; H147-T151 PolarHBondContact N-O 2.86Å; D149-T151 VanDerWaalsContact CG-OG1 3.28Å; D149-T151 VanDerWaalsContact OD1-CB 3.27Å; D149-T151 WeakPolarHBondContact OD1-CB 3.4Å; D149-T151 PolarHBondContact OD1-N 3.35Å; D149-T151 PolarHBondContact OD1-OG1 3.26Å; D149-T151 PolarHBondContact OD2-OG1 3.46Å
152	V	97.2	Very high	96.4	Very high	1 Å²	1	27 Å²	27	1%	0.006	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	125	177	-174.2	0	0	0	0	108.3	A94 W95 D97 L100 I144 L146 G150	A94-V152 VanDerWaalsContact CA-O 3.28Å; A94-V152 WeakPolarHBondContact CA-O 3.33Å; W95-V152 HydrophobicContact CD2-CB 4.22Å; W95-V152 HydrophobicContact CH2-CB 4.39Å; W95-V152 HydrophobicContact CH2-CG1 3.88Å; W95-V152 HydrophobicContact CZ2-CB 3.87Å; W95-V152 HydrophobicContact CZ2-CG1 3.62Å; W95-V152 HydrophobicContact CZ2-CG2 4.42Å; W95-V152 PolarHBondContact N-O 3.11Å; W95-V152 VanDerWaalsContact N-O 3.17Å; W95-V152 PolarHBondContact O-N 3.01Å; D97-V152 HydrophobicContact CB-CG2 4.42Å; L100-V152 HydrophobicContact CD1-CG2 3.74Å; I144-V152 HydrophobicContact CG2-CG1 4.49Å; L146-V152 HydrophobicContact CD2-CB 4.3Å; L146-V152 HydrophobicContact CD2-CG1 4.05Å; L146-V152 HydrophobicContact CD2-CG2 3.7Å; G150-V152 PolarHBondContact O-N 2.67Å
153	L	96.9	Very high	96.5	Very high	25 Å²	25	26.2 Å²	26.2	13%	0.131	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	117.6	168.3	178.7	71.6	0	0	0	108.9	Q92 A94 M143 I144 R145	Q92-L153 HydrophobicContact CB-CD1 4.37Å; A94-L153 HydrophobicContact CB-CD1 4.3Å; M143-L153 HydrophobicContact CE-CD2 3.77Å; M143-L153 HydrophobicContact CE-CG 4.34Å; I144-L153 WeakPolarHBondContact CA-O 3.36Å; R145-L153 HydrophobicContact CB-CB 4.2Å; R145-L153 PolarHBondContact N-O 2.75Å; R145-L153 PolarHBondContact O-N 2.55Å
154	Y	97.6	Very high	96.5	Very high	23 Å²	23	23.9 Å²	23.9	9%	0.09	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	118.9	175.7	179.9	-133.5	0	0	0	109.7	Q92 Q93 W95 A116 V121 R142 M143 I144 L156	Q92-Y154 CarbonylContact C-O 3.57Å; Q92-Y154 WeakPolarHBondContact CA-O 3.28Å; Q93-Y154 PolarHBondContact N-O 3Å; Q93-Y154 PolarHBondContact O-N 2.79Å; W95-Y154 HydrophobicContact CH2-CD1 4.44Å; W95-Y154 HydrophobicContact CH2-CG 4.24Å; W95-Y154 VanDerWaalsContact CZ3-CB 3.49Å; W95-Y154 HydrophobicContact CZ3-CD1 4.4Å; W95-Y154 HydrophobicContact CZ3-CG 4.34Å; A116-Y154 HydrophobicContact CB-CE2 4.28Å; V121-Y154 HydrophobicContact CB-CE1 4.39Å; V121-Y154 HydrophobicContact CG1-CD1 4.46Å; V121-Y154 HydrophobicContact CG1-CE1 4.33Å; R142-Y154 HydrophobicContact CB-CE2 4.22Å; M143-Y154 WeakPolarHBondContact O-CA 3.45Å; I144-Y154 HydrophobicContact CD1-CD2 3.41Å; I144-Y154 VanDerWaalsContact CD1-CD2 3.41Å; I144-Y154 HydrophobicContact CD1-CE2 4.1Å; I144-Y154 HydrophobicContact CD1-CG 4.16Å; I144-Y154 HydrophobicContact CG1-CD2 4.36Å; Y154-L156 HydrophobicContact CD1-CD1 4.47Å; Y154-L156 HydrophobicContact CD1-CG 4.46Å; Y154-L156 HydrophobicContact CE1-CD1 3.66Å; Y154-L156 HydrophobicContact CE1-CD2 4.17Å; Y154-L156 HydrophobicContact CE1-CG 3.86Å; Y154-L156 HydrophobicContact CE2-CD2 3.95Å; Y154-L156 HydrophobicContact CE2-CG 4.3Å; Y154-L156 WeakPolarHBondContact OH-CD2 3.26Å
155	G	97.2	Very high	96.4	Very high	5 Å²	5	32 Å²	32	5%	0.052	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	140.4	178.3	0	0	0	0	0	111.4	F91 R142 M143	F91-G155 CarbonylContact O-C 3.55Å; F91-G155 WeakPolarHBondContact O-CA 3.38Å; R142-G155 CarbonylContact C-O 3.59Å; R142-G155 WeakPolarHBondContact CA-O 3.44Å; M143-G155 VanDerWaalsContact CG-CA 3.5Å; M143-G155 PolarHBondContact N-O 2.95Å; M143-G155 PolarHBondContact O-N 2.87Å
156	L	97.1	Very high	96.3	Very high	18 Å²	18	28.4 Å²	28.4	9%	0.094	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	140	178.1	-68.7	175.3	0	0	0	109.3	Y90 F91 V134 R142 Y154 I158	Y90-L156 CarbonylContact C-O 3.57Å; Y90-L156 WeakPolarHBondContact CA-O 3.35Å; F91-L156 HydrophobicContact CB-CB 4.43Å; F91-L156 HydrophobicContact CD1-CD1 4.37Å; F91-L156 PolarHBondContact N-O 3.45Å; F91-L156 PolarHBondContact O-N 3.03Å; V134-L156 HydrophobicContact CG1-CD2 4.44Å; R142-L156 HydrophobicContact CB-CD2 4.04Å; R142-L156 HydrophobicContact CG-CD2 3.54Å; Y154-L156 HydrophobicContact CD1-CD1 4.47Å; Y154-L156 HydrophobicContact CD1-CG 4.46Å; Y154-L156 HydrophobicContact CE1-CD1 3.66Å; Y154-L156 HydrophobicContact CE1-CD2 4.17Å; Y154-L156 HydrophobicContact CE1-CG 3.86Å; Y154-L156 HydrophobicContact CE2-CD2 3.95Å; Y154-L156 HydrophobicContact CE2-CG 4.3Å; Y154-L156 WeakPolarHBondContact OH-CD2 3.26Å; L156-I158 HydrophobicContact CB-CD1 3.88Å; L156-I158 HydrophobicContact CB-CG1 3.77Å; L156-I158 HydrophobicContact CD1-CD1 3.9Å
157	R	97.5	Very high	96.2	Very high	67 Å²	67	31.9 Å²	31.9	25%	0.253	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	110.7	163.3	-168.9	-178.4	178.8	-114.6	-1.6	108.7	Y90 H135 N141	Y90-R157 HydrophobicContact CD1-CB 4.13Å; Y90-R157 HydrophobicContact CD1-CG 4.08Å; Y90-R157 HydrophobicContact CE1-CB 4.18Å; Y90-R157 HydrophobicContact CE1-CG 3.87Å; H135-R157 HydrophobicContact CB-CB 4.5Å; H135-R157 PolarHBondContact CD2-O 3.46Å; H135-R157 PolarHBondContact CE1-NH1 2.88Å; H135-R157 VanDerWaalsContact CE1-NH1 3.31Å; H135-R157 PolarHBondContact N-O 2.97Å; H135-R157 VanDerWaalsContact N-O 3.09Å; H135-R157 PolarHBondContact ND1-NH1 3.32Å; N141-R157 HydrophobicContact CB-CB 3.79Å; N141-R157 PolarHBondContact O-N 2.8Å; N141-R157 VanDerWaalsContact O-N 3.15Å
158	I	97.5	Very high	96.1	Very high	11 Å²	11	29.8 Å²	29.8	6%	0.056	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	137.8	-173.4	-53.2	177.6	0	0	0	108.9	T88 M89 F91 F126 V134 L156	T88-I158 WeakPolarHBondContact CA-O 3.29Å; M89-I158 PolarHBondContact N-O 2.93Å; M89-I158 PolarHBondContact O-N 3.39Å; F91-I158 HydrophobicContact CB-CD1 4.06Å; F91-I158 HydrophobicContact CD1-CD1 4.04Å; F91-I158 HydrophobicContact CG-CD1 4.41Å; F126-I158 HydrophobicContact CE2-CD1 3.97Å; F126-I158 HydrophobicContact CE2-CG2 4.34Å; F126-I158 HydrophobicContact CZ-CD1 4.18Å; V134-I158 HydrophobicContact CG2-CG1 4.4Å; L156-I158 HydrophobicContact CB-CD1 3.88Å; L156-I158 HydrophobicContact CB-CG1 3.77Å; L156-I158 HydrophobicContact CD1-CD1 3.9Å
159	T	97.9	Very high	96.1	Very high	8 Å²	8	34.8 Å²	34.8	5%	0.049	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	124.9	159.1	-64.2	0	0	0	0	107.8	T86 L87 T88 S132 F133 H135	T86-T159 HydrophobicContact CG2-CG2 3.58Å; L87-T159 WeakPolarHBondContact O-CA 3.46Å; T88-T159 WeakPolarHBondContact CG2-OG1 3.02Å; T88-T159 WeakPolarHBondContact OG1-CG2 3.4Å; T88-T159 PolarHBondContact OG1-OG1 3.2Å; S132-T159 CarbonylContact C-O 3.56Å; S132-T159 VanDerWaalsContact CA-O 3.24Å; S132-T159 WeakPolarHBondContact CA-O 3.24Å; F133-T159 HydrophobicContact CE1-CG2 3.81Å; F133-T159 HydrophobicContact CZ-CG2 3.99Å; F133-T159 PolarHBondContact N-O 3.32Å; F133-T159 PolarHBondContact O-N 3.17Å; H135-T159 PolarHBondContact CE1-OG1 3.24Å; H135-T159 PolarHBondContact NE2-OG1 2.7Å
160	T	97.5	Very high	96.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	137.4	179.2	175.2	0	0	0	0	109.8	T86 L87 M89 D129 L180	T86-T160 WeakPolarHBondContact CA-O 3.18Å; L87-T160 HydrophobicContact CB-CG2 4.34Å; L87-T160 PolarHBondContact N-O 2.83Å; L87-T160 PolarHBondContact O-N 2.83Å; M89-T160 HydrophobicContact CE-CG2 4.2Å; D129-T160 PolarHBondContact OD1-OG1 2.78Å; T160-L180 HydrophobicContact CG2-CD1 4.26Å
161	T	97.9	Very high	96	Very high	30 Å²	30	37.4 Å²	37.4	18%	0.184	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	102.5	168.3	-59.5	0	0	0	0	107.7	D84 Y85 T86 K130 K131	D84-T161 HydrophobicContact CB-CG2 3.86Å; Y85-T161 CarbonylContact O-C 3.45Å; Y85-T161 WeakPolarHBondContact O-CA 3.23Å; T86-T161 PolarHBondContact OG1-OG1 2.88Å; T86-T161 VanDerWaalsContact OG1-OG1 3.08Å; K130-T161 PolarHBondContact N-O 3.28Å; K131-T161 PolarHBondContact O-N 2.79Å
162	A	97.7	Very high	95.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	132.9	-176.8	0	0	0	0	0	110.9	D84 Y85 N128 L180	D84-A162 CarbonylContact C-O 3.53Å; D84-A162 VanDerWaalsContact CA-O 3.24Å; D84-A162 WeakPolarHBondContact CA-O 3.16Å; D84-A162 VanDerWaalsContact CB-O 3.25Å; D84-A162 WeakPolarHBondContact CB-O 3.5Å; Y85-A162 HydrophobicContact CD1-CB 4.31Å; Y85-A162 WeakPolarHBondContact CD1-O 3.46Å; Y85-A162 HydrophobicContact CE1-CB 3.68Å; Y85-A162 HydrophobicContact CE2-CB 4.45Å; Y85-A162 PolarHBondContact N-O 3.1Å; Y85-A162 PolarHBondContact O-N 2.99Å; N128-A162 HydrophobicContact CB-CB 4.04Å; N128-A162 CarbonylContact O-C 3.59Å; N128-A162 WeakPolarHBondContact O-CA 3.33Å; A162-L180 HydrophobicContact CB-CD1 4.23Å
163	A	97.3	Very high	95.7	Very high	27 Å²	27	37.9 Å²	37.9	22%	0.223	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	129.2	174.1	0	0	0	0	0	110.8	N128 K130	N128-A163 PolarHBondContact ND2-O 3.37Å; N128-A163 VanDerWaalsContact ND2-O 3.16Å; N128-A163 PolarHBondContact O-N 3.24Å; K130-A163 HydrophobicContact CD-CB 4.45Å; K130-A163 HydrophobicContact CG-CB 4.18Å
164	C	96.4	Very high	95.6	Very high	4 Å²	4	37 Å²	37	3%	0.027	17%	0.173	C	C	.	.			trans	-131.2	113.5	176.1	176.4	0	0	0	0	109.1	M83 Y85 M166 C178	M83-C164 CarbonylContact C-O 3.6Å; M83-C164 WeakPolarHBondContact CB-O 3.16Å; M83-C164 PolarHBondContact O-N 2.89Å; M83-C164 VanDerWaalsContact O-O 3.08Å; Y85-C164 HydrophobicContact CD1-CB 3.78Å; Y85-C164 HydrophobicContact CE1-CB 4.03Å; C164-M166 HydrophobicContact CB-CE 4.41Å; C164-M166 PolarHBondContact O-N 3.46Å; C164-C178 HydrophobicContact CB-CB 3.76Å; C164-C178 WeakPolarHBondContact CB-SG 3.29Å; C164-C178 WeakPolarHBondContact SG-CA 3.22Å; C164-C178 WeakPolarHBondContact SG-CB 3.46Å; C164-C178 CovalentContact SG-SG 2.04Å; C164-C178 PolarHBondContact SG-SG 2.72Å
165	M	93.4	Very high	95.4	Very high	170 Å²	170	40.3 Å²	40.3	84%	0.837	19%	0.189	S	C	*	.			trans	-76.8	105.6	177.2	-64.8	-66.1	-77.2	0	0	109.2
166	M	93.6	Very high	95.3	Very high	12 Å²	12	40.4 Å²	40.4	6%	0.059	19%	0.188	C	C	.	.			trans	-92.1	138.9	-176.5	-60.2	176.7	-167.2	0	0	111.8	V78 E80 M83 C164 L168 Q176	V78-M166 HydrophobicContact CG1-CE 3.49Å; V78-M166 VanDerWaalsContact CG1-CE 3.49Å; E80-M166 HydrophobicContact CG-SD 4.2Å; M83-M166 HydrophobicContact SD-CB 3.84Å; M83-M166 HydrophobicContact SD-CG 4.24Å; C164-M166 HydrophobicContact CB-CE 4.41Å; C164-M166 PolarHBondContact O-N 3.46Å; M166-L168 HydrophobicContact CB-CD2 4.3Å; M166-L168 HydrophobicContact CB-CG 4.19Å; M166-Q176 HydrophobicContact CB-CG 4.4Å; M166-Q176 HydrophobicContact CG-CG 4.27Å
167	D	93.7	Very high	95.3	Very high	78 Å²	78	44.4 Å²	44.4	42%	0.417	21%	0.21	S	C	.	.			trans	-95.2	102.7	169	-173.7	-4.9	0	0	0	110.1	R169 Q176	D167-R169 WeakPolarHBondContact OD1-CB 3.33Å; D167-R169 WeakPolarHBondContact OD1-CD 3.33Å; D167-R169 WeakPolarHBondContact OD1-CG 3.38Å; D167-R169 PolarHBondContact OD1-N 2.76Å; D167-R169 IonicContact OD1-NE 2.66Å; D167-R169 IonicContact OD2-NH1 3.76Å; D167-Q176 PolarHBondContact O-NE2 2.79Å
168	L	93.6	Very high	95.3	Very high	3 Å²	3	41.3 Å²	41.3	2%	0.016	20%	0.198	C	C	.	.			trans	-93.7	14	-175.4	-61.8	169.7	0	0	0	113.9	E80 M83 M166 R170 Y171 P301 I303 Y305	E80-L168 HydrophobicContact CB-CD1 4.31Å; E80-L168 HydrophobicContact CG-CD2 4.46Å; M83-L168 HydrophobicContact CE-CD1 3.87Å; M166-L168 HydrophobicContact CB-CD2 4.3Å; M166-L168 HydrophobicContact CB-CG 4.19Å; L168-R170 VanDerWaalsContact C-N 3.3Å; L168-R170 PolarHBondContact O-N 3.36Å; L168-Y171 HydrophobicContact CD2-CD2 3.88Å; L168-Y171 WeakPolarHBondContact O-CB 3.49Å; L168-Y171 PolarHBondContact O-N 3.04Å; L168-Y171 VanDerWaalsContact O-N 3.14Å; L168-P301 HydrophobicContact CD1-CG 3.85Å; L168-I303 HydrophobicContact CB-CD1 4.07Å; L168-I303 HydrophobicContact CD1-CD1 3.3Å; L168-I303 HydrophobicContact CG-CD1 4.22Å; L168-Y305 HydrophobicContact CB-CE2 4.36Å; L168-Y305 PolarHBondContact N-OH 2.91Å; L168-Y305 VanDerWaalsContact N-OH 3.11Å
169	R	92.9	Very high	95.2	Very high	152 Å²	152	42.6 Å²	42.6	57%	0.574	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-40.4	178.6	-73.1	167.4	-174.8	171.4	1.2	112.7	D167 Y171 Y305 A308	D167-R169 WeakPolarHBondContact OD1-CB 3.33Å; D167-R169 WeakPolarHBondContact OD1-CD 3.33Å; D167-R169 WeakPolarHBondContact OD1-CG 3.38Å; D167-R169 PolarHBondContact OD1-N 2.76Å; D167-R169 IonicContact OD1-NE 2.66Å; D167-R169 IonicContact OD2-NH1 3.76Å; R169-Y171 VanDerWaalsContact C-N 3.33Å; R169-Y305 HydrophobicContact CB-CE2 4.44Å; R169-Y305 HydrophobicContact CG-CD2 3.77Å; R169-Y305 HydrophobicContact CG-CE2 3.71Å; R169-Y305 HydrophobicContact CG-CG 4.43Å; R169-A308 PolarHBondContact O-N 2.96Å
170	R	93.5	Very high	95.2	Very high	115 Å²	115	42.2 Å²	42.2	43%	0.434	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	11	178	-69.7	-170.3	177.8	-139.7	0.6	113.8	L168 L173 D174 H528	L168-R170 VanDerWaalsContact C-N 3.3Å; L168-R170 PolarHBondContact O-N 3.36Å; R170-L173 CarbonylContact O-C 3.58Å; R170-L173 WeakPolarHBondContact O-CA 3.46Å; R170-L173 PolarHBondContact O-N 3.35Å; R170-D174 HydrophobicContact CB-CB 4.35Å; R170-H528 PolarHBondContact NH1-OXT 3.37Å
171	Y	93.3	Very high	95.2	Very high	13 Å²	13	43 Å²	43	5%	0.051	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	132	-176.5	-179.7	-90.2	0	0	0	113.1	L168 R169 F249 L300 A308 I309	L168-Y171 HydrophobicContact CD2-CD2 3.88Å; L168-Y171 WeakPolarHBondContact O-CB 3.49Å; L168-Y171 PolarHBondContact O-N 3.04Å; L168-Y171 VanDerWaalsContact O-N 3.14Å; R169-Y171 VanDerWaalsContact C-N 3.33Å; Y171-F249 HydrophobicContact CE1-CE1 4.34Å; Y171-F249 HydrophobicContact CE2-CZ 4.44Å; Y171-F249 AromaticContact CZ-CE1 3.84Å; Y171-F249 AromaticContact CZ-CZ 3.92Å; Y171-F249 WeakPolarHBondContact OH-CE1 3.38Å; Y171-F249 WeakPolarHBondContact OH-CZ 3.46Å; Y171-L300 HydrophobicContact CD1-CD1 4.18Å; Y171-L300 HydrophobicContact CE1-CD1 3.65Å; Y171-L300 HydrophobicContact CE1-CD2 3.66Å; Y171-L300 HydrophobicContact CE1-CG 4.33Å; Y171-L300 HydrophobicContact CE2-CD2 4.13Å; Y171-L300 WeakPolarHBondContact OH-CD2 3.24Å; Y171-A308 WeakPolarHBondContact O-CB 3.25Å; Y171-I309 HydrophobicContact CD1-CB 4.38Å; Y171-I309 HydrophobicContact CD1-CG2 3.79Å; Y171-I309 HydrophobicContact CE1-CD1 4.28Å; Y171-I309 HydrophobicContact CE1-CG2 4.28Å; Y171-I309 PolarHBondContact O-N 2.89Å; Y171-I309 VanDerWaalsContact O-N 3.09Å
172	P	93.9	Very high	95.2	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.006	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	cis	-97.8	20.1	3.2	39.6	-37.5	0	0	0	114.6	D174 R244 F249 Y254	P172-D174 VanDerWaalsContact C-N 3.26Å; P172-D174 VanDerWaalsContact C-OD1 3.22Å; P172-D174 WeakPolarHBondContact CA-OD1 2.86Å; P172-D174 PolarHBondContact O-N 3.16Å; P172-R244 WeakPolarHBondContact O-CD 3.25Å; P172-F249 HydrophobicContact CB-CB 4.45Å; P172-F249 HydrophobicContact CB-CD1 4.19Å; P172-F249 HydrophobicContact CB-CD2 3.58Å; P172-F249 HydrophobicContact CB-CE1 4.4Å; P172-F249 HydrophobicContact CB-CE2 3.8Å; P172-F249 HydrophobicContact CB-CG 3.79Å; P172-F249 HydrophobicContact CB-CZ 4.2Å; P172-F249 HydrophobicContact CG-CB 3.91Å; P172-F249 HydrophobicContact CG-CD1 4.29Å; P172-F249 HydrophobicContact CG-CD2 3.97Å; P172-F249 HydrophobicContact CG-CG 3.76Å; P172-Y254 HydrophobicContact CG-CE2 4.26Å
173	L	93.1	Very high	95.2	Very high	33 Å²	33	41.7 Å²	41.7	17%	0.173	20%	0.2	C	C	.	.	S	Bend	trans	-95.9	34.2	179.3	-66.6	162.2	0	0	0	111.2	R170 I246 W523 V527	R170-L173 CarbonylContact O-C 3.58Å; R170-L173 WeakPolarHBondContact O-CA 3.46Å; R170-L173 PolarHBondContact O-N 3.35Å; L173-I246 HydrophobicContact CD2-CD1 4.45Å; L173-I246 HydrophobicContact CD2-CG2 3.6Å; L173-I246 HydrophobicContact CG-CG2 4.5Å; L173-W523 HydrophobicContact CD1-CZ3 4.16Å; L173-W523 HydrophobicContact CD2-CZ3 4.33Å; L173-V527 HydrophobicContact CD1-CG2 4.37Å; L173-V527 HydrophobicContact CD2-CG2 4.26Å
174	D	94	Very high	95.2	Very high	6 Å²	6	40.4 Å²	40.4	3%	0.032	19%	0.189	C	C	.	.			trans	-99.4	152.5	-170.1	56.9	-42.5	0	0	0	113.3	R170 P172 Q176 R244	R170-D174 HydrophobicContact CB-CB 4.35Å; P172-D174 VanDerWaalsContact C-N 3.26Å; P172-D174 VanDerWaalsContact C-OD1 3.22Å; P172-D174 WeakPolarHBondContact CA-OD1 2.86Å; P172-D174 PolarHBondContact O-N 3.16Å; D174-Q176 PolarHBondContact OD2-NE2 2.96Å; D174-R244 PolarHBondContact O-N 2.99Å; D174-R244 WeakPolarHBondContact OD1-CD 3.49Å; D174-R244 IonicContact OD1-CZ 3.68Å; D174-R244 IonicContact OD1-NE 3.44Å; D174-R244 PolarHBondContact OD1-NE 2.89Å; D174-R244 IonicContact OD2-NE 3.76Å; D174-R244 IonicContact OD2-NH2 3.04Å
175	E	94.6	Very high	95.2	Very high	93 Å²	93	48.2 Å²	48.2	44%	0.435	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	129.8	166.1	-63.3	-173.5	163.7	0	0	107.9	K241 L242 K243	E175-K241 WeakPolarHBondContact OE2-CE 3.37Å; E175-K241 IonicContact OE2-NZ 3.97Å; E175-K241 PolarHBondContact OE2-NZ 2.8Å; E175-L242 CarbonylContact C-O 3.51Å; E175-L242 WeakPolarHBondContact CA-O 3.12Å; E175-K243 HydrophobicContact CG-CB 4.41Å; E175-K243 HydrophobicContact CG-CG 4.33Å; E175-K243 IonicContact OE1-NZ 2.67Å
176	Q	95.8	Very high	95.3	Very high	7 Å²	7	42.3 Å²	42.3	3%	0.033	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	135.2	-177.1	-59.9	-57.9	-24.5	0	0	110.5	M166 D167 D174 L242	M166-Q176 HydrophobicContact CB-CG 4.4Å; M166-Q176 HydrophobicContact CG-CG 4.27Å; D167-Q176 PolarHBondContact O-NE2 2.79Å; D174-Q176 PolarHBondContact OD2-NE2 2.96Å; Q176-L242 HydrophobicContact CB-CB 4.46Å; Q176-L242 PolarHBondContact N-O 3.36Å; Q176-L242 PolarHBondContact O-N 3.12Å
177	N	96.2	Very high	95.4	Very high	103 Å²	103	44.2 Å²	44.2	55%	0.551	21%	0.209	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-105.4	104.8	174.3	-69.7	-22.4	0	0	0	108.9	F240	N177-F240 WeakPolarHBondContact CA-O 3.48Å
178	C	96.9	Very high	95.6	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.007	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	130.1	178.1	-67.7	0	0	0	0	110.6	Y85 C164 F240 L242	Y85-C178 HydrophobicContact CD1-CB 3.92Å; Y85-C178 HydrophobicContact CE1-CB 3.68Å; C164-C178 HydrophobicContact CB-CB 3.76Å; C164-C178 WeakPolarHBondContact CB-SG 3.29Å; C164-C178 WeakPolarHBondContact SG-CA 3.22Å; C164-C178 WeakPolarHBondContact SG-CB 3.46Å; C164-C178 CovalentContact SG-SG 2.04Å; C164-C178 PolarHBondContact SG-SG 2.72Å; C178-F240 PolarHBondContact N-O 3.41Å; C178-F240 PolarHBondContact O-N 3.22Å; C178-L242 HydrophobicContact CB-CD1 4.39Å
179	T	96.8	Very high	95.7	Very high	39 Å²	39	42.9 Å²	42.9	24%	0.239	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	141.7	-174	56.1	0	0	0	0	111.8	Y85 L238	Y85-T179 VanDerWaalsContact OH-C 3.26Å; Y85-T179 PolarHBondContact OH-O 2.84Å; T179-L238 CarbonylContact C-O 3.55Å; T179-L238 WeakPolarHBondContact CA-O 3.36Å
180	L	97.3	Very high	95.9	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	105.1	164.4	-176.6	72	0	0	0	108.3	Y85 L87 M89 F126 T160 A162 I182 S237 L238	Y85-L180 PolarHBondContact OH-N 3.28Å; L87-L180 HydrophobicContact CD2-CD2 3.91Å; M89-L180 HydrophobicContact CE-CD2 3.87Å; M89-L180 HydrophobicContact SD-CD2 3.92Å; F126-L180 HydrophobicContact CB-CD1 4.47Å; F126-L180 HydrophobicContact CD1-CD1 3.77Å; F126-L180 HydrophobicContact CD1-CD2 4.35Å; F126-L180 HydrophobicContact CD1-CG 4.07Å; F126-L180 HydrophobicContact CE1-CD1 4.37Å; F126-L180 HydrophobicContact CE1-CD2 4.19Å; F126-L180 HydrophobicContact CE1-CG 4.41Å; F126-L180 HydrophobicContact CG-CD1 4.26Å; T160-L180 HydrophobicContact CG2-CD1 4.26Å; A162-L180 HydrophobicContact CB-CD1 4.23Å; L180-I182 HydrophobicContact CG-CG1 4.46Å; L180-S237 WeakPolarHBondContact O-CA 3.15Å; L180-L238 HydrophobicContact CB-CB 4.38Å; L180-L238 PolarHBondContact N-O 3.47Å; L180-L238 PolarHBondContact O-N 3.49Å
181	E	97.1	Very high	96.1	Very high	17 Å²	17	38.1 Å²	38.1	8%	0.079	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	127.4	177.8	-56.6	-77.8	143.5	0	0	110	F126 L127 N128 K224 R235 L236 S237	F126-E181 WeakPolarHBondContact CA-O 3.31Å; L127-E181 HydrophobicContact CB-CB 4Å; L127-E181 HydrophobicContact CD2-CB 4.45Å; L127-E181 PolarHBondContact N-O 2.79Å; N128-E181 WeakPolarHBondContact OD1-CB 3.41Å; N128-E181 WeakPolarHBondContact OD1-CG 3.34Å; N128-E181 PolarHBondContact OD1-N 2.95Å; E181-K224 IonicContact OE1-NZ 2.93Å; E181-K224 VanDerWaalsContact OE2-CE 3.24Å; E181-K224 WeakPolarHBondContact OE2-CE 3.24Å; E181-K224 IonicContact OE2-NZ 3.15Å; E181-K224 PolarHBondContact OE2-NZ 2.93Å; E181-R235 WeakPolarHBondContact OE2-CD 3.24Å; E181-L236 WeakPolarHBondContact CA-O 3.5Å; E181-S237 VanDerWaalsContact CD-CB 3.49Å; E181-S237 VanDerWaalsContact CD-OG 3.31Å; E181-S237 WeakPolarHBondContact OE1-CB 3.48Å; E181-S237 PolarHBondContact OE1-OG 3.35Å
182	I	97.9	Very high	96.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	129	-176.4	-50.9	166.4	0	0	0	108.5	M68 I70 F91 F126 L180 W196 R235 L236	M68-I182 HydrophobicContact CE-CG2 3.91Å; M68-I182 HydrophobicContact SD-CB 4.45Å; M68-I182 HydrophobicContact SD-CD1 4.38Å; M68-I182 HydrophobicContact SD-CG2 3.65Å; I70-I182 HydrophobicContact CD1-CD1 3.79Å; F91-I182 HydrophobicContact CE2-CD1 4.03Å; F91-I182 HydrophobicContact CZ-CG2 4.07Å; F126-I182 HydrophobicContact CD1-CG1 3.83Å; F126-I182 HydrophobicContact CE1-CD1 4.26Å; F126-I182 HydrophobicContact CE1-CG1 3.78Å; F126-I182 HydrophobicContact CE1-CG2 4.49Å; L180-I182 HydrophobicContact CG-CG1 4.46Å; I182-W196 HydrophobicContact CD1-CH2 4.06Å; I182-R235 CarbonylContact O-C 3.6Å; I182-R235 WeakPolarHBondContact O-CA 3.38Å; I182-R235 WeakPolarHBondContact O-CG 3.36Å; I182-L236 HydrophobicContact CB-CB 4.4Å; I182-L236 PolarHBondContact N-O 2.88Å; I182-L236 PolarHBondContact O-N 2.98Å
183	E	97.6	Very high	96.4	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	155.7	-170.8	-176.8	162.9	-157.3	0	0	111.9	T124 Y125 V226 F228 Y233 R235	T124-E183 CarbonylContact C-O 3.49Å; T124-E183 WeakPolarHBondContact CA-O 3.37Å; Y125-E183 HydrophobicContact CD1-CB 4.4Å; Y125-E183 WeakPolarHBondContact CD1-O 3.45Å; Y125-E183 HydrophobicContact CE1-CB 3.79Å; Y125-E183 HydrophobicContact CE1-CG 3.84Å; Y125-E183 PolarHBondContact N-O 3.15Å; Y125-E183 PolarHBondContact O-N 2.96Å; Y125-E183 PolarHBondContact OH-OE2 2.8Å; E183-V226 WeakPolarHBondContact OE1-CG2 3.24Å; E183-F228 VanDerWaalsContact OE1-CE2 3.29Å; E183-F228 WeakPolarHBondContact OE1-CE2 3.4Å; E183-Y233 WeakPolarHBondContact OE1-CB 3.23Å; E183-R235 HydrophobicContact CB-CG 4.38Å; E183-R235 IonicContact OE1-CZ 3.47Å; E183-R235 IonicContact OE1-NE 3.37Å; E183-R235 IonicContact OE1-NH2 2.74Å; E183-R235 PolarHBondContact OE1-NH2 2.68Å; E183-R235 IonicContact OE2-CZ 2.97Å; E183-R235 IonicContact OE2-NE 3.67Å; E183-R235 PolarHBondContact OE2-NE 2.88Å; E183-R235 IonicContact OE2-NH2 3.75Å; E183-R235 PolarHBondContact OE2-NH2 3.31Å
