A0A068FJK1_ARATH Loading...

glucomannan 4-beta-mannosyltransferase

AlphaFold DB (Q9LR87), UniProt , Accession A0A068FJK1, Species ARATH (Arabidopsis thaliana, Mouse-ear cress), Gene n/a, Length 552 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.5	Very low	48.6	Very low	216 Å²	216	99.5 Å²	99.5	100%	1.064	51%	0.51	S	S	*	.				0	-27.7	0	-135.1	167.7	87.2	0	0	112.9
2	T	50.4	Low	49.4	Very low	105 Å²	105	101 Å²	101	64%	0.644	51%	0.513	S	S	*	.	H	α-helix	trans	-71.1	-28.7	177.3	41.7	0	0	0	0	114.6	K6	T2-K6 WeakPolarHBondContact O-CG 3.34Å; T2-K6 PolarHBondContact O-N 3.27Å
3	T	47.7	Very low	49.6	Very low	74 Å²	74	99.5 Å²	99.5	45%	0.454	51%	0.507	S	S	.	.	H	α-helix	trans	-73.2	-42.7	-177	-15.5	0	0	0	0	113.4	L5 K6 S7	T3-L5 VanDerWaalsContact C-N 3.3Å; T3-L5 PolarHBondContact O-N 3.06Å; T3-K6 PolarHBondContact O-N 2.87Å; T3-S7 PolarHBondContact O-N 3.39Å; T3-S7 PolarHBondContact O-OG 3.01Å; T3-S7 VanDerWaalsContact O-OG 3.09Å
4	F	41.8	Very low	50	Low	157 Å²	157	94.7 Å²	94.7	69%	0.689	49%	0.487	S	S	*	.	H	α-helix	trans	-66.4	-36.4	176.4	-163.5	-97.3	0	0	0	111.3	S7 L8	F4-S7 PolarHBondContact O-N 3.41Å; F4-L8 HydrophobicContact CD1-CD1 3.83Å; F4-L8 HydrophobicContact CE1-CD1 3.45Å; F4-L8 VanDerWaalsContact CE1-CD1 3.45Å; F4-L8 HydrophobicContact CZ-CD1 4.19Å; F4-L8 PolarHBondContact O-N 3Å
5	L	46.2	Very low	50.1	Low	108 Å²	108	89.4 Å²	89.4	57%	0.565	46%	0.461	S	S	*	.	H	α-helix	trans	-64.8	-42.3	174.9	-155.8	78	0	0	0	111.3	T3 L8 I9	T3-L5 VanDerWaalsContact C-N 3.3Å; T3-L5 PolarHBondContact O-N 3.06Å; L5-L8 WeakPolarHBondContact O-CB 3.36Å; L5-L8 PolarHBondContact O-N 2.97Å; L5-I9 HydrophobicContact CD2-CD1 4.38Å; L5-I9 HydrophobicContact CG-CD1 4.14Å; L5-I9 WeakPolarHBondContact O-CB 3.45Å; L5-I9 WeakPolarHBondContact O-CD1 3.37Å; L5-I9 WeakPolarHBondContact O-CG1 3.43Å; L5-I9 PolarHBondContact O-N 2.96Å
6	K	47.2	Very low	50.4	Low	126 Å²	126	89.9 Å²	89.9	55%	0.548	46%	0.464	S	S	.	.	H	α-helix	trans	-63.7	-39.5	174.9	-76.8	-176.9	177	-170.3	0	112.8	T2 T3 L8 I9 F10	T2-K6 WeakPolarHBondContact O-CG 3.34Å; T2-K6 PolarHBondContact O-N 3.27Å; T3-K6 PolarHBondContact O-N 2.87Å; K6-L8 VanDerWaalsContact C-N 3.33Å; K6-I9 PolarHBondContact O-N 3.21Å; K6-F10 WeakPolarHBondContact O-CB 3.46Å; K6-F10 PolarHBondContact O-N 2.81Å
7	S	49.3	Very low	50.5	Low	47 Å²	47	86.6 Å²	86.6	33%	0.329	45%	0.454	S	S	.	.	H	α-helix	trans	-64.2	-39.3	173.3	-51.8	0	0	0	0	112	T3 F4 F10 L11	T3-S7 PolarHBondContact O-N 3.39Å; T3-S7 PolarHBondContact O-OG 3.01Å; T3-S7 VanDerWaalsContact O-OG 3.09Å; F4-S7 PolarHBondContact O-N 3.41Å; S7-F10 PolarHBondContact O-N 3.16Å; S7-L11 WeakPolarHBondContact O-CB 3.4Å; S7-L11 PolarHBondContact O-N 3.41Å
8	L	46.6	Very low	50.6	Low	91 Å²	91	84.9 Å²	84.9	48%	0.476	44%	0.442	S	S	.	.	H	α-helix	trans	-66.6	-42.2	175.6	-122.7	103	0	0	0	112	F4 L5 K6 L11 Q12	F4-L8 HydrophobicContact CD1-CD1 3.83Å; F4-L8 HydrophobicContact CE1-CD1 3.45Å; F4-L8 VanDerWaalsContact CE1-CD1 3.45Å; F4-L8 HydrophobicContact CZ-CD1 4.19Å; F4-L8 PolarHBondContact O-N 3Å; L5-L8 WeakPolarHBondContact O-CB 3.36Å; L5-L8 PolarHBondContact O-N 2.97Å; K6-L8 VanDerWaalsContact C-N 3.33Å; L8-L11 WeakPolarHBondContact O-CB 3.35Å; L8-L11 PolarHBondContact O-N 3.01Å; L8-Q12 VanDerWaalsContact O-CB 3.3Å; L8-Q12 WeakPolarHBondContact O-CB 3.41Å; L8-Q12 PolarHBondContact O-N 3.28Å
9	I	54.1	Low	50.5	Low	76 Å²	76	84.9 Å²	84.9	39%	0.39	44%	0.442	S	S	.	.	H	α-helix	trans	-63.3	-45.1	175.9	-68.9	161.3	0	0	0	109.7	L5 K6 L11 Q12 D13	L5-I9 HydrophobicContact CD2-CD1 4.38Å; L5-I9 HydrophobicContact CG-CD1 4.14Å; L5-I9 WeakPolarHBondContact O-CB 3.45Å; L5-I9 WeakPolarHBondContact O-CD1 3.37Å; L5-I9 WeakPolarHBondContact O-CG1 3.43Å; L5-I9 PolarHBondContact O-N 2.96Å; K6-I9 PolarHBondContact O-N 3.21Å; I9-L11 VanDerWaalsContact C-N 3.33Å; I9-L11 PolarHBondContact O-N 3.46Å; I9-Q12 CarbonylContact O-C 3.59Å; I9-Q12 WeakPolarHBondContact O-CB 3.43Å; I9-Q12 PolarHBondContact O-N 3.36Å; I9-Q12 VanDerWaalsContact O-N 3.13Å; I9-D13 WeakPolarHBondContact CG2-OD2 3.28Å; I9-D13 WeakPolarHBondContact O-CB 3.45Å; I9-D13 VanDerWaalsContact O-CG 3.26Å; I9-D13 PolarHBondContact O-N 2.95Å
10	F	55.6	Low	50.5	Low	53 Å²	53	84.2 Å²	84.2	23%	0.232	45%	0.445	C	S	.	.	H	α-helix	trans	-60.7	-42.1	174.5	177.9	-98.2	0	0	0	112.2	K6 S7 Q12 S14 I42 A45	K6-F10 WeakPolarHBondContact O-CB 3.46Å; K6-F10 PolarHBondContact O-N 2.81Å; S7-F10 PolarHBondContact O-N 3.16Å; F10-Q12 VanDerWaalsContact C-N 3.32Å; F10-S14 VanDerWaalsContact O-CB 3.25Å; F10-S14 WeakPolarHBondContact O-CB 3.45Å; F10-S14 PolarHBondContact O-N 2.95Å; F10-S14 PolarHBondContact O-OG 3.45Å; F10-I42 HydrophobicContact CE2-CG1 4.04Å; F10-I42 HydrophobicContact CZ-CG1 3.97Å; F10-A45 HydrophobicContact CD2-CB 4.05Å; F10-A45 HydrophobicContact CE2-CB 4.03Å
11	L	53.7	Low	50.6	Low	42 Å²	42	82.9 Å²	82.9	22%	0.22	44%	0.438	C	S	.	.	H	α-helix	trans	-61.4	-42.9	174	-130.4	91.1	0	0	0	111.2	S7 L8 I9 C15 F412 C518	S7-L11 WeakPolarHBondContact O-CB 3.4Å; S7-L11 PolarHBondContact O-N 3.41Å; L8-L11 WeakPolarHBondContact O-CB 3.35Å; L8-L11 PolarHBondContact O-N 3.01Å; I9-L11 VanDerWaalsContact C-N 3.33Å; I9-L11 PolarHBondContact O-N 3.46Å; L11-C15 VanDerWaalsContact O-CB 3.28Å; L11-C15 WeakPolarHBondContact O-CB 3.38Å; L11-C15 PolarHBondContact O-N 2.98Å; L11-F412 HydrophobicContact CD1-CZ 4.07Å; L11-C518 HydrophobicContact CD1-CB 4.42Å; L11-C518 HydrophobicContact CD2-CB 3.52Å; L11-C518 HydrophobicContact CG-CB 3.62Å
12	Q	57.6	Low	50.9	Low	117 Å²	117	78.6 Å²	78.6	55%	0.547	42%	0.417	S	S	.	.	H	α-helix	trans	-64.1	-48.3	178.6	177.5	177.3	-24.4	0	0	111.6	L8 I9 F10 C15 L16	L8-Q12 VanDerWaalsContact O-CB 3.3Å; L8-Q12 WeakPolarHBondContact O-CB 3.41Å; L8-Q12 PolarHBondContact O-N 3.28Å; I9-Q12 CarbonylContact O-C 3.59Å; I9-Q12 WeakPolarHBondContact O-CB 3.43Å; I9-Q12 PolarHBondContact O-N 3.36Å; I9-Q12 VanDerWaalsContact O-N 3.13Å; F10-Q12 VanDerWaalsContact C-N 3.32Å; Q12-C15 PolarHBondContact O-N 3.35Å; Q12-L16 HydrophobicContact CG-CD1 4.07Å; Q12-L16 WeakPolarHBondContact O-CB 3.45Å; Q12-L16 WeakPolarHBondContact O-CG 3.13Å; Q12-L16 PolarHBondContact O-N 3.44Å
13	D	52.9	Low	50.9	Low	82 Å²	82	81.4 Å²	81.4	44%	0.439	42%	0.42	S	S	.	.	H	α-helix	trans	-64.9	-41.3	179.3	-67.2	-21.9	0	0	0	111.1	I9 L16 A17	I9-D13 WeakPolarHBondContact CG2-OD2 3.28Å; I9-D13 WeakPolarHBondContact O-CB 3.45Å; I9-D13 VanDerWaalsContact O-CG 3.26Å; I9-D13 PolarHBondContact O-N 2.95Å; D13-L16 PolarHBondContact O-N 3.31Å; D13-A17 WeakPolarHBondContact O-CB 3.36Å; D13-A17 PolarHBondContact O-N 3.32Å
14	S	54.2	Low	51	Low	32 Å²	32	85 Å²	85	22%	0.224	43%	0.431	C	S	.	.	H	α-helix	trans	-64.4	-43	175.9	-57.7	0	0	0	0	111.8	F10 F18	F10-S14 VanDerWaalsContact O-CB 3.25Å; F10-S14 WeakPolarHBondContact O-CB 3.45Å; F10-S14 PolarHBondContact O-N 2.95Å; F10-S14 PolarHBondContact O-OG 3.45Å; S14-F18 WeakPolarHBondContact O-CB 3.3Å; S14-F18 PolarHBondContact O-N 3.47Å
15	C	51.4	Low	50.8	Low	15 Å²	15	90 Å²	90	10%	0.101	45%	0.446	C	S	.	.	H	α-helix	trans	-72.3	-32.3	178.4	-93	0	0	0	0	112.1	L11 Q12 L19 C518	L11-C15 VanDerWaalsContact O-CB 3.28Å; L11-C15 WeakPolarHBondContact O-CB 3.38Å; L11-C15 PolarHBondContact O-N 2.98Å; Q12-C15 PolarHBondContact O-N 3.35Å; C15-L19 WeakPolarHBondContact O-CB 3.38Å; C15-L19 VanDerWaalsContact O-CG 3.22Å; C15-L19 WeakPolarHBondContact O-CG 3.47Å; C15-L19 PolarHBondContact O-N 2.85Å; C15-C518 WeakPolarHBondContact CB-SG 3.49Å; C15-C518 WeakPolarHBondContact SG-CB 3.47Å; C15-C518 CovalentContact SG-SG 2.08Å; C15-C518 PolarHBondContact SG-SG 3.17Å
16	L	54.7	Low	50.9	Low	97 Å²	97	86.9 Å²	86.9	51%	0.508	44%	0.44	S	S	.	.	H	α-helix	trans	-65.1	-45.6	170.4	-80.3	166.5	0	0	0	112.3	Q12 D13 F18 L19 S20	Q12-L16 HydrophobicContact CG-CD1 4.07Å; Q12-L16 WeakPolarHBondContact O-CB 3.45Å; Q12-L16 WeakPolarHBondContact O-CG 3.13Å; Q12-L16 PolarHBondContact O-N 3.44Å; D13-L16 PolarHBondContact O-N 3.31Å; L16-F18 VanDerWaalsContact C-N 3.33Å; L16-F18 PolarHBondContact O-N 2.92Å; L16-L19 PolarHBondContact O-N 2.95Å; L16-S20 PolarHBondContact O-N 3.33Å
17	A	52.7	Low	51	Low	34 Å²	34	83.8 Å²	83.8	28%	0.281	43%	0.434	S	S	.	.	H	α-helix	trans	-63.4	-39.7	177.6	0	0	0	0	0	112	D13 S20 L21 L38	D13-A17 WeakPolarHBondContact O-CB 3.36Å; D13-A17 PolarHBondContact O-N 3.32Å; A17-S20 WeakPolarHBondContact O-CB 3.47Å; A17-S20 PolarHBondContact O-N 2.9Å; A17-L21 PolarHBondContact O-N 3.26Å; A17-L38 HydrophobicContact CB-CD1 3.5Å
18	F	52.1	Low	51.1	Low	57 Å²	57	86.7 Å²	86.7	25%	0.25	45%	0.454	C	S	.	.	H	α-helix	trans	-66.3	-42	174.8	-175.2	-98.6	0	0	0	112.7	S14 L16 S20 L21 M22	S14-F18 WeakPolarHBondContact O-CB 3.3Å; S14-F18 PolarHBondContact O-N 3.47Å; L16-F18 VanDerWaalsContact C-N 3.33Å; L16-F18 PolarHBondContact O-N 2.92Å; F18-S20 VanDerWaalsContact C-N 3.29Å; F18-S20 PolarHBondContact O-N 3.23Å; F18-L21 WeakPolarHBondContact O-CB 3.22Å; F18-L21 PolarHBondContact O-N 2.92Å; F18-M22 HydrophobicContact CD1-CG 4.02Å; F18-M22 HydrophobicContact CE1-CG 3.58Å; F18-M22 HydrophobicContact CE1-SD 4.21Å; F18-M22 HydrophobicContact CE2-CG 4.36Å; F18-M22 HydrophobicContact CZ-CG 3.77Å; F18-M22 HydrophobicContact CZ-SD 3.92Å; F18-M22 WeakPolarHBondContact O-CG 3.44Å; F18-M22 PolarHBondContact O-N 3.33Å