184	S	97.2	Very high	96.6	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	137.9	170.4	175.5	0	0	0	0	109.6	D123 Y187 Y233	D123-S184 PolarHBondContact OD1-OG 3.2Å; S184-Y187 PolarHBondContact OG-N 2.81Å; S184-Y187 PolarHBondContact OG-O 2.9Å; S184-Y233 WeakPolarHBondContact O-CD1 3.31Å
185	Y	96.3	Very high	96.7	Very high	169 Å²	169	45.7 Å²	45.7	66%	0.663	23%	0.229	S	C	*	.	S	Bend	trans	-81.7	-53	-175.3	-172.2	-102.6	0	0	0	112.9	D123 Y125 Y233	D123-Y185 PolarHBondContact O-N 2.86Å; Y125-Y185 HydrophobicContact CD1-CD2 4.09Å; Y125-Y185 HydrophobicContact CD1-CG 4.41Å; Y125-Y185 AromaticContact CE1-CD2 3.92Å; Y125-Y185 HydrophobicContact CE1-CD2 3.92Å; Y125-Y185 HydrophobicContact CE1-CG 4.44Å; Y185-Y233 WeakPolarHBondContact O-CE1 3.15Å
186	G	95.4	Very high	96.9	Very high	45 Å²	45	42.6 Å²	42.6	46%	0.464	21%	0.214	S	C	.	.	S	Bend	trans	-100.5	-32.8	-173.4	0	0	0	0	0	114.2	D123	D123-G186 WeakPolarHBondContact OD2-CA 3.3Å; D123-G186 PolarHBondContact OD2-N 3.49Å
187	Y	97	Very high	96.8	Very high	53 Å²	53	48.4 Å²	48.4	21%	0.208	24%	0.235	C	C	.	.			trans	-88.7	128.2	-175.3	-61.1	-74.5	0	0	0	111.6	R56 W120 D123 S184 D191 Y233	R56-Y187 HydrophobicContact CB-CE1 4.28Å; R56-Y187 HydrophobicContact CG-CE1 4.49Å; W120-Y187 HydrophobicContact CZ2-CE2 4.01Å; W120-Y187 AromaticContact NE1-CZ 3.81Å; W120-Y187 PolarHBondContact NE1-OH 3.21Å; W120-Y187 VanDerWaalsContact NE1-OH 3.13Å; D123-Y187 WeakPolarHBondContact OD1-CD2 3.47Å; S184-Y187 PolarHBondContact OG-N 2.81Å; S184-Y187 PolarHBondContact OG-O 2.9Å; Y187-D191 HydrophobicContact CD1-CB 3.79Å; Y187-D191 HydrophobicContact CG-CB 4.26Å; Y187-Y233 VanDerWaalsContact O-CD1 3.22Å; Y187-Y233 WeakPolarHBondContact O-CD1 3.2Å
188	T	97.3	Very high	96.2	Very high	25 Å²	25	46.4 Å²	46.4	15%	0.153	24%	0.239	C	C	.	.			trans	-80.1	175.4	175.4	65	0	0	0	0	111.1	D190 D191 I192 S232 Y233	T188-D190 PolarHBondContact O-N 3.11Å; T188-D190 VanDerWaalsContact O-N 3.09Å; T188-D191 PolarHBondContact O-N 3.14Å; T188-I192 PolarHBondContact O-N 3.41Å; T188-S232 CarbonylContact C-O 3.36Å; T188-S232 WeakPolarHBondContact CA-O 3.44Å; T188-S232 WeakPolarHBondContact CB-O 3.48Å; T188-Y233 HydrophobicContact CG2-CE1 4.22Å
189	T	96.6	Very high	95.7	Very high	27 Å²	27	48.3 Å²	48.3	17%	0.166	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-20.3	175.1	49.3	0	0	0	0	113.9	D191 I192 N225 S232 P234	T189-D191 VanDerWaalsContact C-N 3.3Å; T189-I192 WeakPolarHBondContact CA-O 3.35Å; T189-N225 HydrophobicContact CG2-CB 4.35Å; T189-S232 WeakPolarHBondContact CG2-OG 3.5Å; T189-S232 PolarHBondContact N-O 2.8Å; T189-S232 PolarHBondContact OG1-OG 3.07Å; T189-P234 HydrophobicContact CG2-CB 4.31Å
190	D	96.1	Very high	95	Very high	120 Å²	120	53.2 Å²	53.2	64%	0.642	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-20.6	177.2	-60.8	-22.3	0	0	0	112.3	T188	T188-D190 PolarHBondContact O-N 3.11Å; T188-D190 VanDerWaalsContact O-N 3.09Å
191	D	96.9	Very high	94.6	Very high	47 Å²	47	56 Å²	56	25%	0.251	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-33.1	-177.2	-75.7	-45.1	0	0	0	113.3	R56 P63 V64 Y187 T188 T189	R56-D191 IonicContact CZ-OD1 3.29Å; R56-D191 IonicContact NE-OD1 3.02Å; R56-D191 PolarHBondContact NE-OD1 3.15Å; R56-D191 IonicContact NH2-OD1 3.15Å; R56-D191 PolarHBondContact NH2-OD1 3.09Å; P63-D191 WeakPolarHBondContact CA-O 3.46Å; V64-D191 PolarHBondContact N-O 3.14Å; Y187-D191 HydrophobicContact CD1-CB 3.79Å; Y187-D191 HydrophobicContact CG-CB 4.26Å; T188-D191 PolarHBondContact O-N 3.14Å; T189-D191 VanDerWaalsContact C-N 3.3Å
192	I	97.4	Very high	94.5	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	142.1	-175.2	-160.6	162.4	0	0	0	111.5	V64 V66 W120 P122 T188 T189 F194 P234	V64-I192 HydrophobicContact CG1-CB 4.21Å; V64-I192 HydrophobicContact CG1-CD1 4.13Å; V64-I192 HydrophobicContact CG1-CG1 3.75Å; V64-I192 WeakPolarHBondContact O-CA 3.35Å; V64-I192 WeakPolarHBondContact O-CG1 3.36Å; V66-I192 HydrophobicContact CG2-CD1 3.77Å; V66-I192 HydrophobicContact CG2-CG1 3.81Å; W120-I192 HydrophobicContact CH2-CD1 4.37Å; P122-I192 HydrophobicContact CB-CD1 4.04Å; T188-I192 PolarHBondContact O-N 3.41Å; T189-I192 WeakPolarHBondContact CA-O 3.35Å; I192-F194 HydrophobicContact CD1-CD1 4.49Å; I192-F194 HydrophobicContact CD1-CE1 3.6Å; I192-F194 HydrophobicContact CD1-CZ 4.23Å; I192-F194 HydrophobicContact CG1-CD1 4.21Å; I192-F194 HydrophobicContact CG1-CE1 3.77Å; I192-P234 HydrophobicContact CG2-CG 3.82Å
193	E	97.1	Very high	94.3	Very high	104 Å²	104	55.4 Å²	55.4	49%	0.486	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	135	174.5	-73.4	-178.5	179.7	0	0	110.2	P63 V64 V66	P63-E193 HydrophobicContact CB-CG 4.05Å; P63-E193 HydrophobicContact CG-CG 4.02Å; P63-E193 WeakPolarHBondContact CG-OE1 3.17Å; V64-E193 PolarHBondContact O-N 3.06Å; V66-E193 PolarHBondContact N-O 3.22Å
194	F	97.4	Very high	94.2	Very high	12 Å²	12	57.7 Å²	57.7	5%	0.053	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	138.5	177.6	-67.6	-18.2	0	0	0	112.2	V66 M68 T124 I192 P234 L236	V66-F194 HydrophobicContact CB-CD1 3.93Å; V66-F194 HydrophobicContact CB-CE1 4.05Å; V66-F194 HydrophobicContact CG2-CE1 4.36Å; M68-F194 HydrophobicContact CE-CB 4.46Å; M68-F194 HydrophobicContact CE-CD1 3.62Å; M68-F194 HydrophobicContact CE-CD2 3.59Å; M68-F194 HydrophobicContact CE-CE1 3.53Å; M68-F194 HydrophobicContact CE-CE2 3.5Å; M68-F194 HydrophobicContact CE-CG 3.65Å; M68-F194 HydrophobicContact CE-CZ 3.48Å; M68-F194 VanDerWaalsContact CE-CZ 3.48Å; T124-F194 HydrophobicContact CG2-CE1 4.21Å; T124-F194 HydrophobicContact CG2-CE2 4.33Å; T124-F194 HydrophobicContact CG2-CZ 3.63Å; I192-F194 HydrophobicContact CD1-CD1 4.49Å; I192-F194 HydrophobicContact CD1-CE1 3.6Å; I192-F194 HydrophobicContact CD1-CZ 4.23Å; I192-F194 HydrophobicContact CG1-CD1 4.21Å; I192-F194 HydrophobicContact CG1-CE1 3.77Å; F194-P234 HydrophobicContact CB-CB 4.21Å; F194-P234 HydrophobicContact CD2-CB 4.13Å; F194-P234 HydrophobicContact CD2-CG 4.02Å; F194-P234 HydrophobicContact CE2-CG 4.32Å; F194-P234 HydrophobicContact CG-CB 4.19Å; F194-P234 HydrophobicContact CG-CG 4.17Å; F194-L236 HydrophobicContact CB-CD1 3.97Å; F194-L236 HydrophobicContact CB-CD2 4.08Å; F194-L236 HydrophobicContact CB-CG 3.76Å
195	Y	96.8	Very high	93.9	Very high	97 Å²	97	58.2 Å²	58.2	38%	0.38	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	153.4	174.3	68.3	-84.7	0	0	0	111.9	A65 V66 G67 M68 R197	A65-Y195 HydrophobicContact CB-CD1 4.44Å; A65-Y195 HydrophobicContact CB-CE1 3.92Å; V66-Y195 VanDerWaalsContact C-CE1 3.49Å; V66-Y195 PolarHBondContact O-N 2.9Å; G67-Y195 VanDerWaalsContact CA-CE1 3.46Å; G67-Y195 WeakPolarHBondContact CA-O 3.39Å; G67-Y195 VanDerWaalsContact N-CE1 3.27Å; M68-Y195 PolarHBondContact N-O 2.76Å; Y195-R197 HydrophobicContact CE2-CB 4.37Å; Y195-R197 PolarHBondContact O-N 3.32Å
196	W	96.9	Very high	93.6	Very high	28 Å²	28	50.7 Å²	50.7	11%	0.106	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	114.3	174.2	-69.2	111.7	0	0	0	110.1	I70 I182 G198 G199 A202 V203 L221 I222 L236 L238	I70-W196 HydrophobicContact CD1-CH2 3.76Å; I70-W196 HydrophobicContact CD1-CZ3 3.72Å; I70-W196 HydrophobicContact CG1-CZ3 4Å; I182-W196 HydrophobicContact CD1-CH2 4.06Å; W196-G198 PolarHBondContact O-N 3.33Å; W196-G198 VanDerWaalsContact O-N 3.07Å; W196-G199 PolarHBondContact O-N 2.58Å; W196-A202 HydrophobicContact CB-CB 3.78Å; W196-A202 HydrophobicContact CD2-CB 4.48Å; W196-A202 HydrophobicContact CE3-CB 3.94Å; W196-A202 HydrophobicContact CG-CB 4.49Å; W196-V203 HydrophobicContact CE3-CG2 4.46Å; W196-V203 HydrophobicContact CZ3-CG2 4.04Å; W196-L221 HydrophobicContact CD2-CB 4.47Å; W196-L221 HydrophobicContact CD2-CD1 4.43Å; W196-L221 HydrophobicContact CD2-CD2 4.46Å; W196-L221 HydrophobicContact CG-CB 4.37Å; W196-L221 HydrophobicContact CG-CD1 4.44Å; W196-L221 HydrophobicContact CH2-CD2 4.37Å; W196-L221 HydrophobicContact CZ2-CD2 4.16Å; W196-I222 PolarHBondContact NE1-O 2.73Å; W196-L236 HydrophobicContact CD2-CD1 4.01Å; W196-L236 HydrophobicContact CE3-CD1 4.36Å; W196-L236 HydrophobicContact CG-CD1 4.41Å; W196-L236 HydrophobicContact CH2-CB 4.37Å; W196-L236 HydrophobicContact CZ2-CB 3.65Å; W196-L236 HydrophobicContact CZ2-CD1 4.25Å; W196-L236 HydrophobicContact CZ2-CG 4.47Å; W196-L238 HydrophobicContact CH2-CB 4.25Å; W196-L238 HydrophobicContact CZ2-CB 4.43Å
197	R	93.7	Very high	93.3	Very high	128 Å²	128	56.1 Å²	56.1	48%	0.483	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	99	-178.9	-174.4	-177.7	177.3	111.5	0.9	109.7	M68 Y195 A202	M68-R197 WeakPolarHBondContact O-CB 3.45Å; M68-R197 PolarHBondContact O-N 2.89Å; Y195-R197 HydrophobicContact CE2-CB 4.37Å; Y195-R197 PolarHBondContact O-N 3.32Å; R197-A202 WeakPolarHBondContact O-CB 3.47Å
198	G	84.9	Confident	92.9	Very high	62 Å²	62	61.7 Å²	61.7	64%	0.639	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	110.8	9.3	-178.5	0	0	0	0	0	114.4	W196 D200 G201	W196-G198 PolarHBondContact O-N 3.33Å; W196-G198 VanDerWaalsContact O-N 3.07Å; G198-D200 PolarHBondContact O-N 2.04Å; G198-G201 PolarHBondContact O-N 2.96Å
199	G	86.6	Confident	92.6	Very high	40 Å²	40	61.6 Å²	61.6	41%	0.412	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	56.6	-122.2	180	0	0	0	0	0	110.6	W196 G201 A202 L221	W196-G199 PolarHBondContact O-N 2.58Å; G199-G201 PolarHBondContact O-N 2.82Å; G199-A202 VanDerWaalsContact O-CB 3.23Å; G199-A202 WeakPolarHBondContact O-CB 3.42Å; G199-A202 PolarHBondContact O-N 2.73Å; G199-A202 VanDerWaalsContact O-N 3.1Å; G199-L221 WeakPolarHBondContact O-CD1 3.45Å
200	D	81.4	Confident	92.1	Very high	143 Å²	143	69 Å²	69	77%	0.765	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-61.1	-25.8	178.3	-57.5	-27.6	0	0	0	113.2	G198 A202	G198-D200 PolarHBondContact O-N 2.04Å; D200-A202 VanDerWaalsContact C-N 3.34Å
201	G	89.3	Confident	91.9	Very high	57 Å²	57	64.3 Å²	64.3	59%	0.588	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-86.7	4.7	177.5	0	0	0	0	0	115	G198 G199 V203	G198-G201 PolarHBondContact O-N 2.96Å; G199-G201 PolarHBondContact O-N 2.82Å; G201-V203 PolarHBondContact O-N 2.88Å
202	A	93.7	Very high	91.4	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-76.2	-8.5	-179.2	0	0	0	0	0	113.8	N69 I70 W196 R197 G199 D200 L221	N69-A202 PolarHBondContact OD1-O 2.85Å; I70-A202 PolarHBondContact N-O 2.72Å; W196-A202 HydrophobicContact CB-CB 3.78Å; W196-A202 HydrophobicContact CD2-CB 4.48Å; W196-A202 HydrophobicContact CE3-CB 3.94Å; W196-A202 HydrophobicContact CG-CB 4.49Å; R197-A202 WeakPolarHBondContact O-CB 3.47Å; G199-A202 VanDerWaalsContact O-CB 3.23Å; G199-A202 WeakPolarHBondContact O-CB 3.42Å; G199-A202 PolarHBondContact O-N 2.73Å; G199-A202 VanDerWaalsContact O-N 3.1Å; D200-A202 VanDerWaalsContact C-N 3.34Å; A202-L221 HydrophobicContact CB-CD1 4.32Å
203	V	95.3	Very high	91	Very high	5 Å²	5	71.4 Å²	71.4	3%	0.03	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	118.3	173.5	-178.6	0	0	0	0	109.1	I70 I72 W196 G201 V206 Y219 L221 L238	I70-V203 HydrophobicContact CB-CG2 4.21Å; I70-V203 CarbonylContact O-C 3.59Å; I70-V203 VanDerWaalsContact O-CA 3.26Å; I70-V203 WeakPolarHBondContact O-CA 3.33Å; I72-V203 HydrophobicContact CD1-CG1 4.01Å; I72-V203 HydrophobicContact CG1-CG1 4.32Å; W196-V203 HydrophobicContact CE3-CG2 4.46Å; W196-V203 HydrophobicContact CZ3-CG2 4.04Å; G201-V203 PolarHBondContact O-N 2.88Å; V203-V206 HydrophobicContact CG1-CG2 3.86Å; V203-Y219 HydrophobicContact CB-CE2 4.15Å; V203-L221 HydrophobicContact CB-CD2 4.22Å; V203-L221 HydrophobicContact CG2-CD1 4.13Å; V203-L221 HydrophobicContact CG2-CD2 3.39Å; V203-L221 HydrophobicContact CG2-CG 4.39Å; V203-L238 HydrophobicContact CG1-CD1 4.36Å; V203-L238 HydrophobicContact CG1-CD2 4.2Å; V203-L238 HydrophobicContact CG2-CD1 4.23Å; V203-L238 HydrophobicContact CG2-CD2 4.29Å
204	S	94.1	Very high	90.9	Very high	49 Å²	49	66.8 Å²	66.8	34%	0.343	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	164.1	178.7	65.1	0	0	0	0	111.7	I70 D71 I72 V206	I70-S204 PolarHBondContact O-N 3.3Å; D71-S204 VanDerWaalsContact CB-OG 3.31Å; D71-S204 WeakPolarHBondContact CB-OG 3.46Å; D71-S204 VanDerWaalsContact OD1-C 3.29Å; D71-S204 PolarHBondContact OD1-OG 2.96Å; I72-S204 PolarHBondContact N-O 2.96Å; S204-V206 VanDerWaalsContact C-N 3.35Å; S204-V206 PolarHBondContact O-N 3.3Å
205	G	91.1	Very high	90.7	Very high	12 Å²	12	68.2 Å²	68.2	12%	0.124	38%	0.379	C	S	.	.	S	Bend	trans	88.2	-7.2	174.2	0	0	0	0	0	115.6	D207 R208 I209	G205-D207 VanDerWaalsContact C-N 3.33Å; G205-D207 PolarHBondContact O-N 3Å; G205-R208 VanDerWaalsContact CA-NH2 3.35Å; G205-R208 PolarHBondContact O-N 3.05Å; G205-R208 VanDerWaalsContact O-N 3.15Å; G205-I209 WeakPolarHBondContact O-CG1 3.49Å
206	V	91.3	Very high	90.6	Very high	10 Å²	10	65.5 Å²	65.5	6%	0.061	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-56.8	-44.1	179.9	-171.7	0	0	0	0	112.2	I72 V203 S204 R208 I209 I216 Y219	I72-V206 HydrophobicContact CD1-CG2 3.96Å; V203-V206 HydrophobicContact CG1-CG2 3.86Å; S204-V206 VanDerWaalsContact C-N 3.35Å; S204-V206 PolarHBondContact O-N 3.3Å; V206-R208 PolarHBondContact O-N 3.43Å; V206-R208 VanDerWaalsContact O-N 3.14Å; V206-I209 WeakPolarHBondContact O-CB 3.15Å; V206-I209 WeakPolarHBondContact O-CG1 3.39Å; V206-I209 PolarHBondContact O-N 3.23Å; V206-I209 VanDerWaalsContact O-N 3.11Å; V206-I216 HydrophobicContact CG1-CD1 4.05Å; V206-I216 HydrophobicContact CG1-CG2 3.94Å; V206-Y219 HydrophobicContact CB-CD1 4.18Å; V206-Y219 HydrophobicContact CB-CE1 4.12Å; V206-Y219 HydrophobicContact CG1-CD1 3.83Å; V206-Y219 HydrophobicContact CG1-CE1 4.23Å; V206-Y219 HydrophobicContact CG2-CD1 3.96Å; V206-Y219 HydrophobicContact CG2-CE1 3.95Å; V206-Y219 HydrophobicContact CG2-CG 4.31Å
207	D	87.4	Confident	90.4	Very high	160 Å²	160	67.8 Å²	67.8	86%	0.856	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-66.4	-17	-177.2	-55.6	-33.8	0	0	0	113.8	G205	G205-D207 VanDerWaalsContact C-N 3.33Å; G205-D207 PolarHBondContact O-N 3Å
208	R	89.6	Confident	90.4	Very high	170 Å²	170	65.1 Å²	65.1	64%	0.642	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-91.3	-4.1	179.8	-58.3	-179.9	-65.1	-158.4	-2.4	112.5	D71 G205 V206 E210	D71-R208 IonicContact OD1-NH2 2.67Å; D71-R208 PolarHBondContact OD1-NH2 3.47Å; D71-R208 IonicContact OD2-NH2 3.35Å; G205-R208 VanDerWaalsContact CA-NH2 3.35Å; G205-R208 PolarHBondContact O-N 3.05Å; G205-R208 VanDerWaalsContact O-N 3.15Å; V206-R208 PolarHBondContact O-N 3.43Å; V206-R208 VanDerWaalsContact O-N 3.14Å; R208-E210 PolarHBondContact O-N 2.79Å
209	I	91.7	Very high	90.8	Very high	22 Å²	22	65.4 Å²	65.4	11%	0.113	37%	0.365	C	S	.	.			trans	-86.4	114.1	-174.4	-56.5	169.6	0	0	0	109	I72 I75 G205 V206 L211 I216	I72-I209 HydrophobicContact CB-CD1 4Å; I72-I209 HydrophobicContact CD1-CD1 4.26Å; I72-I209 HydrophobicContact CG2-CD1 3.4Å; I72-I209 VanDerWaalsContact CG2-CD1 3.4Å; I72-I209 HydrophobicContact CG2-CG1 4.26Å; I75-I209 HydrophobicContact CB-CG2 4.21Å; I75-I209 HydrophobicContact CD1-CD1 4.25Å; I75-I209 HydrophobicContact CD1-CG2 4.3Å; I75-I209 HydrophobicContact CG1-CD1 4.29Å; I75-I209 HydrophobicContact CG1-CG2 4.25Å; G205-I209 WeakPolarHBondContact O-CG1 3.49Å; V206-I209 WeakPolarHBondContact O-CB 3.15Å; V206-I209 WeakPolarHBondContact O-CG1 3.39Å; V206-I209 PolarHBondContact O-N 3.23Å; V206-I209 VanDerWaalsContact O-N 3.11Å; I209-L211 HydrophobicContact CG2-CG 4.18Å; I209-I216 HydrophobicContact CB-CD1 3.86Å; I209-I216 HydrophobicContact CD1-CD1 3.95Å; I209-I216 HydrophobicContact CG2-CD1 3.91Å
210	E	86.2	Confident	91.2	Very high	184 Å²	184	69.4 Å²	69.4	86%	0.86	37%	0.371	S	S	*	.			trans	-104.9	115.2	171.2	-67.4	-178.2	179.7	0	0	109.4	R208	R208-E210 PolarHBondContact O-N 2.79Å
211	L	90.3	Very high	91.9	Very high	21 Å²	21	64.5 Å²	64.5	11%	0.11	35%	0.345	C	S	.	.			trans	-100.9	136.2	173.7	-75.8	168.2	0	0	0	109.2	I75 I209 Q213 F214 I216 L242	I75-L211 HydrophobicContact CB-CD1 4.4Å; I75-L211 HydrophobicContact CB-CD2 3.91Å; I75-L211 HydrophobicContact CB-CG 4.45Å; I75-L211 HydrophobicContact CD1-CD1 4.33Å; I75-L211 HydrophobicContact CG2-CD1 4.3Å; I75-L211 HydrophobicContact CG2-CD2 3.82Å; I75-L211 WeakPolarHBondContact O-CD2 3.11Å; I209-L211 HydrophobicContact CG2-CG 4.18Å; L211-Q213 PolarHBondContact O-N 3.38Å; L211-F214 HydrophobicContact CB-CB 4.11Å; L211-F214 VanDerWaalsContact CB-O 3.24Å; L211-F214 WeakPolarHBondContact CB-O 3.35Å; L211-F214 HydrophobicContact CD1-CB 4Å; L211-I216 HydrophobicContact CD1-CG1 4.33Å; L211-L242 HydrophobicContact CD1-CD2 4.21Å
212	P	87.6	Confident	92.1	Very high	118 Å²	118	65.5 Å²	65.5	77%	0.766	34%	0.336	S	S	*	.	S	Bend	trans	-69.8	-35.6	-177	25.1	-33.2	0	0	0	112.8
213	Q	89.4	Confident	92.2	Very high	78 Å²	78	68.9 Å²	68.9	36%	0.364	36%	0.36	S	S	.	.	S	Bend	trans	-106.6	-13.8	-174.6	-68.7	-177.6	-36.8	0	0	113.9	L211 N245	L211-Q213 PolarHBondContact O-N 3.38Å; Q213-N245 PolarHBondContact O-N 2.96Å
214	F	93.6	Very high	92.2	Very high	6 Å²	6	72.2 Å²	72.2	3%	0.026	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	159.4	-175.2	-66.9	-89.7	0	0	0	110.6	V78 E80 L211 L242 K243 R244	V78-F214 HydrophobicContact CB-CD2 4.12Å; V78-F214 HydrophobicContact CB-CE2 3.74Å; V78-F214 HydrophobicContact CB-CZ 4.39Å; V78-F214 HydrophobicContact CG1-CD2 4.42Å; V78-F214 HydrophobicContact CG1-CE2 3.76Å; V78-F214 HydrophobicContact CG1-CZ 3.9Å; V78-F214 HydrophobicContact CG2-CD2 4.25Å; V78-F214 HydrophobicContact CG2-CE2 4.35Å; E80-F214 WeakPolarHBondContact OE1-CZ 3.07Å; L211-F214 HydrophobicContact CB-CB 4.11Å; L211-F214 VanDerWaalsContact CB-O 3.24Å; L211-F214 WeakPolarHBondContact CB-O 3.35Å; L211-F214 HydrophobicContact CD1-CB 4Å; F214-L242 HydrophobicContact CD1-CB 4.09Å; F214-K243 CarbonylContact C-O 3.57Å; F214-K243 WeakPolarHBondContact CA-O 3.39Å; F214-R244 HydrophobicContact CD1-CB 4.23Å; F214-R244 HydrophobicContact CE1-CB 4.18Å; F214-R244 HydrophobicContact CE1-CG 4.4Å; F214-R244 VanDerWaalsContact CZ-NH2 3.29Å
215	S	93.8	Very high	92.3	Very high	42 Å²	42	74.9 Å²	74.9	29%	0.294	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	137.9	168.4	53.4	0	0	0	0	108.1	V217 K243	S215-V217 PolarHBondContact O-N 2.86Å; S215-K243 PolarHBondContact N-O 3.14Å; S215-K243 PolarHBondContact O-N 2.88Å; S215-K243 PolarHBondContact OG-O 3.36Å; S215-K243 VanDerWaalsContact OG-O 3.07Å
216	I	94.4	Very high	92.5	Very high	41 Å²	41	75.5 Å²	75.5	21%	0.21	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	117	174	-54.2	176.1	0	0	0	106.6	I75 V206 I209 L211 L242	I75-I216 HydrophobicContact CD1-CD1 4.07Å; V206-I216 HydrophobicContact CG1-CD1 4.05Å; V206-I216 HydrophobicContact CG1-CG2 3.94Å; I209-I216 HydrophobicContact CB-CD1 3.86Å; I209-I216 HydrophobicContact CD1-CD1 3.95Å; I209-I216 HydrophobicContact CG2-CD1 3.91Å; L211-I216 HydrophobicContact CD1-CG1 4.33Å; I216-L242 HydrophobicContact CG1-CD2 3.87Å
217	V	93.2	Very high	92.8	Very high	75 Å²	75	80.8 Å²	80.8	46%	0.455	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	-44.3	-179.7	178.7	0	0	0	0	110.9	S215 K241 K243	S215-V217 PolarHBondContact O-N 2.86Å; V217-K241 HydrophobicContact CB-CB 4.47Å; V217-K241 HydrophobicContact CB-CD 4.43Å; V217-K241 HydrophobicContact CB-CG 4.33Å; V217-K241 HydrophobicContact CG1-CD 4.43Å; V217-K241 PolarHBondContact N-O 2.66Å; V217-K243 HydrophobicContact CG2-CB 3.37Å; V217-K243 HydrophobicContact CG2-CD 4.05Å; V217-K243 HydrophobicContact CG2-CG 4.37Å
218	D	93.5	Very high	93.1	Very high	72 Å²	72	77.7 Å²	77.7	39%	0.385	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	159.3	-174.1	-169.5	21.3	0	0	0	109.7	K220 K241	D218-K220 WeakPolarHBondContact OD2-CE 3.05Å; D218-K241 HydrophobicContact CB-CB 4.23Å; D218-K241 WeakPolarHBondContact O-CB 3.41Å; D218-K241 PolarHBondContact O-N 2.92Å
219	Y	94.1	Very high	93.4	Very high	68 Å²	68	75.8 Å²	75.8	27%	0.267	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	148	168.7	69.5	-84.6	0	0	0	110.9	V203 V206 L221 L238 S239	V203-Y219 HydrophobicContact CB-CE2 4.15Å; V206-Y219 HydrophobicContact CB-CD1 4.18Å; V206-Y219 HydrophobicContact CB-CE1 4.12Å; V206-Y219 HydrophobicContact CG1-CD1 3.83Å; V206-Y219 HydrophobicContact CG1-CE1 4.23Å; V206-Y219 HydrophobicContact CG2-CD1 3.96Å; V206-Y219 HydrophobicContact CG2-CE1 3.95Å; V206-Y219 HydrophobicContact CG2-CG 4.31Å; Y219-L221 HydrophobicContact CD2-CD2 4.37Å; Y219-L238 HydrophobicContact CD2-CD1 4.12Å; Y219-S239 CarbonylContact C-O 3.59Å; Y219-S239 WeakPolarHBondContact CA-O 3.28Å; Y219-S239 WeakPolarHBondContact CB-O 3.43Å
220	K	94.5	Very high	93.6	Very high	125 Å²	125	79.6 Å²	79.6	54%	0.543	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	138.6	-176.6	-64.8	-176.1	179.1	-178.8	0	111.3	D218 S239	D218-K220 WeakPolarHBondContact OD2-CE 3.05Å; K220-S239 PolarHBondContact N-O 3.11Å; K220-S239 PolarHBondContact O-N 2.73Å
221	L	95.4	Very high	94	Very high	40 Å²	40	72 Å²	72	21%	0.209	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	121.6	174.8	-53.5	-178.3	0	0	0	108.8	W196 G199 A202 V203 Y219 L238	W196-L221 HydrophobicContact CD2-CB 4.47Å; W196-L221 HydrophobicContact CD2-CD1 4.43Å; W196-L221 HydrophobicContact CD2-CD2 4.46Å; W196-L221 HydrophobicContact CG-CB 4.37Å; W196-L221 HydrophobicContact CG-CD1 4.44Å; W196-L221 HydrophobicContact CH2-CD2 4.37Å; W196-L221 HydrophobicContact CZ2-CD2 4.16Å; G199-L221 WeakPolarHBondContact O-CD1 3.45Å; A202-L221 HydrophobicContact CB-CD1 4.32Å; V203-L221 HydrophobicContact CB-CD2 4.22Å; V203-L221 HydrophobicContact CG2-CD1 4.13Å; V203-L221 HydrophobicContact CG2-CD2 3.39Å; V203-L221 HydrophobicContact CG2-CG 4.39Å; Y219-L221 HydrophobicContact CD2-CD2 4.37Å; L221-L238 HydrophobicContact CD2-CB 4.49Å; L221-L238 HydrophobicContact CD2-CD1 3.56Å