19	L	49.8	Very low	51.8	Low	85 Å²	85	89.7 Å²	89.7	45%	0.445	47%	0.465	S	S	.	.	H	α-helix	trans	-60.9	-40.1	173.2	-74	167.7	0	0	0	111	C15 L16 L21 M22 F23	C15-L19 WeakPolarHBondContact O-CB 3.38Å; C15-L19 VanDerWaalsContact O-CG 3.22Å; C15-L19 WeakPolarHBondContact O-CG 3.47Å; C15-L19 PolarHBondContact O-N 2.85Å; L16-L19 PolarHBondContact O-N 2.95Å; L19-L21 PolarHBondContact O-N 2.81Å; L19-M22 PolarHBondContact O-N 2.83Å; L19-F23 HydrophobicContact CB-CD2 4.48Å; L19-F23 HydrophobicContact CD2-CD2 4.12Å; L19-F23 HydrophobicContact CD2-CE2 3.69Å; L19-F23 WeakPolarHBondContact O-CB 3.41Å; L19-F23 VanDerWaalsContact O-CD2 3.28Å; L19-F23 WeakPolarHBondContact O-CD2 3.25Å; L19-F23 PolarHBondContact O-N 3.46Å
20	S	50.1	Low	52	Low	70 Å²	70	90.9 Å²	90.9	49%	0.49	47%	0.473	S	S	.	.	H	α-helix	trans	-59.7	-45.3	173.7	-167.6	0	0	0	0	111.6	L16 A17 F18 M22 H24	L16-S20 PolarHBondContact O-N 3.33Å; A17-S20 WeakPolarHBondContact O-CB 3.47Å; A17-S20 PolarHBondContact O-N 2.9Å; F18-S20 VanDerWaalsContact C-N 3.29Å; F18-S20 PolarHBondContact O-N 3.23Å; S20-M22 PolarHBondContact O-N 3.5Å; S20-H24 WeakPolarHBondContact O-CB 3.49Å; S20-H24 PolarHBondContact O-N 3.44Å
21	L	53.1	Low	51.9	Low	56 Å²	56	90.3 Å²	90.3	29%	0.293	48%	0.478	S	S	.	.	H	α-helix	trans	-62.5	-37.5	176.8	-88.1	157.2	0	0	0	113.3	A17 F18 L19 A31 A34	A17-L21 PolarHBondContact O-N 3.26Å; F18-L21 WeakPolarHBondContact O-CB 3.22Å; F18-L21 PolarHBondContact O-N 2.92Å; L19-L21 PolarHBondContact O-N 2.81Å; L21-A31 HydrophobicContact CD2-CB 3.84Å; L21-A34 HydrophobicContact CD2-CB 4.34Å; L21-A34 HydrophobicContact CG-CB 4.4Å
22	M	47.5	Very low	52.3	Low	127 Å²	127	91.2 Å²	91.2	63%	0.626	49%	0.491	S	S	*	.	H	α-helix	trans	-77.1	-32.9	-178.6	-73.2	-75.9	-69.3	0	0	113.3	F18 L19 S20	F18-M22 HydrophobicContact CD1-CG 4.02Å; F18-M22 HydrophobicContact CE1-CG 3.58Å; F18-M22 HydrophobicContact CE1-SD 4.21Å; F18-M22 HydrophobicContact CE2-CG 4.36Å; F18-M22 HydrophobicContact CZ-CG 3.77Å; F18-M22 HydrophobicContact CZ-SD 3.92Å; F18-M22 WeakPolarHBondContact O-CG 3.44Å; F18-M22 PolarHBondContact O-N 3.33Å; L19-M22 PolarHBondContact O-N 2.83Å; S20-M22 PolarHBondContact O-N 3.5Å
23	F	51.5	Low	52.8	Low	164 Å²	164	90.9 Å²	90.9	72%	0.719	49%	0.49	S	S	*	.	H	α-helix	trans	-103.6	-15	-173.2	-72.7	-74.8	0	0	0	114.4	L19	L19-F23 HydrophobicContact CB-CD2 4.48Å; L19-F23 HydrophobicContact CD2-CD2 4.12Å; L19-F23 HydrophobicContact CD2-CE2 3.69Å; L19-F23 WeakPolarHBondContact O-CB 3.41Å; L19-F23 VanDerWaalsContact O-CD2 3.28Å; L19-F23 WeakPolarHBondContact O-CD2 3.25Å; L19-F23 PolarHBondContact O-N 3.46Å
24	H	48.7	Very low	53.1	Low	148 Å²	148	88.9 Å²	88.9	69%	0.685	49%	0.485	S	S	*	.			trans	-89.3	107	167.8	-102.1	15.1	0	0	0	111.3	S20 G26	S20-H24 WeakPolarHBondContact O-CB 3.49Å; S20-H24 PolarHBondContact O-N 3.44Å; H24-G26 PolarHBondContact O-N 2.79Å
25	R	38.5	Very low	53.2	Low	264 Å²	264	91.2 Å²	91.2	100%	0.996	49%	0.494	S	S	*	.			trans	-72.7	63.5	163	-160.6	178.6	-169.9	-176.3	2.1	108.8
26	G	48	Very low	54	Low	42 Å²	42	97 Å²	97	43%	0.433	52%	0.518	S	S	.	.			trans	-100.7	168	177.4	0	0	0	0	0	111.5	H24	H24-G26 PolarHBondContact O-N 2.79Å
27	S	48.6	Very low	54.6	Low	61 Å²	61	98.9 Å²	98.9	43%	0.427	52%	0.522	S	S	.	.			trans	-55.8	153	-177.9	169.7	0	0	0	0	112.1	E29 D30 A31	S27-E29 PolarHBondContact O-N 2.91Å; S27-E29 PolarHBondContact OG-N 2.99Å; S27-D30 PolarHBondContact N-OD2 3.44Å; S27-D30 PolarHBondContact O-N 3.3Å; S27-A31 PolarHBondContact O-N 3.48Å
28	S	52.1	Low	54.8	Low	108 Å²	108	99 Å²	99	76%	0.755	52%	0.517	S	S	*	.	H	α-helix	trans	-48.5	-28.3	169.7	174.5	0	0	0	0	113.1	A32	S28-A32 PolarHBondContact O-N 3Å
29	E	61.3	Low	55.3	Low	153 Å²	153	101.5 Å²	101.5	72%	0.715	53%	0.53	S	S	*	.	H	α-helix	trans	-75.1	-38.4	178.3	-68.1	179.8	149.7	0	0	112.5	S27 A31 A32 E33	S27-E29 PolarHBondContact O-N 2.91Å; S27-E29 PolarHBondContact OG-N 2.99Å; E29-A31 VanDerWaalsContact C-N 3.31Å; E29-A31 PolarHBondContact O-N 3.2Å; E29-A32 PolarHBondContact O-N 3.03Å; E29-E33 PolarHBondContact O-N 3.41Å
30	D	58.1	Low	56	Low	101 Å²	101	101.7 Å²	101.7	54%	0.54	54%	0.535	S	S	.	.	H	α-helix	trans	-64.8	-38.2	179.1	-63.4	-42.7	0	0	0	111.3	S27 A34	S27-D30 PolarHBondContact N-OD2 3.44Å; S27-D30 PolarHBondContact O-N 3.3Å; D30-A34 WeakPolarHBondContact O-CB 3.48Å; D30-A34 PolarHBondContact O-N 2.95Å
31	A	52.5	Low	56.5	Low	41 Å²	41	101.6 Å²	101.6	34%	0.339	53%	0.534	S	S	.	.	H	α-helix	trans	-65.1	-39.8	176.3	0	0	0	0	0	111.9	L21 S27 E29 L35	L21-A31 HydrophobicContact CD2-CB 3.84Å; S27-A31 PolarHBondContact O-N 3.48Å; E29-A31 VanDerWaalsContact C-N 3.31Å; E29-A31 PolarHBondContact O-N 3.2Å; A31-L35 WeakPolarHBondContact O-CB 3.23Å; A31-L35 PolarHBondContact O-N 2.93Å
32	A	62.6	Low	56.7	Low	61 Å²	61	100.1 Å²	100.1	50%	0.504	53%	0.526	S	S	.	.	H	α-helix	trans	-68.2	-42.9	178	0	0	0	0	0	112	S28 E29 L35 K36	S28-A32 PolarHBondContact O-N 3Å; E29-A32 PolarHBondContact O-N 3.03Å; A32-L35 PolarHBondContact O-N 3.3Å; A32-K36 WeakPolarHBondContact O-CB 3.25Å; A32-K36 PolarHBondContact O-N 2.84Å
33	E	68.1	Low	57.1	Low	111 Å²	111	97.9 Å²	97.9	52%	0.519	52%	0.517	S	S	.	.	H	α-helix	trans	-62.4	-42.3	175.8	-169.4	72.8	-158.7	0	0	111.2	E29 K36 K37	E29-E33 PolarHBondContact O-N 3.41Å; E33-K36 PolarHBondContact O-N 2.97Å; E33-K37 PolarHBondContact O-N 3.34Å
34	A	59.6	Low	57.2	Low	40 Å²	40	92 Å²	92	33%	0.331	50%	0.502	S	S	.	.	H	α-helix	trans	-63.4	-41.2	174.9	0	0	0	0	0	112.2	L21 D30 K36 K37 L38	L21-A34 HydrophobicContact CD2-CB 4.34Å; L21-A34 HydrophobicContact CG-CB 4.4Å; D30-A34 WeakPolarHBondContact O-CB 3.48Å; D30-A34 PolarHBondContact O-N 2.95Å; A34-K36 VanDerWaalsContact C-N 3.34Å; A34-K37 PolarHBondContact O-N 2.79Å; A34-L38 WeakPolarHBondContact O-CB 3.35Å; A34-L38 PolarHBondContact O-N 2.92Å
35	L	57.1	Low	57.3	Low	81 Å²	81	86.2 Å²	86.2	42%	0.424	48%	0.48	S	S	.	.	H	α-helix	trans	-63.3	-41.6	176.5	-140.2	109.4	0	0	0	111.5	A31 A32 L38 E39	A31-L35 WeakPolarHBondContact O-CB 3.23Å; A31-L35 PolarHBondContact O-N 2.93Å; A32-L35 PolarHBondContact O-N 3.3Å; L35-L38 WeakPolarHBondContact O-CB 3.36Å; L35-L38 PolarHBondContact O-N 3.27Å; L35-E39 PolarHBondContact O-N 2.72Å
36	K	68.1	Low	57.7	Low	137 Å²	137	81.5 Å²	81.5	60%	0.596	46%	0.462	S	S	*	.	H	α-helix	trans	-66.7	-41.1	178.2	-154	177.8	-172.6	-179	0	111.8	A32 E33 A34 L38 E39 T40	A32-K36 WeakPolarHBondContact O-CB 3.25Å; A32-K36 PolarHBondContact O-N 2.84Å; E33-K36 PolarHBondContact O-N 2.97Å; A34-K36 VanDerWaalsContact C-N 3.34Å; K36-L38 VanDerWaalsContact C-N 3.34Å; K36-E39 PolarHBondContact O-N 2.95Å; K36-T40 PolarHBondContact O-N 3.34Å; K36-T40 PolarHBondContact O-OG1 2.95Å
37	K	66.1	Low	57.7	Low	135 Å²	135	85.8 Å²	85.8	59%	0.587	47%	0.474	S	S	*	.	H	α-helix	trans	-61.3	-43.4	171.5	-78.8	-179	-179	173.4	0	111.4	E33 A34 T40 S41	E33-K37 PolarHBondContact O-N 3.34Å; A34-K37 PolarHBondContact O-N 2.79Å; K37-T40 WeakPolarHBondContact CA-OG1 3.5Å; K37-T40 PolarHBondContact O-N 3.25Å; K37-T40 PolarHBondContact O-OG1 3.37Å; K37-S41 WeakPolarHBondContact O-CB 3.42Å; K37-S41 PolarHBondContact O-N 3.47Å
38	L	57.9	Low	57.6	Low	36 Å²	36	86.5 Å²	86.5	19%	0.188	48%	0.479	C	S	.	.	H	α-helix	trans	-60.1	-48.2	175.3	-162	83.9	0	0	0	111	A17 A34 L35 K36 T40 S41 I42	A17-L38 HydrophobicContact CB-CD1 3.5Å; A34-L38 WeakPolarHBondContact O-CB 3.35Å; A34-L38 PolarHBondContact O-N 2.92Å; L35-L38 WeakPolarHBondContact O-CB 3.36Å; L35-L38 PolarHBondContact O-N 3.27Å; K36-L38 VanDerWaalsContact C-N 3.34Å; L38-T40 PolarHBondContact O-N 2.84Å; L38-S41 PolarHBondContact O-N 3.38Å; L38-I42 HydrophobicContact CD2-CD1 4Å; L38-I42 HydrophobicContact CG-CD1 3.81Å; L38-I42 HydrophobicContact CG-CG1 4.49Å; L38-I42 WeakPolarHBondContact O-CB 3.43Å; L38-I42 WeakPolarHBondContact O-CD1 3.47Å; L38-I42 WeakPolarHBondContact O-CG1 3.11Å; L38-I42 PolarHBondContact O-N 3.45Å
39	E	63	Low	57.3	Low	110 Å²	110	86.2 Å²	86.2	51%	0.514	46%	0.464	S	S	.	.	H	α-helix	trans	-58.7	-44.3	175.4	-84.1	-171.5	151.2	0	0	112.6	L35 K36 S41 I42 N43	L35-E39 PolarHBondContact O-N 2.72Å; K36-E39 PolarHBondContact O-N 2.95Å; E39-S41 PolarHBondContact O-N 2.94Å; E39-I42 PolarHBondContact O-N 3.23Å; E39-N43 VanDerWaalsContact O-CB 3.3Å; E39-N43 WeakPolarHBondContact O-CB 3.3Å; E39-N43 VanDerWaalsContact O-CG 3.27Å; E39-N43 PolarHBondContact O-N 3.36Å; E39-N43 PolarHBondContact O-ND2 3.17Å
40	T	64.1	Low	56.7	Low	90 Å²	90	84.3 Å²	84.3	55%	0.552	46%	0.459	S	S	*	.	H	α-helix	trans	-65.2	-38.4	176.7	50.8	0	0	0	0	112.5	K36 K37 L38 N43 G44	K36-T40 PolarHBondContact O-N 3.34Å; K36-T40 PolarHBondContact O-OG1 2.95Å; K37-T40 WeakPolarHBondContact CA-OG1 3.5Å; K37-T40 PolarHBondContact O-N 3.25Å; K37-T40 PolarHBondContact O-OG1 3.37Å; L38-T40 PolarHBondContact O-N 2.84Å; T40-N43 PolarHBondContact O-N 3.42Å; T40-G44 PolarHBondContact O-N 3.07Å
41	S	60.5	Low	56.4	Low	68 Å²	68	83.3 Å²	83.3	48%	0.476	46%	0.456	S	S	.	.	H	α-helix	trans	-67.1	-40.1	174.9	-171.7	0	0	0	0	111.5	K37 L38 E39 G44 A45	K37-S41 WeakPolarHBondContact O-CB 3.42Å; K37-S41 PolarHBondContact O-N 3.47Å; L38-S41 PolarHBondContact O-N 3.38Å; E39-S41 PolarHBondContact O-N 2.94Å; S41-G44 PolarHBondContact O-N 2.93Å; S41-A45 VanDerWaalsContact O-CB 3.25Å; S41-A45 WeakPolarHBondContact O-CB 3.45Å; S41-A45 PolarHBondContact O-N 3.13Å
42	I	56.5	Low	56.4	Low	25 Å²	25	86 Å²	86	13%	0.128	47%	0.469	C	S	.	.	H	α-helix	trans	-64.3	-46	175.1	-70.5	166.2	0	0	0	110.3	F10 L38 E39 A45 R46 F526	F10-I42 HydrophobicContact CE2-CG1 4.04Å; F10-I42 HydrophobicContact CZ-CG1 3.97Å; L38-I42 HydrophobicContact CD2-CD1 4Å; L38-I42 HydrophobicContact CG-CD1 3.81Å; L38-I42 HydrophobicContact CG-CG1 4.49Å; L38-I42 WeakPolarHBondContact O-CB 3.43Å; L38-I42 WeakPolarHBondContact O-CD1 3.47Å; L38-I42 WeakPolarHBondContact O-CG1 3.11Å; L38-I42 PolarHBondContact O-N 3.45Å; E39-I42 PolarHBondContact O-N 3.23Å; I42-A45 PolarHBondContact O-N 3.41Å; I42-R46 WeakPolarHBondContact O-CB 3.41Å; I42-R46 PolarHBondContact O-N 3.4Å; I42-F526 HydrophobicContact CD1-CZ 4.1Å; I42-F526 HydrophobicContact CG2-CE1 4.4Å; I42-F526 HydrophobicContact CG2-CZ 3.9Å
43	N	55.9	Low	55.7	Low	79 Å²	79	93.6 Å²	93.6	42%	0.422	49%	0.485	S	S	.	.	H	α-helix	trans	-65.2	-41.4	177.4	-75.6	-27.5	0	0	0	111.5	E39 T40 R46 I47	E39-N43 VanDerWaalsContact O-CB 3.3Å; E39-N43 WeakPolarHBondContact O-CB 3.3Å; E39-N43 VanDerWaalsContact O-CG 3.27Å; E39-N43 PolarHBondContact O-N 3.36Å; E39-N43 PolarHBondContact O-ND2 3.17Å; T40-N43 PolarHBondContact O-N 3.42Å; N43-R46 WeakPolarHBondContact O-CB 3.17Å; N43-R46 PolarHBondContact O-N 2.82Å; N43-I47 WeakPolarHBondContact O-CD1 3.28Å; N43-I47 VanDerWaalsContact O-CG1 3.23Å; N43-I47 WeakPolarHBondContact O-CG1 3.29Å; N43-I47 PolarHBondContact O-N 3.5Å
44	G	53.8	Low	55.5	Low	40 Å²	40	90.3 Å²	90.3	41%	0.412	47%	0.472	S	S	.	.	H	α-helix	trans	-63.2	-41.2	173.3	0	0	0	0	0	112.9	T40 S41 I47 S48	T40-G44 PolarHBondContact O-N 3.07Å; S41-G44 PolarHBondContact O-N 2.93Å; G44-I47 PolarHBondContact O-N 2.93Å; G44-S48 PolarHBondContact O-N 3.47Å
45	A	51.1	Low	55.8	Low	27 Å²	27	95.4 Å²	95.4	22%	0.223	48%	0.483	C	S	.	.	H	α-helix	trans	-67.2	-36.6	173.5	0	0	0	0	0	112	F10 S41 I42 S48 F49	F10-A45 HydrophobicContact CD2-CB 4.05Å; F10-A45 HydrophobicContact CE2-CB 4.03Å; S41-A45 VanDerWaalsContact O-CB 3.25Å; S41-A45 WeakPolarHBondContact O-CB 3.45Å; S41-A45 PolarHBondContact O-N 3.13Å; I42-A45 PolarHBondContact O-N 3.41Å; A45-S48 PolarHBondContact O-N 2.79Å; A45-F49 WeakPolarHBondContact O-CB 3.45Å; A45-F49 WeakPolarHBondContact O-CD2 3.38Å; A45-F49 PolarHBondContact O-N 2.82Å
46	R	46.5	Very low	56.6	Low	165 Å²	165	96.2 Å²	96.2	62%	0.623	48%	0.484	S	S	*	.	H	α-helix	trans	-60.9	-44.2	173.4	-126.4	176.3	-180	179.2	-0.5	111.2	I42 N43 F49 D50	I42-R46 WeakPolarHBondContact O-CB 3.41Å; I42-R46 PolarHBondContact O-N 3.4Å; N43-R46 WeakPolarHBondContact O-CB 3.17Å; N43-R46 PolarHBondContact O-N 2.82Å; R46-F49 PolarHBondContact O-N 3.3Å; R46-D50 PolarHBondContact O-N 2.87Å
47	I	48.4	Very low	57.1	Low	133 Å²	133	94.9 Å²	94.9	68%	0.682	48%	0.479	S	S	*	.	H	α-helix	trans	-67.6	-36.5	176.8	-65.1	162.4	0	0	0	110.7	N43 G44 F49 D50	N43-I47 WeakPolarHBondContact O-CD1 3.28Å; N43-I47 VanDerWaalsContact O-CG1 3.23Å; N43-I47 WeakPolarHBondContact O-CG1 3.29Å; N43-I47 PolarHBondContact O-N 3.5Å; G44-I47 PolarHBondContact O-N 2.93Å; I47-F49 VanDerWaalsContact C-N 3.32Å; I47-F49 PolarHBondContact O-N 2.67Å; I47-D50 PolarHBondContact O-N 3.37Å
48	S	45.7	Very low	57.8	Low	75 Å²	75	92.6 Å²	92.6	52%	0.524	47%	0.467	S	S	.	.	H	α-helix	trans	-72.3	-21.6	173.8	179.4	0	0	0	0	113.9	G44 A45 D50	G44-S48 PolarHBondContact O-N 3.47Å; A45-S48 PolarHBondContact O-N 2.79Å; S48-D50 VanDerWaalsContact C-N 3.29Å
49	F	47.1	Very low	58.9	Low	103 Å²	103	93.8 Å²	93.8	45%	0.452	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-9.7	176.1	-106.6	-88.8	0	0	0	113	A45 R46 I47 T51 T54	A45-F49 WeakPolarHBondContact O-CB 3.45Å; A45-F49 WeakPolarHBondContact O-CD2 3.38Å; A45-F49 PolarHBondContact O-N 2.82Å; R46-F49 PolarHBondContact O-N 3.3Å; I47-F49 VanDerWaalsContact C-N 3.32Å; I47-F49 PolarHBondContact O-N 2.67Å; F49-T51 VanDerWaalsContact C-N 3.34Å; F49-T51 PolarHBondContact O-N 2.08Å; F49-T54 PolarHBondContact O-OG1 3.2Å
50	D	47.9	Very low	59.9	Low	113 Å²	113	93.9 Å²	93.9	60%	0.604	48%	0.482	S	S	*	.			trans	-94.2	29.7	-171.4	-149.3	21.4	0	0	0	113.9	R46 I47 S48	R46-D50 PolarHBondContact O-N 2.87Å; I47-D50 PolarHBondContact O-N 3.37Å; S48-D50 VanDerWaalsContact C-N 3.29Å
51	T	52.4	Low	60.9	Low	79 Å²	79	95.3 Å²	95.3	49%	0.485	48%	0.48	S	S	.	.			trans	-71.6	133.3	162	52.9	0	0	0	0	109.3	F49 W53 T54 R55	F49-T51 VanDerWaalsContact C-N 3.34Å; F49-T51 PolarHBondContact O-N 2.08Å; T51-W53 PolarHBondContact O-N 2.88Å; T51-T54 PolarHBondContact N-OG1 3.31Å; T51-T54 PolarHBondContact O-N 3.07Å; T51-T54 PolarHBondContact O-OG1 3.42Å; T51-T54 WeakPolarHBondContact OG1-CG2 3.43Å; T51-T54 PolarHBondContact OG1-OG1 2.88Å; T51-R55 PolarHBondContact O-N 2.91Å
52	T	51.8	Low	62.2	Low	98 Å²	98	95.3 Å²	95.3	60%	0.601	47%	0.474	S	S	*	.	H	α-helix	trans	-50.5	-36.3	179.8	-15.4	0	0	0	0	112.2	T54 R55 E56	T52-T54 PolarHBondContact O-N 3.26Å; T52-R55 PolarHBondContact O-N 2.83Å; T52-E56 WeakPolarHBondContact O-CB 3.45Å; T52-E56 WeakPolarHBondContact O-CG 3.43Å; T52-E56 PolarHBondContact O-N 2.97Å
53	W	48	Very low	63.8	Low	220 Å²	220	94.6 Å²	94.6	83%	0.833	47%	0.471	S	S	*	.	H	α-helix	trans	-59.5	-39.5	174.6	-87.7	95.5	0	0	0	114.3	T51 F57	T51-W53 PolarHBondContact O-N 2.88Å; W53-F57 WeakPolarHBondContact O-CB 3.3Å; W53-F57 PolarHBondContact O-N 2.84Å
54	T	64.2	Low	65.6	Low	42 Å²	42	93.3 Å²	93.3	26%	0.258	47%	0.467	S	S	.	.	H	α-helix	trans	-75.6	-33.6	179.9	40.1	0	0	0	0	111.9	F49 T51 T52 R58	F49-T54 PolarHBondContact O-OG1 3.2Å; T51-T54 PolarHBondContact N-OG1 3.31Å; T51-T54 PolarHBondContact O-N 3.07Å; T51-T54 PolarHBondContact O-OG1 3.42Å; T51-T54 WeakPolarHBondContact OG1-CG2 3.43Å; T51-T54 PolarHBondContact OG1-OG1 2.88Å; T52-T54 PolarHBondContact O-N 3.26Å; T54-R58 WeakPolarHBondContact O-CB 3.24Å; T54-R58 PolarHBondContact O-N 2.89Å
55	R	66.9	Low	67.4	Low	147 Å²	147	96.7 Å²	96.7	56%	0.555	48%	0.475	S	S	*	.	H	α-helix	trans	-70.6	-48.3	176	-163.3	179.7	75.4	-175.1	4.1	111.9	T51 T52 R58 S59	T51-R55 PolarHBondContact O-N 2.91Å; T52-R55 PolarHBondContact O-N 2.83Å; R55-R58 PolarHBondContact O-N 2.96Å; R55-S59 PolarHBondContact O-N 3.25Å; R55-S59 PolarHBondContact O-OG 3.21Å
56	E	73.1	Confident	69.4	Low	98 Å²	98	96 Å²	96	46%	0.458	47%	0.467	S	S	.	.	H	α-helix	trans	-64.2	-42.4	176.6	-67.9	-55.7	138.7	0	0	111.5	T52 R58 S59 L60	T52-E56 WeakPolarHBondContact O-CB 3.45Å; T52-E56 WeakPolarHBondContact O-CG 3.43Å; T52-E56 PolarHBondContact O-N 2.97Å; E56-R58 PolarHBondContact O-N 3.24Å; E56-S59 WeakPolarHBondContact CA-OG 3.27Å; E56-S59 PolarHBondContact O-N 3.39Å; E56-S59 PolarHBondContact O-OG 3.33Å; E56-L60 WeakPolarHBondContact O-CB 3.42Å; E56-L60 PolarHBondContact O-N 3.41Å
57	F	77.8	Confident	71.6	Confident	110 Å²	110	93.1 Å²	93.1	48%	0.482	46%	0.459	S	S	.	.	H	α-helix	trans	-64	-40.9	176.7	-176	-97.3	0	0	0	112.4	W53 F61 I62	W53-F57 WeakPolarHBondContact O-CB 3.3Å; W53-F57 PolarHBondContact O-N 2.84Å; F57-F61 AromaticContact CD2-CD2 3.52Å; F57-F61 HydrophobicContact CD2-CD2 3.52Å; F57-F61 HydrophobicContact CD2-CE2 4.08Å; F57-F61 HydrophobicContact CD2-CG 4.4Å; F57-F61 HydrophobicContact CE2-CB 4.34Å; F57-F61 AromaticContact CE2-CD2 3.69Å; F57-F61 HydrophobicContact CE2-CD2 3.69Å; F57-F61 HydrophobicContact CE2-CE2 4.3Å; F57-F61 HydrophobicContact CE2-CG 4.19Å; F57-F61 HydrophobicContact CG-CD2 4.29Å; F57-F61 HydrophobicContact CZ-CB 4.45Å; F57-F61 PolarHBondContact O-N 3.23Å; F57-I62 HydrophobicContact CD1-CD1 3.85Å; F57-I62 HydrophobicContact CD1-CG1 4.04Å; F57-I62 HydrophobicContact CE1-CD1 3.81Å; F57-I62 HydrophobicContact CE1-CG1 3.83Å; F57-I62 PolarHBondContact O-N 3.49Å
58	R	80.8	Confident	73.9	Confident	86 Å²	86	90.8 Å²	90.8	33%	0.325	45%	0.454	S	S	.	.	I	π-helix	trans	-61.2	-50.3	175.2	172.9	-176.9	166.6	141.7	7.3	111	T54 R55 E56 I62 V63 F412 E415	T54-R58 WeakPolarHBondContact O-CB 3.24Å; T54-R58 PolarHBondContact O-N 2.89Å; R55-R58 PolarHBondContact O-N 2.96Å; E56-R58 PolarHBondContact O-N 3.24Å; R58-I62 PolarHBondContact O-N 2.85Å; R58-V63 HydrophobicContact CG-CG2 4Å; R58-V63 WeakPolarHBondContact O-CG2 3.39Å; R58-V63 PolarHBondContact O-N 3.07Å; R58-F412 PolarHBondContact NH2-O 3.41Å; R58-F412 VanDerWaalsContact NH2-O 3.08Å; R58-E415 IonicContact CZ-OE1 3.43Å; R58-E415 IonicContact NE-OE1 3.27Å; R58-E415 PolarHBondContact NE-OE1 2.65Å; R58-E415 IonicContact NH2-OE1 2.84Å; R58-E415 PolarHBondContact NH2-OE1 3.21Å; R58-E415 IonicContact NH2-OE2 3.17Å; R58-E415 PolarHBondContact NH2-OE2 3.49Å