222	I	94.5	Very high	94.3	Very high	77 Å²	77	72.6 Å²	72.6	40%	0.395	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	138.2	-179.8	-57.3	170.1	0	0	0	107.9	W196 K224 L236 S237	W196-I222 PolarHBondContact NE1-O 2.73Å; I222-K224 HydrophobicContact CG2-CD 4.47Å; I222-L236 WeakPolarHBondContact O-CA 3.37Å; I222-S237 PolarHBondContact N-O 3.47Å; I222-S237 PolarHBondContact O-N 3.16Å
223	S	95.1	Very high	94.8	Very high	72 Å²	72	68 Å²	68	50%	0.503	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	129.9	167.8	-178.5	0	0	0	0	108.4	L236	S223-L236 WeakPolarHBondContact OG-CD2 3.34Å
224	K	94.9	Very high	95.2	Very high	74 Å²	74	64.5 Å²	64.5	32%	0.322	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	154.9	-177.3	65.7	-169.6	180	-160.2	0	110.8	E181 I222 V226 R235	E181-K224 IonicContact OE1-NZ 2.93Å; E181-K224 VanDerWaalsContact OE2-CE 3.24Å; E181-K224 WeakPolarHBondContact OE2-CE 3.24Å; E181-K224 IonicContact OE2-NZ 3.15Å; E181-K224 PolarHBondContact OE2-NZ 2.93Å; I222-K224 HydrophobicContact CG2-CD 4.47Å; K224-V226 HydrophobicContact CG-CG1 4.34Å; K224-R235 HydrophobicContact CG-CB 4.18Å; K224-R235 PolarHBondContact N-O 3.04Å; K224-R235 CarbonylContact O-C 3.59Å; K224-R235 WeakPolarHBondContact O-CA 3.25Å; K224-R235 PolarHBondContact O-N 3.07Å
225	N	96.1	Very high	95.4	Very high	106 Å²	106	65.6 Å²	65.6	57%	0.567	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.8	139	169	-64.9	-16.3	0	0	0	109	T189 Y233	T189-N225 HydrophobicContact CG2-CB 4.35Å; N225-Y233 WeakPolarHBondContact CA-O 3.39Å
226	V	96.1	Very high	95.6	Very high	25 Å²	25	63.6 Å²	63.6	15%	0.152	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	142.7	-179.3	-66.6	0	0	0	0	109.7	E183 K224 F228 S232 Y233 R235	E183-V226 WeakPolarHBondContact OE1-CG2 3.24Å; K224-V226 HydrophobicContact CG-CG1 4.34Å; V226-F228 HydrophobicContact CB-CE2 4.43Å; V226-F228 HydrophobicContact CG2-CD2 4.34Å; V226-F228 HydrophobicContact CG2-CE2 3.78Å; V226-S232 CarbonylContact O-C 3.56Å; V226-S232 WeakPolarHBondContact O-CA 3.44Å; V226-Y233 WeakPolarHBondContact CG2-O 3.25Å; V226-Y233 PolarHBondContact N-O 3.09Å; V226-Y233 PolarHBondContact O-N 3.42Å; V226-R235 HydrophobicContact CG1-CB 4.35Å; V226-R235 HydrophobicContact CG2-CB 4.22Å
227	V	96.5	Very high	95.6	Very high	121 Å²	121	61.7 Å²	61.7	73%	0.733	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.1	124.2	-175.4	-176.6	0	0	0	0	109.2
228	F	95.3	Very high	95.8	Very high	95 Å²	95	58.1 Å²	58.1	42%	0.417	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	174.8	170.4	-70.5	-83.7	0	0	0	110.2	E183 V226 T230 G231 Y233 R235	E183-F228 VanDerWaalsContact OE1-CE2 3.29Å; E183-F228 WeakPolarHBondContact OE1-CE2 3.4Å; V226-F228 HydrophobicContact CB-CE2 4.43Å; V226-F228 HydrophobicContact CG2-CD2 4.34Å; V226-F228 HydrophobicContact CG2-CE2 3.78Å; F228-T230 PolarHBondContact O-N 2.82Å; F228-G231 PolarHBondContact N-O 3.18Å; F228-G231 PolarHBondContact O-N 2.76Å; F228-Y233 HydrophobicContact CB-CD2 4.46Å; F228-Y233 HydrophobicContact CB-CE2 4.25Å; F228-Y233 AromaticContact CD2-CD2 3.74Å; F228-Y233 HydrophobicContact CD2-CD2 3.74Å; F228-Y233 HydrophobicContact CD2-CE2 4.23Å; F228-R235 VanDerWaalsContact CZ-NH2 3.34Å
229	S	95.4	Very high	95.9	Very high	130 Å²	130	55.7 Å²	55.7	91%	0.909	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-26.6	174.6	51.4	0	0	0	0	113.3
230	T	95	Very high	95.9	Very high	102 Å²	102	52.5 Å²	52.5	63%	0.626	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-19.6	-179.2	51.9	0	0	0	0	113.7	F228 Y233	F228-T230 PolarHBondContact O-N 2.82Å; T230-Y233 WeakPolarHBondContact OG1-CE2 3.41Å; T230-Y233 PolarHBondContact OG1-OH 2.96Å
231	G	95.6	Very high	96	Very high	23 Å²	23	49.8 Å²	49.8	24%	0.237	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	156.3	-175.9	-176.4	0	0	0	0	0	113.9	F228 Y233	F228-G231 PolarHBondContact N-O 3.18Å; F228-G231 PolarHBondContact O-N 2.76Å; G231-Y233 WeakPolarHBondContact O-CD2 3.43Å; G231-Y233 WeakPolarHBondContact O-CE2 3.34Å
232	S	97.3	Very high	96	Very high	35 Å²	35	48 Å²	48	25%	0.245	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	131.9	173.5	171.4	0	0	0	0	109.7	T188 T189 V226	T188-S232 CarbonylContact C-O 3.36Å; T188-S232 WeakPolarHBondContact CA-O 3.44Å; T188-S232 WeakPolarHBondContact CB-O 3.48Å; T189-S232 WeakPolarHBondContact CG2-OG 3.5Å; T189-S232 PolarHBondContact N-O 2.8Å; T189-S232 PolarHBondContact OG1-OG 3.07Å; V226-S232 CarbonylContact O-C 3.56Å; V226-S232 WeakPolarHBondContact O-CA 3.44Å
233	Y	97.8	Very high	96	Very high	22 Å²	22	49.1 Å²	49.1	9%	0.086	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	141.1	-176.6	-65.2	-95.1	0	0	0	111	E183 S184 Y185 Y187 T188 N225 V226 F228 T230 G231	E183-Y233 WeakPolarHBondContact OE1-CB 3.23Å; S184-Y233 WeakPolarHBondContact O-CD1 3.31Å; Y185-Y233 WeakPolarHBondContact O-CE1 3.15Å; Y187-Y233 VanDerWaalsContact O-CD1 3.22Å; Y187-Y233 WeakPolarHBondContact O-CD1 3.2Å; T188-Y233 HydrophobicContact CG2-CE1 4.22Å; N225-Y233 WeakPolarHBondContact CA-O 3.39Å; V226-Y233 WeakPolarHBondContact CG2-O 3.25Å; V226-Y233 PolarHBondContact N-O 3.09Å; V226-Y233 PolarHBondContact O-N 3.42Å; F228-Y233 HydrophobicContact CB-CD2 4.46Å; F228-Y233 HydrophobicContact CB-CE2 4.25Å; F228-Y233 AromaticContact CD2-CD2 3.74Å; F228-Y233 HydrophobicContact CD2-CD2 3.74Å; F228-Y233 HydrophobicContact CD2-CE2 4.23Å; T230-Y233 WeakPolarHBondContact OG1-CE2 3.41Å; T230-Y233 PolarHBondContact OG1-OH 2.96Å; G231-Y233 WeakPolarHBondContact O-CD2 3.43Å; G231-Y233 WeakPolarHBondContact O-CE2 3.34Å
234	P	97.4	Very high	96	Very high	4 Å²	4	46 Å²	46	3%	0.026	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	135.3	174.9	32	-33.5	0	0	0	110.6	T189 I192 F194	T189-P234 HydrophobicContact CG2-CB 4.31Å; I192-P234 HydrophobicContact CG2-CG 3.82Å; F194-P234 HydrophobicContact CB-CB 4.21Å; F194-P234 HydrophobicContact CD2-CB 4.13Å; F194-P234 HydrophobicContact CD2-CG 4.02Å; F194-P234 HydrophobicContact CE2-CG 4.32Å; F194-P234 HydrophobicContact CG-CB 4.19Å; F194-P234 HydrophobicContact CG-CG 4.17Å
235	R	97.4	Very high	95.9	Very high	28 Å²	28	45.7 Å²	45.7	11%	0.106	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	127.9	179.5	-170	178	-66.8	168.9	0.1	111.7	E181 I182 E183 K224 V226 F228	E181-R235 WeakPolarHBondContact OE2-CD 3.24Å; I182-R235 CarbonylContact O-C 3.6Å; I182-R235 WeakPolarHBondContact O-CA 3.38Å; I182-R235 WeakPolarHBondContact O-CG 3.36Å; E183-R235 HydrophobicContact CB-CG 4.38Å; E183-R235 IonicContact OE1-CZ 3.47Å; E183-R235 IonicContact OE1-NE 3.37Å; E183-R235 IonicContact OE1-NH2 2.74Å; E183-R235 PolarHBondContact OE1-NH2 2.68Å; E183-R235 IonicContact OE2-CZ 2.97Å; E183-R235 IonicContact OE2-NE 3.67Å; E183-R235 PolarHBondContact OE2-NE 2.88Å; E183-R235 IonicContact OE2-NH2 3.75Å; E183-R235 PolarHBondContact OE2-NH2 3.31Å; K224-R235 HydrophobicContact CG-CB 4.18Å; K224-R235 PolarHBondContact N-O 3.04Å; K224-R235 CarbonylContact O-C 3.59Å; K224-R235 WeakPolarHBondContact O-CA 3.25Å; K224-R235 PolarHBondContact O-N 3.07Å; V226-R235 HydrophobicContact CG1-CB 4.35Å; V226-R235 HydrophobicContact CG2-CB 4.22Å; F228-R235 VanDerWaalsContact CZ-NH2 3.34Å
236	L	97.1	Very high	95.7	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	143.2	167.3	-60.4	-173.9	0	0	0	109.7	M68 E181 I182 F194 W196 I222 S223	M68-L236 HydrophobicContact CB-CD1 3.98Å; M68-L236 HydrophobicContact CG-CD1 3.98Å; M68-L236 HydrophobicContact SD-CD1 3.74Å; E181-L236 WeakPolarHBondContact CA-O 3.5Å; I182-L236 HydrophobicContact CB-CB 4.4Å; I182-L236 PolarHBondContact N-O 2.88Å; I182-L236 PolarHBondContact O-N 2.98Å; F194-L236 HydrophobicContact CB-CD1 3.97Å; F194-L236 HydrophobicContact CB-CD2 4.08Å; F194-L236 HydrophobicContact CB-CG 3.76Å; W196-L236 HydrophobicContact CD2-CD1 4.01Å; W196-L236 HydrophobicContact CE3-CD1 4.36Å; W196-L236 HydrophobicContact CG-CD1 4.41Å; W196-L236 HydrophobicContact CH2-CB 4.37Å; W196-L236 HydrophobicContact CZ2-CB 3.65Å; W196-L236 HydrophobicContact CZ2-CD1 4.25Å; W196-L236 HydrophobicContact CZ2-CG 4.47Å; I222-L236 WeakPolarHBondContact O-CA 3.37Å; S223-L236 WeakPolarHBondContact OG-CD2 3.34Å
237	S	96.3	Very high	95.4	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.014	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	126.3	179.1	175	0	0	0	0	110.2	L180 E181 I222	L180-S237 WeakPolarHBondContact O-CA 3.15Å; E181-S237 VanDerWaalsContact CD-CB 3.49Å; E181-S237 VanDerWaalsContact CD-OG 3.31Å; E181-S237 WeakPolarHBondContact OE1-CB 3.48Å; E181-S237 PolarHBondContact OE1-OG 3.35Å; I222-S237 PolarHBondContact N-O 3.47Å; I222-S237 PolarHBondContact O-N 3.16Å
238	L	96	Very high	95.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	113.2	170.3	169.1	58.5	0	0	0	108.1	I70 I72 T179 L180 W196 V203 Y219 L221 F240	I70-L238 HydrophobicContact CD1-CD2 4.23Å; I72-L238 HydrophobicContact CD1-CD2 4.45Å; T179-L238 CarbonylContact C-O 3.55Å; T179-L238 WeakPolarHBondContact CA-O 3.36Å; L180-L238 HydrophobicContact CB-CB 4.38Å; L180-L238 PolarHBondContact N-O 3.47Å; L180-L238 PolarHBondContact O-N 3.49Å; W196-L238 HydrophobicContact CH2-CB 4.25Å; W196-L238 HydrophobicContact CZ2-CB 4.43Å; V203-L238 HydrophobicContact CG1-CD1 4.36Å; V203-L238 HydrophobicContact CG1-CD2 4.2Å; V203-L238 HydrophobicContact CG2-CD1 4.23Å; V203-L238 HydrophobicContact CG2-CD2 4.29Å; Y219-L238 HydrophobicContact CD2-CD1 4.12Å; L221-L238 HydrophobicContact CD2-CB 4.49Å; L221-L238 HydrophobicContact CD2-CD1 3.56Å; L238-F240 HydrophobicContact CD1-CE1 4.16Å; L238-F240 HydrophobicContact CD1-CZ 4.07Å; L238-F240 HydrophobicContact CD2-CE1 4.26Å; L238-F240 HydrophobicContact CD2-CE2 3.93Å; L238-F240 HydrophobicContact CD2-CZ 3.45Å; L238-F240 VanDerWaalsContact CD2-CZ 3.45Å; L238-F240 HydrophobicContact CG-CE1 4.24Å; L238-F240 HydrophobicContact CG-CE2 3.84Å; L238-F240 HydrophobicContact CG-CZ 3.64Å
239	S	95.3	Very high	95.1	Very high	20 Å²	20	40.7 Å²	40.7	14%	0.14	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	125.8	-179.6	-175.1	0	0	0	0	110.6	Y219 K220	Y219-S239 CarbonylContact C-O 3.59Å; Y219-S239 WeakPolarHBondContact CA-O 3.28Å; Y219-S239 WeakPolarHBondContact CB-O 3.43Å; K220-S239 PolarHBondContact N-O 3.11Å; K220-S239 PolarHBondContact O-N 2.73Å
240	F	95.2	Very high	94.9	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.009	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	131.8	171.5	-57.6	-77.3	0	0	0	110.3	I72 Y85 N177 C178 L238 L242	I72-F240 HydrophobicContact CD1-CE1 3.6Å; I72-F240 HydrophobicContact CD1-CZ 3.42Å; I72-F240 VanDerWaalsContact CD1-CZ 3.42Å; Y85-F240 HydrophobicContact CE2-CE2 4.49Å; N177-F240 WeakPolarHBondContact CA-O 3.48Å; C178-F240 PolarHBondContact N-O 3.41Å; C178-F240 PolarHBondContact O-N 3.22Å; L238-F240 HydrophobicContact CD1-CE1 4.16Å; L238-F240 HydrophobicContact CD1-CZ 4.07Å; L238-F240 HydrophobicContact CD2-CE1 4.26Å; L238-F240 HydrophobicContact CD2-CE2 3.93Å; L238-F240 HydrophobicContact CD2-CZ 3.45Å; L238-F240 VanDerWaalsContact CD2-CZ 3.45Å; L238-F240 HydrophobicContact CG-CE1 4.24Å; L238-F240 HydrophobicContact CG-CE2 3.84Å; L238-F240 HydrophobicContact CG-CZ 3.64Å; F240-L242 HydrophobicContact CB-CD2 4.25Å; F240-L242 HydrophobicContact CB-CG 4.34Å
241	K	95.8	Very high	94.8	Very high	68 Å²	68	37.8 Å²	37.8	30%	0.296	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	101.1	168.8	-169.3	175.1	-172.6	-163.5	0	109.2	E175 V217 D218	E175-K241 WeakPolarHBondContact OE2-CE 3.37Å; E175-K241 IonicContact OE2-NZ 3.97Å; E175-K241 PolarHBondContact OE2-NZ 2.8Å; V217-K241 HydrophobicContact CB-CB 4.47Å; V217-K241 HydrophobicContact CB-CD 4.43Å; V217-K241 HydrophobicContact CB-CG 4.33Å; V217-K241 HydrophobicContact CG1-CD 4.43Å; V217-K241 PolarHBondContact N-O 2.66Å; D218-K241 HydrophobicContact CB-CB 4.23Å; D218-K241 WeakPolarHBondContact O-CB 3.41Å; D218-K241 PolarHBondContact O-N 2.92Å
242	L	95.4	Very high	94.5	Very high	3 Å²	3	40.3 Å²	40.3	2%	0.016	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	126.1	-179.2	-58.3	177.1	0	0	0	110	V78 E175 Q176 C178 L211 F214 I216 F240	V78-L242 HydrophobicContact CG2-CD1 4.36Å; E175-L242 CarbonylContact C-O 3.51Å; E175-L242 WeakPolarHBondContact CA-O 3.12Å; Q176-L242 HydrophobicContact CB-CB 4.46Å; Q176-L242 PolarHBondContact N-O 3.36Å; Q176-L242 PolarHBondContact O-N 3.12Å; C178-L242 HydrophobicContact CB-CD1 4.39Å; L211-L242 HydrophobicContact CD1-CD2 4.21Å; F214-L242 HydrophobicContact CD1-CB 4.09Å; I216-L242 HydrophobicContact CG1-CD2 3.87Å; F240-L242 HydrophobicContact CB-CD2 4.25Å; F240-L242 HydrophobicContact CB-CG 4.34Å
243	K	94.8	Very high	94.2	Very high	99 Å²	99	38.8 Å²	38.8	43%	0.43	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	129.2	173.8	178.2	170.8	-175	163.2	0	110.4	E175 F214 S215 V217	E175-K243 HydrophobicContact CG-CB 4.41Å; E175-K243 HydrophobicContact CG-CG 4.33Å; E175-K243 IonicContact OE1-NZ 2.67Å; F214-K243 CarbonylContact C-O 3.57Å; F214-K243 WeakPolarHBondContact CA-O 3.39Å; S215-K243 PolarHBondContact N-O 3.14Å; S215-K243 PolarHBondContact O-N 2.88Å; S215-K243 PolarHBondContact OG-O 3.36Å; S215-K243 VanDerWaalsContact OG-O 3.07Å; V217-K243 HydrophobicContact CG2-CB 3.37Å; V217-K243 HydrophobicContact CG2-CD 4.05Å; V217-K243 HydrophobicContact CG2-CG 4.37Å
244	R	94.6	Very high	94.1	Very high	8 Å²	8	38 Å²	38	3%	0.03	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	136.7	-177.9	-169	176.4	-60.6	-83	3.5	111.9	E80 P172 D174 F214 F249	E80-R244 IonicContact OE1-CZ 2.84Å; E80-R244 VanDerWaalsContact OE1-CZ 3.29Å; E80-R244 IonicContact OE1-NH1 3.99Å; E80-R244 PolarHBondContact OE1-NH1 2.8Å; E80-R244 IonicContact OE1-NH2 3.28Å; E80-R244 PolarHBondContact OE1-NH2 3.17Å; P172-R244 WeakPolarHBondContact O-CD 3.25Å; D174-R244 PolarHBondContact O-N 2.99Å; D174-R244 WeakPolarHBondContact OD1-CD 3.49Å; D174-R244 IonicContact OD1-CZ 3.68Å; D174-R244 IonicContact OD1-NE 3.44Å; D174-R244 PolarHBondContact OD1-NE 2.89Å; D174-R244 IonicContact OD2-NE 3.76Å; D174-R244 IonicContact OD2-NH2 3.04Å; F214-R244 HydrophobicContact CD1-CB 4.23Å; F214-R244 HydrophobicContact CE1-CB 4.18Å; F214-R244 HydrophobicContact CE1-CG 4.4Å; F214-R244 VanDerWaalsContact CZ-NH2 3.29Å; R244-F249 HydrophobicContact CG-CE2 4.08Å
245	N	92.6	Very high	93.9	Very high	66 Å²	66	42 Å²	42	35%	0.353	21%	0.212	S	C	.	.			trans	-81.4	120.7	172.7	-68.7	-22.6	0	0	0	109.8	Q213	Q213-N245 PolarHBondContact O-N 2.96Å
246	I	92.6	Very high	93.8	Very high	67 Å²	67	42.7 Å²	42.7	34%	0.344	22%	0.219	S	C	.	.			trans	-84.6	-17.4	-171.3	62.3	162.8	0	0	0	114.2	L173 Y248 F249 I250	L173-I246 HydrophobicContact CD2-CD1 4.45Å; L173-I246 HydrophobicContact CD2-CG2 3.6Å; L173-I246 HydrophobicContact CG-CG2 4.5Å; I246-Y248 VanDerWaalsContact C-N 3.3Å; I246-Y248 PolarHBondContact O-N 3.08Å; I246-F249 PolarHBondContact O-N 3.26Å; I246-I250 WeakPolarHBondContact O-CG1 3.34Å; I246-I250 PolarHBondContact O-N 2.88Å; I246-I250 VanDerWaalsContact O-N 3.07Å
247	G	90.8	Very high	93.7	Very high	45 Å²	45	42.7 Å²	42.7	46%	0.464	22%	0.219	S	C	.	.	H	α-helix	trans	-57.9	-38.5	-168.4	0	0	0	0	0	114.2	I250 L251	G247-I250 PolarHBondContact O-N 2.67Å; G247-L251 PolarHBondContact O-N 2.94Å
248	Y	91.6	Very high	93.7	Very high	120 Å²	120	44.3 Å²	44.3	47%	0.471	23%	0.228	S	C	.	.	H	α-helix	trans	-60.4	-47.8	174.4	172.1	-104	0	0	0	112.2	I246 I250 L251 Q252	I246-Y248 VanDerWaalsContact C-N 3.3Å; I246-Y248 PolarHBondContact O-N 3.08Å; Y248-I250 VanDerWaalsContact C-N 3.32Å; Y248-I250 PolarHBondContact O-N 2.88Å; Y248-L251 PolarHBondContact O-N 3.45Å; Y248-Q252 WeakPolarHBondContact O-CB 3.47Å; Y248-Q252 PolarHBondContact O-N 3.49Å; Y248-Q252 VanDerWaalsContact OH-CD 3.26Å; Y248-Q252 PolarHBondContact OH-NE2 3.26Å; Y248-Q252 PolarHBondContact OH-OE1 2.76Å
249	F	92.3	Very high	93.6	Very high	10 Å²	10	49.1 Å²	49.1	4%	0.044	25%	0.253	C	S	.	.	H	α-helix	trans	-66.9	-33.6	-179.4	-61.5	-74.2	0	0	0	112.5	Y171 P172 R244 I246 T253 Y254	Y171-F249 HydrophobicContact CE1-CE1 4.34Å; Y171-F249 HydrophobicContact CE2-CZ 4.44Å; Y171-F249 AromaticContact CZ-CE1 3.84Å; Y171-F249 AromaticContact CZ-CZ 3.92Å; Y171-F249 WeakPolarHBondContact OH-CE1 3.38Å; Y171-F249 WeakPolarHBondContact OH-CZ 3.46Å; P172-F249 HydrophobicContact CB-CB 4.45Å; P172-F249 HydrophobicContact CB-CD1 4.19Å; P172-F249 HydrophobicContact CB-CD2 3.58Å; P172-F249 HydrophobicContact CB-CE1 4.4Å; P172-F249 HydrophobicContact CB-CE2 3.8Å; P172-F249 HydrophobicContact CB-CG 3.79Å; P172-F249 HydrophobicContact CB-CZ 4.2Å; P172-F249 HydrophobicContact CG-CB 3.91Å; P172-F249 HydrophobicContact CG-CD1 4.29Å; P172-F249 HydrophobicContact CG-CD2 3.97Å; P172-F249 HydrophobicContact CG-CG 3.76Å; R244-F249 HydrophobicContact CG-CE2 4.08Å; I246-F249 PolarHBondContact O-N 3.26Å; F249-T253 WeakPolarHBondContact O-CA 3.4Å; F249-T253 WeakPolarHBondContact O-CB 3.4Å; F249-T253 PolarHBondContact O-N 2.85Å; F249-Y254 HydrophobicContact CB-CD2 4.4Å; F249-Y254 HydrophobicContact CB-CE2 4.25Å; F249-Y254 WeakPolarHBondContact O-CD2 3.31Å; F249-Y254 PolarHBondContact O-N 3.02Å; F249-Y254 VanDerWaalsContact O-N 3.12Å
250	I	93.1	Very high	93.6	Very high	40 Å²	40	49 Å²	49	21%	0.205	25%	0.25	C	S	.	.	I	π-helix	trans	-58.3	-51.9	174.6	-62.9	-63.3	0	0	0	110.5	I246 G247 Y248 Y254 M255 W523	I246-I250 WeakPolarHBondContact O-CG1 3.34Å; I246-I250 PolarHBondContact O-N 2.88Å; I246-I250 VanDerWaalsContact O-N 3.07Å; G247-I250 PolarHBondContact O-N 2.67Å; Y248-I250 VanDerWaalsContact C-N 3.32Å; Y248-I250 PolarHBondContact O-N 2.88Å; I250-Y254 HydrophobicContact CD1-CD2 3.91Å; I250-Y254 HydrophobicContact CD1-CE2 4.5Å; I250-Y254 HydrophobicContact CD1-CG 4.29Å; I250-Y254 PolarHBondContact O-N 3.4Å; I250-M255 HydrophobicContact CG2-CE 4.26Å; I250-M255 HydrophobicContact CG2-CG 4.1Å; I250-M255 WeakPolarHBondContact O-CB 3.48Å; I250-M255 WeakPolarHBondContact O-CG 3.35Å; I250-M255 PolarHBondContact O-N 2.91Å; I250-W523 HydrophobicContact CD1-CH2 3.29Å; I250-W523 HydrophobicContact CD1-CZ2 3.82Å; I250-W523 HydrophobicContact CD1-CZ3 4.19Å
251	L	91.4	Very high	93.5	Very high	131 Å²	131	49 Å²	49	69%	0.686	25%	0.25	S	S	*	.	I	π-helix	trans	-73.5	-37.7	-175.7	-66.9	174.5	0	0	0	112.8	G247 Y248 P256	G247-L251 PolarHBondContact O-N 2.94Å; Y248-L251 PolarHBondContact O-N 3.45Å; L251-P256 VanDerWaalsContact O-CD 3.28Å; L251-P256 WeakPolarHBondContact O-CD 3.48Å
252	Q	89.4	Confident	93.4	Very high	77 Å²	77	48.6 Å²	48.6	36%	0.36	25%	0.251	S	S	.	.	I	π-helix	trans	-86.4	-30.4	-174.9	-176.2	158.4	-24.7	0	0	114	Y248	Y248-Q252 WeakPolarHBondContact O-CB 3.47Å; Y248-Q252 PolarHBondContact O-N 3.49Å; Y248-Q252 VanDerWaalsContact OH-CD 3.26Å; Y248-Q252 PolarHBondContact OH-NE2 3.26Å; Y248-Q252 PolarHBondContact OH-OE1 2.76Å
253	T	92.6	Very high	93.3	Very high	3 Å²	3	53.1 Å²	53.1	2%	0.018	27%	0.274	C	S	.	.	I	π-helix	trans	-119.6	-56.5	-173	-55	0	0	0	0	112.8	F249 S257 L296 I309 L313	F249-T253 WeakPolarHBondContact O-CA 3.4Å; F249-T253 WeakPolarHBondContact O-CB 3.4Å; F249-T253 PolarHBondContact O-N 2.85Å; T253-S257 VanDerWaalsContact O-CB 3.31Å; T253-S257 WeakPolarHBondContact O-CB 3.43Å; T253-S257 PolarHBondContact O-N 2.97Å; T253-S257 VanDerWaalsContact O-N 3.17Å; T253-S257 PolarHBondContact O-OG 3.21Å; T253-L296 HydrophobicContact CG2-CD1 3.45Å; T253-L296 VanDerWaalsContact CG2-CD1 3.45Å; T253-L296 HydrophobicContact CG2-CD2 4.41Å; T253-I309 HydrophobicContact CG2-CD1 3.98Å; T253-I309 HydrophobicContact CG2-CG1 4.34Å; T253-L313 HydrophobicContact CG2-CD2 4.01Å
254	Y	94.2	Very high	93.2	Very high	4 Å²	4	48.7 Å²	48.7	2%	0.016	26%	0.256	C	S	.	.	I	π-helix	trans	-67.7	-47.8	-172.7	-70	-85.1	0	0	0	111.8	P172 F249 I250 S257 I258 Y312 Y522 W523	P172-Y254 HydrophobicContact CG-CE2 4.26Å; F249-Y254 HydrophobicContact CB-CD2 4.4Å; F249-Y254 HydrophobicContact CB-CE2 4.25Å; F249-Y254 WeakPolarHBondContact O-CD2 3.31Å; F249-Y254 PolarHBondContact O-N 3.02Å; F249-Y254 VanDerWaalsContact O-N 3.12Å; I250-Y254 HydrophobicContact CD1-CD2 3.91Å; I250-Y254 HydrophobicContact CD1-CE2 4.5Å; I250-Y254 HydrophobicContact CD1-CG 4.29Å; I250-Y254 PolarHBondContact O-N 3.4Å; Y254-S257 PolarHBondContact O-N 3.07Å; Y254-I258 VanDerWaalsContact O-CG1 3.25Å; Y254-I258 WeakPolarHBondContact O-CG1 3.39Å; Y254-I258 PolarHBondContact O-N 3.31Å; Y254-Y312 AromaticContact CD1-CD1 3.56Å; Y254-Y312 HydrophobicContact CD1-CD1 3.56Å; Y254-Y312 HydrophobicContact CD1-CD2 4.21Å; Y254-Y312 AromaticContact CD1-CE1 3.4Å; Y254-Y312 HydrophobicContact CD1-CE1 3.4Å; Y254-Y312 VanDerWaalsContact CD1-CE1 3.4Å; Y254-Y312 HydrophobicContact CD1-CE2 4.07Å; Y254-Y312 AromaticContact CD1-CG 3.97Å; Y254-Y312 HydrophobicContact CD1-CG 3.97Å; Y254-Y312 AromaticContact CD1-CZ 3.67Å; Y254-Y312 AromaticContact CE1-CD1 3.63Å; Y254-Y312 HydrophobicContact CE1-CD1 3.63Å; Y254-Y312 AromaticContact CE1-CD2 3.96Å; Y254-Y312 HydrophobicContact CE1-CD2 3.96Å; Y254-Y312 AromaticContact CE1-CE1 3.97Å; Y254-Y312 HydrophobicContact CE1-CE1 3.97Å; Y254-Y312 HydrophobicContact CE1-CE2 4.26Å; Y254-Y312 AromaticContact CE1-CG 3.63Å; Y254-Y312 HydrophobicContact CE1-CG 3.63Å; Y254-Y312 HydrophobicContact CG-CE1 4.37Å; Y254-Y522 AromaticContact CE1-CE1 3.7Å; Y254-Y522 HydrophobicContact CE1-CE1 3.7Å; Y254-Y522 PolarHBondContact OH-OH 3.47Å; Y254-W523 HydrophobicContact CD1-CH2 4.22Å; Y254-W523 AromaticContact CD1-CZ2 3.75Å; Y254-W523 HydrophobicContact CD1-CZ2 3.75Å; Y254-W523 HydrophobicContact CD2-CH2 4.33Å; Y254-W523 HydrophobicContact CE1-CH2 4.12Å; Y254-W523 AromaticContact CE1-CZ2 3.94Å; Y254-W523 HydrophobicContact CE1-CZ2 3.94Å; Y254-W523 HydrophobicContact CE2-CH2 4.21Å; Y254-W523 HydrophobicContact CG-CH2 4.34Å; Y254-W523 HydrophobicContact CG-CZ2 4.08Å
255	M	94.5	Very high	93.1	Very high	90 Å²	90	50.8 Å²	50.8	44%	0.443	26%	0.264	S	S	.	.	H	α-helix	trans	-61.1	-51.1	-179.1	-78	-67.3	177.9	0	0	112.6	I250 S257 I258 L259	I250-M255 HydrophobicContact CG2-CE 4.26Å; I250-M255 HydrophobicContact CG2-CG 4.1Å; I250-M255 WeakPolarHBondContact O-CB 3.48Å; I250-M255 WeakPolarHBondContact O-CG 3.35Å; I250-M255 PolarHBondContact O-N 2.91Å; M255-S257 VanDerWaalsContact C-N 3.32Å; M255-S257 PolarHBondContact O-N 3.02Å; M255-I258 PolarHBondContact O-N 3.11Å; M255-L259 VanDerWaalsContact O-CG 3.29Å; M255-L259 WeakPolarHBondContact O-CG 3.39Å; M255-L259 PolarHBondContact O-N 2.88Å