59	S	80.9	Confident	76.2	Confident	61 Å²	61	90.9 Å²	90.9	43%	0.427	45%	0.448	S	S	.	.	I	π-helix	trans	-68.8	-36.2	-176.6	62.2	0	0	0	0	112.6	R55 E56 P64	R55-S59 PolarHBondContact O-N 3.25Å; R55-S59 PolarHBondContact O-OG 3.21Å; E56-S59 WeakPolarHBondContact CA-OG 3.27Å; E56-S59 PolarHBondContact O-N 3.39Å; E56-S59 PolarHBondContact O-OG 3.33Å; S59-P64 WeakPolarHBondContact O-CD 3.41Å; S59-P64 WeakPolarHBondContact O-CG 3.12Å
60	L	84.5	Confident	78.5	Confident	113 Å²	113	86.3 Å²	86.3	59%	0.592	43%	0.428	S	S	*	.	I	π-helix	trans	-85.6	-33.2	-174.1	-159.1	73.3	0	0	0	113.6	E56 P64	E56-L60 WeakPolarHBondContact O-CB 3.42Å; E56-L60 PolarHBondContact O-N 3.41Å; L60-P64 WeakPolarHBondContact O-CG 3.07Å
61	F	86	Confident	80.8	Confident	119 Å²	119	83.2 Å²	83.2	52%	0.522	42%	0.419	S	S	.	.	I	π-helix	trans	-118.6	-51.5	-173.9	-63.5	-75.8	0	0	0	113.8	F57 L65	F57-F61 AromaticContact CD2-CD2 3.52Å; F57-F61 HydrophobicContact CD2-CD2 3.52Å; F57-F61 HydrophobicContact CD2-CE2 4.08Å; F57-F61 HydrophobicContact CD2-CG 4.4Å; F57-F61 HydrophobicContact CE2-CB 4.34Å; F57-F61 AromaticContact CE2-CD2 3.69Å; F57-F61 HydrophobicContact CE2-CD2 3.69Å; F57-F61 HydrophobicContact CE2-CE2 4.3Å; F57-F61 HydrophobicContact CE2-CG 4.19Å; F57-F61 HydrophobicContact CG-CD2 4.29Å; F57-F61 HydrophobicContact CZ-CB 4.45Å; F57-F61 PolarHBondContact O-N 3.23Å; F61-L65 WeakPolarHBondContact O-CB 3.46Å; F61-L65 PolarHBondContact O-N 3.23Å; F61-L65 VanDerWaalsContact O-N 3.12Å
62	I	88.1	Confident	82.8	Confident	69 Å²	69	85.4 Å²	85.4	35%	0.354	42%	0.422	S	S	.	.	I	π-helix	trans	-71.8	-48.7	-170.5	-53.7	-179.3	0	0	0	111	F57 R58 L65 F66 F413	F57-I62 HydrophobicContact CD1-CD1 3.85Å; F57-I62 HydrophobicContact CD1-CG1 4.04Å; F57-I62 HydrophobicContact CE1-CD1 3.81Å; F57-I62 HydrophobicContact CE1-CG1 3.83Å; F57-I62 PolarHBondContact O-N 3.49Å; R58-I62 PolarHBondContact O-N 2.85Å; I62-L65 PolarHBondContact O-N 2.96Å; I62-F66 WeakPolarHBondContact O-CB 3.29Å; I62-F66 PolarHBondContact O-N 3.05Å; I62-F413 HydrophobicContact CG2-CE1 3.58Å; I62-F413 HydrophobicContact CG2-CZ 3.55Å
63	V	89.4	Confident	84.9	Confident	9 Å²	9	81 Å²	81	6%	0.055	40%	0.395	C	S	.	.	H	α-helix	trans	-64.2	-47.5	-178.7	173.3	0	0	0	0	111.4	R58 L65 F66 K67 F413 E415 V416	R58-V63 HydrophobicContact CG-CG2 4Å; R58-V63 WeakPolarHBondContact O-CG2 3.39Å; R58-V63 PolarHBondContact O-N 3.07Å; V63-L65 PolarHBondContact O-N 3.39Å; V63-F66 PolarHBondContact O-N 3.3Å; V63-K67 HydrophobicContact CG1-CD 4.2Å; V63-K67 HydrophobicContact CG1-CG 4.43Å; V63-K67 WeakPolarHBondContact O-CG 3.09Å; V63-K67 PolarHBondContact O-N 3.02Å; V63-F413 HydrophobicContact CG2-CD1 4Å; V63-F413 HydrophobicContact CG2-CE1 4.22Å; V63-E415 HydrophobicContact CG1-CB 4.33Å; V63-V416 HydrophobicContact CG1-CG2 4.23Å
64	P	92.6	Very high	87.2	Confident	53 Å²	53	71.9 Å²	71.9	34%	0.344	36%	0.362	S	S	.	.	H	α-helix	trans	-61.5	-42.1	176.2	-27.5	39	0	0	0	112.8	S59 L60 F66 K67 C68	S59-P64 WeakPolarHBondContact O-CD 3.41Å; S59-P64 WeakPolarHBondContact O-CG 3.12Å; L60-P64 WeakPolarHBondContact O-CG 3.07Å; P64-F66 PolarHBondContact O-N 3.48Å; P64-K67 WeakPolarHBondContact O-CB 3.22Å; P64-K67 PolarHBondContact O-N 3.07Å; P64-C68 PolarHBondContact O-N 2.75Å; P64-C68 PolarHBondContact O-SG 2.9Å
65	L	92.7	Very high	88.7	Confident	111 Å²	111	74.9 Å²	74.9	58%	0.581	38%	0.376	S	S	*	.	H	α-helix	trans	-59.9	-45.9	175.4	178.6	63.5	0	0	0	111.5	F61 I62 V63 C68 L69	F61-L65 WeakPolarHBondContact O-CB 3.46Å; F61-L65 PolarHBondContact O-N 3.23Å; F61-L65 VanDerWaalsContact O-N 3.12Å; I62-L65 PolarHBondContact O-N 2.96Å; V63-L65 PolarHBondContact O-N 3.39Å; L65-C68 WeakPolarHBondContact O-CB 3.46Å; L65-C68 PolarHBondContact O-N 3.41Å; L65-L69 WeakPolarHBondContact O-CG 3.15Å; L65-L69 PolarHBondContact O-N 2.71Å
66	F	92.6	Very high	90.1	Very high	13 Å²	13	68.6 Å²	68.6	6%	0.057	35%	0.353	C	S	.	.	H	α-helix	trans	-64.9	-39.6	177.7	-167.2	-107.3	0	0	0	111.8	I62 V63 P64 C68 L69 V70 I406 T409 F413 V416	I62-F66 WeakPolarHBondContact O-CB 3.29Å; I62-F66 PolarHBondContact O-N 3.05Å; V63-F66 PolarHBondContact O-N 3.3Å; P64-F66 PolarHBondContact O-N 3.48Å; F66-C68 VanDerWaalsContact C-N 3.34Å; F66-C68 PolarHBondContact O-N 3.09Å; F66-L69 PolarHBondContact O-N 3.01Å; F66-V70 HydrophobicContact CD1-CG2 4.18Å; F66-V70 HydrophobicContact CE1-CG2 3.9Å; F66-V70 HydrophobicContact CZ-CG2 4.23Å; F66-V70 WeakPolarHBondContact O-CG2 3.41Å; F66-V70 PolarHBondContact O-N 2.81Å; F66-I406 HydrophobicContact CE2-CD1 3.99Å; F66-I406 HydrophobicContact CE2-CG2 4.24Å; F66-I406 HydrophobicContact CZ-CG2 4.03Å; F66-I406 WeakPolarHBondContact CZ-O 3.17Å; F66-T409 HydrophobicContact CD2-CG2 4.3Å; F66-T409 HydrophobicContact CE2-CG2 3.55Å; F66-T409 HydrophobicContact CZ-CG2 3.91Å; F66-F413 HydrophobicContact CD1-CB 3.94Å; F66-F413 HydrophobicContact CD1-CD1 4.45Å; F66-F413 AromaticContact CD1-CD2 3.77Å; F66-F413 HydrophobicContact CD1-CD2 3.77Å; F66-F413 HydrophobicContact CD1-CE2 4.41Å; F66-F413 AromaticContact CD1-CG 3.79Å; F66-F413 HydrophobicContact CD1-CG 3.79Å; F66-F413 HydrophobicContact CD2-CD2 4.34Å; F66-F413 HydrophobicContact CD2-CE2 4.29Å; F66-F413 HydrophobicContact CE1-CB 4.02Å; F66-F413 AromaticContact CE1-CD2 3.82Å; F66-F413 HydrophobicContact CE1-CD2 3.82Å; F66-F413 HydrophobicContact CE1-CG 4.1Å; F66-F413 HydrophobicContact CE2-CD2 4.38Å; F66-F413 HydrophobicContact CG-CD2 4.05Å; F66-F413 HydrophobicContact CG-CE2 4.24Å; F66-F413 HydrophobicContact CG-CG 4.29Å; F66-F413 HydrophobicContact CZ-CD2 4.13Å; F66-V416 HydrophobicContact CD1-CB 4.18Å; F66-V416 HydrophobicContact CD1-CG1 4.12Å; F66-V416 HydrophobicContact CD1-CG2 4Å; F66-V416 HydrophobicContact CE1-CB 4.4Å; F66-V416 HydrophobicContact CE1-CG1 4.28Å
67	K	93.7	Very high	91.1	Very high	103 Å²	103	64 Å²	64	45%	0.448	33%	0.331	S	S	.	.	H	α-helix	trans	-58.9	-42.7	171.5	-75.2	-179.7	178	-178.7	0	111.9	V63 P64 V70 A71 E415 V416	V63-K67 HydrophobicContact CG1-CD 4.2Å; V63-K67 HydrophobicContact CG1-CG 4.43Å; V63-K67 WeakPolarHBondContact O-CG 3.09Å; V63-K67 PolarHBondContact O-N 3.02Å; P64-K67 WeakPolarHBondContact O-CB 3.22Å; P64-K67 PolarHBondContact O-N 3.07Å; K67-V70 PolarHBondContact O-N 3.32Å; K67-A71 WeakPolarHBondContact O-CB 3.49Å; K67-A71 PolarHBondContact O-N 3.23Å; K67-E415 WeakPolarHBondContact CE-O 3.38Å; K67-V416 HydrophobicContact CD-CG2 4.34Å; K67-V416 HydrophobicContact CG-CB 4.45Å; K67-V416 HydrophobicContact CG-CG1 4.18Å; K67-V416 HydrophobicContact CG-CG2 3.52Å
68	C	94.9	Very high	92	Very high	85 Å²	85	62.2 Å²	62.2	57%	0.574	33%	0.327	S	S	*	.	H	α-helix	trans	-62.9	-43.3	175.2	-69.4	0	0	0	0	112.2	P64 L65 F66 A71 F72	P64-C68 PolarHBondContact O-N 2.75Å; P64-C68 PolarHBondContact O-SG 2.9Å; L65-C68 WeakPolarHBondContact O-CB 3.46Å; L65-C68 PolarHBondContact O-N 3.41Å; F66-C68 VanDerWaalsContact C-N 3.34Å; F66-C68 PolarHBondContact O-N 3.09Å; C68-A71 PolarHBondContact O-N 3Å; C68-F72 WeakPolarHBondContact O-CB 3.27Å; C68-F72 PolarHBondContact O-N 3.3Å
69	L	94.9	Very high	92.7	Very high	77 Å²	77	61 Å²	61	40%	0.403	33%	0.326	S	S	.	.	H	α-helix	trans	-63.2	-42.8	176.5	-69.9	173.8	0	0	0	112	L65 F66 F72 C73 I406	L65-L69 WeakPolarHBondContact O-CG 3.15Å; L65-L69 PolarHBondContact O-N 2.71Å; F66-L69 PolarHBondContact O-N 3.01Å; L69-F72 PolarHBondContact O-N 3.01Å; L69-C73 PolarHBondContact O-N 3.37Å; L69-C73 PolarHBondContact O-SG 3.2Å; L69-I406 HydrophobicContact CB-CD1 4.11Å; L69-I406 HydrophobicContact CD1-CD1 4.3Å
70	V	95.1	Very high	93.3	Very high	6 Å²	6	59.1 Å²	59.1	4%	0.036	31%	0.312	C	S	.	.	H	α-helix	trans	-61.6	-50.5	174.1	169.7	0	0	0	0	110	F66 K67 F72 C73 L74 I406 V416 I418	F66-V70 HydrophobicContact CD1-CG2 4.18Å; F66-V70 HydrophobicContact CE1-CG2 3.9Å; F66-V70 HydrophobicContact CZ-CG2 4.23Å; F66-V70 WeakPolarHBondContact O-CG2 3.41Å; F66-V70 PolarHBondContact O-N 2.81Å; K67-V70 PolarHBondContact O-N 3.32Å; V70-F72 VanDerWaalsContact C-N 3.29Å; V70-F72 PolarHBondContact O-N 2.86Å; V70-C73 CarbonylContact O-C 3.59Å; V70-C73 WeakPolarHBondContact O-CA 3.4Å; V70-C73 WeakPolarHBondContact O-CB 3.48Å; V70-C73 PolarHBondContact O-N 3.24Å; V70-L74 HydrophobicContact CG1-CD1 4.08Å; V70-L74 HydrophobicContact CG1-CG 4.21Å; V70-L74 VanDerWaalsContact O-CG 3.31Å; V70-L74 WeakPolarHBondContact O-CG 3.4Å; V70-L74 PolarHBondContact O-N 3.21Å; V70-I406 HydrophobicContact CG2-CG2 3.67Å; V70-V416 HydrophobicContact CB-CG1 4.32Å; V70-V416 HydrophobicContact CG1-CG1 4.4Å; V70-V416 HydrophobicContact CG2-CG1 3.95Å; V70-I418 HydrophobicContact CG1-CG1 4Å; V70-I418 HydrophobicContact CG2-CD1 4.29Å; V70-I418 HydrophobicContact CG2-CG1 4.33Å