256	P	95.1	Very high	93	Very high	41 Å²	41	50.6 Å²	50.6	27%	0.266	27%	0.265	S	S	.	.	H	α-helix	trans	-59.1	-40.8	175.4	-27.4	37	0	0	0	113	L251 I258 L259 I260 I292	L251-P256 VanDerWaalsContact O-CD 3.28Å; L251-P256 WeakPolarHBondContact O-CD 3.48Å; P256-I258 PolarHBondContact O-N 3.5Å; P256-L259 PolarHBondContact O-N 3.16Å; P256-I260 WeakPolarHBondContact O-CB 3.3Å; P256-I260 WeakPolarHBondContact O-CD1 3.44Å; P256-I260 VanDerWaalsContact O-CG1 3.23Å; P256-I260 WeakPolarHBondContact O-CG1 3.49Å; P256-I260 PolarHBondContact O-N 2.98Å; P256-I292 HydrophobicContact CB-CD1 4.29Å
257	S	95.1	Very high	92.8	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-65.3	-39.3	179.3	-56.6	0	0	0	0	112.4	T253 Y254 M255 T261 L313	T253-S257 VanDerWaalsContact O-CB 3.31Å; T253-S257 WeakPolarHBondContact O-CB 3.43Å; T253-S257 PolarHBondContact O-N 2.97Å; T253-S257 VanDerWaalsContact O-N 3.17Å; T253-S257 PolarHBondContact O-OG 3.21Å; Y254-S257 PolarHBondContact O-N 3.07Å; M255-S257 VanDerWaalsContact C-N 3.32Å; M255-S257 PolarHBondContact O-N 3.02Å; S257-T261 WeakPolarHBondContact O-CB 3.17Å; S257-T261 PolarHBondContact O-N 3.33Å; S257-T261 PolarHBondContact O-OG1 3.09Å; S257-L313 WeakPolarHBondContact OG-CD2 3.31Å
258	I	94.8	Very high	92.7	Very high	37 Å²	37	45.6 Å²	45.6	19%	0.19	23%	0.229	C	C	.	.	H	α-helix	trans	-63.1	-50.6	173.3	-69.5	165.3	0	0	0	109.6	Y254 M255 P256 I260 T261 I262 Y312 F515	Y254-I258 VanDerWaalsContact O-CG1 3.25Å; Y254-I258 WeakPolarHBondContact O-CG1 3.39Å; Y254-I258 PolarHBondContact O-N 3.31Å; M255-I258 PolarHBondContact O-N 3.11Å; P256-I258 PolarHBondContact O-N 3.5Å; I258-I260 VanDerWaalsContact C-N 3.32Å; I258-I260 PolarHBondContact O-N 3.35Å; I258-T261 WeakPolarHBondContact O-CB 3.11Å; I258-T261 PolarHBondContact O-N 2.78Å; I258-T261 VanDerWaalsContact O-N 3.11Å; I258-I262 HydrophobicContact CG2-CD1 3.7Å; I258-I262 HydrophobicContact CG2-CG1 4.28Å; I258-I262 VanDerWaalsContact O-CG1 3.26Å; I258-I262 WeakPolarHBondContact O-CG1 3.5Å; I258-I262 PolarHBondContact O-N 3.39Å; I258-Y312 WeakPolarHBondContact CD1-OH 3.35Å; I258-Y312 WeakPolarHBondContact CG1-OH 3.29Å; I258-F515 HydrophobicContact CG1-CE1 4.47Å; I258-F515 HydrophobicContact CG1-CZ 4.21Å; I258-F515 HydrophobicContact CG2-CE1 4.28Å
259	L	94.6	Very high	92.6	Very high	101 Å²	101	48.1 Å²	48.1	53%	0.529	24%	0.238	S	C	.	.	H	α-helix	trans	-60.4	-40.2	-179.2	-68.1	173.9	0	0	0	112.2	M255 P256 I262 L263	M255-L259 VanDerWaalsContact O-CG 3.29Å; M255-L259 WeakPolarHBondContact O-CG 3.39Å; M255-L259 PolarHBondContact O-N 2.88Å; P256-L259 PolarHBondContact O-N 3.16Å; L259-I262 CarbonylContact O-C 3.58Å; L259-I262 WeakPolarHBondContact O-CB 3.46Å; L259-I262 PolarHBondContact O-N 2.98Å; L259-L263 VanDerWaalsContact O-CG 3.28Å; L259-L263 WeakPolarHBondContact O-CG 3.44Å; L259-L263 PolarHBondContact O-N 3.31Å
260	I	94.8	Very high	92.4	Very high	17 Å²	17	49.8 Å²	49.8	9%	0.087	25%	0.246	C	C	.	.	H	α-helix	trans	-65.1	-40.7	175.3	-69.7	160.8	0	0	0	111.2	P256 I258 I262 L263 S264 T285 T288 I292	P256-I260 WeakPolarHBondContact O-CB 3.3Å; P256-I260 WeakPolarHBondContact O-CD1 3.44Å; P256-I260 VanDerWaalsContact O-CG1 3.23Å; P256-I260 WeakPolarHBondContact O-CG1 3.49Å; P256-I260 PolarHBondContact O-N 2.98Å; I258-I260 VanDerWaalsContact C-N 3.32Å; I258-I260 PolarHBondContact O-N 3.35Å; I260-I262 VanDerWaalsContact C-N 3.32Å; I260-I262 PolarHBondContact O-N 3.07Å; I260-L263 WeakPolarHBondContact O-CB 3.5Å; I260-L263 PolarHBondContact O-N 3.18Å; I260-L263 VanDerWaalsContact O-N 3.15Å; I260-S264 PolarHBondContact O-N 3.46Å; I260-T285 HydrophobicContact CG2-CG2 4.37Å; I260-T288 HydrophobicContact CD1-CG2 3.44Å; I260-T288 VanDerWaalsContact CD1-CG2 3.44Å; I260-T288 HydrophobicContact CG1-CG2 4.16Å; I260-I292 HydrophobicContact CD1-CD1 3.3Å
261	T	94.7	Very high	91.9	Very high	2 Å²	2	53.4 Å²	53.4	1%	0.012	27%	0.266	C	S	.	.	H	α-helix	trans	-63.9	-41.2	176	-53.3	0	0	0	0	110.8	S257 I258 L263 S264 F319 F515	S257-T261 WeakPolarHBondContact O-CB 3.17Å; S257-T261 PolarHBondContact O-N 3.33Å; S257-T261 PolarHBondContact O-OG1 3.09Å; I258-T261 WeakPolarHBondContact O-CB 3.11Å; I258-T261 PolarHBondContact O-N 2.78Å; I258-T261 VanDerWaalsContact O-N 3.11Å; T261-L263 VanDerWaalsContact C-N 3.35Å; T261-S264 WeakPolarHBondContact O-CB 2.95Å; T261-S264 PolarHBondContact O-N 3.08Å; T261-S264 PolarHBondContact O-OG 3.29Å; T261-F319 HydrophobicContact CG2-CB 3.96Å; T261-F515 HydrophobicContact CG2-CD2 3.92Å; T261-F515 HydrophobicContact CG2-CE1 4.39Å; T261-F515 HydrophobicContact CG2-CE2 3.77Å; T261-F515 HydrophobicContact CG2-CG 4.29Å; T261-F515 HydrophobicContact CG2-CZ 4.02Å
262	I	93.3	Very high	91.4	Very high	60 Å²	60	49.3 Å²	49.3	31%	0.308	24%	0.242	S	C	.	.	H	α-helix	trans	-63.4	-39.4	172	-64.6	174.4	0	0	0	110.6	I258 L259 I260 S264 W265	I258-I262 HydrophobicContact CG2-CD1 3.7Å; I258-I262 HydrophobicContact CG2-CG1 4.28Å; I258-I262 VanDerWaalsContact O-CG1 3.26Å; I258-I262 WeakPolarHBondContact O-CG1 3.5Å; I258-I262 PolarHBondContact O-N 3.39Å; L259-I262 CarbonylContact O-C 3.58Å; L259-I262 WeakPolarHBondContact O-CB 3.46Å; L259-I262 PolarHBondContact O-N 2.98Å; I260-I262 VanDerWaalsContact C-N 3.32Å; I260-I262 PolarHBondContact O-N 3.07Å; I262-S264 PolarHBondContact O-N 2.89Å; I262-W265 HydrophobicContact CB-CZ2 3.91Å; I262-W265 HydrophobicContact CD1-CZ2 4.36Å; I262-W265 HydrophobicContact CG1-CH2 3.9Å; I262-W265 HydrophobicContact CG1-CZ2 3.51Å; I262-W265 HydrophobicContact CG2-CZ2 3.76Å; I262-W265 VanDerWaalsContact CG2-NE1 3.32Å; I262-W265 PolarHBondContact O-N 3.48Å; I262-W265 PolarHBondContact O-NE1 2.85Å
263	L	92.4	Very high	91	Very high	97 Å²	97	51 Å²	51	51%	0.508	25%	0.253	S	S	.	.	H	α-helix	trans	-64.2	-32.2	177	-75	168.4	0	0	0	112.1	L259 I260 T261 W265 V266 T285	L259-L263 VanDerWaalsContact O-CG 3.28Å; L259-L263 WeakPolarHBondContact O-CG 3.44Å; L259-L263 PolarHBondContact O-N 3.31Å; I260-L263 WeakPolarHBondContact O-CB 3.5Å; I260-L263 PolarHBondContact O-N 3.18Å; I260-L263 VanDerWaalsContact O-N 3.15Å; T261-L263 VanDerWaalsContact C-N 3.35Å; L263-W265 VanDerWaalsContact C-N 3.33Å; L263-W265 PolarHBondContact O-N 3.37Å; L263-V266 WeakPolarHBondContact O-CB 3.44Å; L263-V266 PolarHBondContact O-N 3.12Å; L263-T285 HydrophobicContact CB-CG2 4.34Å
264	S	93.3	Very high	90.7	Very high	6 Å²	6	52.7 Å²	52.7	4%	0.042	27%	0.268	C	S	.	.	H	α-helix	trans	-62.8	-36.3	179.5	78.2	0	0	0	0	113.2	I260 T261 I262 V266 S267	I260-S264 PolarHBondContact O-N 3.46Å; T261-S264 WeakPolarHBondContact O-CB 2.95Å; T261-S264 PolarHBondContact O-N 3.08Å; T261-S264 PolarHBondContact O-OG 3.29Å; I262-S264 PolarHBondContact O-N 2.89Å; S264-V266 VanDerWaalsContact C-N 3.29Å; S264-V266 PolarHBondContact O-N 3.44Å; S264-S267 WeakPolarHBondContact O-CB 3.18Å; S264-S267 PolarHBondContact O-N 3.24Å; S264-S267 PolarHBondContact O-OG 2.99Å
265	W	91.1	Very high	90.2	Very high	53 Å²	53	54.8 Å²	54.8	20%	0.201	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-81.3	-4.6	-179.5	66	31.6	0	0	0	114.1	I262 L263 S267 F268 F511 P512 F515	I262-W265 HydrophobicContact CB-CZ2 3.91Å; I262-W265 HydrophobicContact CD1-CZ2 4.36Å; I262-W265 HydrophobicContact CG1-CH2 3.9Å; I262-W265 HydrophobicContact CG1-CZ2 3.51Å; I262-W265 HydrophobicContact CG2-CZ2 3.76Å; I262-W265 VanDerWaalsContact CG2-NE1 3.32Å; I262-W265 PolarHBondContact O-N 3.48Å; I262-W265 PolarHBondContact O-NE1 2.85Å; L263-W265 VanDerWaalsContact C-N 3.33Å; L263-W265 PolarHBondContact O-N 3.37Å; W265-S267 PolarHBondContact O-N 2.92Å; W265-F268 HydrophobicContact CB-CD2 3.6Å; W265-F268 HydrophobicContact CB-CE2 3.42Å; W265-F268 VanDerWaalsContact CB-CE2 3.42Å; W265-F268 HydrophobicContact CB-CZ 4.31Å; W265-F268 WeakPolarHBondContact O-CB 3.37Å; W265-F268 WeakPolarHBondContact O-CD2 3.47Å; W265-F268 WeakPolarHBondContact O-CG 3.39Å; W265-F268 PolarHBondContact O-N 3.12Å; W265-F511 HydrophobicContact CE3-CB 4.32Å; W265-P512 HydrophobicContact CD2-CG 4.17Å; W265-P512 HydrophobicContact CE3-CB 4.22Å; W265-P512 HydrophobicContact CE3-CG 3.65Å; W265-P512 HydrophobicContact CH2-CB 3.78Å; W265-P512 HydrophobicContact CH2-CG 3.94Å; W265-P512 HydrophobicContact CZ2-CG 4.41Å; W265-P512 HydrophobicContact CZ3-CB 3.62Å; W265-P512 HydrophobicContact CZ3-CG 3.57Å; W265-F515 HydrophobicContact CZ3-CD1 4.49Å
266	V	91	Very high	89.9	Confident	62 Å²	62	54.1 Å²	54.1	38%	0.376	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-63.8	-27.6	172.2	177.4	0	0	0	0	110	L263 S264 F268 W269	L263-V266 WeakPolarHBondContact O-CB 3.44Å; L263-V266 PolarHBondContact O-N 3.12Å; S264-V266 VanDerWaalsContact C-N 3.29Å; S264-V266 PolarHBondContact O-N 3.44Å; V266-F268 PolarHBondContact O-N 2.91Å; V266-W269 WeakPolarHBondContact O-CB 3.23Å; V266-W269 PolarHBondContact O-N 3.32Å
267	S	89.3	Confident	89.6	Confident	6 Å²	6	54.3 Å²	54.3	4%	0.042	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-55.1	-30.7	173.8	63.6	0	0	0	0	113.5	S264 W265 W269 I270 R278	S264-S267 WeakPolarHBondContact O-CB 3.18Å; S264-S267 PolarHBondContact O-N 3.24Å; S264-S267 PolarHBondContact O-OG 2.99Å; W265-S267 PolarHBondContact O-N 2.92Å; S267-W269 PolarHBondContact O-N 3.32Å; S267-I270 PolarHBondContact O-N 3.42Å; S267-R278 PolarHBondContact O-NE 3.44Å
268	F	88.8	Confident	89.4	Confident	1 Å²	1	54.4 Å²	54.4	0%	0.004	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-71.6	-17.2	178.4	-50.2	-32.4	0	0	0	113.5	W265 V266 A323 E326 R508 F511	W265-F268 HydrophobicContact CB-CD2 3.6Å; W265-F268 HydrophobicContact CB-CE2 3.42Å; W265-F268 VanDerWaalsContact CB-CE2 3.42Å; W265-F268 HydrophobicContact CB-CZ 4.31Å; W265-F268 WeakPolarHBondContact O-CB 3.37Å; W265-F268 WeakPolarHBondContact O-CD2 3.47Å; W265-F268 WeakPolarHBondContact O-CG 3.39Å; W265-F268 PolarHBondContact O-N 3.12Å; V266-F268 PolarHBondContact O-N 2.91Å; F268-A323 HydrophobicContact CE1-CB 4.27Å; F268-A323 HydrophobicContact CZ-CB 3.94Å; F268-E326 HydrophobicContact CD1-CG 4.5Å; F268-E326 HydrophobicContact CE1-CB 4.18Å; F268-E326 HydrophobicContact CE1-CG 3.92Å; F268-E326 WeakPolarHBondContact CE1-OE2 3.23Å; F268-R508 HydrophobicContact CB-CG 3.88Å; F268-R508 VanDerWaalsContact O-CZ 3.27Å; F268-R508 PolarHBondContact O-NE 3.24Å; F268-R508 PolarHBondContact O-NH2 3.5Å; F268-F511 HydrophobicContact CE2-CB 3.93Å; F268-F511 HydrophobicContact CE2-CD1 4.22Å; F268-F511 AromaticContact CE2-CD2 3.67Å; F268-F511 HydrophobicContact CE2-CD2 3.67Å; F268-F511 HydrophobicContact CE2-CE2 4.17Å; F268-F511 AromaticContact CE2-CG 3.69Å; F268-F511 HydrophobicContact CE2-CG 3.69Å; F268-F511 HydrophobicContact CZ-CD1 4.09Å; F268-F511 AromaticContact CZ-CD2 3.72Å; F268-F511 HydrophobicContact CZ-CD2 3.72Å; F268-F511 HydrophobicContact CZ-CE1 4.1Å; F268-F511 AromaticContact CZ-CE2 3.73Å; F268-F511 HydrophobicContact CZ-CE2 3.73Å; F268-F511 AromaticContact CZ-CG 3.9Å; F268-F511 HydrophobicContact CZ-CG 3.9Å; F268-F511 AromaticContact CZ-CZ 3.92Å; F268-F511 HydrophobicContact CZ-CZ 3.92Å
269	W	88.6	Confident	89.2	Confident	172 Å²	172	54.9 Å²	54.9	65%	0.652	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-22.4	178.5	-71.6	87.5	0	0	0	113	V266 S267	V266-W269 WeakPolarHBondContact O-CB 3.23Å; V266-W269 PolarHBondContact O-N 3.32Å; S267-W269 PolarHBondContact O-N 3.32Å
270	I	88.3	Confident	89.1	Confident	45 Å²	45	52.5 Å²	52.5	23%	0.231	30%	0.297	C	S	.	.	S	Bend	trans	-74.9	139.8	177.2	-65.3	173.3	0	0	0	108.1	S267 A274 R278 L281	S267-I270 PolarHBondContact O-N 3.42Å; I270-A274 HydrophobicContact CG2-CB 3.85Å; I270-R278 HydrophobicContact CB-CG 4.28Å; I270-R278 HydrophobicContact CG2-CG 4.06Å; I270-R278 PolarHBondContact O-NE 3.41Å; I270-R278 PolarHBondContact O-NH2 3.44Å; I270-L281 HydrophobicContact CD1-CD1 3.43Å; I270-L281 VanDerWaalsContact CD1-CD1 3.43Å
271	N	83.8	Confident	89	Confident	117 Å²	117	54.8 Å²	54.8	63%	0.626	31%	0.309	S	S	*	.			trans	-61.4	147.5	177.6	-67.2	-29.7	0	0	0	112	D273 A274 R278	N271-D273 PolarHBondContact O-N 2.94Å; N271-A274 PolarHBondContact O-N 2.96Å; N271-A274 VanDerWaalsContact O-N 3.15Å; N271-R278 PolarHBondContact O-NE 2.96Å
272	Y	80.9	Confident	88.8	Confident	45 Å²	45	55.2 Å²	55.2	18%	0.176	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-22.9	-178	65.9	-94.6	0	0	0	112.7	A274 R278 F334 V500	Y272-A274 PolarHBondContact O-N 3.11Å; Y272-R278 VanDerWaalsContact N-NH2 3.17Å; Y272-F334 HydrophobicContact CD2-CD2 4.27Å; Y272-F334 HydrophobicContact CD2-CE2 4.23Å; Y272-F334 HydrophobicContact CD2-CZ 4.48Å; Y272-F334 AromaticContact CE2-CD2 3.94Å; Y272-F334 HydrophobicContact CE2-CD2 3.94Å; Y272-F334 HydrophobicContact CE2-CE1 4.49Å; Y272-F334 AromaticContact CE2-CE2 3.51Å; Y272-F334 HydrophobicContact CE2-CE2 3.51Å; Y272-F334 AromaticContact CE2-CZ 3.83Å; Y272-F334 HydrophobicContact CE2-CZ 3.83Å; Y272-V500 HydrophobicContact CD1-CG1 3.99Å; Y272-V500 HydrophobicContact CG-CG1 4.1Å
273	D	78.9	Confident	88.8	Confident	111 Å²	111	56.9 Å²	56.9	59%	0.594	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-28.1	175.1	-62.8	-40.6	0	0	0	112.3	N271 S275	N271-D273 PolarHBondContact O-N 2.94Å; D273-S275 PolarHBondContact O-N 2.97Å
274	A	86.6	Confident	89	Confident	40 Å²	40	56 Å²	56	33%	0.331	32%	0.321	S	S	.	.			trans	-86.3	58.9	178.2	0	0	0	0	0	111.8	I270 N271 Y272 A276 A277 R278	I270-A274 HydrophobicContact CG2-CB 3.85Å; N271-A274 PolarHBondContact O-N 2.96Å; N271-A274 VanDerWaalsContact O-N 3.15Å; Y272-A274 PolarHBondContact O-N 3.11Å; A274-A276 PolarHBondContact O-N 3.49Å; A274-A277 HydrophobicContact CB-CB 4.39Å; A274-A277 PolarHBondContact O-N 3.18Å; A274-R278 PolarHBondContact O-N 2.66Å
275	S	83.5	Confident	89	Confident	47 Å²	47	56.2 Å²	56.2	33%	0.329	32%	0.322	S	S	.	.	H	α-helix	trans	-56.1	-43.6	-176.2	58.7	0	0	0	0	113.5	D273 A277 R278 V279 Y327	D273-S275 PolarHBondContact O-N 2.97Å; S275-A277 VanDerWaalsContact C-N 3.34Å; S275-A277 PolarHBondContact O-N 3.36Å; S275-R278 PolarHBondContact O-N 2.84Å; S275-V279 WeakPolarHBondContact O-CG2 3.38Å; S275-V279 PolarHBondContact O-N 3.45Å; S275-V279 VanDerWaalsContact O-N 3.07Å; S275-Y327 WeakPolarHBondContact CB-OH 3.5Å
276	A	88.2	Confident	89.2	Confident	77 Å²	77	55 Å²	55	64%	0.636	32%	0.32	S	S	*	.	H	α-helix	trans	-60.3	-40.3	180	0	0	0	0	0	112.9	A274 A280	A274-A276 PolarHBondContact O-N 3.49Å; A276-A280 VanDerWaalsContact O-CB 3.29Å; A276-A280 WeakPolarHBondContact O-CB 3.34Å; A276-A280 PolarHBondContact O-N 3.11Å
277	A	89.9	Confident	89.4	Confident	44 Å²	44	57.2 Å²	57.2	36%	0.364	33%	0.329	S	S	.	.	H	α-helix	trans	-69.2	-42.6	179.7	0	0	0	0	0	111.9	A274 S275 A280 L281	A274-A277 HydrophobicContact CB-CB 4.39Å; A274-A277 PolarHBondContact O-N 3.18Å; S275-A277 VanDerWaalsContact C-N 3.34Å; S275-A277 PolarHBondContact O-N 3.36Å; A277-A280 PolarHBondContact O-N 3.44Å; A277-L281 WeakPolarHBondContact O-CG 3.19Å; A277-L281 PolarHBondContact O-N 2.99Å; A277-L281 VanDerWaalsContact O-N 3.09Å
278	R	90.4	Very high	89.7	Confident	3 Å²	3	59.5 Å²	59.5	1%	0.011	34%	0.343	C	S	.	.	H	α-helix	trans	-63.7	-44.7	177.9	-68.7	-170.5	178.1	-158.3	7.5	111.7	S267 I270 N271 Y272 A274 S275 L281 G282 Y327 D504	S267-R278 PolarHBondContact O-NE 3.44Å; I270-R278 HydrophobicContact CB-CG 4.28Å; I270-R278 HydrophobicContact CG2-CG 4.06Å; I270-R278 PolarHBondContact O-NE 3.41Å; I270-R278 PolarHBondContact O-NH2 3.44Å; N271-R278 PolarHBondContact O-NE 2.96Å; Y272-R278 VanDerWaalsContact N-NH2 3.17Å; A274-R278 PolarHBondContact O-N 2.66Å; S275-R278 PolarHBondContact O-N 2.84Å; R278-L281 PolarHBondContact O-N 3.04Å; R278-G282 PolarHBondContact O-N 3.24Å; R278-Y327 HydrophobicContact CB-CD2 3.63Å; R278-Y327 HydrophobicContact CB-CE2 3.83Å; R278-Y327 HydrophobicContact CB-CG 4.27Å; R278-Y327 HydrophobicContact CG-CD2 4.3Å; R278-D504 IonicContact CZ-OD1 3.52Å; R278-D504 IonicContact CZ-OD2 3.72Å; R278-D504 IonicContact NH1-OD1 2.94Å; R278-D504 PolarHBondContact NH1-OD1 3.5Å; R278-D504 VanDerWaalsContact NH1-OD1 3.08Å; R278-D504 IonicContact NH1-OD2 3.08Å; R278-D504 IonicContact NH2-OD1 3.3Å; R278-D504 PolarHBondContact NH2-OD1 3.3Å; R278-D504 IonicContact NH2-OD2 3.48Å; R278-D504 PolarHBondContact NH2-OD2 2.7Å
279	V	90.5	Very high	89.9	Confident	46 Å²	46	59.5 Å²	59.5	28%	0.279	34%	0.343	S	S	.	.	H	α-helix	trans	-62.6	-47.8	177.2	174.7	0	0	0	0	111.4	S275 L281 G282 I283 Y327	S275-V279 WeakPolarHBondContact O-CG2 3.38Å; S275-V279 PolarHBondContact O-N 3.45Å; S275-V279 VanDerWaalsContact O-N 3.07Å; V279-L281 VanDerWaalsContact C-N 3.33Å; V279-L281 PolarHBondContact O-N 3.35Å; V279-G282 PolarHBondContact O-N 3.48Å; V279-I283 HydrophobicContact CG1-CD1 3.5Å; V279-I283 HydrophobicContact CG1-CG1 4.15Å; V279-I283 WeakPolarHBondContact O-CG1 3.46Å; V279-I283 PolarHBondContact O-N 2.96Å; V279-Y327 HydrophobicContact CB-CE1 4.45Å; V279-Y327 HydrophobicContact CG2-CD1 3.96Å; V279-Y327 HydrophobicContact CG2-CE1 3.12Å; V279-Y327 HydrophobicContact CG2-CE2 4.41Å; V279-Y327 WeakPolarHBondContact CG2-OH 3.28Å
280	A	92.5	Very high	90.1	Very high	51 Å²	51	54 Å²	54	42%	0.421	33%	0.329	S	S	.	.	H	α-helix	trans	-60.1	-43.7	-178.5	0	0	0	0	0	111.6	A276 A277 T284	A276-A280 VanDerWaalsContact O-CB 3.29Å; A276-A280 WeakPolarHBondContact O-CB 3.34Å; A276-A280 PolarHBondContact O-N 3.11Å; A277-A280 PolarHBondContact O-N 3.44Å; A280-T284 WeakPolarHBondContact O-CB 3.23Å; A280-T284 PolarHBondContact O-N 3.32Å; A280-T284 PolarHBondContact O-OG1 2.96Å
281	L	92.5	Very high	90.4	Very high	66 Å²	66	55.9 Å²	55.9	35%	0.346	34%	0.342	S	S	.	.	H	α-helix	trans	-64.2	-44.5	175.5	-73.3	170.7	0	0	0	112.3	I270 A277 R278 V279 T285	I270-L281 HydrophobicContact CD1-CD1 3.43Å; I270-L281 VanDerWaalsContact CD1-CD1 3.43Å; A277-L281 WeakPolarHBondContact O-CG 3.19Å; A277-L281 PolarHBondContact O-N 2.99Å; A277-L281 VanDerWaalsContact O-N 3.09Å; R278-L281 PolarHBondContact O-N 3.04Å; V279-L281 VanDerWaalsContact C-N 3.33Å; V279-L281 PolarHBondContact O-N 3.35Å; L281-T285 WeakPolarHBondContact O-CB 3.39Å; L281-T285 VanDerWaalsContact O-CG2 3.27Å; L281-T285 WeakPolarHBondContact O-CG2 3.11Å; L281-T285 PolarHBondContact O-N 2.95Å; L281-T285 PolarHBondContact O-OG1 3.39Å
282	G	91.5	Very high	90.8	Very high	10 Å²	10	51.8 Å²	51.8	10%	0.103	32%	0.32	C	S	.	.	H	α-helix	trans	-65	-44.9	179.7	0	0	0	0	0	113.2	R278 V279 T285 V286	R278-G282 PolarHBondContact O-N 3.24Å; V279-G282 PolarHBondContact O-N 3.48Å; G282-T285 PolarHBondContact O-OG1 2.7Å; G282-V286 WeakPolarHBondContact O-CG2 3.39Å; G282-V286 PolarHBondContact O-N 2.7Å
283	I	93.3	Very high	91.3	Very high	95 Å²	95	50.7 Å²	50.7	49%	0.487	32%	0.317	S	S	.	.	H	α-helix	trans	-67.2	-44.4	177.7	-66.2	176.1	0	0	0	110.7	V279 T285 V286 L287	V279-I283 HydrophobicContact CG1-CD1 3.5Å; V279-I283 HydrophobicContact CG1-CG1 4.15Å; V279-I283 WeakPolarHBondContact O-CG1 3.46Å; V279-I283 PolarHBondContact O-N 2.96Å; I283-T285 VanDerWaalsContact C-N 3.35Å; I283-T285 PolarHBondContact O-N 3.44Å; I283-V286 PolarHBondContact O-N 3.17Å; I283-L287 WeakPolarHBondContact O-CB 3.25Å; I283-L287 PolarHBondContact O-N 2.92Å
284	T	95.2	Very high	91.8	Very high	80 Å²	80	48.8 Å²	48.8	49%	0.491	31%	0.31	S	S	.	.	H	α-helix	trans	-62.1	-43.5	-179.5	-58	0	0	0	0	110.9	A280 V286 L287 T288	A280-T284 WeakPolarHBondContact O-CB 3.23Å; A280-T284 PolarHBondContact O-N 3.32Å; A280-T284 PolarHBondContact O-OG1 2.96Å; T284-V286 PolarHBondContact O-N 3.38Å; T284-L287 PolarHBondContact O-N 2.7Å; T284-T288 PolarHBondContact O-N 2.95Å; T284-T288 PolarHBondContact O-OG1 2.83Å
285	T	94.8	Very high	92	Very high	9 Å²	9	51 Å²	51	6%	0.055	31%	0.313	C	S	.	.	H	α-helix	trans	-64.9	-40	178.7	48.8	0	0	0	0	112.7	I260 L263 L281 G282 I283 T288 M289 V320	I260-T285 HydrophobicContact CG2-CG2 4.37Å; L263-T285 HydrophobicContact CB-CG2 4.34Å; L281-T285 WeakPolarHBondContact O-CB 3.39Å; L281-T285 VanDerWaalsContact O-CG2 3.27Å; L281-T285 WeakPolarHBondContact O-CG2 3.11Å; L281-T285 PolarHBondContact O-N 2.95Å; L281-T285 PolarHBondContact O-OG1 3.39Å; G282-T285 PolarHBondContact O-OG1 2.7Å; I283-T285 VanDerWaalsContact C-N 3.35Å; I283-T285 PolarHBondContact O-N 3.44Å; T285-T288 PolarHBondContact O-N 3.47Å; T285-M289 WeakPolarHBondContact O-CB 3.27Å; T285-M289 PolarHBondContact O-N 3.46Å; T285-V320 WeakPolarHBondContact OG1-CG1 3.49Å
286	V	95.3	Very high	92.2	Very high	27 Å²	27	49.4 Å²	49.4	16%	0.164	30%	0.301	C	S	.	.	H	α-helix	trans	-62.5	-43.8	172.8	173	0	0	0	0	111.1	G282 I283 T284 M289 T290 F317 V320 L324	G282-V286 WeakPolarHBondContact O-CG2 3.39Å; G282-V286 PolarHBondContact O-N 2.7Å; I283-V286 PolarHBondContact O-N 3.17Å; T284-V286 PolarHBondContact O-N 3.38Å; V286-M289 PolarHBondContact O-N 3.25Å; V286-T290 WeakPolarHBondContact O-CB 3.48Å; V286-T290 PolarHBondContact O-N 3.29Å; V286-T290 PolarHBondContact O-OG1 3.03Å; V286-F317 HydrophobicContact CG1-CE2 4Å; V286-F317 HydrophobicContact CG1-CZ 4.43Å; V286-V320 HydrophobicContact CG2-CG1 3.73Å; V286-L324 HydrophobicContact CG2-CD2 4.35Å
287	L	95	Very high	92.1	Very high	109 Å²	109	53.4 Å²	53.4	57%	0.571	30%	0.299	S	S	*	.	H	α-helix	trans	-62.2	-49.1	176.9	178	62.3	0	0	0	111	I283 T284 M289 T290 T291	I283-L287 WeakPolarHBondContact O-CB 3.25Å; I283-L287 PolarHBondContact O-N 2.92Å; T284-L287 PolarHBondContact O-N 2.7Å; L287-M289 VanDerWaalsContact C-N 3.3Å; L287-M289 PolarHBondContact O-N 3.27Å; L287-T290 WeakPolarHBondContact O-CB 3.31Å; L287-T290 PolarHBondContact O-N 3.15Å; L287-T290 VanDerWaalsContact O-N 3.12Å; L287-T291 PolarHBondContact O-N 2.92Å; L287-T291 PolarHBondContact O-OG1 3.48Å
288	T	95	Very high	91.9	Very high	55 Å²	55	58.4 Å²	58.4	34%	0.337	32%	0.315	S	S	.	.	H	α-helix	trans	-59	-42.4	178.4	-49.9	0	0	0	0	111.5	I260 T284 T285 T290 T291 I292	I260-T288 HydrophobicContact CD1-CG2 3.44Å; I260-T288 VanDerWaalsContact CD1-CG2 3.44Å; I260-T288 HydrophobicContact CG1-CG2 4.16Å; T284-T288 PolarHBondContact O-N 2.95Å; T284-T288 PolarHBondContact O-OG1 2.83Å; T285-T288 PolarHBondContact O-N 3.47Å; T288-T290 VanDerWaalsContact C-N 3.34Å; T288-T290 PolarHBondContact O-N 3.43Å; T288-T291 PolarHBondContact O-N 3.39Å; T288-I292 WeakPolarHBondContact O-CG1 3.49Å; T288-I292 PolarHBondContact O-N 3.04Å