71	A	95.6	Very high	93.8	Very high	49 Å²	49	56.3 Å²	56.3	41%	0.405	30%	0.295	S	S	.	.	H	α-helix	trans	-56.5	-42.2	178.8	0	0	0	0	0	112.4	K67 C68 L74 I75	K67-A71 WeakPolarHBondContact O-CB 3.49Å; K67-A71 PolarHBondContact O-N 3.23Å; C68-A71 PolarHBondContact O-N 3Å; A71-L74 PolarHBondContact O-N 3.25Å; A71-I75 WeakPolarHBondContact O-CG1 3.17Å; A71-I75 PolarHBondContact O-N 3.44Å; A71-I75 VanDerWaalsContact O-N 3.08Å
72	F	95.6	Very high	94.3	Very high	124 Å²	124	55.6 Å²	55.6	54%	0.544	30%	0.296	S	S	.	.	H	α-helix	trans	-62.5	-43.8	174.6	-176.1	-108.1	0	0	0	112.4	C68 L69 V70 L74 I75 I76	C68-F72 WeakPolarHBondContact O-CB 3.27Å; C68-F72 PolarHBondContact O-N 3.3Å; L69-F72 PolarHBondContact O-N 3.01Å; V70-F72 VanDerWaalsContact C-N 3.29Å; V70-F72 PolarHBondContact O-N 2.86Å; F72-L74 VanDerWaalsContact C-N 3.32Å; F72-L74 PolarHBondContact O-N 3.42Å; F72-I75 PolarHBondContact O-N 2.98Å; F72-I76 HydrophobicContact CD1-CD1 3.68Å; F72-I76 HydrophobicContact CE1-CD1 3.23Å; F72-I76 HydrophobicContact CE1-CG1 4.37Å; F72-I76 HydrophobicContact CE2-CD1 4.28Å; F72-I76 HydrophobicContact CG-CD1 4.39Å; F72-I76 HydrophobicContact CZ-CD1 3.57Å; F72-I76 HydrophobicContact CZ-CG1 4.4Å; F72-I76 WeakPolarHBondContact O-CG1 3.47Å; F72-I76 PolarHBondContact O-N 2.89Å
73	C	95.8	Very high	94.6	Very high	6 Å²	6	53.4 Å²	53.4	4%	0.041	28%	0.284	C	S	.	.	H	α-helix	trans	-62.3	-38.4	174.7	-68.5	0	0	0	0	112.2	L69 V70 I76 S77 F398 F402	L69-C73 PolarHBondContact O-N 3.37Å; L69-C73 PolarHBondContact O-SG 3.2Å; V70-C73 CarbonylContact O-C 3.59Å; V70-C73 WeakPolarHBondContact O-CA 3.4Å; V70-C73 WeakPolarHBondContact O-CB 3.48Å; V70-C73 PolarHBondContact O-N 3.24Å; C73-I76 PolarHBondContact O-N 3.17Å; C73-S77 WeakPolarHBondContact O-CB 3.32Å; C73-S77 PolarHBondContact O-N 3.17Å; C73-F398 HydrophobicContact CB-CD2 4.5Å; C73-F398 HydrophobicContact CB-CE2 3.99Å; C73-F398 WeakPolarHBondContact O-CE2 3.29Å; C73-F402 HydrophobicContact CB-CB 4.48Å; C73-F402 HydrophobicContact CB-CD2 3.4Å; C73-F402 VanDerWaalsContact CB-CD2 3.4Å; C73-F402 HydrophobicContact CB-CE2 3.84Å; C73-F402 HydrophobicContact CB-CG 4.12Å
74	L	95.8	Very high	94.8	Very high	29 Å²	29	53.4 Å²	53.4	15%	0.152	29%	0.286	C	S	.	.	H	α-helix	trans	-63.7	-43.1	177.2	-66.4	179.7	0	0	0	111.9	V70 A71 F72 S77 L78 I418 P419 W421 S422	V70-L74 HydrophobicContact CG1-CD1 4.08Å; V70-L74 HydrophobicContact CG1-CG 4.21Å; V70-L74 VanDerWaalsContact O-CG 3.31Å; V70-L74 WeakPolarHBondContact O-CG 3.4Å; V70-L74 PolarHBondContact O-N 3.21Å; A71-L74 PolarHBondContact O-N 3.25Å; F72-L74 VanDerWaalsContact C-N 3.32Å; F72-L74 PolarHBondContact O-N 3.42Å; L74-S77 WeakPolarHBondContact O-CB 3.37Å; L74-S77 PolarHBondContact O-N 3.46Å; L74-L78 PolarHBondContact O-N 2.78Å; L74-L78 VanDerWaalsContact O-N 3.14Å; L74-I418 HydrophobicContact CD2-CG2 4.48Å; L74-P419 HydrophobicContact CD1-CG 3.92Å; L74-P419 HydrophobicContact CD2-CG 3.82Å; L74-W421 HydrophobicContact CB-CH2 3.86Å; L74-W421 HydrophobicContact CB-CZ2 4.24Å; L74-W421 HydrophobicContact CD1-CZ2 4.41Å; L74-W421 HydrophobicContact CD2-CH2 3.88Å; L74-W421 HydrophobicContact CD2-CZ2 4.01Å; L74-W421 HydrophobicContact CG-CH2 4.37Å; L74-W421 HydrophobicContact CG-CZ2 4.44Å; L74-S422 VanDerWaalsContact CD2-OG 3.23Å; L74-S422 WeakPolarHBondContact CD2-OG 3.34Å
75	I	96	Very high	94.9	Very high	104 Å²	104	53.6 Å²	53.6	53%	0.533	28%	0.283	S	S	.	.	H	α-helix	trans	-60.9	-48.2	174.9	-66.1	165.8	0	0	0	110.1	A71 F72 S77 L78 L79	A71-I75 WeakPolarHBondContact O-CG1 3.17Å; A71-I75 PolarHBondContact O-N 3.44Å; A71-I75 VanDerWaalsContact O-N 3.08Å; F72-I75 PolarHBondContact O-N 2.98Å; I75-S77 VanDerWaalsContact C-N 3.32Å; I75-S77 PolarHBondContact O-N 3.08Å; I75-L78 WeakPolarHBondContact O-CB 3.3Å; I75-L78 PolarHBondContact O-N 3.44Å; I75-L79 HydrophobicContact CG2-CD1 4.39Å; I75-L79 WeakPolarHBondContact O-CG 3.37Å; I75-L79 PolarHBondContact O-N 2.9Å
76	I	95.5	Very high	95	Very high	15 Å²	15	52.1 Å²	52.1	8%	0.077	27%	0.271	C	S	.	.	H	α-helix	trans	-61.3	-42.1	178	-69	170.3	0	0	0	111.3	F72 C73 L78 L79 V80 I394 F398	F72-I76 HydrophobicContact CD1-CD1 3.68Å; F72-I76 HydrophobicContact CE1-CD1 3.23Å; F72-I76 HydrophobicContact CE1-CG1 4.37Å; F72-I76 HydrophobicContact CE2-CD1 4.28Å; F72-I76 HydrophobicContact CG-CD1 4.39Å; F72-I76 HydrophobicContact CZ-CD1 3.57Å; F72-I76 HydrophobicContact CZ-CG1 4.4Å; F72-I76 WeakPolarHBondContact O-CG1 3.47Å; F72-I76 PolarHBondContact O-N 2.89Å; C73-I76 PolarHBondContact O-N 3.17Å; I76-L78 PolarHBondContact O-N 3.25Å; I76-L79 PolarHBondContact O-N 3.41Å; I76-L79 VanDerWaalsContact O-N 3.07Å; I76-V80 HydrophobicContact CG2-CG2 3.98Å; I76-V80 WeakPolarHBondContact O-CG2 3.46Å; I76-V80 PolarHBondContact O-N 3.46Å; I76-I394 HydrophobicContact CB-CG2 4.45Å; I76-I394 HydrophobicContact CD1-CG2 4.24Å; I76-I394 HydrophobicContact CG1-CG2 4.27Å; I76-I394 HydrophobicContact CG2-CG2 3.36Å; I76-F398 HydrophobicContact CB-CD2 3.9Å; I76-F398 HydrophobicContact CB-CE2 4.25Å; I76-F398 HydrophobicContact CB-CG 4.34Å; I76-F398 HydrophobicContact CG2-CB 3.72Å; I76-F398 HydrophobicContact CG2-CD1 3.98Å; I76-F398 HydrophobicContact CG2-CD2 3.51Å; I76-F398 HydrophobicContact CG2-CE2 4.13Å; I76-F398 HydrophobicContact CG2-CG 3.43Å; I76-F398 VanDerWaalsContact CG2-CG 3.43Å
77	S	95.4	Very high	95.1	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.007	27%	0.271	C	S	.	.	H	α-helix	trans	-55.5	-41.1	177.3	-168	0	0	0	0	111.5	C73 L74 I75 F81	C73-S77 WeakPolarHBondContact O-CB 3.32Å; C73-S77 PolarHBondContact O-N 3.17Å; L74-S77 WeakPolarHBondContact O-CB 3.37Å; L74-S77 PolarHBondContact O-N 3.46Å; I75-S77 VanDerWaalsContact C-N 3.32Å; I75-S77 PolarHBondContact O-N 3.08Å; S77-F81 VanDerWaalsContact O-CB 3.24Å; S77-F81 WeakPolarHBondContact O-CB 3.38Å; S77-F81 PolarHBondContact O-N 2.9Å
78	L	96	Very high	95.1	Very high	74 Å²	74	48.5 Å²	48.5	39%	0.387	26%	0.256	S	S	.	.	H	α-helix	trans	-67.4	-43.3	175.4	-69.8	168.7	0	0	0	111.9	L74 I75 I76 V80 F81 I82 W421 I426	L74-L78 PolarHBondContact O-N 2.78Å; L74-L78 VanDerWaalsContact O-N 3.14Å; I75-L78 WeakPolarHBondContact O-CB 3.3Å; I75-L78 PolarHBondContact O-N 3.44Å; I76-L78 PolarHBondContact O-N 3.25Å; L78-V80 PolarHBondContact O-N 3.16Å; L78-F81 PolarHBondContact O-N 3.32Å; L78-I82 WeakPolarHBondContact O-CB 3.32Å; L78-I82 WeakPolarHBondContact O-CD1 3.28Å; L78-I82 VanDerWaalsContact O-CG1 3.22Å; L78-I82 WeakPolarHBondContact O-CG1 3.38Å; L78-I82 PolarHBondContact O-N 3.3Å; L78-W421 HydrophobicContact CD1-CH2 3.97Å; L78-W421 HydrophobicContact CD1-CZ3 4.42Å; L78-W421 HydrophobicContact CD2-CE3 4.33Å; L78-W421 HydrophobicContact CD2-CH2 4.1Å; L78-W421 HydrophobicContact CD2-CZ3 3.73Å; L78-W421 HydrophobicContact CG-CH2 3.8Å; L78-W421 HydrophobicContact CG-CZ3 3.77Å; L78-I426 HydrophobicContact CD2-CD1 3.89Å
79	L	95.5	Very high	95.1	Very high	60 Å²	60	49.2 Å²	49.2	31%	0.314	25%	0.254	S	S	.	.	H	α-helix	trans	-62.1	-44.9	177.9	-63.7	178	0	0	0	112	I75 I76 F81 I82 E83 L390	I75-L79 HydrophobicContact CG2-CD1 4.39Å; I75-L79 WeakPolarHBondContact O-CG 3.37Å; I75-L79 PolarHBondContact O-N 2.9Å; I76-L79 PolarHBondContact O-N 3.41Å; I76-L79 VanDerWaalsContact O-N 3.07Å; L79-F81 VanDerWaalsContact C-N 3.32Å; L79-F81 PolarHBondContact O-N 3.43Å; L79-I82 PolarHBondContact O-N 2.81Å; L79-E83 WeakPolarHBondContact O-CB 3.29Å; L79-E83 PolarHBondContact O-N 2.87Å; L79-L390 HydrophobicContact CB-CD1 4.27Å
80	V	94.2	Very high	95.1	Very high	22 Å²	22	46.4 Å²	46.4	13%	0.133	24%	0.24	C	C	.	.	H	α-helix	trans	-63.5	-40.6	176.5	174	0	0	0	0	110.8	I76 L78 G84 L390 V395 F398 I430	I76-V80 HydrophobicContact CG2-CG2 3.98Å; I76-V80 WeakPolarHBondContact O-CG2 3.46Å; I76-V80 PolarHBondContact O-N 3.46Å; L78-V80 PolarHBondContact O-N 3.16Å; V80-G84 PolarHBondContact O-N 2.83Å; V80-L390 HydrophobicContact CG2-CD1 3.99Å; V80-V395 HydrophobicContact CG1-CG2 4.05Å; V80-V395 HydrophobicContact CG2-CG2 3.78Å; V80-F398 HydrophobicContact CG2-CD1 4.32Å; V80-I430 HydrophobicContact CG1-CD1 4.21Å
81	F	95.1	Very high	95	Very high	54 Å²	54	46.5 Å²	46.5	24%	0.237	24%	0.24	C	C	.	.	H	α-helix	trans	-63.9	-49.4	176.5	179	-112.9	0	0	0	112.3	S77 L78 L79 E83 G84 I85 I426 M429 I430	S77-F81 VanDerWaalsContact O-CB 3.24Å; S77-F81 WeakPolarHBondContact O-CB 3.38Å; S77-F81 PolarHBondContact O-N 2.9Å; L78-F81 PolarHBondContact O-N 3.32Å; L79-F81 VanDerWaalsContact C-N 3.32Å; L79-F81 PolarHBondContact O-N 3.43Å; F81-E83 VanDerWaalsContact C-N 3.32Å; F81-E83 PolarHBondContact O-N 3.5Å; F81-G84 PolarHBondContact O-N 3.41Å; F81-G84 VanDerWaalsContact O-N 3.16Å; F81-I85 HydrophobicContact CD1-CG1 4.41Å; F81-I85 HydrophobicContact CD2-CG1 4.04Å; F81-I85 HydrophobicContact CE1-CG1 4.01Å; F81-I85 HydrophobicContact CE2-CD1 3.75Å; F81-I85 HydrophobicContact CE2-CG1 3.59Å; F81-I85 HydrophobicContact CG-CG1 4.43Å; F81-I85 HydrophobicContact CZ-CD1 3.93Å; F81-I85 HydrophobicContact CZ-CG1 3.58Å; F81-I85 WeakPolarHBondContact O-CG1 3.36Å; F81-I85 PolarHBondContact O-N 3.09Å; F81-I426 HydrophobicContact CB-CD1 4Å; F81-I426 HydrophobicContact CB-CG1 4.26Å; F81-I426 HydrophobicContact CB-CG2 3.77Å; F81-I426 HydrophobicContact CD1-CD1 4.31Å; F81-I426 HydrophobicContact CD1-CG1 4.26Å; F81-I426 HydrophobicContact CD2-CB 4.31Å; F81-I426 HydrophobicContact CD2-CG1 4.07Å; F81-I426 HydrophobicContact CD2-CG2 3.88Å; F81-I426 HydrophobicContact CG-CD1 4.09Å; F81-I426 HydrophobicContact CG-CG1 3.93Å; F81-I426 HydrophobicContact CG-CG2 4.03Å; F81-M429 HydrophobicContact CE2-CB 3.77Å; F81-M429 HydrophobicContact CE2-CG 4.44Å; F81-I430 HydrophobicContact CD2-CD1 4.42Å; F81-I430 HydrophobicContact CD2-CG1 4.06Å
82	I	95.6	Very high	94.9	Very high	103 Å²	103	48.9 Å²	48.9	53%	0.528	25%	0.246	S	C	.	.	H	α-helix	trans	-58.5	-45.5	179.1	-69.9	163.8	0	0	0	110.5	L78 L79 I85 Y86	L78-I82 WeakPolarHBondContact O-CB 3.32Å; L78-I82 WeakPolarHBondContact O-CD1 3.28Å; L78-I82 VanDerWaalsContact O-CG1 3.22Å; L78-I82 WeakPolarHBondContact O-CG1 3.38Å; L78-I82 PolarHBondContact O-N 3.3Å; L79-I82 PolarHBondContact O-N 2.81Å; I82-I85 PolarHBondContact O-N 2.87Å; I82-Y86 VanDerWaalsContact O-CB 3.23Å; I82-Y86 WeakPolarHBondContact O-CB 3.3Å; I82-Y86 PolarHBondContact O-N 3.06Å
83	E	94.1	Very high	94.9	Very high	24 Å²	24	47 Å²	47	11%	0.112	24%	0.236	C	C	.	.	H	α-helix	trans	-61.2	-45.3	176.2	-177.6	73.7	178.4	0	0	111.7	L79 F81 Y86 M87 S386 L390 R391	L79-E83 WeakPolarHBondContact O-CB 3.29Å; L79-E83 PolarHBondContact O-N 2.87Å; F81-E83 VanDerWaalsContact C-N 3.32Å; F81-E83 PolarHBondContact O-N 3.5Å; E83-Y86 WeakPolarHBondContact O-CB 3.36Å; E83-Y86 PolarHBondContact O-N 3.22Å; E83-M87 HydrophobicContact CG-CE 4.16Å; E83-M87 WeakPolarHBondContact O-CG 3.4Å; E83-M87 PolarHBondContact O-N 3.43Å; E83-S386 PolarHBondContact OE1-OG 3.35Å; E83-L390 HydrophobicContact CB-CD2 3.64Å; E83-L390 HydrophobicContact CG-CD2 3.79Å; E83-R391 IonicContact OE1-CZ 3.55Å; E83-R391 IonicContact OE1-NH1 2.75Å; E83-R391 PolarHBondContact OE1-NH1 2.88Å
84	G	93.5	Very high	94.7	Very high	8 Å²	8	47.2 Å²	47.2	8%	0.082	24%	0.237	C	C	.	.	H	α-helix	trans	-58	-51.6	176.1	0	0	0	0	0	112.2	V80 F81 Y86 M87 N88	V80-G84 PolarHBondContact O-N 2.83Å; F81-G84 PolarHBondContact O-N 3.41Å; F81-G84 VanDerWaalsContact O-N 3.16Å; G84-Y86 VanDerWaalsContact C-N 3.35Å; G84-Y86 PolarHBondContact O-N 3.27Å; G84-M87 PolarHBondContact O-N 3.37Å; G84-N88 PolarHBondContact O-N 3.27Å; G84-N88 PolarHBondContact O-ND2 3.44Å
85	I	94.7	Very high	94.5	Very high	57 Å²	57	51.8 Å²	51.8	29%	0.292	26%	0.256	S	S	.	.	H	α-helix	trans	-62.1	-43.6	178.2	-65.4	-58.3	0	0	0	110.9	F81 I82 M87 N88 L89	F81-I85 HydrophobicContact CD1-CG1 4.41Å; F81-I85 HydrophobicContact CD2-CG1 4.04Å; F81-I85 HydrophobicContact CE1-CG1 4.01Å; F81-I85 HydrophobicContact CE2-CD1 3.75Å; F81-I85 HydrophobicContact CE2-CG1 3.59Å; F81-I85 HydrophobicContact CG-CG1 4.43Å; F81-I85 HydrophobicContact CZ-CD1 3.93Å; F81-I85 HydrophobicContact CZ-CG1 3.58Å; F81-I85 WeakPolarHBondContact O-CG1 3.36Å; F81-I85 PolarHBondContact O-N 3.09Å; I82-I85 PolarHBondContact O-N 2.87Å; I85-M87 PolarHBondContact O-N 3.23Å; I85-N88 PolarHBondContact O-N 3.01Å; I85-L89 HydrophobicContact CG2-CD1 3.85Å; I85-L89 HydrophobicContact CG2-CG 4.08Å; I85-L89 WeakPolarHBondContact O-CG 3.21Å; I85-L89 PolarHBondContact O-N 2.95Å
86	Y	95.1	Very high	94.4	Very high	81 Å²	81	51.4 Å²	51.4	32%	0.318	26%	0.258	S	S	.	.	H	α-helix	trans	-54.3	-50.6	177.2	173.3	-105	0	0	0	112.3	I82 E83 G84 N88 L89 V90 R282	I82-Y86 VanDerWaalsContact O-CB 3.23Å; I82-Y86 WeakPolarHBondContact O-CB 3.3Å; I82-Y86 PolarHBondContact O-N 3.06Å; E83-Y86 WeakPolarHBondContact O-CB 3.36Å; E83-Y86 PolarHBondContact O-N 3.22Å; G84-Y86 VanDerWaalsContact C-N 3.35Å; G84-Y86 PolarHBondContact O-N 3.27Å; Y86-N88 VanDerWaalsContact C-N 3.33Å; Y86-N88 PolarHBondContact O-N 3.41Å; Y86-L89 PolarHBondContact O-N 3.32Å; Y86-V90 HydrophobicContact CE1-CG2 4.2Å; Y86-V90 HydrophobicContact CE2-CG2 4.07Å; Y86-V90 WeakPolarHBondContact O-CG2 3.42Å; Y86-V90 PolarHBondContact O-N 3.35Å; Y86-R282 WeakPolarHBondContact OH-CD 3.32Å; Y86-R282 WeakPolarHBondContact OH-CG 3.17Å
87	M	94.8	Very high	94.3	Very high	13 Å²	13	56.8 Å²	56.8	6%	0.064	28%	0.281	C	S	.	.	H	α-helix	trans	-59.9	-43.6	178.3	-67.3	-177.7	-68.5	0	0	111.5	E83 G84 I85 L89 V90 V91 A274 E275 S278	E83-M87 HydrophobicContact CG-CE 4.16Å; E83-M87 WeakPolarHBondContact O-CG 3.4Å; E83-M87 PolarHBondContact O-N 3.43Å; G84-M87 PolarHBondContact O-N 3.37Å; I85-M87 PolarHBondContact O-N 3.23Å; M87-L89 PolarHBondContact O-N 3.08Å; M87-V90 PolarHBondContact O-N 2.77Å; M87-V91 WeakPolarHBondContact O-CG2 3.43Å; M87-V91 PolarHBondContact O-N 3.05Å; M87-A274 HydrophobicContact CB-CB 4.41Å; M87-E275 HydrophobicContact SD-CB 4.31Å; M87-E275 HydrophobicContact SD-CG 4.45Å; M87-S278 WeakPolarHBondContact CG-OG 3.38Å
88	N	94.4	Very high	94.1	Very high	27 Å²	27	62.4 Å²	62.4	14%	0.144	31%	0.307	C	S	.	.	H	α-helix	trans	-67.8	-34.2	179.1	-74.6	-84.6	0	0	0	112.7	G84 I85 Y86 V91 L92 Y270	G84-N88 PolarHBondContact O-N 3.27Å; G84-N88 PolarHBondContact O-ND2 3.44Å; I85-N88 PolarHBondContact O-N 3.01Å; Y86-N88 VanDerWaalsContact C-N 3.33Å; Y86-N88 PolarHBondContact O-N 3.41Å; N88-V91 PolarHBondContact O-N 3.02Å; N88-L92 WeakPolarHBondContact O-CB 3.43Å; N88-L92 PolarHBondContact O-N 3.31Å; N88-Y270 PolarHBondContact ND2-OH 3.35Å
89	L	95	Very high	93.7	Very high	100 Å²	100	64.9 Å²	64.9	52%	0.524	31%	0.311	S	S	.	.	H	α-helix	trans	-65.6	-38.5	173	-72	175.1	0	0	0	111.7	I85 Y86 M87 L92 Y93	I85-L89 HydrophobicContact CG2-CD1 3.85Å; I85-L89 HydrophobicContact CG2-CG 4.08Å; I85-L89 WeakPolarHBondContact O-CG 3.21Å; I85-L89 PolarHBondContact O-N 2.95Å; Y86-L89 PolarHBondContact O-N 3.32Å; M87-L89 PolarHBondContact O-N 3.08Å; L89-L92 PolarHBondContact O-N 2.87Å; L89-Y93 WeakPolarHBondContact O-CB 3.44Å; L89-Y93 PolarHBondContact O-N 2.81Å
90	V	94.8	Very high	93.4	Very high	17 Å²	17	66.6 Å²	66.6	10%	0.103	32%	0.316	C	S	.	.	H	α-helix	trans	-63.6	-44.6	174.1	175.1	0	0	0	0	110.7	Y86 M87 L92 Y93 V94 T281	Y86-V90 HydrophobicContact CE1-CG2 4.2Å; Y86-V90 HydrophobicContact CE2-CG2 4.07Å; Y86-V90 WeakPolarHBondContact O-CG2 3.42Å; Y86-V90 PolarHBondContact O-N 3.35Å; M87-V90 PolarHBondContact O-N 2.77Å; V90-L92 VanDerWaalsContact C-N 3.35Å; V90-L92 PolarHBondContact O-N 3.37Å; V90-Y93 WeakPolarHBondContact O-CB 3.32Å; V90-Y93 PolarHBondContact O-N 3.21Å; V90-V94 WeakPolarHBondContact O-CG2 3.39Å; V90-V94 PolarHBondContact O-N 3.02Å; V90-T281 HydrophobicContact CG1-CG2 4.27Å
91	V	93.1	Very high	93.3	Very high	8 Å²	8	66.5 Å²	66.5	5%	0.048	32%	0.316	C	S	.	.	H	α-helix	trans	-62.6	-42.9	176.3	175.6	0	0	0	0	111.4	M87 N88 Y93 V94 K95 M273 E277	M87-V91 WeakPolarHBondContact O-CG2 3.43Å; M87-V91 PolarHBondContact O-N 3.05Å; N88-V91 PolarHBondContact O-N 3.02Å; V91-Y93 VanDerWaalsContact C-N 3.32Å; V91-Y93 PolarHBondContact O-N 3.08Å; V91-V94 PolarHBondContact O-N 3.17Å; V91-K95 HydrophobicContact CG1-CD 4.26Å; V91-K95 WeakPolarHBondContact O-CG 3.19Å; V91-K95 PolarHBondContact O-N 2.84Å; V91-M273 HydrophobicContact CG1-CG 4.4Å; V91-M273 WeakPolarHBondContact CG2-O 3.05Å; V91-E277 HydrophobicContact CG2-CB 4.25Å; V91-E277 HydrophobicContact CG2-CG 4.24Å
92	L	93.7	Very high	93	Very high	100 Å²	100	67.4 Å²	67.4	52%	0.524	32%	0.321	S	S	.	.	H	α-helix	trans	-60.8	-43.8	175.9	-179	63.2	0	0	0	110.8	N88 L89 V90 K95 V96	N88-L92 WeakPolarHBondContact O-CB 3.43Å; N88-L92 PolarHBondContact O-N 3.31Å; L89-L92 PolarHBondContact O-N 2.87Å; V90-L92 VanDerWaalsContact C-N 3.35Å; V90-L92 PolarHBondContact O-N 3.37Å; L92-K95 PolarHBondContact O-N 3.28Å; L92-V96 HydrophobicContact CD1-CG2 3.86Å; L92-V96 HydrophobicContact CG-CG2 4.16Å; L92-V96 WeakPolarHBondContact O-CB 3.07Å; L92-V96 VanDerWaalsContact O-CG2 3.24Å; L92-V96 WeakPolarHBondContact O-CG2 3.14Å; L92-V96 PolarHBondContact O-N 3.12Å
93	Y	94.2	Very high	92.7	Very high	85 Å²	85	68.9 Å²	68.9	33%	0.333	32%	0.323	S	S	.	.	H	α-helix	trans	-58.7	-47.3	174.7	173.8	-95.7	0	0	0	112	L89 V90 V91 K95 V96 F97 R99	L89-Y93 WeakPolarHBondContact O-CB 3.44Å; L89-Y93 PolarHBondContact O-N 2.81Å; V90-Y93 WeakPolarHBondContact O-CB 3.32Å; V90-Y93 PolarHBondContact O-N 3.21Å; V91-Y93 VanDerWaalsContact C-N 3.32Å; V91-Y93 PolarHBondContact O-N 3.08Å; Y93-K95 VanDerWaalsContact C-N 3.31Å; Y93-K95 PolarHBondContact O-N 3.26Å; Y93-V96 PolarHBondContact O-N 3.47Å; Y93-F97 AromaticContact CD2-CD2 3.28Å; Y93-F97 HydrophobicContact CD2-CD2 3.28Å; Y93-F97 AromaticContact CD2-CE2 3.42Å; Y93-F97 HydrophobicContact CD2-CE2 3.42Å; Y93-F97 VanDerWaalsContact CD2-CE2 3.42Å; Y93-F97 HydrophobicContact CD2-CG 4.39Å; Y93-F97 AromaticContact CE2-CD2 3.33Å; Y93-F97 HydrophobicContact CE2-CD2 3.33Å; Y93-F97 AromaticContact CE2-CE2 3.49Å; Y93-F97 HydrophobicContact CE2-CE2 3.49Å; Y93-F97 VanDerWaalsContact CE2-CE2 3.49Å; Y93-F97 HydrophobicContact CE2-CG 4.11Å; Y93-F97 HydrophobicContact CE2-CZ 4.37Å; Y93-F97 AromaticContact CG-CD2 3.99Å; Y93-F97 HydrophobicContact CG-CD2 3.99Å; Y93-F97 HydrophobicContact CG-CE2 4.46Å; Y93-F97 WeakPolarHBondContact O-CB 3.46Å; Y93-F97 WeakPolarHBondContact O-CD2 3.09Å; Y93-F97 PolarHBondContact O-N 3.45Å; Y93-R99 PolarHBondContact OH-NE 3Å; Y93-R99 PolarHBondContact OH-NH1 3Å; Y93-R99 PolarHBondContact OH-NH2 3.14Å