289	M	93	Very high	91.7	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-64	-40.3	176.6	-168.1	64	-170.6	0	0	112	T285 V286 L287 I292 N293 L313 C316 F317	T285-M289 WeakPolarHBondContact O-CB 3.27Å; T285-M289 PolarHBondContact O-N 3.46Å; V286-M289 PolarHBondContact O-N 3.25Å; L287-M289 VanDerWaalsContact C-N 3.3Å; L287-M289 PolarHBondContact O-N 3.27Å; M289-I292 PolarHBondContact O-N 3.15Å; M289-N293 VanDerWaalsContact O-CG 3.29Å; M289-N293 PolarHBondContact O-N 3.24Å; M289-N293 VanDerWaalsContact O-N 3.07Å; M289-L313 HydrophobicContact CE-CB 3.98Å; M289-L313 HydrophobicContact CE-CD2 3.66Å; M289-L313 HydrophobicContact CE-CG 4.44Å; M289-L313 WeakPolarHBondContact CE-O 3.31Å; M289-C316 HydrophobicContact CE-CB 3.45Å; M289-C316 VanDerWaalsContact CE-CB 3.45Å; M289-C316 HydrophobicContact SD-CB 4.32Å; M289-F317 HydrophobicContact CB-CD2 4.34Å; M289-F317 HydrophobicContact CG-CB 4.08Å; M289-F317 HydrophobicContact CG-CD2 3.98Å
290	T	93.3	Very high	91.5	Very high	58 Å²	58	60.4 Å²	60.4	36%	0.356	33%	0.327	S	S	.	.	H	α-helix	trans	-63.8	-41.5	175.4	-54.5	0	0	0	0	111.2	V286 L287 T288 N293 T294	V286-T290 WeakPolarHBondContact O-CB 3.48Å; V286-T290 PolarHBondContact O-N 3.29Å; V286-T290 PolarHBondContact O-OG1 3.03Å; L287-T290 WeakPolarHBondContact O-CB 3.31Å; L287-T290 PolarHBondContact O-N 3.15Å; L287-T290 VanDerWaalsContact O-N 3.12Å; T288-T290 VanDerWaalsContact C-N 3.34Å; T288-T290 PolarHBondContact O-N 3.43Å; T290-N293 PolarHBondContact O-N 3.47Å; T290-T294 PolarHBondContact O-N 2.84Å; T290-T294 PolarHBondContact O-OG1 2.87Å; T290-T294 VanDerWaalsContact O-OG1 3.07Å
291	T	94.5	Very high	91.2	Very high	84 Å²	84	58.7 Å²	58.7	52%	0.515	31%	0.312	S	S	.	.	H	α-helix	trans	-61.2	-44.5	176.5	-57.4	0	0	0	0	111.9	L287 T288 N293 T294 H295	L287-T291 PolarHBondContact O-N 2.92Å; L287-T291 PolarHBondContact O-OG1 3.48Å; T288-T291 PolarHBondContact O-N 3.39Å; T291-N293 VanDerWaalsContact C-N 3.34Å; T291-N293 PolarHBondContact O-N 3.48Å; T291-T294 PolarHBondContact O-N 3.33Å; T291-H295 WeakPolarHBondContact O-CB 3.38Å; T291-H295 PolarHBondContact O-N 3.41Å
292	I	92.9	Very high	90.8	Very high	30 Å²	30	65.7 Å²	65.7	15%	0.154	34%	0.339	C	S	.	.	H	α-helix	trans	-61.1	-44.1	176	-69.6	172.8	0	0	0	110.8	P256 I260 T288 M289 T294 H295 L296 L313	P256-I292 HydrophobicContact CB-CD1 4.29Å; I260-I292 HydrophobicContact CD1-CD1 3.3Å; T288-I292 WeakPolarHBondContact O-CG1 3.49Å; T288-I292 PolarHBondContact O-N 3.04Å; M289-I292 PolarHBondContact O-N 3.15Å; I292-T294 VanDerWaalsContact C-N 3.33Å; I292-T294 PolarHBondContact O-N 2.9Å; I292-H295 PolarHBondContact O-N 3.02Å; I292-L296 HydrophobicContact CG2-CD1 3.85Å; I292-L296 WeakPolarHBondContact O-CG 3.17Å; I292-L296 PolarHBondContact O-N 3.31Å; I292-L313 HydrophobicContact CG2-CD2 4.3Å
293	N	89.5	Confident	90.5	Very high	22 Å²	22	66.7 Å²	66.7	12%	0.118	34%	0.342	C	S	.	.	H	α-helix	trans	-62.4	-39.9	178.6	-71.7	-11.4	0	0	0	112.5	M289 T290 T291 R297 L313	M289-N293 VanDerWaalsContact O-CG 3.29Å; M289-N293 PolarHBondContact O-N 3.24Å; M289-N293 VanDerWaalsContact O-N 3.07Å; T290-N293 PolarHBondContact O-N 3.47Å; T291-N293 VanDerWaalsContact C-N 3.34Å; T291-N293 PolarHBondContact O-N 3.48Å; N293-R297 VanDerWaalsContact O-CG 3.31Å; N293-R297 WeakPolarHBondContact O-CG 3.38Å; N293-R297 PolarHBondContact O-N 3.23Å; N293-L313 VanDerWaalsContact OD1-CB 3.31Å; N293-L313 WeakPolarHBondContact OD1-CB 3.28Å; N293-L313 WeakPolarHBondContact OD1-CD1 3.41Å
294	T	90.9	Very high	90.3	Very high	71 Å²	71	68.7 Å²	68.7	44%	0.436	36%	0.361	S	S	.	.	H	α-helix	trans	-67.6	-46.1	176.8	-57.5	0	0	0	0	111	T290 T291 I292 L296 R297 E298	T290-T294 PolarHBondContact O-N 2.84Å; T290-T294 PolarHBondContact O-OG1 2.87Å; T290-T294 VanDerWaalsContact O-OG1 3.07Å; T291-T294 PolarHBondContact O-N 3.33Å; I292-T294 VanDerWaalsContact C-N 3.33Å; I292-T294 PolarHBondContact O-N 2.9Å; T294-L296 VanDerWaalsContact C-N 3.3Å; T294-L296 PolarHBondContact O-N 3.43Å; T294-R297 WeakPolarHBondContact O-CB 3.42Å; T294-R297 PolarHBondContact O-N 3.32Å; T294-E298 PolarHBondContact O-N 3.47Å; T294-E298 VanDerWaalsContact O-N 3.15Å
295	H	90.4	Very high	90.1	Very high	87 Å²	87	68.2 Å²	68.2	40%	0.403	35%	0.351	S	S	.	.	H	α-helix	trans	-58.1	-41.2	178	178.6	61.8	0	0	0	112.4	T291 I292 R297 E298 T299	T291-H295 WeakPolarHBondContact O-CB 3.38Å; T291-H295 PolarHBondContact O-N 3.41Å; I292-H295 PolarHBondContact O-N 3.02Å; H295-R297 VanDerWaalsContact C-N 3.31Å; H295-R297 PolarHBondContact O-N 2.97Å; H295-E298 PolarHBondContact O-N 3.27Å; H295-T299 PolarHBondContact O-N 3.07Å; H295-T299 PolarHBondContact O-OG1 3.02Å
296	L	87.6	Confident	89.9	Confident	13 Å²	13	72.1 Å²	72.1	7%	0.068	38%	0.375	C	S	.	.	H	α-helix	trans	-69.4	-26.8	177.1	-70.9	167.8	0	0	0	113.5	T253 I292 T294 E298 T299 L300 I309 L313	T253-L296 HydrophobicContact CG2-CD1 3.45Å; T253-L296 VanDerWaalsContact CG2-CD1 3.45Å; T253-L296 HydrophobicContact CG2-CD2 4.41Å; I292-L296 HydrophobicContact CG2-CD1 3.85Å; I292-L296 WeakPolarHBondContact O-CG 3.17Å; I292-L296 PolarHBondContact O-N 3.31Å; T294-L296 VanDerWaalsContact C-N 3.3Å; T294-L296 PolarHBondContact O-N 3.43Å; L296-E298 VanDerWaalsContact C-N 3.35Å; L296-T299 PolarHBondContact O-OG1 3.35Å; L296-L300 WeakPolarHBondContact O-CB 3.4Å; L296-L300 WeakPolarHBondContact O-CD1 3.19Å; L296-L300 WeakPolarHBondContact O-CG 3.35Å; L296-L300 PolarHBondContact O-N 3.31Å; L296-I309 HydrophobicContact CD1-CD1 4.5Å; L296-L313 HydrophobicContact CD1-CD1 3.34Å; L296-L313 HydrophobicContact CD1-CD2 4.32Å; L296-L313 HydrophobicContact CD1-CG 4.43Å
297	R	85.2	Confident	89.8	Confident	162 Å²	162	71.7 Å²	71.7	61%	0.611	37%	0.371	S	S	*	.	H	α-helix	trans	-76.7	-24.3	175	-73.4	173.5	179	-153.9	1	112.8	N293 T294 H295	N293-R297 VanDerWaalsContact O-CG 3.31Å; N293-R297 WeakPolarHBondContact O-CG 3.38Å; N293-R297 PolarHBondContact O-N 3.23Å; T294-R297 WeakPolarHBondContact O-CB 3.42Å; T294-R297 PolarHBondContact O-N 3.32Å; H295-R297 VanDerWaalsContact C-N 3.31Å; H295-R297 PolarHBondContact O-N 2.97Å
298	E	87.8	Confident	89.7	Confident	149 Å²	149	66.5 Å²	66.5	70%	0.696	34%	0.343	S	S	*	.	H	α-helix	trans	-77.3	-33.7	176.5	-70.6	176	175.5	0	0	112.2	T294 H295 L296	T294-E298 PolarHBondContact O-N 3.47Å; T294-E298 VanDerWaalsContact O-N 3.15Å; H295-E298 PolarHBondContact O-N 3.27Å; L296-E298 VanDerWaalsContact C-N 3.35Å
299	T	85.8	Confident	89.6	Confident	75 Å²	75	63.9 Å²	63.9	46%	0.46	33%	0.328	S	S	.	.	H	α-helix	trans	-81.4	-19.6	-179.7	55.8	0	0	0	0	113.5	H295 L296	H295-T299 PolarHBondContact O-N 3.07Å; H295-T299 PolarHBondContact O-OG1 3.02Å; L296-T299 PolarHBondContact O-OG1 3.35Å
300	L	84.8	Confident	89.6	Confident	16 Å²	16	65.4 Å²	65.4	8%	0.084	34%	0.336	C	S	.	.	S	Bend	trans	-104.2	151.6	-176	-60.9	176.7	0	0	0	112.6	Y171 L296	Y171-L300 HydrophobicContact CD1-CD1 4.18Å; Y171-L300 HydrophobicContact CE1-CD1 3.65Å; Y171-L300 HydrophobicContact CE1-CD2 3.66Å; Y171-L300 HydrophobicContact CE1-CG 4.33Å; Y171-L300 HydrophobicContact CE2-CD2 4.13Å; Y171-L300 WeakPolarHBondContact OH-CD2 3.24Å; L296-L300 WeakPolarHBondContact O-CB 3.4Å; L296-L300 WeakPolarHBondContact O-CD1 3.19Å; L296-L300 WeakPolarHBondContact O-CG 3.35Å; L296-L300 PolarHBondContact O-N 3.31Å
301	P	86.6	Confident	89.6	Confident	15 Å²	15	67.3 Å²	67.3	10%	0.097	34%	0.342	C	S	.	.			trans	-53.7	142.3	167.8	21.9	-34.5	0	0	0	111.8	E80 L168 I303	E80-P301 HydrophobicContact CB-CG 4.11Å; E80-P301 VanDerWaalsContact O-CG 3.3Å; E80-P301 WeakPolarHBondContact O-CG 3.41Å; L168-P301 HydrophobicContact CD1-CG 3.85Å; P301-I303 HydrophobicContact CB-CD1 3.99Å; P301-I303 HydrophobicContact CB-CG1 3.89Å; P301-I303 HydrophobicContact CG-CD1 3.61Å; P301-I303 HydrophobicContact CG-CG1 4.04Å; P301-I303 PolarHBondContact O-N 3.33Å; P301-I303 VanDerWaalsContact O-N 3.11Å
302	K	84.3	Confident	89.6	Confident	212 Å²	212	63.3 Å²	63.3	92%	0.922	32%	0.317	S	S	*	.			trans	-75.2	100.3	171.2	-66.7	-179.6	-177	176.4	0	109.3
303	I	86.6	Confident	89.6	Confident	32 Å²	32	62.1 Å²	62.1	16%	0.164	31%	0.311	C	S	.	.			trans	-115.6	138.6	-177.6	-62.3	177.7	0	0	0	109.1	M83 L168 P301 Y305	M83-I303 HydrophobicContact CE-CD1 3.74Å; M83-I303 HydrophobicContact CE-CG1 4.4Å; L168-I303 HydrophobicContact CB-CD1 4.07Å; L168-I303 HydrophobicContact CD1-CD1 3.3Å; L168-I303 HydrophobicContact CG-CD1 4.22Å; P301-I303 HydrophobicContact CB-CD1 3.99Å; P301-I303 HydrophobicContact CB-CG1 3.89Å; P301-I303 HydrophobicContact CG-CD1 3.61Å; P301-I303 HydrophobicContact CG-CG1 4.04Å; P301-I303 PolarHBondContact O-N 3.33Å; P301-I303 VanDerWaalsContact O-N 3.11Å; I303-Y305 VanDerWaalsContact C-N 3.27Å; I303-Y305 HydrophobicContact CG2-CD1 3.39Å; I303-Y305 HydrophobicContact CG2-CD2 3.82Å; I303-Y305 HydrophobicContact CG2-CE1 3.1Å; I303-Y305 HydrophobicContact CG2-CE2 3.55Å; I303-Y305 HydrophobicContact CG2-CG 3.74Å; I303-Y305 PolarHBondContact O-N 2.95Å
304	P	87.7	Confident	89.8	Confident	137 Å²	137	65.5 Å²	65.5	89%	0.89	33%	0.327	S	S	*	.	S	Bend	trans	-77.5	-5.2	-172.1	30.9	-37.2	0	0	0	114.8
305	Y	90.8	Very high	89.9	Confident	69 Å²	69	62.7 Å²	62.7	27%	0.271	31%	0.313	S	S	.	.	S	Bend	trans	-107.2	157	179.2	56.6	-106.3	0	0	0	112.5	L168 R169 I303	L168-Y305 HydrophobicContact CB-CE2 4.36Å; L168-Y305 PolarHBondContact N-OH 2.91Å; L168-Y305 VanDerWaalsContact N-OH 3.11Å; R169-Y305 HydrophobicContact CB-CE2 4.44Å; R169-Y305 HydrophobicContact CG-CD2 3.77Å; R169-Y305 HydrophobicContact CG-CE2 3.71Å; R169-Y305 HydrophobicContact CG-CG 4.43Å; I303-Y305 VanDerWaalsContact C-N 3.27Å; I303-Y305 HydrophobicContact CG2-CD1 3.39Å; I303-Y305 HydrophobicContact CG2-CD2 3.82Å; I303-Y305 HydrophobicContact CG2-CE1 3.1Å; I303-Y305 HydrophobicContact CG2-CE2 3.55Å; I303-Y305 HydrophobicContact CG2-CG 3.74Å; I303-Y305 PolarHBondContact O-N 2.95Å
306	V	90.8	Very high	90.1	Very high	92 Å²	92	58.6 Å²	58.6	56%	0.558	29%	0.294	S	S	*	.			trans	-74.8	130.1	179.9	-174.1	0	0	0	0	110.1	D310 M311	V306-D310 HydrophobicContact CG1-CB 4.08Å; V306-M311 HydrophobicContact CG1-CG 3.72Å; V306-M311 HydrophobicContact CG1-SD 3.66Å
307	K	93.1	Very high	90.5	Very high	17 Å²	17	60.5 Å²	60.5	7%	0.074	30%	0.302	C	S	.	.			trans	-93.7	157	176.8	-56.7	178.4	-60.6	-58.4	0	110.8	I309 D310 M311	K307-I309 VanDerWaalsContact C-N 3.28Å; K307-I309 HydrophobicContact CB-CG2 4.08Å; K307-I309 PolarHBondContact O-N 3.17Å; K307-D310 WeakPolarHBondContact CB-OD2 3.03Å; K307-D310 PolarHBondContact N-OD2 3.14Å; K307-D310 IonicContact NZ-OD1 2.81Å; K307-D310 PolarHBondContact NZ-OD1 2.63Å; K307-D310 IonicContact NZ-OD2 3.52Å; K307-D310 PolarHBondContact NZ-OD2 3.24Å; K307-D310 WeakPolarHBondContact O-CB 3.31Å; K307-D310 PolarHBondContact O-N 3.09Å; K307-M311 PolarHBondContact O-N 2.78Å; K307-M311 VanDerWaalsContact O-N 3.11Å
308	A	93.4	Very high	90.9	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-54.3	-44.7	175.7	0	0	0	0	0	112.3	R169 Y171 D310 M311 Y312 Y522 Y526	R169-A308 PolarHBondContact O-N 2.96Å; Y171-A308 WeakPolarHBondContact O-CB 3.25Å; A308-D310 VanDerWaalsContact C-N 3.3Å; A308-D310 PolarHBondContact O-N 3.4Å; A308-M311 WeakPolarHBondContact O-CB 3.35Å; A308-M311 PolarHBondContact O-N 3.05Å; A308-M311 VanDerWaalsContact O-N 3.16Å; A308-Y312 PolarHBondContact O-N 3.36Å; A308-Y312 VanDerWaalsContact O-N 3.08Å; A308-Y522 PolarHBondContact O-OH 3.25Å; A308-Y526 HydrophobicContact CB-CD1 3.5Å; A308-Y526 VanDerWaalsContact CB-CD1 3.5Å; A308-Y526 HydrophobicContact CB-CD2 4.33Å; A308-Y526 HydrophobicContact CB-CE1 3.27Å; A308-Y526 HydrophobicContact CB-CE2 4.16Å; A308-Y526 HydrophobicContact CB-CG 4.03Å
309	I	93.2	Very high	91.3	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-60.2	-36.7	174.9	-159.6	171	0	0	0	113.1	Y171 T253 L296 K307 M311 Y312 L313	Y171-I309 HydrophobicContact CD1-CB 4.38Å; Y171-I309 HydrophobicContact CD1-CG2 3.79Å; Y171-I309 HydrophobicContact CE1-CD1 4.28Å; Y171-I309 HydrophobicContact CE1-CG2 4.28Å; Y171-I309 PolarHBondContact O-N 2.89Å; Y171-I309 VanDerWaalsContact O-N 3.09Å; T253-I309 HydrophobicContact CG2-CD1 3.98Å; T253-I309 HydrophobicContact CG2-CG1 4.34Å; L296-I309 HydrophobicContact CD1-CD1 4.5Å; K307-I309 VanDerWaalsContact C-N 3.28Å; K307-I309 HydrophobicContact CB-CG2 4.08Å; K307-I309 PolarHBondContact O-N 3.17Å; I309-M311 VanDerWaalsContact C-N 3.33Å; I309-M311 PolarHBondContact O-N 3.11Å; I309-Y312 PolarHBondContact O-N 3.31Å; I309-L313 HydrophobicContact CG1-CD1 4.11Å; I309-L313 WeakPolarHBondContact O-CB 3.24Å; I309-L313 VanDerWaalsContact O-CG 3.27Å; I309-L313 WeakPolarHBondContact O-CG 3.5Å; I309-L313 PolarHBondContact O-N 2.87Å
310	D	92.1	Very high	91.7	Very high	31 Å²	31	46.8 Å²	46.8	17%	0.166	24%	0.244	C	C	.	.	H	α-helix	trans	-66.7	-39.4	178.2	-59.6	-32.4	0	0	0	110	V306 K307 A308 Y312 L313 M314	V306-D310 HydrophobicContact CG1-CB 4.08Å; K307-D310 WeakPolarHBondContact CB-OD2 3.03Å; K307-D310 PolarHBondContact N-OD2 3.14Å; K307-D310 IonicContact NZ-OD1 2.81Å; K307-D310 PolarHBondContact NZ-OD1 2.63Å; K307-D310 IonicContact NZ-OD2 3.52Å; K307-D310 PolarHBondContact NZ-OD2 3.24Å; K307-D310 WeakPolarHBondContact O-CB 3.31Å; K307-D310 PolarHBondContact O-N 3.09Å; A308-D310 VanDerWaalsContact C-N 3.3Å; A308-D310 PolarHBondContact O-N 3.4Å; D310-Y312 VanDerWaalsContact C-N 3.34Å; D310-Y312 PolarHBondContact O-N 3.06Å; D310-L313 PolarHBondContact O-N 3.35Å; D310-M314 VanDerWaalsContact O-CB 3.25Å; D310-M314 WeakPolarHBondContact O-CB 3.41Å; D310-M314 WeakPolarHBondContact O-CG 3.47Å; D310-M314 PolarHBondContact O-N 3.32Å
311	M	92.9	Very high	92.1	Very high	99 Å²	99	50.3 Å²	50.3	49%	0.488	26%	0.259	S	S	.	.	H	α-helix	trans	-62.5	-41	175	-70.7	-60.4	-62.9	0	0	111.9	V306 K307 A308 I309 G315	V306-M311 HydrophobicContact CG1-CG 3.72Å; V306-M311 HydrophobicContact CG1-SD 3.66Å; K307-M311 PolarHBondContact O-N 2.78Å; K307-M311 VanDerWaalsContact O-N 3.11Å; A308-M311 WeakPolarHBondContact O-CB 3.35Å; A308-M311 PolarHBondContact O-N 3.05Å; A308-M311 VanDerWaalsContact O-N 3.16Å; I309-M311 VanDerWaalsContact C-N 3.33Å; I309-M311 PolarHBondContact O-N 3.11Å; M311-G315 PolarHBondContact O-N 2.87Å
312	Y	94.8	Very high	92.4	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-62.3	-50.9	176.7	-173.6	-99.1	0	0	0	111.8	Y254 I258 A308 I309 D310 G315 C316 F518 N519 Y522	Y254-Y312 AromaticContact CD1-CD1 3.56Å; Y254-Y312 HydrophobicContact CD1-CD1 3.56Å; Y254-Y312 HydrophobicContact CD1-CD2 4.21Å; Y254-Y312 AromaticContact CD1-CE1 3.4Å; Y254-Y312 HydrophobicContact CD1-CE1 3.4Å; Y254-Y312 VanDerWaalsContact CD1-CE1 3.4Å; Y254-Y312 HydrophobicContact CD1-CE2 4.07Å; Y254-Y312 AromaticContact CD1-CG 3.97Å; Y254-Y312 HydrophobicContact CD1-CG 3.97Å; Y254-Y312 AromaticContact CD1-CZ 3.67Å; Y254-Y312 AromaticContact CE1-CD1 3.63Å; Y254-Y312 HydrophobicContact CE1-CD1 3.63Å; Y254-Y312 AromaticContact CE1-CD2 3.96Å; Y254-Y312 HydrophobicContact CE1-CD2 3.96Å; Y254-Y312 AromaticContact CE1-CE1 3.97Å; Y254-Y312 HydrophobicContact CE1-CE1 3.97Å; Y254-Y312 HydrophobicContact CE1-CE2 4.26Å; Y254-Y312 AromaticContact CE1-CG 3.63Å; Y254-Y312 HydrophobicContact CE1-CG 3.63Å; Y254-Y312 HydrophobicContact CG-CE1 4.37Å; I258-Y312 WeakPolarHBondContact CD1-OH 3.35Å; I258-Y312 WeakPolarHBondContact CG1-OH 3.29Å; A308-Y312 PolarHBondContact O-N 3.36Å; A308-Y312 VanDerWaalsContact O-N 3.08Å; I309-Y312 PolarHBondContact O-N 3.31Å; D310-Y312 VanDerWaalsContact C-N 3.34Å; D310-Y312 PolarHBondContact O-N 3.06Å; Y312-G315 PolarHBondContact O-N 2.8Å; Y312-C316 PolarHBondContact O-N 3.48Å; Y312-C316 PolarHBondContact O-SG 3Å; Y312-F518 AromaticContact CD2-CE1 3.9Å; Y312-F518 HydrophobicContact CD2-CE1 3.9Å; Y312-F518 HydrophobicContact CD2-CZ 4.28Å; Y312-F518 AromaticContact CE2-CE1 3.97Å; Y312-F518 HydrophobicContact CE2-CE1 3.97Å; Y312-N519 WeakPolarHBondContact CE2-OD1 3.31Å; Y312-N519 PolarHBondContact OH-OD1 3.33Å; Y312-N519 VanDerWaalsContact OH-OD1 3.12Å; Y312-Y522 AromaticContact CD2-CD1 3.68Å; Y312-Y522 HydrophobicContact CD2-CD1 3.68Å; Y312-Y522 AromaticContact CD2-CD2 3.96Å; Y312-Y522 HydrophobicContact CD2-CD2 3.96Å; Y312-Y522 AromaticContact CD2-CE1 3.74Å; Y312-Y522 HydrophobicContact CD2-CE1 3.74Å; Y312-Y522 HydrophobicContact CD2-CE2 4.02Å; Y312-Y522 AromaticContact CD2-CG 3.8Å; Y312-Y522 HydrophobicContact CD2-CG 3.8Å; Y312-Y522 AromaticContact CD2-CZ 3.92Å; Y312-Y522 HydrophobicContact CE2-CD1 4.17Å; Y312-Y522 HydrophobicContact CE2-CE1 4.44Å; Y312-Y522 HydrophobicContact CE2-CG 4.47Å; Y312-Y522 HydrophobicContact CG-CE1 4.28Å; Y312-Y522 HydrophobicContact CG-CE2 4.29Å
313	L	93.3	Very high	92.8	Very high	4 Å²	4	43.3 Å²	43.3	2%	0.021	23%	0.23	C	C	.	.	H	α-helix	trans	-66.2	-39.1	-179	-68.9	169	0	0	0	112.4	T253 S257 M289 I292 N293 L296 I309 D310 G315 C316 F317	T253-L313 HydrophobicContact CG2-CD2 4.01Å; S257-L313 WeakPolarHBondContact OG-CD2 3.31Å; M289-L313 HydrophobicContact CE-CB 3.98Å; M289-L313 HydrophobicContact CE-CD2 3.66Å; M289-L313 HydrophobicContact CE-CG 4.44Å; M289-L313 WeakPolarHBondContact CE-O 3.31Å; I292-L313 HydrophobicContact CG2-CD2 4.3Å; N293-L313 VanDerWaalsContact OD1-CB 3.31Å; N293-L313 WeakPolarHBondContact OD1-CB 3.28Å; N293-L313 WeakPolarHBondContact OD1-CD1 3.41Å; L296-L313 HydrophobicContact CD1-CD1 3.34Å; L296-L313 HydrophobicContact CD1-CD2 4.32Å; L296-L313 HydrophobicContact CD1-CG 4.43Å; I309-L313 HydrophobicContact CG1-CD1 4.11Å; I309-L313 WeakPolarHBondContact O-CB 3.24Å; I309-L313 VanDerWaalsContact O-CG 3.27Å; I309-L313 WeakPolarHBondContact O-CG 3.5Å; I309-L313 PolarHBondContact O-N 2.87Å; D310-L313 PolarHBondContact O-N 3.35Å; L313-G315 VanDerWaalsContact C-N 3.32Å; L313-C316 PolarHBondContact O-N 2.89Å; L313-F317 VanDerWaalsContact O-CB 3.31Å; L313-F317 WeakPolarHBondContact O-CB 3.49Å; L313-F317 PolarHBondContact O-N 3.31Å
314	M	93.1	Very high	93	Very high	93 Å²	93	43.9 Å²	43.9	46%	0.458	23%	0.233	S	C	.	.	H	α-helix	trans	-64.6	-38.1	172.9	-73.6	-60.3	-63.2	0	0	111.5	D310 F317 V318	D310-M314 VanDerWaalsContact O-CB 3.25Å; D310-M314 WeakPolarHBondContact O-CB 3.41Å; D310-M314 WeakPolarHBondContact O-CG 3.47Å; D310-M314 PolarHBondContact O-N 3.32Å; M314-F317 PolarHBondContact O-N 2.87Å; M314-V318 WeakPolarHBondContact O-CG2 3.03Å; M314-V318 PolarHBondContact O-N 3.37Å
315	G	94.2	Very high	93.2	Very high	13 Å²	13	41.2 Å²	41.2	13%	0.134	21%	0.211	C	C	.	.	H	α-helix	trans	-58.2	-54.7	172.5	0	0	0	0	0	112	M311 Y312 L313 F317 V318 F319	M311-G315 PolarHBondContact O-N 2.87Å; Y312-G315 PolarHBondContact O-N 2.8Å; L313-G315 VanDerWaalsContact C-N 3.32Å; G315-F317 VanDerWaalsContact C-N 3.3Å; G315-F317 PolarHBondContact O-N 3.3Å; G315-V318 PolarHBondContact O-N 3.18Å; G315-V318 VanDerWaalsContact O-N 3.15Å; G315-F319 WeakPolarHBondContact O-CD2 3.47Å; G315-F319 PolarHBondContact O-N 3.07Å; G315-F319 VanDerWaalsContact O-N 3.11Å
316	C	94.9	Very high	93.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-57.1	-41.2	176	-67.3	0	0	0	0	112.3	M289 Y312 L313 V318 F319 V320	M289-C316 HydrophobicContact CE-CB 3.45Å; M289-C316 VanDerWaalsContact CE-CB 3.45Å; M289-C316 HydrophobicContact SD-CB 4.32Å; Y312-C316 PolarHBondContact O-N 3.48Å; Y312-C316 PolarHBondContact O-SG 3Å; L313-C316 PolarHBondContact O-N 2.89Å; C316-V318 PolarHBondContact O-N 3.17Å; C316-F319 PolarHBondContact O-N 2.95Å; C316-V320 WeakPolarHBondContact O-CG2 3.41Å; C316-V320 PolarHBondContact O-N 3.12Å
317	F	94.8	Very high	93	Very high	54 Å²	54	35.5 Å²	35.5	24%	0.237	18%	0.18	C	C	.	.	H	α-helix	trans	-60.9	-43.1	176.4	-179.8	-94.1	0	0	0	112.2	V286 M289 L313 M314 G315 F319 V320 F321	V286-F317 HydrophobicContact CG1-CE2 4Å; V286-F317 HydrophobicContact CG1-CZ 4.43Å; M289-F317 HydrophobicContact CB-CD2 4.34Å; M289-F317 HydrophobicContact CG-CB 4.08Å; M289-F317 HydrophobicContact CG-CD2 3.98Å; L313-F317 VanDerWaalsContact O-CB 3.31Å; L313-F317 WeakPolarHBondContact O-CB 3.49Å; L313-F317 PolarHBondContact O-N 3.31Å; M314-F317 PolarHBondContact O-N 2.87Å; G315-F317 VanDerWaalsContact C-N 3.3Å; G315-F317 PolarHBondContact O-N 3.3Å; F317-F319 VanDerWaalsContact C-N 3.35Å; F317-F319 PolarHBondContact O-N 3.34Å; F317-V320 PolarHBondContact O-N 2.95Å; F317-F321 VanDerWaalsContact O-CB 3.31Å; F317-F321 WeakPolarHBondContact O-CB 3.46Å; F317-F321 PolarHBondContact O-N 3.32Å
318	V	95.1	Very high	92.8	Very high	71 Å²	71	37.1 Å²	37.1	43%	0.43	20%	0.197	S	C	.	.	H	α-helix	trans	-61.9	-42	175.7	170.4	0	0	0	0	111.1	M314 G315 C316 F321 L322	M314-V318 WeakPolarHBondContact O-CG2 3.03Å; M314-V318 PolarHBondContact O-N 3.37Å; G315-V318 PolarHBondContact O-N 3.18Å; G315-V318 VanDerWaalsContact O-N 3.15Å; C316-V318 PolarHBondContact O-N 3.17Å; V318-F321 PolarHBondContact O-N 3.44Å; V318-L322 HydrophobicContact CG1-CD1 3.91Å; V318-L322 HydrophobicContact CG1-CG 4.22Å; V318-L322 WeakPolarHBondContact O-CB 3.48Å; V318-L322 VanDerWaalsContact O-CG 3.24Å; V318-L322 WeakPolarHBondContact O-CG 3.32Å; V318-L322 PolarHBondContact O-N 3.28Å
319	F	94.5	Very high	92.5	Very high	26 Å²	26	42.5 Å²	42.5	11%	0.114	22%	0.22	C	C	.	.	H	α-helix	trans	-62.4	-45.6	176.9	-76.8	-73.5	0	0	0	112.8	T261 G315 C316 F317 F321 L322 A323 V514 F515 F518	T261-F319 HydrophobicContact CG2-CB 3.96Å; G315-F319 WeakPolarHBondContact O-CD2 3.47Å; G315-F319 PolarHBondContact O-N 3.07Å; G315-F319 VanDerWaalsContact O-N 3.11Å; C316-F319 PolarHBondContact O-N 2.95Å; F317-F319 VanDerWaalsContact C-N 3.35Å; F317-F319 PolarHBondContact O-N 3.34Å; F319-F321 VanDerWaalsContact C-N 3.32Å; F319-F321 PolarHBondContact O-N 3.18Å; F319-L322 PolarHBondContact O-N 3.5Å; F319-A323 PolarHBondContact O-N 2.78Å; F319-V514 HydrophobicContact CE1-CB 4.2Å; F319-V514 HydrophobicContact CE1-CG1 3.72Å; F319-V514 HydrophobicContact CZ-CG1 3.83Å; F319-F515 AromaticContact CD2-CD2 3.72Å; F319-F515 HydrophobicContact CD2-CD2 3.72Å; F319-F515 HydrophobicContact CD2-CE2 4.32Å; F319-F515 HydrophobicContact CE1-CB 4.4Å; F319-F515 AromaticContact CE2-CD2 3.88Å; F319-F515 HydrophobicContact CE2-CD2 3.88Å; F319-F515 HydrophobicContact CG-CD2 4.17Å; F319-F515 HydrophobicContact CZ-CB 4.48Å; F319-F515 HydrophobicContact CZ-CD2 4.43Å; F319-F518 HydrophobicContact CE2-CB 4.1Å; F319-F518 HydrophobicContact CE2-CD1 4.13Å; F319-F518 HydrophobicContact CE2-CD2 4.49Å; F319-F518 AromaticContact CE2-CG 3.98Å; F319-F518 HydrophobicContact CE2-CG 3.98Å; F319-F518 HydrophobicContact CZ-CB 4.17Å
320	V	94.7	Very high	92.1	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.006	22%	0.221	C	C	.	.	H	α-helix	trans	-63	-41.3	176.9	176.2	0	0	0	0	110.7	T285 V286 C316 F317 A323 L324	T285-V320 WeakPolarHBondContact OG1-CG1 3.49Å; V286-V320 HydrophobicContact CG2-CG1 3.73Å; C316-V320 WeakPolarHBondContact O-CG2 3.41Å; C316-V320 PolarHBondContact O-N 3.12Å; F317-V320 PolarHBondContact O-N 2.95Å; V320-A323 WeakPolarHBondContact O-CB 3.48Å; V320-A323 PolarHBondContact O-N 3.04Å; V320-L324 PolarHBondContact O-N 3.04Å
321	F	94.1	Very high	91.8	Very high	90 Å²	90	43.6 Å²	43.6	40%	0.395	23%	0.226	S	C	.	.	H	α-helix	trans	-64.6	-41.3	176.5	-175.7	-106.2	0	0	0	112.4	F317 V318 F319 A323 L324 L325	F317-F321 VanDerWaalsContact O-CB 3.31Å; F317-F321 WeakPolarHBondContact O-CB 3.46Å; F317-F321 PolarHBondContact O-N 3.32Å; V318-F321 PolarHBondContact O-N 3.44Å; F319-F321 VanDerWaalsContact C-N 3.32Å; F319-F321 PolarHBondContact O-N 3.18Å; F321-A323 VanDerWaalsContact C-N 3.3Å; F321-A323 PolarHBondContact O-N 2.87Å; F321-L324 PolarHBondContact O-N 3.28Å; F321-L325 HydrophobicContact CD1-CD1 3.97Å; F321-L325 HydrophobicContact CD1-CG 4.21Å; F321-L325 HydrophobicContact CE1-CD1 3.54Å; F321-L325 HydrophobicContact CE1-CD2 4.29Å; F321-L325 HydrophobicContact CE1-CG 3.88Å; F321-L325 HydrophobicContact CZ-CD1 4.22Å; F321-L325 HydrophobicContact CZ-CD2 4.15Å; F321-L325 HydrophobicContact CZ-CG 4.19Å; F321-L325 PolarHBondContact O-N 3.49Å
322	L	93.1	Very high	91.4	Very high	75 Å²	75	46 Å²	46	39%	0.393	23%	0.231	S	C	.	.	H	α-helix	trans	-63.5	-34.9	174.9	-73.5	173.7	0	0	0	112.1	V318 F319 L324 L325 E326 F511	V318-L322 HydrophobicContact CG1-CD1 3.91Å; V318-L322 HydrophobicContact CG1-CG 4.22Å; V318-L322 WeakPolarHBondContact O-CB 3.48Å; V318-L322 VanDerWaalsContact O-CG 3.24Å; V318-L322 WeakPolarHBondContact O-CG 3.32Å; V318-L322 PolarHBondContact O-N 3.28Å; F319-L322 PolarHBondContact O-N 3.5Å; L322-L324 VanDerWaalsContact C-N 3.34Å; L322-L325 HydrophobicContact CD2-CD1 4.36Å; L322-L325 PolarHBondContact O-N 3.36Å; L322-E326 WeakPolarHBondContact O-CB 3.31Å; L322-E326 PolarHBondContact O-N 2.59Å; L322-F511 HydrophobicContact CB-CE1 3.88Å; L322-F511 HydrophobicContact CB-CZ 4.06Å
323	A	91.4	Very high	90.8	Very high	4 Å²	4	47.7 Å²	47.7	3%	0.033	24%	0.24	C	C	.	.	H	α-helix	trans	-65.4	-37	173.8	0	0	0	0	0	112.1	F268 F319 V320 F321 E326 Y327 F511	F268-A323 HydrophobicContact CE1-CB 4.27Å; F268-A323 HydrophobicContact CZ-CB 3.94Å; F319-A323 PolarHBondContact O-N 2.78Å; V320-A323 WeakPolarHBondContact O-CB 3.48Å; V320-A323 PolarHBondContact O-N 3.04Å; F321-A323 VanDerWaalsContact C-N 3.3Å; F321-A323 PolarHBondContact O-N 2.87Å; A323-E326 WeakPolarHBondContact O-CB 3.26Å; A323-E326 PolarHBondContact O-N 3.12Å; A323-Y327 PolarHBondContact O-N 3.42Å; A323-F511 HydrophobicContact CB-CE1 4.18Å
324	L	91.3	Very high	89.9	Confident	44 Å²	44	51 Å²	51	23%	0.23	25%	0.254	C	S	.	.	H	α-helix	trans	-68.4	-39.3	172.9	-178.7	65.5	0	0	0	112.1	V286 V320 F321 L322 E326 Y327 A328	V286-L324 HydrophobicContact CG2-CD2 4.35Å; V320-L324 PolarHBondContact O-N 3.04Å; F321-L324 PolarHBondContact O-N 3.28Å; L322-L324 VanDerWaalsContact C-N 3.34Å; L324-E326 VanDerWaalsContact C-N 3.33Å; L324-Y327 PolarHBondContact O-N 3.01Å; L324-A328 PolarHBondContact O-N 3.31Å; L324-A328 VanDerWaalsContact O-N 3.08Å
325	L	91	Very high	89	Confident	82 Å²	82	52.5 Å²	52.5	43%	0.429	26%	0.258	S	S	.	.	H	α-helix	trans	-65.7	-35.8	175.4	-72.7	-173.6	0	0	0	112.5	F321 L322 Y327 A328 F329	F321-L325 HydrophobicContact CD1-CD1 3.97Å; F321-L325 HydrophobicContact CD1-CG 4.21Å; F321-L325 HydrophobicContact CE1-CD1 3.54Å; F321-L325 HydrophobicContact CE1-CD2 4.29Å; F321-L325 HydrophobicContact CE1-CG 3.88Å; F321-L325 HydrophobicContact CZ-CD1 4.22Å; F321-L325 HydrophobicContact CZ-CD2 4.15Å; F321-L325 HydrophobicContact CZ-CG 4.19Å; F321-L325 PolarHBondContact O-N 3.49Å; L322-L325 HydrophobicContact CD2-CD1 4.36Å; L322-L325 PolarHBondContact O-N 3.36Å; L325-Y327 VanDerWaalsContact C-N 3.32Å; L325-Y327 PolarHBondContact O-N 3.27Å; L325-A328 PolarHBondContact O-N 3.28Å; L325-F329 WeakPolarHBondContact O-CB 3.23Å; L325-F329 PolarHBondContact O-N 3.05Å
326	E	90.8	Very high	87.7	Confident	15 Å²	15	53.4 Å²	53.4	7%	0.07	27%	0.267	C	S	.	.	H	α-helix	trans	-56.8	-48.6	173.4	-173.7	-76.2	158.4	0	0	110.4	F268 L322 A323 L324 A328 F329 V330 I503	F268-E326 HydrophobicContact CD1-CG 4.5Å; F268-E326 HydrophobicContact CE1-CB 4.18Å; F268-E326 HydrophobicContact CE1-CG 3.92Å; F268-E326 WeakPolarHBondContact CE1-OE2 3.23Å; L322-E326 WeakPolarHBondContact O-CB 3.31Å; L322-E326 PolarHBondContact O-N 2.59Å; A323-E326 WeakPolarHBondContact O-CB 3.26Å; A323-E326 PolarHBondContact O-N 3.12Å; L324-E326 VanDerWaalsContact C-N 3.33Å; E326-A328 PolarHBondContact O-N 3.13Å; E326-F329 WeakPolarHBondContact O-CB 3.31Å; E326-F329 PolarHBondContact O-N 3.25Å; E326-F329 VanDerWaalsContact O-N 3.14Å; E326-V330 WeakPolarHBondContact O-CG2 3.35Å; E326-V330 PolarHBondContact O-N 2.81Å; E326-V330 VanDerWaalsContact OE1-CG2 3.26Å; E326-V330 WeakPolarHBondContact OE1-CG2 3.48Å; E326-I503 WeakPolarHBondContact OE1-CG2 3.43Å
327	Y	87.3	Confident	86.3	Confident	25 Å²	25	56.4 Å²	56.4	10%	0.098	28%	0.281	C	S	.	.	H	α-helix	trans	-59.4	-46.1	175.3	165.4	-99.3	0	0	0	111.9	S275 R278 V279 A323 L324 L325 F329 V330 N331	S275-Y327 WeakPolarHBondContact CB-OH 3.5Å; R278-Y327 HydrophobicContact CB-CD2 3.63Å; R278-Y327 HydrophobicContact CB-CE2 3.83Å; R278-Y327 HydrophobicContact CB-CG 4.27Å; R278-Y327 HydrophobicContact CG-CD2 4.3Å; V279-Y327 HydrophobicContact CB-CE1 4.45Å; V279-Y327 HydrophobicContact CG2-CD1 3.96Å; V279-Y327 HydrophobicContact CG2-CE1 3.12Å; V279-Y327 HydrophobicContact CG2-CE2 4.41Å; V279-Y327 WeakPolarHBondContact CG2-OH 3.28Å; A323-Y327 PolarHBondContact O-N 3.42Å; L324-Y327 PolarHBondContact O-N 3.01Å; L325-Y327 VanDerWaalsContact C-N 3.32Å; L325-Y327 PolarHBondContact O-N 3.27Å; Y327-F329 PolarHBondContact O-N 3.4Å; Y327-V330 PolarHBondContact O-N 3.15Å; Y327-N331 HydrophobicContact CE1-CB 4.49Å; Y327-N331 HydrophobicContact CE2-CB 4.43Å; Y327-N331 VanDerWaalsContact O-CB 3.29Å; Y327-N331 WeakPolarHBondContact O-CB 3.47Å; Y327-N331 PolarHBondContact O-N 3.49Å
328	A	88.3	Confident	84.8	Confident	51 Å²	51	54.8 Å²	54.8	42%	0.421	28%	0.28	S	S	.	.	H	α-helix	trans	-60.2	-37.8	178.3	0	0	0	0	0	111.7	L324 L325 E326 Y332	L324-A328 PolarHBondContact O-N 3.31Å; L324-A328 VanDerWaalsContact O-N 3.08Å; L325-A328 PolarHBondContact O-N 3.28Å; E326-A328 PolarHBondContact O-N 3.13Å; A328-Y332 VanDerWaalsContact O-CB 3.31Å; A328-Y332 WeakPolarHBondContact O-CB 3.44Å; A328-Y332 PolarHBondContact O-N 2.82Å
329	F	87.5	Confident	83.2	Confident	114 Å²	114	54.4 Å²	54.4	50%	0.5	28%	0.279	S	S	.	.	H	α-helix	trans	-68.3	-45.4	176.7	-175.3	-105	0	0	0	112.4	L325 E326 Y327 N331 Y332 I333 I503	L325-F329 WeakPolarHBondContact O-CB 3.23Å; L325-F329 PolarHBondContact O-N 3.05Å; E326-F329 WeakPolarHBondContact O-CB 3.31Å; E326-F329 PolarHBondContact O-N 3.25Å; E326-F329 VanDerWaalsContact O-N 3.14Å; Y327-F329 PolarHBondContact O-N 3.4Å; F329-N331 VanDerWaalsContact C-N 3.33Å; F329-N331 PolarHBondContact O-N 2.72Å; F329-Y332 PolarHBondContact O-N 3.49Å; F329-I333 HydrophobicContact CD1-CD1 3.98Å; F329-I333 HydrophobicContact CE1-CD1 3.37Å; F329-I333 HydrophobicContact CE1-CG1 4.42Å; F329-I333 HydrophobicContact CE2-CD1 4.17Å; F329-I333 HydrophobicContact CZ-CD1 3.49Å; F329-I333 VanDerWaalsContact CZ-CD1 3.49Å; F329-I333 HydrophobicContact CZ-CG1 4.36Å; F329-I333 PolarHBondContact O-N 2.79Å; F329-I503 HydrophobicContact CD1-CD1 4.35Å; F329-I503 HydrophobicContact CE1-CD1 4.04Å
330	V	85.8	Confident	81.6	Confident	3 Å²	3	59 Å²	59	2%	0.018	30%	0.301	C	S	.	.	H	α-helix	trans	-57.1	-47.7	173.1	164.8	0	0	0	0	110.7	E326 Y327 Y332 I333 F334 V500 I503	E326-V330 WeakPolarHBondContact O-CG2 3.35Å; E326-V330 PolarHBondContact O-N 2.81Å; E326-V330 VanDerWaalsContact OE1-CG2 3.26Å; E326-V330 WeakPolarHBondContact OE1-CG2 3.48Å; Y327-V330 PolarHBondContact O-N 3.15Å; V330-Y332 PolarHBondContact O-N 2.96Å; V330-I333 PolarHBondContact O-N 2.96Å; V330-F334 WeakPolarHBondContact O-CB 3.45Å; V330-F334 PolarHBondContact O-N 3.18Å; V330-V500 HydrophobicContact CG1-CG1 3.55Å; V330-I503 HydrophobicContact CG2-CB 4.49Å; V330-I503 HydrophobicContact CG2-CG2 3.97Å
331	N	84.6	Confident	80	Confident	51 Å²	51	65 Å²	65	27%	0.273	32%	0.324	S	S	.	.	H	α-helix	trans	-63.1	-41	179.6	-162.1	45.9	0	0	0	111.9	Y327 F329 F334 F335	Y327-N331 HydrophobicContact CE1-CB 4.49Å; Y327-N331 HydrophobicContact CE2-CB 4.43Å; Y327-N331 VanDerWaalsContact O-CB 3.29Å; Y327-N331 WeakPolarHBondContact O-CB 3.47Å; Y327-N331 PolarHBondContact O-N 3.49Å; F329-N331 VanDerWaalsContact C-N 3.33Å; F329-N331 PolarHBondContact O-N 2.72Å; N331-F334 PolarHBondContact O-N 3.32Å; N331-F335 PolarHBondContact O-N 3.01Å; N331-F335 WeakPolarHBondContact OD1-CD2 3.46Å; N331-F335 WeakPolarHBondContact OD1-CE2 3.39Å
332	Y	84.8	Confident	78.5	Confident	150 Å²	150	67.7 Å²	67.7	59%	0.588	34%	0.337	S	S	*	.	I	π-helix	trans	-66.1	-42.2	177.4	177.7	-100.5	0	0	0	112.8	A328 F329 V330 G336 Q337	A328-Y332 VanDerWaalsContact O-CB 3.31Å; A328-Y332 WeakPolarHBondContact O-CB 3.44Å; A328-Y332 PolarHBondContact O-N 2.82Å; F329-Y332 PolarHBondContact O-N 3.49Å; V330-Y332 PolarHBondContact O-N 2.96Å; Y332-G336 WeakPolarHBondContact O-CA 3.49Å; Y332-G336 PolarHBondContact O-N 3.45Å; Y332-Q337 PolarHBondContact O-N 2.98Å
333	I	82	Confident	77.1	Confident	36 Å²	36	71.5 Å²	71.5	19%	0.185	35%	0.351	C	S	.	.	I	π-helix	trans	-64.7	-44.3	176	-71.1	179.6	0	0	0	110.3	F329 V330 Q337 G338 I503	F329-I333 HydrophobicContact CD1-CD1 3.98Å; F329-I333 HydrophobicContact CE1-CD1 3.37Å; F329-I333 HydrophobicContact CE1-CG1 4.42Å; F329-I333 HydrophobicContact CE2-CD1 4.17Å; F329-I333 HydrophobicContact CZ-CD1 3.49Å; F329-I333 VanDerWaalsContact CZ-CD1 3.49Å; F329-I333 HydrophobicContact CZ-CG1 4.36Å; F329-I333 PolarHBondContact O-N 2.79Å; V330-I333 PolarHBondContact O-N 2.96Å; I333-Q337 WeakPolarHBondContact O-CB 3.11Å; I333-Q337 PolarHBondContact O-N 3.24Å; I333-Q337 VanDerWaalsContact O-N 3.16Å; I333-G338 PolarHBondContact O-N 3.19Å; I333-I503 HydrophobicContact CD1-CD1 3.98Å
334	F	75.6	Confident	75.9	Confident	73 Å²	73	77.4 Å²	77.4	32%	0.32	38%	0.376	S	S	.	.	I	π-helix	trans	-66.8	-56.6	-177.9	-175.6	-100	0	0	0	112.5	Y272 V330 N331 G338	Y272-F334 HydrophobicContact CD2-CD2 4.27Å; Y272-F334 HydrophobicContact CD2-CE2 4.23Å; Y272-F334 HydrophobicContact CD2-CZ 4.48Å; Y272-F334 AromaticContact CE2-CD2 3.94Å; Y272-F334 HydrophobicContact CE2-CD2 3.94Å; Y272-F334 HydrophobicContact CE2-CE1 4.49Å; Y272-F334 AromaticContact CE2-CE2 3.51Å; Y272-F334 HydrophobicContact CE2-CE2 3.51Å; Y272-F334 AromaticContact CE2-CZ 3.83Å; Y272-F334 HydrophobicContact CE2-CZ 3.83Å; V330-F334 WeakPolarHBondContact O-CB 3.45Å; V330-F334 PolarHBondContact O-N 3.18Å; N331-F334 PolarHBondContact O-N 3.32Å; F334-G338 VanDerWaalsContact O-CA 3.22Å; F334-G338 WeakPolarHBondContact O-CA 3.44Å; F334-G338 PolarHBondContact O-N 3.39Å; F334-G338 VanDerWaalsContact O-N 3.13Å
335	F	73.6	Confident	74.7	Confident	124 Å²	124	77.7 Å²	77.7	54%	0.544	39%	0.385	S	S	.	.	I	π-helix	trans	-84.6	-30.2	-177	-70.1	-76.4	0	0	0	113.9	N331 P339	N331-F335 PolarHBondContact O-N 3.01Å; N331-F335 WeakPolarHBondContact OD1-CD2 3.46Å; N331-F335 WeakPolarHBondContact OD1-CE2 3.39Å; F335-P339 WeakPolarHBondContact O-CD 3.44Å; F335-P339 VanDerWaalsContact O-CG 3.29Å; F335-P339 WeakPolarHBondContact O-CG 3.35Å
336	G	67.1	Low	73.6	Confident	32 Å²	32	76.8 Å²	76.8	33%	0.33	39%	0.389	S	S	.	.	I	π-helix	trans	-82.8	-45.3	-178.6	0	0	0	0	0	113.2	Y332	Y332-G336 WeakPolarHBondContact O-CA 3.49Å; Y332-G336 PolarHBondContact O-N 3.45Å
337	Q	64.1	Low	72.7	Confident	63 Å²	63	82.4 Å²	82.4	29%	0.294	42%	0.415	S	S	.	.	I	π-helix	trans	-97.7	-22.4	-179.6	-60.3	-164.8	9.6	0	0	114	Y332 I333 Q340 R341	Y332-Q337 PolarHBondContact O-N 2.98Å; I333-Q337 WeakPolarHBondContact O-CB 3.11Å; I333-Q337 PolarHBondContact O-N 3.24Å; I333-Q337 VanDerWaalsContact O-N 3.16Å; Q337-Q340 PolarHBondContact O-N 3.38Å; Q337-R341 VanDerWaalsContact O-CB 3.28Å; Q337-R341 WeakPolarHBondContact O-CB 3.49Å; Q337-R341 VanDerWaalsContact O-CG 3.24Å; Q337-R341 WeakPolarHBondContact O-CG 3.36Å; Q337-R341 PolarHBondContact O-N 2.88Å; Q337-R341 VanDerWaalsContact OE1-CZ 3.32Å
338	G	64.1	Low	72	Confident	21 Å²	21	87.5 Å²	87.5	22%	0.216	44%	0.438	C	S	.	.	H	α-helix	trans	-56.7	-56.6	177.9	0	0	0	0	0	113.6	I333 F334 Q340 R341 Q342	I333-G338 PolarHBondContact O-N 3.19Å; F334-G338 VanDerWaalsContact O-CA 3.22Å; F334-G338 WeakPolarHBondContact O-CA 3.44Å; F334-G338 PolarHBondContact O-N 3.39Å; F334-G338 VanDerWaalsContact O-N 3.13Å; G338-Q340 VanDerWaalsContact C-N 3.34Å; G338-Q340 PolarHBondContact O-N 3.31Å; G338-R341 PolarHBondContact O-N 3.29Å; G338-Q342 WeakPolarHBondContact O-CB 3.49Å; G338-Q342 WeakPolarHBondContact O-CG 3.48Å; G338-Q342 PolarHBondContact O-N 3.46Å
339	P	62.7	Low	71.1	Confident	62 Å²	62	87.8 Å²	87.8	40%	0.403	44%	0.44	S	S	.	.	H	α-helix	trans	-64.7	-35.4	-178.9	-21.4	32.2	0	0	0	113.1	F335 K343	F335-P339 WeakPolarHBondContact O-CD 3.44Å; F335-P339 VanDerWaalsContact O-CG 3.29Å; F335-P339 WeakPolarHBondContact O-CG 3.35Å; P339-K343 WeakPolarHBondContact O-CB 3.47Å; P339-K343 VanDerWaalsContact O-CG 3.3Å; P339-K343 WeakPolarHBondContact O-CG 3.27Å; P339-K343 PolarHBondContact O-N 3.14Å
340	Q	60.9	Low	70.2	Confident	123 Å²	123	85.3 Å²	85.3	58%	0.575	44%	0.441	S	S	*	.	H	α-helix	trans	-69.8	-37.4	176.7	-70.8	-165.7	0.4	0	0	112.3	Q337 G338 K344	Q337-Q340 PolarHBondContact O-N 3.38Å; G338-Q340 VanDerWaalsContact C-N 3.34Å; G338-Q340 PolarHBondContact O-N 3.31Å; Q340-K344 WeakPolarHBondContact O-CG 3.43Å; Q340-K344 PolarHBondContact O-N 2.98Å; Q340-K344 VanDerWaalsContact O-N 3.11Å
341	R	59.4	Low	69.5	Low	127 Å²	127	89.2 Å²	89.2	48%	0.479	47%	0.465	S	S	.	.	H	α-helix	trans	-74.6	-37.4	177.3	-72.9	178	-179.1	-161.3	3.3	111.7	Q337 G338 K344 A345	Q337-R341 VanDerWaalsContact O-CB 3.28Å; Q337-R341 WeakPolarHBondContact O-CB 3.49Å; Q337-R341 VanDerWaalsContact O-CG 3.24Å; Q337-R341 WeakPolarHBondContact O-CG 3.36Å; Q337-R341 PolarHBondContact O-N 2.88Å; Q337-R341 VanDerWaalsContact OE1-CZ 3.32Å; G338-R341 PolarHBondContact O-N 3.29Å; R341-K344 PolarHBondContact O-N 3.29Å; R341-A345 WeakPolarHBondContact O-CB 3.49Å; R341-A345 PolarHBondContact O-N 3.22Å
342	Q	62.3	Low	68.6	Low	146 Å²	146	89.5 Å²	89.5	68%	0.682	47%	0.474	S	S	*	.	H	α-helix	trans	-62.6	-44.2	171.9	-74.5	-179.8	0.2	0	0	111.8	G338 K344 A345 A346	G338-Q342 WeakPolarHBondContact O-CB 3.49Å; G338-Q342 WeakPolarHBondContact O-CG 3.48Å; G338-Q342 PolarHBondContact O-N 3.46Å; Q342-K344 PolarHBondContact O-N 2.86Å; Q342-A345 PolarHBondContact O-N 3.08Å; Q342-A346 WeakPolarHBondContact O-CB 3.5Å; Q342-A346 PolarHBondContact O-N 3.34Å
343	K	65.3	Low	67.4	Low	156 Å²	156	88 Å²	88	68%	0.678	48%	0.476	S	S	*	.	H	α-helix	trans	-58.6	-45.9	173.1	-77.1	179	179.5	-176.5	0	112	P339 A345 A346 E347	P339-K343 WeakPolarHBondContact O-CB 3.47Å; P339-K343 VanDerWaalsContact O-CG 3.3Å; P339-K343 WeakPolarHBondContact O-CG 3.27Å; P339-K343 PolarHBondContact O-N 3.14Å; K343-A345 PolarHBondContact O-N 3.5Å; K343-A346 PolarHBondContact O-N 3.33Å; K343-E347 VanDerWaalsContact O-CB 3.31Å; K343-E347 WeakPolarHBondContact O-CB 3.4Å; K343-E347 PolarHBondContact O-N 3.44Å
344	K	66.5	Low	66.4	Low	127 Å²	127	91.6 Å²	91.6	55%	0.552	50%	0.496	S	S	*	.	H	α-helix	trans	-66.6	-31.9	177	-74.9	176.2	179.5	175.9	0	113.5	Q340 R341 Q342 K348	Q340-K344 WeakPolarHBondContact O-CG 3.43Å; Q340-K344 PolarHBondContact O-N 2.98Å; Q340-K344 VanDerWaalsContact O-N 3.11Å; R341-K344 PolarHBondContact O-N 3.29Å; Q342-K344 PolarHBondContact O-N 2.86Å; K344-K348 WeakPolarHBondContact O-CB 3.17Å; K344-K348 VanDerWaalsContact O-CG 3.26Å; K344-K348 WeakPolarHBondContact O-CG 3.45Å; K344-K348 PolarHBondContact O-N 3.41Å
345	A	65.6	Low	65.6	Low	51 Å²	51	93.3 Å²	93.3	42%	0.421	51%	0.505	S	S	.	.	H	α-helix	trans	-74.7	-42	176	0	0	0	0	0	111.8	R341 Q342 K343 K348 A349	R341-A345 WeakPolarHBondContact O-CB 3.49Å; R341-A345 PolarHBondContact O-N 3.22Å; Q342-A345 PolarHBondContact O-N 3.08Å; K343-A345 PolarHBondContact O-N 3.5Å; A345-K348 PolarHBondContact O-N 2.94Å; A345-A349 WeakPolarHBondContact O-CB 3.37Å; A345-A349 PolarHBondContact O-N 2.89Å
346	A	67.8	Low	64.6	Low	63 Å²	63	96.2 Å²	96.2	52%	0.521	52%	0.517	S	S	.	.	H	α-helix	trans	-63.2	-40.3	174.2	0	0	0	0	0	111.8	Q342 K343 A349 A350	Q342-A346 WeakPolarHBondContact O-CB 3.5Å; Q342-A346 PolarHBondContact O-N 3.34Å; K343-A346 PolarHBondContact O-N 3.33Å; A346-A349 PolarHBondContact O-N 2.94Å; A346-A350 WeakPolarHBondContact O-CB 3.42Å; A346-A350 PolarHBondContact O-N 3.25Å
347	E	71.4	Confident	63.9	Low	133 Å²	133	101.4 Å²	101.4	62%	0.621	54%	0.537	S	S	*	.	H	α-helix	trans	-65.7	-37.2	176	-166.7	176.9	-173.8	0	0	112.3	K343 T351	K343-E347 VanDerWaalsContact O-CB 3.31Å; K343-E347 WeakPolarHBondContact O-CB 3.4Å; K343-E347 PolarHBondContact O-N 3.44Å; E347-T351 PolarHBondContact O-N 3.48Å; E347-T351 PolarHBondContact O-OG1 3.48Å
348	K	72	Confident	63.1	Low	131 Å²	131	107.9 Å²	107.9	57%	0.57	56%	0.558	S	S	*	*	H	α-helix	trans	-69.2	-37	172.6	-75.8	176.8	-178.3	-176.3	0	113	K344 A345 T351 A352	K344-K348 WeakPolarHBondContact O-CB 3.17Å; K344-K348 VanDerWaalsContact O-CG 3.26Å; K344-K348 WeakPolarHBondContact O-CG 3.45Å; K344-K348 PolarHBondContact O-N 3.41Å; A345-K348 PolarHBondContact O-N 2.94Å; K348-T351 VanDerWaalsContact CA-OG1 3.31Å; K348-T351 WeakPolarHBondContact CA-OG1 3.38Å; K348-T351 PolarHBondContact O-OG1 3.24Å; K348-T351 VanDerWaalsContact O-OG1 3.08Å; K348-A352 WeakPolarHBondContact O-CB 3.22Å; K348-A352 PolarHBondContact O-N 3.02Å
349	A	69.6	Low	62.4	Low	57 Å²	57	112.6 Å²	112.6	47%	0.471	59%	0.585	S	S	.	*	H	α-helix	trans	-69.7	-39.7	174.9	0	0	0	0	0	111.8	A345 A346 A352 N353	A345-A349 WeakPolarHBondContact O-CB 3.37Å; A345-A349 PolarHBondContact O-N 2.89Å; A346-A349 PolarHBondContact O-N 2.94Å; A349-A352 PolarHBondContact O-N 2.99Å; A349-N353 PolarHBondContact O-N 3Å
350	A	69.9	Low	61.8	Low	62 Å²	62	116.1 Å²	116.1	51%	0.512	60%	0.601	S	S	.	*	H	α-helix	trans	-64.6	-41.9	175.5	0	0	0	0	0	112.1	A346 N353 N354	A346-A350 WeakPolarHBondContact O-CB 3.42Å; A346-A350 PolarHBondContact O-N 3.25Å; A350-N353 PolarHBondContact O-N 3.04Å; A350-N354 WeakPolarHBondContact O-CB 3.37Å; A350-N354 PolarHBondContact O-N 2.61Å
351	T	69.6	Low	61.3	Low	86 Å²	86	115.7 Å²	115.7	53%	0.528	61%	0.608	S	S	.	*	H	α-helix	trans	-68.7	-36.1	175.5	41.1	0	0	0	0	112.9	E347 K348 N354 E355	E347-T351 PolarHBondContact O-N 3.48Å; E347-T351 PolarHBondContact O-OG1 3.48Å; K348-T351 VanDerWaalsContact CA-OG1 3.31Å; K348-T351 WeakPolarHBondContact CA-OG1 3.38Å; K348-T351 PolarHBondContact O-OG1 3.24Å; K348-T351 VanDerWaalsContact O-OG1 3.08Å; T351-N354 PolarHBondContact O-N 2.81Å; T351-E355 PolarHBondContact O-N 3.08Å
352	A	65.8	Low	60.8	Low	56 Å²	56	117 Å²	117	46%	0.463	63%	0.625	S	S	.	*	H	α-helix	trans	-67.5	-37.1	173.4	0	0	0	0	0	113.2	K348 A349 E355 K356	K348-A352 WeakPolarHBondContact O-CB 3.22Å; K348-A352 PolarHBondContact O-N 3.02Å; A349-A352 PolarHBondContact O-N 2.99Å; A352-E355 PolarHBondContact O-N 2.82Å; A352-K356 PolarHBondContact O-N 2.62Å
353	N	60.8	Low	59.8	Low	119 Å²	119	118.8 Å²	118.8	64%	0.636	63%	0.631	S	S	*	*	H	α-helix	trans	-67.5	-36.5	172.9	-103.2	-10.3	0	0	0	112.1	A349 A350 K356 L357	A349-N353 PolarHBondContact O-N 3Å; A350-N353 PolarHBondContact O-N 3.04Å; N353-K356 PolarHBondContact O-N 3.04Å; N353-L357 PolarHBondContact O-N 3.33Å
354	N	60.3	Low	58.7	Low	111 Å²	111	122.2 Å²	122.2	59%	0.594	64%	0.639	S	S	*	*	H	α-helix	trans	-71.7	-29.6	177.6	-139	-25	0	0	0	112.3	A350 T351 L357	A350-N354 WeakPolarHBondContact O-CB 3.37Å; A350-N354 PolarHBondContact O-N 2.61Å; T351-N354 PolarHBondContact O-N 2.81Å; N354-L357 PolarHBondContact O-N 2.86Å
355	E	58.1	Low	57.6	Low	109 Å²	109	124.2 Å²	124.2	51%	0.509	66%	0.656	S	S	.	*	H	α-helix	trans	-72.7	-27.5	174.2	-163.7	155.6	-147.8	0	0	112.7	T351 A352 L357 R485	T351-E355 PolarHBondContact O-N 3.08Å; A352-E355 PolarHBondContact O-N 2.82Å; E355-L357 VanDerWaalsContact C-N 3.33Å; E355-R485 IonicContact OE1-CZ 3.55Å; E355-R485 IonicContact OE1-NH1 3.85Å; E355-R485 PolarHBondContact OE1-NH1 2.81Å; E355-R485 IonicContact OE1-NH2 3.94Å; E355-R485 PolarHBondContact OE1-NH2 2.92Å
356	K	53.9	Low	56.4	Low	186 Å²	186	128.7 Å²	128.7	81%	0.809	68%	0.677	S	S	*	*	H	α-helix	trans	-74.8	-17.7	168.8	-84	-177.2	176.4	179.9	0	114.1	A352 N353	A352-K356 PolarHBondContact O-N 2.62Å; N353-K356 PolarHBondContact O-N 3.04Å
357	L	52.1	Low	54.8	Low	140 Å²	140	128.5 Å²	128.5	73%	0.733	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.2	19.3	179.6	-154.2	82.5	0	0	0	112.8	N353 N354 E355 P359	N353-L357 PolarHBondContact O-N 3.33Å; N354-L357 PolarHBondContact O-N 2.86Å; E355-L357 VanDerWaalsContact C-N 3.33Å; L357-P359 WeakPolarHBondContact O-CD 3.15Å
358	R	48.1	Very low	52.8	Low	199 Å²	199	129.8 Å²	129.8	75%	0.751	69%	0.693	S	S	*	*			trans	-86.8	115.1	164.4	-76.5	-178.5	90.9	117.5	-1.3	108.6	D360	R358-D360 PolarHBondContact O-N 3.39Å
359	P	49	Very low	51	Low	121 Å²	121	129.9 Å²	129.9	79%	0.786	70%	0.704	S	S	*	*			trans	-66.8	125.9	169.1	26.6	-31	0	0	0	109.2	L357 P361	L357-P359 WeakPolarHBondContact O-CD 3.15Å; P359-P361 WeakPolarHBondContact O-CD 3.48Å
360	D	48.5	Very low	49.6	Very low	136 Å²	136	133.2 Å²	133.2	73%	0.727	72%	0.718	S	S	*	*			trans	-63.2	123.5	173.8	-79	-37.2	0	0	0	110.2	R358 N362	R358-D360 PolarHBondContact O-N 3.39Å; D360-N362 PolarHBondContact O-N 3.39Å
361	P	50.9	Low	47.8	Very low	113 Å²	113	139 Å²	139	73%	0.734	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	0.5	-177.3	28.6	-32.9	0	0	0	114.4	P359	P359-P361 WeakPolarHBondContact O-CD 3.48Å
362	N	48.4	Very low	46.3	Very low	156 Å²	156	144.9 Å²	144.9	83%	0.834	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.7	21	-171	-73.5	0.5	0	0	0	115.2	D360	D360-N362 PolarHBondContact O-N 3.39Å