94	V	92.5	Very high	92.6	Very high	10 Å²	10	71.7 Å²	71.7	6%	0.061	34%	0.342	C	S	.	.	H	α-helix	trans	-59.1	-43.5	177.1	171.5	0	0	0	0	111.3	V90 V91 E98 R99 T281	V90-V94 WeakPolarHBondContact O-CG2 3.39Å; V90-V94 PolarHBondContact O-N 3.02Å; V91-V94 PolarHBondContact O-N 3.17Å; V94-E98 CarbonylContact O-C 3.55Å; V94-E98 VanDerWaalsContact O-CA 3.29Å; V94-E98 WeakPolarHBondContact O-CA 3.47Å; V94-E98 PolarHBondContact O-N 3.23Å; V94-R99 PolarHBondContact O-N 2.79Å; V94-T281 HydrophobicContact CG2-CG2 3.61Å
95	K	91.9	Very high	92.6	Very high	125 Å²	125	72.7 Å²	72.7	54%	0.543	34%	0.343	S	S	.	.	H	α-helix	trans	-68.1	-47.2	179.3	-72.6	-178.8	179.1	-179.8	0	112.7	V91 L92 Y93 E98	V91-K95 HydrophobicContact CG1-CD 4.26Å; V91-K95 WeakPolarHBondContact O-CG 3.19Å; V91-K95 PolarHBondContact O-N 2.84Å; L92-K95 PolarHBondContact O-N 3.28Å; Y93-K95 VanDerWaalsContact C-N 3.31Å; Y93-K95 PolarHBondContact O-N 3.26Å; K95-E98 PolarHBondContact O-N 3.33Å
96	V	94	Very high	92.6	Very high	95 Å²	95	76.5 Å²	76.5	58%	0.576	35%	0.354	S	S	*	.	H	α-helix	trans	-67	-40.3	-176.8	169.7	0	0	0	0	111.8	L92 Y93 E98	L92-V96 HydrophobicContact CD1-CG2 3.86Å; L92-V96 HydrophobicContact CG-CG2 4.16Å; L92-V96 WeakPolarHBondContact O-CB 3.07Å; L92-V96 VanDerWaalsContact O-CG2 3.24Å; L92-V96 WeakPolarHBondContact O-CG2 3.14Å; L92-V96 PolarHBondContact O-N 3.12Å; Y93-V96 PolarHBondContact O-N 3.47Å; V96-E98 VanDerWaalsContact C-N 3.33Å
97	F	93.6	Very high	92.6	Very high	128 Å²	128	76.4 Å²	76.4	56%	0.561	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	9.7	179.4	-66.4	-79.1	0	0	0	113.2	Y93 R99	Y93-F97 AromaticContact CD2-CD2 3.28Å; Y93-F97 HydrophobicContact CD2-CD2 3.28Å; Y93-F97 AromaticContact CD2-CE2 3.42Å; Y93-F97 HydrophobicContact CD2-CE2 3.42Å; Y93-F97 VanDerWaalsContact CD2-CE2 3.42Å; Y93-F97 HydrophobicContact CD2-CG 4.39Å; Y93-F97 AromaticContact CE2-CD2 3.33Å; Y93-F97 HydrophobicContact CE2-CD2 3.33Å; Y93-F97 AromaticContact CE2-CE2 3.49Å; Y93-F97 HydrophobicContact CE2-CE2 3.49Å; Y93-F97 VanDerWaalsContact CE2-CE2 3.49Å; Y93-F97 HydrophobicContact CE2-CG 4.11Å; Y93-F97 HydrophobicContact CE2-CZ 4.37Å; Y93-F97 AromaticContact CG-CD2 3.99Å; Y93-F97 HydrophobicContact CG-CD2 3.99Å; Y93-F97 HydrophobicContact CG-CE2 4.46Å; Y93-F97 WeakPolarHBondContact O-CB 3.46Å; Y93-F97 WeakPolarHBondContact O-CD2 3.09Å; Y93-F97 PolarHBondContact O-N 3.45Å; F97-R99 HydrophobicContact CB-CG 4.04Å; F97-R99 PolarHBondContact O-N 3.33Å
98	E	89.9	Confident	92.4	Very high	120 Å²	120	80.1 Å²	80.1	56%	0.561	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.5	40	-176.9	-59.1	-173.5	167.6	0	0	113.6	V94 K95 V96 K100 K103	V94-E98 CarbonylContact O-C 3.55Å; V94-E98 VanDerWaalsContact O-CA 3.29Å; V94-E98 WeakPolarHBondContact O-CA 3.47Å; V94-E98 PolarHBondContact O-N 3.23Å; K95-E98 PolarHBondContact O-N 3.33Å; V96-E98 VanDerWaalsContact C-N 3.33Å; E98-K100 PolarHBondContact O-N 3.32Å; E98-K103 WeakPolarHBondContact O-CD 3.33Å; E98-K103 IonicContact OE2-NZ 4Å; E98-K103 PolarHBondContact OE2-NZ 2.71Å
99	R	89.2	Confident	92.3	Very high	126 Å²	126	81.5 Å²	81.5	48%	0.475	39%	0.385	S	S	.	.			trans	-78.2	53.3	-179.8	-71	-156.9	175.5	-163.6	-1.8	111.4	Y93 V94 F97 V104	Y93-R99 PolarHBondContact OH-NE 3Å; Y93-R99 PolarHBondContact OH-NH1 3Å; Y93-R99 PolarHBondContact OH-NH2 3.14Å; V94-R99 PolarHBondContact O-N 2.79Å; F97-R99 HydrophobicContact CB-CG 4.04Å; F97-R99 PolarHBondContact O-N 3.33Å; R99-V104 HydrophobicContact CB-CG2 4.19Å
100	K	89.1	Confident	92.1	Very high	96 Å²	96	78.2 Å²	78.2	42%	0.417	37%	0.368	S	S	.	.			trans	-60.1	152.3	175.4	-61.6	-165	167.8	-150.2	0	110.5	E98 E102 K103 V104 D333	E98-K100 PolarHBondContact O-N 3.32Å; K100-E102 WeakPolarHBondContact CB-OE2 3.4Å; K100-E102 PolarHBondContact O-N 3.45Å; K100-E102 VanDerWaalsContact O-N 3.14Å; K100-K103 PolarHBondContact O-N 3.5Å; K100-V104 PolarHBondContact O-N 3.17Å; K100-D333 IonicContact NZ-OD2 3.86Å; K100-D333 PolarHBondContact NZ-OD2 2.75Å
101	P	90.6	Very high	91.6	Very high	19 Å²	19	84.9 Å²	84.9	12%	0.123	40%	0.398	C	S	.	.	H	α-helix	trans	-49.6	-39	177.8	-29.6	36.9	0	0	0	113.7	K103 V104 Y105 F236 V329 F330 L331	P101-K103 PolarHBondContact O-N 3.15Å; P101-V104 PolarHBondContact O-N 2.98Å; P101-V104 VanDerWaalsContact O-N 3.15Å; P101-Y105 PolarHBondContact O-N 3.37Å; P101-F236 HydrophobicContact CB-CE1 3.94Å; P101-F236 HydrophobicContact CB-CZ 3.87Å; P101-V329 HydrophobicContact CB-CG1 3.93Å; P101-V329 HydrophobicContact CG-CG1 4.49Å; P101-F330 WeakPolarHBondContact CG-O 3.48Å; P101-L331 HydrophobicContact CB-CD2 3.62Å; P101-L331 HydrophobicContact CG-CD2 3.87Å
102	E	89.1	Confident	90.8	Very high	73 Å²	73	90.1 Å²	90.1	34%	0.341	42%	0.422	S	S	.	.	H	α-helix	trans	-65.5	-22.5	-179.8	-53.3	75.6	-165.6	0	0	113.5	K100 Y105 W107 F236	K100-E102 WeakPolarHBondContact CB-OE2 3.4Å; K100-E102 PolarHBondContact O-N 3.45Å; K100-E102 VanDerWaalsContact O-N 3.14Å; E102-Y105 CarbonylContact C-O 3.5Å; E102-Y105 VanDerWaalsContact O-O 3.07Å; E102-W107 HydrophobicContact CB-CB 4.26Å; E102-W107 HydrophobicContact CG-CB 4.41Å; E102-W107 HydrophobicContact CG-CD2 4.44Å; E102-W107 HydrophobicContact CG-CG 4.36Å; E102-F236 HydrophobicContact CB-CZ 4.38Å; E102-F236 HydrophobicContact CG-CZ 3.8Å
103	K	89.9	Confident	90.2	Very high	135 Å²	135	88.9 Å²	88.9	59%	0.587	42%	0.416	S	S	*	.	H	α-helix	trans	-91	-22.2	175.9	-62.6	-164.7	-165.7	170.6	0	112.7	E98 K100 P101	E98-K103 WeakPolarHBondContact O-CD 3.33Å; E98-K103 IonicContact OE2-NZ 4Å; E98-K103 PolarHBondContact OE2-NZ 2.71Å; K100-K103 PolarHBondContact O-N 3.5Å; P101-K103 PolarHBondContact O-N 3.15Å
104	V	92	Very high	89.4	Confident	83 Å²	83	93.1 Å²	93.1	50%	0.503	44%	0.442	S	S	.	.	H	α-helix	trans	-93.4	-38.6	-177.1	177.7	0	0	0	0	111.3	R99 K100 P101	R99-V104 HydrophobicContact CB-CG2 4.19Å; K100-V104 PolarHBondContact O-N 3.17Å; P101-V104 PolarHBondContact O-N 2.98Å; P101-V104 VanDerWaalsContact O-N 3.15Å
105	Y	94.1	Very high	88.7	Confident	29 Å²	29	101.3 Å²	101.3	11%	0.114	48%	0.48	C	S	.	.	S	Bend	trans	-111.7	147	176.6	-66.5	-83.1	0	0	0	108.9	P101 E102 W107 N240 V243 K327 V329	P101-Y105 PolarHBondContact O-N 3.37Å; E102-Y105 CarbonylContact C-O 3.5Å; E102-Y105 VanDerWaalsContact O-O 3.07Å; Y105-W107 PolarHBondContact O-N 3.01Å; Y105-N240 HydrophobicContact CD1-CB 4.34Å; Y105-V243 HydrophobicContact CD1-CG2 3.9Å; Y105-V243 HydrophobicContact CE1-CG2 3.83Å; Y105-K327 HydrophobicContact CE1-CD 4.09Å; Y105-V329 HydrophobicContact CD1-CG2 4.33Å; Y105-V329 HydrophobicContact CD2-CG1 4.32Å; Y105-V329 HydrophobicContact CD2-CG2 3.82Å; Y105-V329 HydrophobicContact CE1-CG2 4.12Å; Y105-V329 HydrophobicContact CE2-CG1 4.47Å; Y105-V329 HydrophobicContact CE2-CG2 3.59Å; Y105-V329 HydrophobicContact CG-CG2 4.18Å
106	R	94.1	Very high	88	Confident	137 Å²	137	99.6 Å²	99.6	52%	0.517	48%	0.476	S	S	.	.			trans	-65.2	120.3	178.6	-172.7	173.6	179.9	-164.2	-7.3	109.1	E108 H239 N240	R106-E108 IonicContact CZ-OE1 3.89Å; R106-E108 IonicContact CZ-OE2 3.58Å; R106-E108 IonicContact NE-OE1 3.15Å; R106-E108 PolarHBondContact NE-OE1 2.66Å; R106-E108 IonicContact NE-OE2 3.4Å; R106-E108 IonicContact NH2-OE1 2.75Å; R106-E108 PolarHBondContact NH2-OE1 3.19Å; R106-E108 VanDerWaalsContact NH2-OE1 3.15Å; R106-E108 IonicContact NH2-OE2 2.79Å; R106-E108 PolarHBondContact NH2-OE2 2.65Å; R106-H239 HydrophobicContact CB-CB 3.88Å; R106-H239 HydrophobicContact CG-CB 3.8Å; R106-H239 WeakPolarHBondContact O-CB 3.47Å; R106-N240 PolarHBondContact N-ND2 3.03Å; R106-N240 PolarHBondContact N-OD1 2.98Å; R106-N240 PolarHBondContact O-ND2 2.89Å
107	W	94	Very high	87.7	Confident	79 Å²	79	96.2 Å²	96.2	30%	0.299	46%	0.461	S	S	.	.			trans	-131.6	116.4	174.4	-175.1	90.6	0	0	0	108.9	E102 Y105 A109 H232 F236	E102-W107 HydrophobicContact CB-CB 4.26Å; E102-W107 HydrophobicContact CG-CB 4.41Å; E102-W107 HydrophobicContact CG-CD2 4.44Å; E102-W107 HydrophobicContact CG-CG 4.36Å; Y105-W107 PolarHBondContact O-N 3.01Å; W107-A109 HydrophobicContact CH2-CB 4.44Å; W107-H232 AromaticContact CZ2-ND1 3.91Å; W107-H232 PolarHBondContact NE1-O 3.12Å; W107-H232 VanDerWaalsContact NE1-O 3.07Å; W107-F236 HydrophobicContact CB-CD1 4.25Å; W107-F236 HydrophobicContact CB-CE1 3.85Å; W107-F236 HydrophobicContact CB-CE2 4.47Å; W107-F236 HydrophobicContact CB-CZ 3.99Å; W107-F236 AromaticContact CD1-CD2 3.32Å; W107-F236 AromaticContact CD1-CE2 3.21Å; W107-F236 AromaticContact CD1-CG 3.79Å; W107-F236 AromaticContact CD1-CZ 3.61Å; W107-F236 HydrophobicContact CG-CD2 4.36Å; W107-F236 HydrophobicContact CG-CE1 4.23Å; W107-F236 AromaticContact CG-CE2 3.98Å; W107-F236 HydrophobicContact CG-CE2 3.98Å; W107-F236 AromaticContact CG-CZ 3.93Å; W107-F236 HydrophobicContact CG-CZ 3.93Å; W107-F236 AromaticContact NE1-CD2 3.9Å; W107-F236 AromaticContact NE1-CE2 3.72Å