363	K	43	Very low	45.1	Very low	183 Å²	183	148 Å²	148	80%	0.796	76%	0.756	S	S	*	*			trans	-102.3	38.7	177.9	-144.8	179	-176.2	-177.3	0	114
364	W	42	Very low	44.2	Very low	227 Å²	227	149.6 Å²	149.6	86%	0.86	76%	0.764	S	S	*	*			trans	-127.6	30.8	-175.4	-77.9	106.4	0	0	0	116.3
365	L	43.5	Very low	43.6	Very low	170 Å²	170	148.3 Å²	148.3	89%	0.89	77%	0.769	S	S	*	*			trans	-153.1	89	164.5	-93.1	122.3	0	0	0	111.3
366	V	38.7	Very low	43.1	Very low	145 Å²	145	149 Å²	149	88%	0.879	78%	0.776	S	S	*	*				-158.9	115.4	121.1	-179.5	0	0	0	0	105.4
367	G	34.4	Very low	42.7	Very low	59 Å²	59	149.9 Å²	149.9	61%	0.608	78%	0.775	S	S	*	*			trans	-74.1	136.2	171.1	0	0	0	0	0	110.6
368	N	30.2	Very low	42.3	Very low	160 Å²	160	146.5 Å²	146.5	86%	0.856	77%	0.768	S	S	*	*				-178	149.7	116.5	-90.9	-20.4	0	0	0	112.1
369	V	33.8	Very low	42.2	Very low	133 Å²	133	147.2 Å²	147.2	81%	0.806	77%	0.77	S	S	*	*			trans	82.9	110.2	168.1	-167.5	0	0	0	0	116.8	Q371	V369-Q371 PolarHBondContact O-N 3.33Å
370	V	40.7	Very low	42	Very low	127 Å²	127	147.8 Å²	147.8	77%	0.77	76%	0.764	S	S	*	*			trans	-44.4	122.6	162	172.6	0	0	0	0	111.5
371	Q	32.6	Very low	41.5	Very low	184 Å²	184	148.2 Å²	148.2	86%	0.86	76%	0.759	S	S	*	*			trans	-143.7	101.6	147.4	-155.3	112.7	17.4	0	0	107.8	V369	V369-Q371 PolarHBondContact O-N 3.33Å
372	R	37.2	Very low	41.1	Very low	209 Å²	209	148.6 Å²	148.6	79%	0.789	75%	0.752	S	S	*	*			trans	-73	136.9	174.1	-107.7	-176.2	176.6	137.7	-2.7	109.9
373	D	41.7	Very low	40.7	Very low	120 Å²	120	151.5 Å²	151.5	64%	0.642	75%	0.751	S	S	*	*			trans	61.9	87.7	139.3	-51.1	-29.6	0	0	0	120.8
374	D	41.9	Very low	40.5	Very low	153 Å²	153	149.9 Å²	149.9	82%	0.818	75%	0.746	S	S	*	*	S	Bend	trans	-131.9	3.9	161.4	-83.6	-31.5	0	0	0	115.4
375	A	47.2	Very low	40.6	Very low	84 Å²	84	143.9 Å²	143.9	69%	0.694	73%	0.73	S	S	*	*	S	Bend	trans	-101.4	-12	179.9	0	0	0	0	0	114.4
376	L	47.7	Very low	40.4	Very low	124 Å²	124	142 Å²	142	65%	0.649	72%	0.721	S	S	*	*	S	Bend	trans	-87.5	-27.8	-178.5	-142.5	104.6	0	0	0	112.5	M380	L376-M380 HydrophobicContact CD2-CE 4.35Å
377	Y	44.2	Very low	40.7	Very low	205 Å²	205	138.4 Å²	138.4	80%	0.804	71%	0.706	S	S	*	*	H	α-helix	trans	-72.4	-28.5	178	-114.5	-91.4	0	0	0	113.3	K381	Y377-K381 PolarHBondContact O-N 3Å
378	A	44.5	Very low	41.1	Very low	69 Å²	69	145.4 Å²	145.4	57%	0.57	72%	0.715	S	S	*	*	H	α-helix	trans	-76.1	-27	178	0	0	0	0	0	113.3
379	R	45.9	Very low	41.4	Very low	213 Å²	213	145.1 Å²	145.1	80%	0.804	71%	0.714	S	S	*	*	H	α-helix	trans	-83.2	-24.6	177.8	-94.1	-172.4	-174.6	171.5	3.3	114.1
380	M	44.2	Very low	41.9	Very low	134 Å²	134	144.1 Å²	144.1	66%	0.66	71%	0.713	S	S	*	*	H	α-helix	trans	-78.2	-34	173.2	-78.4	-176.9	-178.7	0	0	111.9	L376 Q382 R383	L376-M380 HydrophobicContact CD2-CE 4.35Å; M380-Q382 PolarHBondContact O-N 2.99Å; M380-R383 PolarHBondContact O-N 3.38Å
381	K	39.5	Very low	41.7	Very low	144 Å²	144	144.3 Å²	144.3	63%	0.626	71%	0.707	S	S	*	*	H	α-helix	trans	-73.5	-21.5	-179.9	-157	171.7	-176.4	-180	0	114.7	Y377 I385	Y377-K381 PolarHBondContact O-N 3Å; K381-I385 WeakPolarHBondContact O-CD1 3.44Å; K381-I385 WeakPolarHBondContact O-CG1 3.26Å
382	Q	41.8	Very low	41.9	Very low	122 Å²	122	146 Å²	146	57%	0.57	71%	0.705	S	S	*	*	H	α-helix	trans	-79.3	-26.3	174.2	-153.4	73.5	26.1	0	0	112.6	M380 E384	M380-Q382 PolarHBondContact O-N 2.99Å; Q382-E384 VanDerWaalsContact C-N 3.31Å
383	R	39.9	Very low	41.9	Very low	217 Å²	217	143.2 Å²	143.2	82%	0.819	71%	0.706	S	S	*	*	H	α-helix	trans	-80.1	-11	175.6	-87.1	-172.4	-177.8	-178.3	0.3	114	M380	M380-R383 PolarHBondContact O-N 3.38Å
384	E	38.4	Very low	41.5	Very low	148 Å²	148	143.4 Å²	143.4	69%	0.692	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	-11.5	176.5	-150	171.1	-160.2	0	0	112.3	Q382	Q382-E384 VanDerWaalsContact C-N 3.31Å
385	I	43.9	Very low	41.1	Very low	102 Å²	102	142.6 Å²	142.6	52%	0.523	71%	0.708	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.7	-22.5	177.3	-66.6	169	0	0	0	111.8	K381 A387	K381-I385 WeakPolarHBondContact O-CD1 3.44Å; K381-I385 WeakPolarHBondContact O-CG1 3.26Å; I385-A387 PolarHBondContact O-N 3.44Å
386	D	40.5	Very low	40.4	Very low	131 Å²	131	147.7 Å²	147.7	70%	0.701	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	9.8	174.5	-61	-24	0	0	0	113.2
387	A	44.6	Very low	39.6	Very low	68 Å²	68	147 Å²	147	56%	0.562	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.9	7.7	-179.5	0	0	0	0	0	114.1	I385	I385-A387 PolarHBondContact O-N 3.44Å
388	Y	42.1	Very low	39.1	Very low	207 Å²	207	143.8 Å²	143.8	81%	0.812	71%	0.712	S	S	*	*	S	Bend	trans	-129.9	17.8	179.1	-115.3	-81.2	0	0	0	114.9
389	D	36.4	Very low	38.6	Very low	154 Å²	154	147.8 Å²	147.8	82%	0.824	72%	0.724	S	S	*	*			trans	-119.3	28.1	177.2	-142.7	22.9	0	0	0	112.9
390	S	45.2	Very low	37.9	Very low	111 Å²	111	142 Å²	142	78%	0.776	72%	0.722	S	S	*	*	S	Bend	trans	-111.8	61	159.3	68.3	0	0	0	0	109.7
391	M	36.7	Very low	37.3	Very low	132 Å²	132	140 Å²	140	65%	0.65	73%	0.727	S	S	*	*	S	Bend	trans	-161.4	127.3	160.2	-149.7	149.8	66.4	0	0	108.9
392	W	37	Very low	37	Very low	219 Å²	219	141.8 Å²	141.8	83%	0.83	74%	0.742	S	S	*	*			trans	100.1	74.6	-179	-48.1	112.7	0	0	0	116.1
393	D	36.1	Very low	36.4	Very low	150 Å²	150	138.9 Å²	138.9	80%	0.802	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-57.4	155	146.8	-81	-42.6	0	0	0	111.7
394	P	34.2	Very low	36	Very low	124 Å²	124	137.5 Å²	137.5	81%	0.805	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-71.9	135	174.1	27.8	-32	0	0	0	113
395	I	32.3	Very low	35.6	Very low	136 Å²	136	133.9 Å²	133.9	70%	0.697	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-81.6	123.1	171.1	-64.5	169.9	0	0	0	109.6
396	F	32.3	Very low	34.8	Very low	192 Å²	192	135.7 Å²	135.7	84%	0.842	77%	0.766	S	S	*	*			trans	-177.2	97.4	134.7	-91.7	-67.6	0	0	0	107.9
397	V	32.8	Very low	34.2	Very low	108 Å²	108	134.7 Å²	134.7	66%	0.655	76%	0.758	S	S	*	*				101.7	115.1	93.1	162.3	0	0	0	0	113.3
398	D	33.8	Very low	33.3	Very low	139 Å²	139	141 Å²	141	74%	0.743	77%	0.767	S	S	*	*			trans	46.6	138.4	145	-54.5	-20.6	0	0	0	120.9
399	D	32.4	Very low	32.6	Very low	152 Å²	152	138.5 Å²	138.5	81%	0.813	77%	0.767	S	S	*	*			cis	-162.5	151.1	35.9	-115	-30.6	0	0	0	113.5
400	A	31.6	Very low	32	Very low	91 Å²	91	140.4 Å²	140.4	75%	0.752	77%	0.768	S	S	*	*			trans	18	130.3	154.8	0	0	0	0	0	124.1
401	A	32.6	Very low	31	Very low	93 Å²	93	143 Å²	143	77%	0.769	77%	0.77	S	S	*	*				173.2	110	110.7	0	0	0	0	0	114.9
402	L	32.3	Very low	30.5	Very low	181 Å²	181	142.2 Å²	142.2	95%	0.948	77%	0.773	S	S	*	*			trans	39.5	115.9	135	-68.3	162.3	0	0	0	122.5
403	G	30.1	Very low	30.7	Very low	62 Å²	62	136.7 Å²	136.7	64%	0.639	77%	0.765	S	S	*	*				122	108.6	105.2	0	0	0	0	0	120.5
404	L	31.2	Very low	30.2	Very low	187 Å²	187	136.4 Å²	136.4	98%	0.979	76%	0.764	S	S	*	*			trans	68.8	129.9	142.2	-58.3	159.9	0	0	0	117.5
405	G	29.5	Very low	29.9	Very low	72 Å²	72	137.9 Å²	137.9	74%	0.742	77%	0.765	S	S	*	*			cis	123.9	91.8	31.9	0	0	0	0	0	107.5
406	D	28.1	Very low	29.9	Very low	141 Å²	141	138 Å²	138	75%	0.754	77%	0.767	S	S	*	*				108.3	149.1	102.7	-165.7	23.1	0	0	0	114.1
407	Q	27	Very low	29.9	Very low	110 Å²	110	137.2 Å²	137.2	51%	0.514	77%	0.77	S	S	.	*			trans	93.9	105.2	159.3	-60.5	-68.1	-63.3	0	0	122.1
408	R	25.7	Very low	29.8	Very low	201 Å²	201	139.7 Å²	139.7	76%	0.758	78%	0.779	S	S	*	*				86.7	130	119.6	-87	-175.8	-166.8	146.5	18	123.4
409	N	27.1	Very low	29.5	Very low	153 Å²	153	142.7 Å²	142.7	82%	0.818	79%	0.785	S	S	*	*			trans	92.8	140.2	134.4	-72.5	-7.2	0	0	0	121.9
410	K	24.9	Very low	29.4	Very low	194 Å²	194	141 Å²	141	84%	0.843	79%	0.785	S	S	*	*			trans	-83.3	151.9	-174.2	-84.9	174.7	166	175.4	0	114.1
411	M	24.2	Very low	29.3	Very low	165 Å²	165	141.2 Å²	141.2	81%	0.813	79%	0.787	S	S	*	*			trans	65.9	138.4	147.2	-112.5	87.6	-176.9	0	0	118.2
412	T	26.1	Very low	29.1	Very low	117 Å²	117	145.8 Å²	145.8	72%	0.718	80%	0.795	S	S	*	*			cis	-162.4	-166.9	13.3	40.4	0	0	0	0	107.2
413	P	41.4	Very low	29	Very low	103 Å²	103	146.1 Å²	146.1	67%	0.669	79%	0.792	S	S	*	*				-112.4	-171.5	-76.9	36.9	-17.5	0	0	0	111.4
414	D	25.3	Very low	28.9	Very low	144 Å²	144	152 Å²	152	77%	0.77	81%	0.805	S	S	*	*			trans	87	104.3	176.8	-53.7	-24.4	0	0	0	115.6
415	D	27.4	Very low	28.8	Very low	154 Å²	154	152.8 Å²	152.8	82%	0.824	80%	0.8	S	S	*	*				-170	153.1	106.8	-111.6	-31.7	0	0	0	113.8
416	N	32	Very low	29	Very low	139 Å²	139	157 Å²	157	74%	0.743	81%	0.805	S	S	*	*			trans	-63.8	144.4	-173.6	-60.3	-68.3	0	0	0	114.6
417	I	32	Very low	29	Very low	175 Å²	175	159.1 Å²	159.1	90%	0.897	81%	0.811	S	S	*	*			trans	-144.3	108	136.6	-57.9	-172.8	0	0	0	109.9
418	L	30.5	Very low	29.2	Very low	161 Å²	161	163.2 Å²	163.2	84%	0.843	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-97.9	141.9	161.6	-171.6	81.8	0	0	0	108.2
419	F	28.7	Very low	29.4	Very low	202 Å²	202	157.6 Å²	157.6	89%	0.886	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-55.4	130.9	177.8	-75.3	-91.7	0	0	0	113.6
420	S	30	Very low	29.3	Very low	116 Å²	116	154 Å²	154	81%	0.811	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-95.2	128.6	167.8	168.4	0	0	0	0	110.1
421	A	28.9	Very low	29.5	Very low	96 Å²	96	150.1 Å²	150.1	79%	0.793	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-82.3	138.8	168.3	0	0	0	0	0	109.8
422	M	28.5	Very low	29.7	Very low	189 Å²	189	146 Å²	146	93%	0.931	84%	0.84	S	S	*	*			trans	-111.2	114.7	176.7	-151.5	-173	-59	0	0	109.1
423	E	30.3	Very low	29.8	Very low	188 Å²	188	147.9 Å²	147.9	88%	0.879	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-84	142.3	169.2	-78.3	-179.7	147.9	0	0	110.9
424	M	29.4	Very low	29.3	Very low	185 Å²	185	150.9 Å²	150.9	91%	0.911	86%	0.855	S	S	*	*	P	Polyproline II helix	trans	-76	138	173.9	-77.7	-179.1	64.3	0	0	111.8
425	K	28.9	Very low	29.5	Very low	204 Å²	204	149 Å²	149	89%	0.887	85%	0.853	S	S	*	*	P	Polyproline II helix	trans	-97.1	123.1	175.3	-150.4	171	-176.4	179.3	0	108.8
426	N	32.2	Very low	29.7	Very low	159 Å²	159	153.2 Å²	153.2	85%	0.85	86%	0.858	S	S	*	*	P	Polyproline II helix	trans	-85.1	131.5	170.1	-98.8	-11.1	0	0	0	109.8
427	E	28.3	Very low	29.4	Very low	187 Å²	187	149.9 Å²	149.9	87%	0.874	86%	0.856	S	S	*	*	P	Polyproline II helix	trans	-98.3	124.1	164	-68.5	-173.2	158.4	0	0	109.2
428	M	31.5	Very low	29.3	Very low	196 Å²	196	150.4 Å²	150.4	97%	0.966	86%	0.86	S	S	*	*			trans	-157.8	110.5	154.3	-161	82	162.7	0	0	107.6
429	G	29.1	Very low	29.2	Very low	82 Å²	82	146.7 Å²	146.7	85%	0.845	86%	0.86	S	S	*	*			trans	-125.9	130.8	172.7	0	0	0	0	0	109.8
430	G	26.7	Very low	29.3	Very low	78 Å²	78	141.6 Å²	141.6	80%	0.804	86%	0.855	S	S	*	*			trans	150.8	103.6	158.7	0	0	0	0	0	116.8
431	A	27.7	Very low	30.2	Very low	113 Å²	113	141.3 Å²	141.3	93%	0.934	85%	0.85	S	S	*	*			trans	93.2	123.1	145.6	0	0	0	0	0	120.3
432	G	29.8	Very low	30.2	Very low	79 Å²	79	142.6 Å²	142.6	81%	0.814	85%	0.849	S	S	*	*			trans	126.4	105	136.1	0	0	0	0	0	116.6
433	D	27.4	Very low	30.3	Very low	156 Å²	156	140.7 Å²	140.7	83%	0.834	84%	0.842	S	S	*	*			trans	-46.6	151.1	169.2	-67.2	-57.1	0	0	0	115.3
434	L	30.6	Very low	30.9	Very low	165 Å²	165	136.9 Å²	136.9	86%	0.864	83%	0.834	S	S	*	*				163.5	119.8	115.6	-93.3	146.6	0	0	0	113.3
435	S	29.3	Very low	31	Very low	104 Å²	104	140.1 Å²	140.1	73%	0.727	84%	0.836	S	S	*	*			trans	81.1	138.2	132.2	-152.8	0	0	0	0	121.6
436	R	31.1	Very low	31.1	Very low	244 Å²	244	137.9 Å²	137.9	92%	0.921	83%	0.834	S	S	*	*			trans	77.8	123.1	167.8	-70.6	175.2	150	164.6	-6.6	116.5
437	G	27.5	Very low	31.2	Very low	68 Å²	68	137 Å²	137	70%	0.701	84%	0.835	S	S	*	*			cis	119.8	119.9	14.1	0	0	0	0	0	110.8
438	L	29.3	Very low	31.2	Very low	187 Å²	187	135.9 Å²	135.9	98%	0.979	83%	0.831	S	S	*	*			trans	85.6	124	154.3	-63	157.3	0	0	0	120
439	G	28.2	Very low	31.4	Very low	82 Å²	82	134.9 Å²	134.9	85%	0.845	83%	0.829	S	S	*	*			trans	133.1	90.6	139.4	0	0	0	0	0	116.7
440	A	31.2	Very low	31.4	Very low	95 Å²	95	134.8 Å²	134.8	79%	0.785	82%	0.82	S	S	*	*			trans	-86.5	-163	170.3	0	0	0	0	0	111.6
441	P	48.3	Very low	31.4	Very low	110 Å²	110	141.5 Å²	141.5	71%	0.714	82%	0.823	S	S	*	*				-130.2	-158.9	-84.6	39.5	-20.8	0	0	0	112.7
442	T	29.9	Very low	31.3	Very low	123 Å²	123	141.8 Å²	141.8	76%	0.755	81%	0.808	S	S	*	*			trans	97	134.7	169.7	72.5	0	0	0	0	115.5
443	D	30.4	Very low	31.3	Very low	149 Å²	149	142.6 Å²	142.6	80%	0.797	80%	0.802	S	S	*	*			cis	-162.8	160.4	9.1	-119.7	-8	0	0	0	109.8
444	P	43	Very low	31.4	Very low	109 Å²	109	140.2 Å²	140.2	71%	0.708	80%	0.797	S	S	*	*			trans	-108.3	139.7	179.6	36.2	-25.5	0	0	0	113.5
445	R	31.4	Very low	31.3	Very low	252 Å²	252	138.6 Å²	138.6	95%	0.951	79%	0.794	S	S	*	*			trans	-149.8	124.3	158.1	-91.6	-169.7	178.3	154.4	1.5	114.2
446	N	29.7	Very low	31.3	Very low	158 Å²	158	142.4 Å²	142.4	85%	0.845	81%	0.805	S	S	*	*			trans	-15	145.7	158.2	-78.3	-14.4	0	0	0	118.7
447	T	34	Very low	31.2	Very low	141 Å²	141	139.6 Å²	139.6	87%	0.865	80%	0.803	S	S	*	*				-165.2	131.6	95.4	-51.9	0	0	0	0	111.3
448	M	29.9	Very low	31.3	Very low	162 Å²	162	146 Å²	146	80%	0.798	81%	0.807	S	S	*	*			trans	-88.3	140.5	176.4	161.8	-169	176.7	0	0	110.3
449	L	33.8	Very low	31.3	Very low	176 Å²	176	149.1 Å²	149.1	92%	0.921	81%	0.806	S	S	*	*			trans	-153.9	133.6	145	-84.5	-173.6	0	0	0	110.8
450	A	29.2	Very low	31.2	Very low	79 Å²	79	155.6 Å²	155.6	65%	0.653	81%	0.805	S	S	*	*			trans	-123.7	144.2	174.7	0	0	0	0	0	108.9
451	Y	27.4	Very low	31.1	Very low	220 Å²	220	156 Å²	156	86%	0.863	81%	0.808	S	S	*	*			trans	170.5	146.6	158.8	-124	-109.1	0	0	0	107.1
452	D	25.9	Very low	30	Very low	118 Å²	118	154.9 Å²	154.9	63%	0.631	81%	0.808	S	S	*	*			cis	-168.7	163.7	-16.7	-174	14.7	0	0	0	107.1
453	S	28.8	Very low	29.9	Very low	97 Å²	97	158.3 Å²	158.3	68%	0.678	82%	0.818	S	S	*	*			trans	-92.3	150.3	-179.9	54.8	0	0	0	0	113.3
454	S	31.1	Very low	29.8	Very low	106 Å²	106	156.3 Å²	156.3	74%	0.741	82%	0.822	S	S	*	*			trans	-163.2	110.6	156.2	43.9	0	0	0	0	109.1
455	T	28.2	Very low	29.1	Very low	131 Å²	131	162.8 Å²	162.8	80%	0.804	83%	0.832	S	S	*	*				61.6	113.6	89.6	59.2	0	0	0	0	115.6
456	L	29.6	Very low	29	Very low	183 Å²	183	160.4 Å²	160.4	96%	0.958	83%	0.832	S	S	*	*			trans	-139.7	105.7	150.7	-99	167.4	0	0	0	109
457	Q	29.4	Very low	28.9	Very low	185 Å²	185	160 Å²	160	86%	0.864	83%	0.83	S	S	*	*			trans	-98.1	143.2	173.5	-84	-177.6	-24.5	0	0	111.3
458	Y	28.9	Very low	28.8	Very low	204 Å²	204	164.6 Å²	164.6	80%	0.8	83%	0.833	S	S	*	*			trans	4.2	132.7	144.3	-125.7	-99.9	0	0	0	118.9	R460	Y458-R460 HydrophobicContact CD1-CB 4.46Å; Y458-R460 HydrophobicContact CE1-CB 4.33Å
459	R	28.1	Very low	28.7	Very low	252 Å²	252	160.2 Å²	160.2	95%	0.951	83%	0.829	S	S	*	*			trans	-140.3	115.1	147.2	-142.8	179.4	-149.8	173.1	7.6	112.4
460	R	26.4	Very low	28.5	Very low	218 Å²	218	160.6 Å²	160.6	82%	0.823	83%	0.826	S	S	*	*			trans	-86.4	138.8	164.5	-161.2	-178.9	-164	172.6	4.1	107.2	Y458	Y458-R460 HydrophobicContact CD1-CB 4.46Å; Y458-R460 HydrophobicContact CE1-CB 4.33Å
461	A	29	Very low	28.3	Very low	103 Å²	103	161.8 Å²	161.8	85%	0.851	83%	0.829	S	S	*	*			trans	-129.8	133.6	166.1	0	0	0	0	0	109.1
462	A	25.9	Very low	28.4	Very low	87 Å²	87	155.5 Å²	155.5	72%	0.719	82%	0.823	S	S	*	*			trans	-118.9	142.5	178.7	0	0	0	0	0	109.9
463	M	27.5	Very low	28.8	Very low	194 Å²	194	157.1 Å²	157.1	96%	0.956	83%	0.831	S	S	*	*			trans	65.2	122.2	150.4	-64.3	-176.6	-175.9	0	0	121.5
464	A	29.4	Very low	28.8	Very low	107 Å²	107	160.7 Å²	160.7	88%	0.884	84%	0.837	S	S	*	*			trans	-145.2	138.4	131.3	0	0	0	0	0	110.3
465	R	28	Very low	28.7	Very low	245 Å²	245	165.8 Å²	165.8	93%	0.925	84%	0.84	S	S	*	*			trans	-74.4	150	-177.5	-77.7	169	158.3	158	-6.7	112.6
466	Q	29.4	Very low	28.9	Very low	202 Å²	202	168.3 Å²	168.3	94%	0.944	84%	0.842	S	S	*	*				-162.1	150.7	124.3	-108	179.8	2.8	0	0	111.8
467	N	27.3	Very low	28.9	Very low	151 Å²	151	163.7 Å²	163.7	81%	0.807	83%	0.831	S	S	*	*			trans	-103	174.7	-161.1	-111.8	-6	0	0	0	113.2
468	Y	31.3	Very low	28.8	Very low	237 Å²	237	163.2 Å²	163.2	93%	0.929	83%	0.828	S	S	*	*			trans	93.7	127.3	170	-64.9	-83.2	0	0	0	114.7
469	G	28.3	Very low	28.7	Very low	69 Å²	69	162.4 Å²	162.4	71%	0.711	83%	0.829	S	S	*	*			cis	173.9	157.9	-1.5	0	0	0	0	0	111.1
470	H	29.2	Very low	28.8	Very low	185 Å²	185	160.4 Å²	160.4	86%	0.856	83%	0.827	S	S	*	*			trans	59.7	115.7	154.4	-89.9	-79.1	0	0	0	125.2
471	S	26.3	Very low	29	Very low	103 Å²	103	155.6 Å²	155.6	72%	0.72	83%	0.827	S	S	*	*				71.2	126.5	128.1	65.5	0	0	0	0	124.9
472	A	28.3	Very low	29.2	Very low	89 Å²	89	162.2 Å²	162.2	74%	0.736	83%	0.83	S	S	*	*			trans	75.9	114.6	135	0	0	0	0	0	120.4
473	L	34.7	Very low	29.7	Very low	151 Å²	151	166.7 Å²	166.7	79%	0.791	84%	0.841	S	S	*	*				173.4	129	106.2	-101.5	152.6	0	0	0	112
474	E	28.4	Very low	30.2	Very low	173 Å²	173	169 Å²	169	81%	0.808	84%	0.839	S	S	*	*			trans	-60.3	140	159	-63.5	169.9	117.6	0	0	111.1
475	R	30.1	Very low	30.7	Very low	212 Å²	212	173.7 Å²	173.7	80%	0.8	83%	0.834	S	S	*	*				169.4	154.9	117.3	-94.4	177	-88.4	-163.2	-5.5	112.5
476	H	32.7	Very low	31.2	Very low	184 Å²	184	174.2 Å²	174.2	85%	0.852	84%	0.836	S	S	*	*			trans	106.5	95.8	166.3	-69.9	-74.5	0	0	0	118.2
477	A	28	Very low	31.4	Very low	87 Å²	87	169.6 Å²	169.6	72%	0.719	83%	0.832	S	S	*	*			trans	-70.2	173.9	167.8	0	0	0	0	0	114.2
478	Q	28.5	Very low	31.9	Very low	174 Å²	174	167.8 Å²	167.8	81%	0.813	83%	0.832	S	S	*	*			trans	81.1	104.8	147.9	-84	-176.8	-6.8	0	0	119.2
479	K	27	Very low	32.2	Very low	187 Å²	187	166 Å²	166	81%	0.813	83%	0.831	S	S	*	*				157.4	122.7	102.6	-97.7	170.1	178.5	174	0	112.2
480	K	28.6	Very low	32.6	Very low	211 Å²	211	170 Å²	170	92%	0.917	84%	0.836	S	S	*	*			trans	140.1	95.7	134.9	-80.4	179.8	178	178.6	0	112.8
481	S	31.8	Very low	32.7	Very low	117 Å²	117	170.2 Å²	170.2	82%	0.818	83%	0.834	S	S	*	*			trans	-152.3	90.5	151.8	59.1	0	0	0	0	110.2
482	R	33.2	Very low	33.3	Very low	241 Å²	241	169.4 Å²	169.4	91%	0.909	83%	0.825	S	S	*	*			trans	-148.7	108.9	166	-75.7	-167.3	177.6	178.1	-1	109.4
483	L	36.7	Very low	33.7	Very low	182 Å²	182	171.5 Å²	171.5	95%	0.953	82%	0.823	S	S	*	*				167.6	91.4	123.5	-99.6	139.8	0	0	0	110
484	R	38.2	Very low	34.1	Very low	241 Å²	241	170 Å²	170	91%	0.909	82%	0.815	S	S	*	*			trans	-151.6	114.2	156.1	-160	176.9	-173.2	-169.2	2.2	108.5
485	R	38.6	Very low	34.7	Very low	207 Å²	207	164.7 Å²	164.7	78%	0.781	80%	0.796	S	S	*	*			trans	155.7	96.2	146.7	-87.7	167.4	170.6	-145.3	-13.3	110.7	E355	E355-R485 IonicContact OE1-CZ 3.55Å; E355-R485 IonicContact OE1-NH1 3.85Å; E355-R485 PolarHBondContact OE1-NH1 2.81Å; E355-R485 IonicContact OE1-NH2 3.94Å; E355-R485 PolarHBondContact OE1-NH2 2.92Å
486	R	38.6	Very low	35.4	Very low	256 Å²	256	160.3 Å²	160.3	97%	0.966	79%	0.788	S	S	*	*			trans	-143.6	96.9	144.2	-88.4	-168.4	175.5	177.7	-1.5	107
487	A	34.8	Very low	36.3	Very low	105 Å²	105	156.9 Å²	156.9	87%	0.868	78%	0.775	S	S	*	*			trans	-160.6	73	164.9	0	0	0	0	0	107.3
488	S	37.8	Very low	37.6	Very low	113 Å²	113	155.5 Å²	155.5	79%	0.79	76%	0.76	S	S	*	*			trans	-122.3	84.8	170.2	56.7	0	0	0	0	107.3
489	Q	37.5	Very low	39.1	Very low	198 Å²	198	150.8 Å²	150.8	93%	0.925	74%	0.741	S	S	*	*			trans	175.7	78.7	154.1	-98.4	-179.6	32.5	0	0	107.2
490	L	36.5	Very low	40.9	Very low	155 Å²	155	142.4 Å²	142.4	81%	0.812	71%	0.706	S	S	*	*			trans	-123	86.9	164.1	-131.4	150.6	0	0	0	105.4	V492	L490-V492 VanDerWaalsContact C-N 3.31Å; L490-V492 PolarHBondContact O-N 3.18Å
491	K	31.1	Very low	42.8	Very low	189 Å²	189	136.7 Å²	136.7	82%	0.822	69%	0.685	S	S	*	*			trans	-62.3	98.8	167	-169.6	172.6	-177.1	-180	0	105.5	N493	K491-N493 VanDerWaalsContact C-N 3.34Å; K491-N493 PolarHBondContact O-N 2.98Å
492	V	39.2	Very low	44.8	Very low	85 Å²	85	133.5 Å²	133.5	52%	0.515	66%	0.662	S	S	.	*			trans	-69.4	96.8	174.8	177	0	0	0	0	106.2	L490 I494	L490-V492 VanDerWaalsContact C-N 3.31Å; L490-V492 PolarHBondContact O-N 3.18Å; V492-I494 HydrophobicContact CG1-CG1 4.33Å; V492-I494 PolarHBondContact O-N 3.45Å
493	N	35	Very low	47.1	Very low	133 Å²	133	123.9 Å²	123.9	71%	0.711	63%	0.629	S	S	*	*			trans	-66.9	108.3	157.9	-85.8	0	0	0	0	106.1	K491 P495	K491-N493 VanDerWaalsContact C-N 3.34Å; K491-N493 PolarHBondContact O-N 2.98Å; N493-P495 VanDerWaalsContact O-CD 3.29Å; N493-P495 WeakPolarHBondContact O-CD 3.21Å
494	I	43.5	Very low	49.3	Very low	121 Å²	121	115.4 Å²	115.4	62%	0.621	58%	0.584	S	S	*	*			trans	-68.7	116.1	161.9	-57.3	164.2	0	0	0	104.6	V492 D496	V492-I494 HydrophobicContact CG1-CG1 4.33Å; V492-I494 PolarHBondContact O-N 3.45Å; I494-D496 HydrophobicContact CG2-CB 3.95Å; I494-D496 PolarHBondContact O-N 3.02Å
495	P	41.9	Very low	51.5	Low	61 Å²	61	111 Å²	111	40%	0.396	57%	0.572	S	S	.	*			trans	-73.9	93.2	161	30	-26.1	0	0	0	106.1	N493 D499	N493-P495 VanDerWaalsContact O-CD 3.29Å; N493-P495 WeakPolarHBondContact O-CD 3.21Å; P495-D499 VanDerWaalsContact CB-CG 3.5Å; P495-D499 WeakPolarHBondContact CB-OD2 3.48Å; P495-D499 WeakPolarHBondContact CG-OD2 3.37Å
496	D	43.8	Very low	53.7	Low	119 Å²	119	108.6 Å²	108.6	64%	0.636	56%	0.563	S	S	*	*			trans	-90.4	118.7	179.9	-163.3	17.5	0	0	0	107.4	I494 S498	I494-D496 HydrophobicContact CG2-CB 3.95Å; I494-D496 PolarHBondContact O-N 3.02Å; D496-S498 WeakPolarHBondContact O-CB 3.24Å; D496-S498 PolarHBondContact O-N 3.22Å; D496-S498 PolarHBondContact O-OG 3.45Å
497	L	52.1	Low	56	Low	112 Å²	112	97 Å²	97	59%	0.586	52%	0.521	S	S	*	.	S	Bend	trans	51.4	-14.1	177.2	-118	80.6	0	0	0	118.8	N501	L497-N501 PolarHBondContact O-N 2.92Å
498	S	55.1	Low	58.6	Low	58 Å²	58	95.6 Å²	95.6	41%	0.406	49%	0.493	S	S	.	.	H	α-helix	trans	-85.6	-29	-166.4	48.2	0	0	0	0	111.8	D496 S502	D496-S498 WeakPolarHBondContact O-CB 3.24Å; D496-S498 PolarHBondContact O-N 3.22Å; D496-S498 PolarHBondContact O-OG 3.45Å; S498-S502 WeakPolarHBondContact O-CA 3.4Å; S498-S502 WeakPolarHBondContact O-CB 3.11Å; S498-S502 PolarHBondContact O-N 2.88Å; S498-S502 PolarHBondContact O-OG 3.07Å
499	D	59.8	Low	61	Low	75 Å²	75	95.4 Å²	95.4	40%	0.401	48%	0.481	S	S	.	.	H	α-helix	trans	-68.2	-42.7	177.3	-79.4	-6.3	0	0	0	111.7	P495 S502 I503	P495-D499 VanDerWaalsContact CB-CG 3.5Å; P495-D499 WeakPolarHBondContact CB-OD2 3.48Å; P495-D499 WeakPolarHBondContact CG-OD2 3.37Å; D499-S502 WeakPolarHBondContact O-CB 3.31Å; D499-S502 PolarHBondContact O-N 2.98Å; D499-I503 WeakPolarHBondContact O-CG1 3.29Å; D499-I503 PolarHBondContact O-N 3.34Å
500	V	64.4	Low	63.6	Low	12 Å²	12	89.8 Å²	89.8	7%	0.073	46%	0.456	C	S	.	.	H	α-helix	trans	-68.9	-46.3	178.5	176	0	0	0	0	111	Y272 V330 S502 I503 D504	Y272-V500 HydrophobicContact CD1-CG1 3.99Å; Y272-V500 HydrophobicContact CG-CG1 4.1Å; V330-V500 HydrophobicContact CG1-CG1 3.55Å; V500-S502 PolarHBondContact O-N 3.3Å; V500-I503 PolarHBondContact O-N 3.05Å; V500-I503 VanDerWaalsContact O-N 3.13Å; V500-D504 PolarHBondContact O-N 3.41Å; V500-D504 VanDerWaalsContact O-N 3.12Å
501	N	69	Low	66.2	Low	91 Å²	91	83.8 Å²	83.8	49%	0.487	42%	0.424	S	S	.	.	H	α-helix	trans	-65.6	-26.4	174.7	-164.8	22	0	0	0	112	L497 K505	L497-N501 PolarHBondContact O-N 2.92Å; N501-K505 WeakPolarHBondContact O-CB 3.29Å; N501-K505 PolarHBondContact O-N 3.09Å
502	S	74.8	Confident	69.1	Low	49 Å²	49	76.7 Å²	76.7	34%	0.343	40%	0.397	S	S	.	.	H	α-helix	trans	-70.1	-39.8	172.4	-67	0	0	0	0	111.7	S498 D499 V500 K505 W506	S498-S502 WeakPolarHBondContact O-CA 3.4Å; S498-S502 WeakPolarHBondContact O-CB 3.11Å; S498-S502 PolarHBondContact O-N 2.88Å; S498-S502 PolarHBondContact O-OG 3.07Å; D499-S502 WeakPolarHBondContact O-CB 3.31Å; D499-S502 PolarHBondContact O-N 2.98Å; V500-S502 PolarHBondContact O-N 3.3Å; S502-K505 PolarHBondContact O-N 3.38Å; S502-W506 PolarHBondContact O-N 3.25Å
503	I	79.8	Confident	71.6	Confident	40 Å²	40	76.6 Å²	76.6	21%	0.205	40%	0.397	C	S	.	.	H	α-helix	trans	-60.8	-52.9	175.2	-65.6	162.2	0	0	0	109.8	E326 F329 V330 I333 D499 V500 K505 W506 S507	E326-I503 WeakPolarHBondContact OE1-CG2 3.43Å; F329-I503 HydrophobicContact CD1-CD1 4.35Å; F329-I503 HydrophobicContact CE1-CD1 4.04Å; V330-I503 HydrophobicContact CG2-CB 4.49Å; V330-I503 HydrophobicContact CG2-CG2 3.97Å; I333-I503 HydrophobicContact CD1-CD1 3.98Å; D499-I503 WeakPolarHBondContact O-CG1 3.29Å; D499-I503 PolarHBondContact O-N 3.34Å; V500-I503 PolarHBondContact O-N 3.05Å; V500-I503 VanDerWaalsContact O-N 3.13Å; I503-K505 PolarHBondContact O-N 3.49Å; I503-W506 PolarHBondContact O-N 3.15Å; I503-W506 VanDerWaalsContact O-N 3.14Å; I503-S507 WeakPolarHBondContact O-CB 3.43Å; I503-S507 PolarHBondContact O-N 3.24Å; I503-S507 PolarHBondContact O-OG 3.11Å; I503-S507 VanDerWaalsContact O-OG 3.05Å
504	D	83.1	Confident	74.4	Confident	3 Å²	3	73.4 Å²	73.4	2%	0.016	38%	0.382	C	S	.	.	H	α-helix	trans	-56.6	-40.2	176.3	-77.3	-41.6	0	0	0	110.9	R278 V500 S507 R508	R278-D504 IonicContact CZ-OD1 3.52Å; R278-D504 IonicContact CZ-OD2 3.72Å; R278-D504 IonicContact NH1-OD1 2.94Å; R278-D504 PolarHBondContact NH1-OD1 3.5Å; R278-D504 VanDerWaalsContact NH1-OD1 3.08Å; R278-D504 IonicContact NH1-OD2 3.08Å; R278-D504 IonicContact NH2-OD1 3.3Å; R278-D504 PolarHBondContact NH2-OD1 3.3Å; R278-D504 IonicContact NH2-OD2 3.48Å; R278-D504 PolarHBondContact NH2-OD2 2.7Å; V500-D504 PolarHBondContact O-N 3.41Å; V500-D504 VanDerWaalsContact O-N 3.12Å; D504-S507 PolarHBondContact O-N 2.87Å; D504-R508 WeakPolarHBondContact O-CG 3.29Å; D504-R508 PolarHBondContact O-N 2.93Å
505	K	84.2	Confident	76.9	Confident	149 Å²	149	68.2 Å²	68.2	65%	0.648	36%	0.355	S	S	*	.	H	α-helix	trans	-65.1	-40.3	178.2	-174.1	178.6	-178.2	-178.9	0	113.2	N501 S502 I503	N501-K505 WeakPolarHBondContact O-CB 3.29Å; N501-K505 PolarHBondContact O-N 3.09Å; S502-K505 PolarHBondContact O-N 3.38Å; I503-K505 PolarHBondContact O-N 3.49Å
506	W	85.3	Confident	79.3	Confident	156 Å²	156	68.7 Å²	68.7	59%	0.591	36%	0.36	S	S	*	.	H	α-helix	trans	-70.1	-42.1	174.8	-79.9	107.9	0	0	0	111.2	S502 I503 R508 M509 I510	S502-W506 PolarHBondContact O-N 3.25Å; I503-W506 PolarHBondContact O-N 3.15Å; I503-W506 VanDerWaalsContact O-N 3.14Å; W506-R508 VanDerWaalsContact C-N 3.3Å; W506-R508 PolarHBondContact O-N 3.23Å; W506-M509 HydrophobicContact CE3-CE 3.91Å; W506-M509 HydrophobicContact CZ3-CE 3.69Å; W506-M509 PolarHBondContact O-N 3.46Å; W506-I510 HydrophobicContact CB-CD1 4.19Å; W506-I510 HydrophobicContact CE3-CD1 4.18Å; W506-I510 WeakPolarHBondContact O-CG1 3.26Å; W506-I510 PolarHBondContact O-N 3.16Å
507	S	88.1	Confident	81.7	Confident	12 Å²	12	69.8 Å²	69.8	8%	0.084	36%	0.359	C	S	.	.	H	α-helix	trans	-58.1	-40.3	176.7	-62.2	0	0	0	0	112.1	I503 D504 M509 I510 F511	I503-S507 WeakPolarHBondContact O-CB 3.43Å; I503-S507 PolarHBondContact O-N 3.24Å; I503-S507 PolarHBondContact O-OG 3.11Å; I503-S507 VanDerWaalsContact O-OG 3.05Å; D504-S507 PolarHBondContact O-N 2.87Å; S507-M509 PolarHBondContact O-N 3.19Å; S507-M509 VanDerWaalsContact O-N 3.17Å; S507-I510 PolarHBondContact O-N 2.88Å; S507-F511 WeakPolarHBondContact O-CB 3.38Å; S507-F511 WeakPolarHBondContact O-CD2 3.37Å; S507-F511 PolarHBondContact O-N 3.34Å; S507-F511 VanDerWaalsContact O-N 3.09Å
508	R	89.3	Confident	83.8	Confident	77 Å²	77	66.8 Å²	66.8	29%	0.291	34%	0.342	S	S	.	.	H	α-helix	trans	-58.7	-26.3	175.6	-73.7	170.6	-159.6	-178.9	8.3	114.3	F268 D504 W506 P512	F268-R508 HydrophobicContact CB-CG 3.88Å; F268-R508 VanDerWaalsContact O-CZ 3.27Å; F268-R508 PolarHBondContact O-NE 3.24Å; F268-R508 PolarHBondContact O-NH2 3.5Å; D504-R508 WeakPolarHBondContact O-CG 3.29Å; D504-R508 PolarHBondContact O-N 2.93Å; W506-R508 VanDerWaalsContact C-N 3.3Å; W506-R508 PolarHBondContact O-N 3.23Å; R508-P512 VanDerWaalsContact O-CD 3.32Å; R508-P512 WeakPolarHBondContact O-CD 3.42Å; R508-P512 VanDerWaalsContact O-CG 3.31Å; R508-P512 WeakPolarHBondContact O-CG 3.41Å
509	M	88.1	Confident	85.6	Confident	108 Å²	108	65 Å²	65	53%	0.532	33%	0.328	S	S	.	.	H	α-helix	trans	-98.3	-41.7	179.1	-171.1	172.2	65	0	0	111.8	W506 S507 T513	W506-M509 HydrophobicContact CE3-CE 3.91Å; W506-M509 HydrophobicContact CZ3-CE 3.69Å; W506-M509 PolarHBondContact O-N 3.46Å; S507-M509 PolarHBondContact O-N 3.19Å; S507-M509 VanDerWaalsContact O-N 3.17Å; M509-T513 WeakPolarHBondContact O-CB 3.37Å; M509-T513 WeakPolarHBondContact O-CG2 3.48Å; M509-T513 PolarHBondContact O-N 3.37Å; M509-T513 PolarHBondContact O-OG1 2.94Å
510	I	90.8	Very high	87.3	Confident	80 Å²	80	65.1 Å²	65.1	41%	0.41	33%	0.331	S	S	.	.	H	α-helix	trans	-70.4	-45.6	-174.5	-66.3	169.7	0	0	0	111.4	W506 S507 T513 V514	W506-I510 HydrophobicContact CB-CD1 4.19Å; W506-I510 HydrophobicContact CE3-CD1 4.18Å; W506-I510 WeakPolarHBondContact O-CG1 3.26Å; W506-I510 PolarHBondContact O-N 3.16Å; S507-I510 PolarHBondContact O-N 2.88Å; I510-T513 WeakPolarHBondContact CA-OG1 3.28Å; I510-T513 PolarHBondContact O-N 3.13Å; I510-T513 PolarHBondContact O-OG1 3.3Å; I510-V514 HydrophobicContact CG2-CG2 3.95Å; I510-V514 WeakPolarHBondContact O-CB 3.29Å; I510-V514 VanDerWaalsContact O-CG2 3.23Å; I510-V514 WeakPolarHBondContact O-CG2 3.06Å; I510-V514 PolarHBondContact O-N 3.03Å
511	F	91.1	Very high	88.7	Confident	29 Å²	29	67.8 Å²	67.8	13%	0.127	35%	0.347	C	S	.	.	H	α-helix	trans	-63.1	-49.1	-176	-83.1	-102.8	0	0	0	112.7	W265 F268 L322 A323 S507 T513 F515	W265-F511 HydrophobicContact CE3-CB 4.32Å; F268-F511 HydrophobicContact CE2-CB 3.93Å; F268-F511 HydrophobicContact CE2-CD1 4.22Å; F268-F511 AromaticContact CE2-CD2 3.67Å; F268-F511 HydrophobicContact CE2-CD2 3.67Å; F268-F511 HydrophobicContact CE2-CE2 4.17Å; F268-F511 AromaticContact CE2-CG 3.69Å; F268-F511 HydrophobicContact CE2-CG 3.69Å; F268-F511 HydrophobicContact CZ-CD1 4.09Å; F268-F511 AromaticContact CZ-CD2 3.72Å; F268-F511 HydrophobicContact CZ-CD2 3.72Å; F268-F511 HydrophobicContact CZ-CE1 4.1Å; F268-F511 AromaticContact CZ-CE2 3.73Å; F268-F511 HydrophobicContact CZ-CE2 3.73Å; F268-F511 AromaticContact CZ-CG 3.9Å; F268-F511 HydrophobicContact CZ-CG 3.9Å; F268-F511 AromaticContact CZ-CZ 3.92Å; F268-F511 HydrophobicContact CZ-CZ 3.92Å; L322-F511 HydrophobicContact CB-CE1 3.88Å; L322-F511 HydrophobicContact CB-CZ 4.06Å; A323-F511 HydrophobicContact CB-CE1 4.18Å; S507-F511 WeakPolarHBondContact O-CB 3.38Å; S507-F511 WeakPolarHBondContact O-CD2 3.37Å; S507-F511 PolarHBondContact O-N 3.34Å; S507-F511 VanDerWaalsContact O-N 3.09Å; F511-T513 PolarHBondContact O-N 3.34Å; F511-F515 VanDerWaalsContact O-CB 3.24Å; F511-F515 WeakPolarHBondContact O-CB 3.36Å; F511-F515 PolarHBondContact O-N 3.03Å
512	P	91.9	Very high	89.9	Confident	41 Å²	41	64 Å²	64	27%	0.266	33%	0.326	S	S	.	.	H	α-helix	trans	-62.3	-40	175.4	-23	33.5	0	0	0	114.6	W265 R508 S516	W265-P512 HydrophobicContact CD2-CG 4.17Å; W265-P512 HydrophobicContact CE3-CB 4.22Å; W265-P512 HydrophobicContact CE3-CG 3.65Å; W265-P512 HydrophobicContact CH2-CB 3.78Å; W265-P512 HydrophobicContact CH2-CG 3.94Å; W265-P512 HydrophobicContact CZ2-CG 4.41Å; W265-P512 HydrophobicContact CZ3-CB 3.62Å; W265-P512 HydrophobicContact CZ3-CG 3.57Å; R508-P512 VanDerWaalsContact O-CD 3.32Å; R508-P512 WeakPolarHBondContact O-CD 3.42Å; R508-P512 VanDerWaalsContact O-CG 3.31Å; R508-P512 WeakPolarHBondContact O-CG 3.41Å; P512-S516 VanDerWaalsContact O-CB 3.23Å; P512-S516 WeakPolarHBondContact O-CB 3.39Å; P512-S516 PolarHBondContact O-N 3.08Å
513	T	92.1	Very high	90.7	Very high	82 Å²	82	64.8 Å²	64.8	50%	0.503	32%	0.322	S	S	.	.	H	α-helix	trans	-68	-45.8	-178.9	50.3	0	0	0	0	111.6	M509 I510 F511 S516 F517	M509-T513 WeakPolarHBondContact O-CB 3.37Å; M509-T513 WeakPolarHBondContact O-CG2 3.48Å; M509-T513 PolarHBondContact O-N 3.37Å; M509-T513 PolarHBondContact O-OG1 2.94Å; I510-T513 WeakPolarHBondContact CA-OG1 3.28Å; I510-T513 PolarHBondContact O-N 3.13Å; I510-T513 PolarHBondContact O-OG1 3.3Å; F511-T513 PolarHBondContact O-N 3.34Å; T513-S516 PolarHBondContact O-N 3.06Å; T513-F517 WeakPolarHBondContact O-CB 3.48Å; T513-F517 PolarHBondContact O-N 2.74Å
514	V	94.4	Very high	91.3	Very high	67 Å²	67	67.8 Å²	67.8	41%	0.406	34%	0.337	S	S	.	.	H	α-helix	trans	-68.1	-39.6	178.5	-179.8	0	0	0	0	111.2	F319 I510 F517 F518	F319-V514 HydrophobicContact CE1-CB 4.2Å; F319-V514 HydrophobicContact CE1-CG1 3.72Å; F319-V514 HydrophobicContact CZ-CG1 3.83Å; I510-V514 HydrophobicContact CG2-CG2 3.95Å; I510-V514 WeakPolarHBondContact O-CB 3.29Å; I510-V514 VanDerWaalsContact O-CG2 3.23Å; I510-V514 WeakPolarHBondContact O-CG2 3.06Å; I510-V514 PolarHBondContact O-N 3.03Å; V514-F517 PolarHBondContact O-N 3.02Å; V514-F518 WeakPolarHBondContact O-CB 3.22Å; V514-F518 PolarHBondContact O-N 3.36Å
515	F	94.8	Very high	91.8	Very high	11 Å²	11	74.7 Å²	74.7	5%	0.048	36%	0.364	C	S	.	.	H	α-helix	trans	-66.8	-39.7	176.6	-176.9	-110.8	0	0	0	112.4	I258 T261 W265 F319 F511 F518 N519	I258-F515 HydrophobicContact CG1-CE1 4.47Å; I258-F515 HydrophobicContact CG1-CZ 4.21Å; I258-F515 HydrophobicContact CG2-CE1 4.28Å; T261-F515 HydrophobicContact CG2-CD2 3.92Å; T261-F515 HydrophobicContact CG2-CE1 4.39Å; T261-F515 HydrophobicContact CG2-CE2 3.77Å; T261-F515 HydrophobicContact CG2-CG 4.29Å; T261-F515 HydrophobicContact CG2-CZ 4.02Å; W265-F515 HydrophobicContact CZ3-CD1 4.49Å; F319-F515 AromaticContact CD2-CD2 3.72Å; F319-F515 HydrophobicContact CD2-CD2 3.72Å; F319-F515 HydrophobicContact CD2-CE2 4.32Å; F319-F515 HydrophobicContact CE1-CB 4.4Å; F319-F515 AromaticContact CE2-CD2 3.88Å; F319-F515 HydrophobicContact CE2-CD2 3.88Å; F319-F515 HydrophobicContact CG-CD2 4.17Å; F319-F515 HydrophobicContact CZ-CB 4.48Å; F319-F515 HydrophobicContact CZ-CD2 4.43Å; F511-F515 VanDerWaalsContact O-CB 3.24Å; F511-F515 WeakPolarHBondContact O-CB 3.36Å; F511-F515 PolarHBondContact O-N 3.03Å; F515-F518 HydrophobicContact CD2-CD1 4.33Å; F515-F518 HydrophobicContact CE2-CD1 4.31Å; F515-F518 WeakPolarHBondContact O-CB 3.05Å; F515-F518 PolarHBondContact O-N 2.95Å; F515-N519 WeakPolarHBondContact CE1-ND2 2.99Å; F515-N519 WeakPolarHBondContact CE2-ND2 3.31Å; F515-N519 WeakPolarHBondContact CZ-ND2 3.36Å; F515-N519 PolarHBondContact O-N 3.02Å; F515-N519 PolarHBondContact O-ND2 3.4Å
516	S	93.3	Very high	92	Very high	72 Å²	72	69.4 Å²	69.4	50%	0.503	34%	0.34	S	S	.	.	H	α-helix	trans	-63.4	-44.4	174.6	-175.2	0	0	0	0	111.1	P512 T513 F518 N519 V520	P512-S516 VanDerWaalsContact O-CB 3.23Å; P512-S516 WeakPolarHBondContact O-CB 3.39Å; P512-S516 PolarHBondContact O-N 3.08Å; T513-S516 PolarHBondContact O-N 3.06Å; S516-F518 PolarHBondContact O-N 3.46Å; S516-N519 PolarHBondContact O-N 3.38Å; S516-V520 WeakPolarHBondContact O-CG2 3.3Å; S516-V520 PolarHBondContact O-N 2.96Å
517	F	95.1	Very high	91.9	Very high	141 Å²	141	65.8 Å²	65.8	62%	0.618	34%	0.336	S	S	*	.	H	α-helix	trans	-60	-44.9	174.2	179.7	-103.3	0	0	0	112.3	T513 V514 N519 V520 V521	T513-F517 WeakPolarHBondContact O-CB 3.48Å; T513-F517 PolarHBondContact O-N 2.74Å; V514-F517 PolarHBondContact O-N 3.02Å; F517-N519 VanDerWaalsContact C-N 3.33Å; F517-N519 PolarHBondContact O-N 3.3Å; F517-V520 PolarHBondContact O-N 2.86Å; F517-V521 HydrophobicContact CD1-CG2 4.23Å; F517-V521 HydrophobicContact CD2-CG2 4.31Å; F517-V521 HydrophobicContact CE1-CG2 3.8Å; F517-V521 HydrophobicContact CE2-CG2 3.88Å; F517-V521 HydrophobicContact CG-CG2 4.48Å; F517-V521 HydrophobicContact CZ-CG2 3.61Å; F517-V521 WeakPolarHBondContact O-CG2 3.42Å; F517-V521 PolarHBondContact O-N 3.3Å
518	F	95	Very high	91.2	Very high	49 Å²	49	73.4 Å²	73.4	22%	0.215	37%	0.37	C	S	.	.	H	α-helix	trans	-55.9	-45.9	174.6	168.6	-100.2	0	0	0	112	Y312 F319 V514 F515 S516 V521 Y522	Y312-F518 AromaticContact CD2-CE1 3.9Å; Y312-F518 HydrophobicContact CD2-CE1 3.9Å; Y312-F518 HydrophobicContact CD2-CZ 4.28Å; Y312-F518 AromaticContact CE2-CE1 3.97Å; Y312-F518 HydrophobicContact CE2-CE1 3.97Å; F319-F518 HydrophobicContact CE2-CB 4.1Å; F319-F518 HydrophobicContact CE2-CD1 4.13Å; F319-F518 HydrophobicContact CE2-CD2 4.49Å; F319-F518 AromaticContact CE2-CG 3.98Å; F319-F518 HydrophobicContact CE2-CG 3.98Å; F319-F518 HydrophobicContact CZ-CB 4.17Å; V514-F518 WeakPolarHBondContact O-CB 3.22Å; V514-F518 PolarHBondContact O-N 3.36Å; F515-F518 HydrophobicContact CD2-CD1 4.33Å; F515-F518 HydrophobicContact CE2-CD1 4.31Å; F515-F518 WeakPolarHBondContact O-CB 3.05Å; F515-F518 PolarHBondContact O-N 2.95Å; S516-F518 PolarHBondContact O-N 3.46Å; F518-V521 PolarHBondContact O-N 3.44Å; F518-Y522 VanDerWaalsContact O-CB 3.25Å; F518-Y522 WeakPolarHBondContact O-CB 3.48Å; F518-Y522 PolarHBondContact O-N 2.87Å
519	N	94.2	Very high	91.3	Very high	21 Å²	21	73.3 Å²	73.3	11%	0.112	37%	0.374	C	S	.	.	H	α-helix	trans	-62.7	-46.7	177.4	-84.7	-88.3	0	0	0	111.8	Y312 F515 S516 F517 V521 Y522 W523	Y312-N519 WeakPolarHBondContact CE2-OD1 3.31Å; Y312-N519 PolarHBondContact OH-OD1 3.33Å; Y312-N519 VanDerWaalsContact OH-OD1 3.12Å; F515-N519 WeakPolarHBondContact CE1-ND2 2.99Å; F515-N519 WeakPolarHBondContact CE2-ND2 3.31Å; F515-N519 WeakPolarHBondContact CZ-ND2 3.36Å; F515-N519 PolarHBondContact O-N 3.02Å; F515-N519 PolarHBondContact O-ND2 3.4Å; S516-N519 PolarHBondContact O-N 3.38Å; F517-N519 VanDerWaalsContact C-N 3.33Å; F517-N519 PolarHBondContact O-N 3.3Å; N519-V521 VanDerWaalsContact C-N 3.35Å; N519-V521 PolarHBondContact O-N 2.91Å; N519-Y522 PolarHBondContact O-N 3.18Å; N519-W523 PolarHBondContact O-N 3.02Å
520	V	93.9	Very high	91.4	Very high	77 Å²	77	71.4 Å²	71.4	47%	0.467	37%	0.365	S	S	.	.	H	α-helix	trans	-59.1	-47.7	178.8	171.1	0	0	0	0	110.8	S516 F517 Y522 L524	S516-V520 WeakPolarHBondContact O-CG2 3.3Å; S516-V520 PolarHBondContact O-N 2.96Å; F517-V520 PolarHBondContact O-N 2.86Å; V520-Y522 PolarHBondContact O-N 3.36Å; V520-L524 HydrophobicContact CG1-CD1 3.72Å; V520-L524 HydrophobicContact CG1-CG 4.38Å; V520-L524 VanDerWaalsContact O-CB 3.31Å; V520-L524 WeakPolarHBondContact O-CB 3.34Å; V520-L524 VanDerWaalsContact O-CG 3.23Å; V520-L524 WeakPolarHBondContact O-CG 3.37Å; V520-L524 PolarHBondContact O-N 3.44Å
521	V	94.8	Very high	91.5	Very high	69 Å²	69	70.9 Å²	70.9	42%	0.418	36%	0.363	S	S	.	.	H	α-helix	trans	-62.3	-44.1	177.5	172.6	0	0	0	0	111.2	F517 F518 N519 Y525	F517-V521 HydrophobicContact CD1-CG2 4.23Å; F517-V521 HydrophobicContact CD2-CG2 4.31Å; F517-V521 HydrophobicContact CE1-CG2 3.8Å; F517-V521 HydrophobicContact CE2-CG2 3.88Å; F517-V521 HydrophobicContact CG-CG2 4.48Å; F517-V521 HydrophobicContact CZ-CG2 3.61Å; F517-V521 WeakPolarHBondContact O-CG2 3.42Å; F517-V521 PolarHBondContact O-N 3.3Å; F518-V521 PolarHBondContact O-N 3.44Å; N519-V521 VanDerWaalsContact C-N 3.35Å; N519-V521 PolarHBondContact O-N 2.91Å; V521-Y525 VanDerWaalsContact O-CB 3.25Å; V521-Y525 WeakPolarHBondContact O-CB 3.38Å; V521-Y525 PolarHBondContact O-N 3.32Å
522	Y	93.9	Very high	91.5	Very high	11 Å²	11	73.4 Å²	73.4	4%	0.043	38%	0.377	C	S	.	.	H	α-helix	trans	-59.5	-52.7	179	176.9	-93	0	0	0	111.8	Y254 A308 Y312 F518 N519 V520 Y525 Y526	Y254-Y522 AromaticContact CE1-CE1 3.7Å; Y254-Y522 HydrophobicContact CE1-CE1 3.7Å; Y254-Y522 PolarHBondContact OH-OH 3.47Å; A308-Y522 PolarHBondContact O-OH 3.25Å; Y312-Y522 AromaticContact CD2-CD1 3.68Å; Y312-Y522 HydrophobicContact CD2-CD1 3.68Å; Y312-Y522 AromaticContact CD2-CD2 3.96Å; Y312-Y522 HydrophobicContact CD2-CD2 3.96Å; Y312-Y522 AromaticContact CD2-CE1 3.74Å; Y312-Y522 HydrophobicContact CD2-CE1 3.74Å; Y312-Y522 HydrophobicContact CD2-CE2 4.02Å; Y312-Y522 AromaticContact CD2-CG 3.8Å; Y312-Y522 HydrophobicContact CD2-CG 3.8Å; Y312-Y522 AromaticContact CD2-CZ 3.92Å; Y312-Y522 HydrophobicContact CE2-CD1 4.17Å; Y312-Y522 HydrophobicContact CE2-CE1 4.44Å; Y312-Y522 HydrophobicContact CE2-CG 4.47Å; Y312-Y522 HydrophobicContact CG-CE1 4.28Å; Y312-Y522 HydrophobicContact CG-CE2 4.29Å; F518-Y522 VanDerWaalsContact O-CB 3.25Å; F518-Y522 WeakPolarHBondContact O-CB 3.48Å; F518-Y522 PolarHBondContact O-N 2.87Å; N519-Y522 PolarHBondContact O-N 3.18Å; V520-Y522 PolarHBondContact O-N 3.36Å; Y522-Y525 PolarHBondContact O-N 3.48Å; Y522-Y526 HydrophobicContact CD1-CD2 4.5Å; Y522-Y526 AromaticContact CD2-CD2 3.49Å; Y522-Y526 HydrophobicContact CD2-CD2 3.49Å; Y522-Y526 VanDerWaalsContact CD2-CD2 3.49Å; Y522-Y526 AromaticContact CD2-CE2 3.54Å; Y522-Y526 HydrophobicContact CD2-CE2 3.54Å; Y522-Y526 HydrophobicContact CE1-CD2 4.36Å; Y522-Y526 AromaticContact CE2-CD2 3.29Å; Y522-Y526 HydrophobicContact CE2-CD2 3.29Å; Y522-Y526 AromaticContact CE2-CE2 3.34Å; Y522-Y526 HydrophobicContact CE2-CE2 3.34Å; Y522-Y526 HydrophobicContact CE2-CG 4.34Å; Y522-Y526 HydrophobicContact CG-CD2 4.09Å; Y522-Y526 AromaticContact CZ-CD2 3.77Å; Y522-Y526 WeakPolarHBondContact O-CD2 3.36Å; Y522-Y526 PolarHBondContact O-N 3.43Å
523	W	92.3	Very high	91.5	Very high	66 Å²	66	75.4 Å²	75.4	25%	0.25	38%	0.383	C	S	.	.	H	α-helix	trans	-66.2	-40.8	-178.3	-73.5	108.7	0	0	0	111.6	L173 I250 Y254 N519 Y525 V527	L173-W523 HydrophobicContact CD1-CZ3 4.16Å; L173-W523 HydrophobicContact CD2-CZ3 4.33Å; I250-W523 HydrophobicContact CD1-CH2 3.29Å; I250-W523 HydrophobicContact CD1-CZ2 3.82Å; I250-W523 HydrophobicContact CD1-CZ3 4.19Å; Y254-W523 HydrophobicContact CD1-CH2 4.22Å; Y254-W523 AromaticContact CD1-CZ2 3.75Å; Y254-W523 HydrophobicContact CD1-CZ2 3.75Å; Y254-W523 HydrophobicContact CD2-CH2 4.33Å; Y254-W523 HydrophobicContact CE1-CH2 4.12Å; Y254-W523 AromaticContact CE1-CZ2 3.94Å; Y254-W523 HydrophobicContact CE1-CZ2 3.94Å; Y254-W523 HydrophobicContact CE2-CH2 4.21Å; Y254-W523 HydrophobicContact CG-CH2 4.34Å; Y254-W523 HydrophobicContact CG-CZ2 4.08Å; N519-W523 PolarHBondContact O-N 3.02Å; W523-Y525 VanDerWaalsContact C-N 3.33Å; W523-Y525 PolarHBondContact O-N 3.43Å; W523-V527 HydrophobicContact CE3-CG2 3.63Å; W523-V527 HydrophobicContact CZ3-CG2 4.23Å; W523-V527 WeakPolarHBondContact O-CB 3.48Å; W523-V527 WeakPolarHBondContact O-CG2 3.44Å; W523-V527 PolarHBondContact O-N 3.34Å
524	L	92.2	Very high	91.4	Very high	102 Å²	102	75 Å²	75	53%	0.534	38%	0.375	S	S	.	.	H	α-helix	trans	-62.9	-38.4	175.5	-73.6	173.6	0	0	0	112.6	V520 H528	V520-L524 HydrophobicContact CG1-CD1 3.72Å; V520-L524 HydrophobicContact CG1-CG 4.38Å; V520-L524 VanDerWaalsContact O-CB 3.31Å; V520-L524 WeakPolarHBondContact O-CB 3.34Å; V520-L524 VanDerWaalsContact O-CG 3.23Å; V520-L524 WeakPolarHBondContact O-CG 3.37Å; V520-L524 PolarHBondContact O-N 3.44Å; L524-H528 WeakPolarHBondContact O-CB 3.38Å
525	Y	92.5	Very high	91.2	Very high	149 Å²	149	75.6 Å²	75.6	58%	0.584	37%	0.373	S	S	*	.	H	α-helix	trans	-76.1	-34.9	-177.3	179.3	-95.4	0	0	0	113.8	V521 Y522 W523 H528	V521-Y525 VanDerWaalsContact O-CB 3.25Å; V521-Y525 WeakPolarHBondContact O-CB 3.38Å; V521-Y525 PolarHBondContact O-N 3.32Å; Y522-Y525 PolarHBondContact O-N 3.48Å; W523-Y525 VanDerWaalsContact C-N 3.33Å; W523-Y525 PolarHBondContact O-N 3.43Å; Y525-H528 VanDerWaalsContact O-OXT 3.11Å
526	Y	88.4	Confident	90.9	Very high	37 Å²	37	80.5 Å²	80.5	15%	0.145	40%	0.398	C	S	.	.	H	α-helix	trans	-98.9	-19.6	-175.1	-73.3	-71.7	0	0	0	114.4	A308 Y522	A308-Y526 HydrophobicContact CB-CD1 3.5Å; A308-Y526 VanDerWaalsContact CB-CD1 3.5Å; A308-Y526 HydrophobicContact CB-CD2 4.33Å; A308-Y526 HydrophobicContact CB-CE1 3.27Å; A308-Y526 HydrophobicContact CB-CE2 4.16Å; A308-Y526 HydrophobicContact CB-CG 4.03Å; Y522-Y526 HydrophobicContact CD1-CD2 4.5Å; Y522-Y526 AromaticContact CD2-CD2 3.49Å; Y522-Y526 HydrophobicContact CD2-CD2 3.49Å; Y522-Y526 VanDerWaalsContact CD2-CD2 3.49Å; Y522-Y526 AromaticContact CD2-CE2 3.54Å; Y522-Y526 HydrophobicContact CD2-CE2 3.54Å; Y522-Y526 HydrophobicContact CE1-CD2 4.36Å; Y522-Y526 AromaticContact CE2-CD2 3.29Å; Y522-Y526 HydrophobicContact CE2-CD2 3.29Å; Y522-Y526 AromaticContact CE2-CE2 3.34Å; Y522-Y526 HydrophobicContact CE2-CE2 3.34Å; Y522-Y526 HydrophobicContact CE2-CG 4.34Å; Y522-Y526 HydrophobicContact CG-CD2 4.09Å; Y522-Y526 AromaticContact CZ-CD2 3.77Å; Y522-Y526 WeakPolarHBondContact O-CD2 3.36Å; Y522-Y526 PolarHBondContact O-N 3.43Å
527	V	83.9	Confident	90.7	Very high	81 Å²	81	81.3 Å²	81.3	49%	0.491	39%	0.39	S	S	.	.	H	α-helix	trans	-86.9	-32.4	175.6	177.7	0	0	0	0	112	L173 W523	L173-V527 HydrophobicContact CD1-CG2 4.37Å; L173-V527 HydrophobicContact CD2-CG2 4.26Å; W523-V527 HydrophobicContact CE3-CG2 3.63Å; W523-V527 HydrophobicContact CZ3-CG2 4.23Å; W523-V527 WeakPolarHBondContact O-CB 3.48Å; W523-V527 WeakPolarHBondContact O-CG2 3.44Å; W523-V527 PolarHBondContact O-N 3.34Å
528	H	72.5	Confident	90.3	Very high	172 Å²	172	75.8 Å²	75.8	80%	0.796	37%	0.369	S	S	*	.			trans	-96.3	0	171.7	-66.6	-56.8	0	0	0	111.3	R170 L524 Y525	R170-H528 PolarHBondContact NH1-OXT 3.37Å; L524-H528 WeakPolarHBondContact O-CB 3.38Å; Y525-H528 VanDerWaalsContact O-OXT 3.11Å

Retrieved 528 of 528 residues in 316.1 ms (Link to these results)

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