108	E	92	Very high	87.3	Confident	90 Å²	90	94 Å²	94	42%	0.421	45%	0.452	S	S	.	.			trans	-136.7	128.5	176.6	-73.4	162.7	-150.7	0	0	106.4	R106 M110 P235 H239	R106-E108 IonicContact CZ-OE1 3.89Å; R106-E108 IonicContact CZ-OE2 3.58Å; R106-E108 IonicContact NE-OE1 3.15Å; R106-E108 PolarHBondContact NE-OE1 2.66Å; R106-E108 IonicContact NE-OE2 3.4Å; R106-E108 IonicContact NH2-OE1 2.75Å; R106-E108 PolarHBondContact NH2-OE1 3.19Å; R106-E108 VanDerWaalsContact NH2-OE1 3.15Å; R106-E108 IonicContact NH2-OE2 2.79Å; R106-E108 PolarHBondContact NH2-OE2 2.65Å; E108-M110 PolarHBondContact O-N 2.95Å; E108-P235 WeakPolarHBondContact O-CB 3.43Å; E108-H239 PolarHBondContact O-CD2 3.39Å; E108-H239 PolarHBondContact O-NE2 3.13Å
109	A	92.1	Very high	87.1	Confident	56 Å²	56	94.1 Å²	94.1	46%	0.463	45%	0.453	S	S	.	.			trans	-54	140.2	179	0	0	0	0	0	110.4	W107 Q111	W107-A109 HydrophobicContact CH2-CB 4.44Å; A109-Q111 PolarHBondContact O-N 2.92Å
110	M	91.3	Very high	87.1	Confident	32 Å²	32	89.9 Å²	89.9	16%	0.158	44%	0.44	C	S	.	.			trans	-61.7	134	173.3	-62.3	-54.5	-69.1	0	0	108.8	E108 T120 Y121 W149 P235 V238	E108-M110 PolarHBondContact O-N 2.95Å; M110-T120 WeakPolarHBondContact CE-O 3.46Å; M110-Y121 HydrophobicContact CB-CD1 4.12Å; M110-Y121 HydrophobicContact CB-CE1 3.54Å; M110-Y121 HydrophobicContact CB-CE2 4.35Å; M110-Y121 HydrophobicContact CG-CD1 4.39Å; M110-Y121 HydrophobicContact CG-CE1 4.21Å; M110-Y121 PolarHBondContact O-OH 2.9Å; M110-W149 HydrophobicContact CG-CH2 4.12Å; M110-W149 HydrophobicContact CG-CZ3 4.49Å; M110-P235 HydrophobicContact CG-CG 4.2Å; M110-V238 HydrophobicContact CE-CG1 4.35Å; M110-V238 HydrophobicContact CE-CG2 4.44Å; M110-V238 HydrophobicContact SD-CB 4.32Å; M110-V238 HydrophobicContact SD-CG1 4.2Å; M110-V238 HydrophobicContact SD-CG2 4.13Å
111	Q	82.6	Confident	87.4	Confident	156 Å²	156	86.3 Å²	86.3	73%	0.729	43%	0.425	S	S	*	.			trans	-117.9	140.7	174.7	-67.1	-179.2	-3	0	0	108.1	A109 D113 T120	A109-Q111 PolarHBondContact O-N 2.92Å; Q111-D113 PolarHBondContact O-N 3.26Å; Q111-T120 PolarHBondContact O-OG1 3.42Å
112	E	77	Confident	87.6	Confident	119 Å²	119	86.3 Å²	86.3	56%	0.556	43%	0.425	S	S	*	.			trans	-69.4	113.9	166.6	-69.5	175	-164.6	0	0	106.7	Y121	E112-Y121 HydrophobicContact CG-CE2 3.66Å
113	D	80.4	Confident	88	Confident	74 Å²	74	84 Å²	84	40%	0.396	41%	0.414	S	S	.	.	B	Isolated β-bridge	trans	-71.1	143.8	169.4	178.4	-81	0	0	0	108.2	Q111 E115 L116 G117 T120	Q111-D113 PolarHBondContact O-N 3.26Å; D113-E115 PolarHBondContact O-N 3.16Å; D113-E115 WeakPolarHBondContact OD1-CA 3.15Å; D113-E115 WeakPolarHBondContact OD1-CB 3.49Å; D113-E115 PolarHBondContact OD1-N 3.35Å; D113-L116 HydrophobicContact CB-CB 4.15Å; D113-L116 PolarHBondContact OD1-N 3.36Å; D113-L116 VanDerWaalsContact OD1-N 3.12Å; D113-G117 VanDerWaalsContact O-CA 3.3Å; D113-G117 WeakPolarHBondContact O-CA 3.34Å; D113-G117 PolarHBondContact O-N 2.89Å; D113-T120 HydrophobicContact CB-CG2 3.37Å
114	I	77.9	Confident	88.5	Confident	173 Å²	173	77.5 Å²	77.5	89%	0.887	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-33.5	-174.2	-61.7	171.3	0	0	0	111.2
115	E	77.8	Confident	88.8	Confident	183 Å²	183	73.6 Å²	73.6	86%	0.855	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-42.5	-177.7	-58.5	-173.9	167.7	0	0	111.7	D113	D113-E115 PolarHBondContact O-N 3.16Å; D113-E115 WeakPolarHBondContact OD1-CA 3.15Å; D113-E115 WeakPolarHBondContact OD1-CB 3.49Å; D113-E115 PolarHBondContact OD1-N 3.35Å
116	L	78.2	Confident	89	Confident	89 Å²	89	72.2 Å²	72.2	47%	0.466	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-18.6	-176.1	-68.4	168.7	0	0	0	113.4	D113 H118 E119 T120	D113-L116 HydrophobicContact CB-CB 4.15Å; D113-L116 PolarHBondContact OD1-N 3.36Å; D113-L116 VanDerWaalsContact OD1-N 3.12Å; L116-H118 PolarHBondContact O-N 3.12Å; L116-E119 HydrophobicContact CB-CB 4.17Å; L116-E119 HydrophobicContact CD2-CB 4.38Å; L116-E119 WeakPolarHBondContact O-CB 3.28Å; L116-E119 WeakPolarHBondContact O-CG 3.2Å; L116-E119 PolarHBondContact O-N 2.84Å; L116-T120 HydrophobicContact CB-CG2 3.73Å; L116-T120 HydrophobicContact CD1-CG2 4.13Å
117	G	86.3	Confident	89.2	Confident	24 Å²	24	65.7 Å²	65.7	25%	0.247	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	51.3	-124.2	-177.8	0	0	0	0	0	112.5	D113 E119 T120	D113-G117 VanDerWaalsContact O-CA 3.3Å; D113-G117 WeakPolarHBondContact O-CA 3.34Å; D113-G117 PolarHBondContact O-N 2.89Å; G117-E119 PolarHBondContact O-N 2.93Å; G117-T120 PolarHBondContact O-OG1 3.08Å
118	H	86.2	Confident	89.3	Confident	80 Å²	80	61.9 Å²	61.9	37%	0.37	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-67.7	-15.1	177.4	-63.5	-178.9	0	0	0	113.8	L116 T120 Y121 P150 D152 R153	L116-H118 PolarHBondContact O-N 3.12Å; H118-T120 PolarHBondContact O-N 3.22Å; H118-Y121 WeakPolarHBondContact O-CB 3.18Å; H118-Y121 PolarHBondContact O-N 2.94Å; H118-P150 HydrophobicContact CB-CB 4.01Å; H118-P150 HydrophobicContact CB-CG 4.3Å; H118-D152 IonicContact CE1-OD1 2.78Å; H118-D152 IonicContact CG-OD1 2.86Å; H118-D152 IonicContact ND1-OD1 3.63Å; H118-D152 PolarHBondContact ND1-OD1 2.63Å; H118-D152 IonicContact ND1-OD2 3.75Å; H118-R153 HydrophobicContact CB-CG 4.48Å
119	E	84.8	Confident	89.5	Confident	124 Å²	124	58.2 Å²	58.2	58%	0.579	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-66.8	-18	-179.3	-47.9	-138.7	114.1	0	0	113.1	L116 G117 Y121 R153	L116-E119 HydrophobicContact CB-CB 4.17Å; L116-E119 HydrophobicContact CD2-CB 4.38Å; L116-E119 WeakPolarHBondContact O-CB 3.28Å; L116-E119 WeakPolarHBondContact O-CG 3.2Å; L116-E119 PolarHBondContact O-N 2.84Å; G117-E119 PolarHBondContact O-N 2.93Å; E119-Y121 PolarHBondContact O-N 3.29Å; E119-R153 IonicContact OE1-NH2 2.9Å; E119-R153 PolarHBondContact OE1-NH2 3.17Å
120	T	89.2	Confident	89.6	Confident	36 Å²	36	55.8 Å²	55.8	22%	0.221	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-67.1	-23.1	171.3	63.1	0	0	0	0	112.6	M110 Q111 D113 L116 G117 H118	M110-T120 WeakPolarHBondContact CE-O 3.46Å; Q111-T120 PolarHBondContact O-OG1 3.42Å; D113-T120 HydrophobicContact CB-CG2 3.37Å; L116-T120 HydrophobicContact CB-CG2 3.73Å; L116-T120 HydrophobicContact CD1-CG2 4.13Å; G117-T120 PolarHBondContact O-OG1 3.08Å; H118-T120 PolarHBondContact O-N 3.22Å
121	Y	95.1	Very high	89.7	Confident	21 Å²	21	56.1 Å²	56.1	8%	0.082	28%	0.281	C	S	.	.	S	Bend	trans	-84.5	123.2	179.5	-71.5	-106.9	0	0	0	109.9	M110 E112 H118 E119 W149 P150	M110-Y121 HydrophobicContact CB-CD1 4.12Å; M110-Y121 HydrophobicContact CB-CE1 3.54Å; M110-Y121 HydrophobicContact CB-CE2 4.35Å; M110-Y121 HydrophobicContact CG-CD1 4.39Å; M110-Y121 HydrophobicContact CG-CE1 4.21Å; M110-Y121 PolarHBondContact O-OH 2.9Å; E112-Y121 HydrophobicContact CG-CE2 3.66Å; H118-Y121 WeakPolarHBondContact O-CB 3.18Å; H118-Y121 PolarHBondContact O-N 2.94Å; E119-Y121 PolarHBondContact O-N 3.29Å; Y121-W149 AromaticContact CD1-CD2 3.94Å; Y121-W149 HydrophobicContact CD1-CD2 3.94Å; Y121-W149 AromaticContact CD1-CE2 3.77Å; Y121-W149 AromaticContact CD1-CE3 3.9Å; Y121-W149 HydrophobicContact CD1-CE3 3.9Å; Y121-W149 AromaticContact CD1-CH2 3.57Å; Y121-W149 HydrophobicContact CD1-CH2 3.57Å; Y121-W149 AromaticContact CD1-CZ2 3.6Å; Y121-W149 HydrophobicContact CD1-CZ2 3.6Å; Y121-W149 AromaticContact CD1-CZ3 3.72Å; Y121-W149 HydrophobicContact CD1-CZ3 3.72Å; Y121-W149 HydrophobicContact CE1-CE3 4.24Å; Y121-W149 HydrophobicContact CE1-CH2 4.25Å; Y121-W149 HydrophobicContact CE1-CZ3 4.03Å; Y121-W149 HydrophobicContact CG-CZ2 4.24Å; Y121-P150 HydrophobicContact CD1-CG 3.85Å; Y121-P150 HydrophobicContact CD2-CG 3.85Å; Y121-P150 HydrophobicContact CE1-CG 4.32Å; Y121-P150 HydrophobicContact CE2-CG 4.33Å; Y121-P150 HydrophobicContact CG-CG 3.59Å
122	P	96.4	Very high	90.1	Very high	19 Å²	19	51 Å²	51	12%	0.123	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-64	153.3	175.2	27.5	-37	0	0	0	111.3	V124 W149 N214 Y215 V234 V238	P122-V124 PolarHBondContact O-N 3.45Å; P122-W149 HydrophobicContact CG-CH2 4.35Å; P122-W149 HydrophobicContact CG-CZ2 3.79Å; P122-W149 PolarHBondContact O-NE1 3.29Å; P122-N214 HydrophobicContact CB-CB 4.02Å; P122-Y215 HydrophobicContact CB-CD2 3.72Å; P122-Y215 HydrophobicContact CB-CE2 3.49Å; P122-Y215 VanDerWaalsContact CB-CE2 3.49Å; P122-Y215 HydrophobicContact CG-CD2 3.74Å; P122-Y215 HydrophobicContact CG-CE2 3.49Å; P122-Y215 VanDerWaalsContact CG-CE2 3.49Å; P122-V234 HydrophobicContact CG-CG1 3.77Å; P122-V238 HydrophobicContact CG-CG2 3.85Å
123	M	97.5	Very high	90.5	Very high	24 Å²	24	47.2 Å²	47.2	12%	0.118	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-70.5	126	173.9	-68.2	-67.8	-62	0	0	109.7	R153 I155 L212 C213 N214 Y215	M123-R153 WeakPolarHBondContact CA-O 3.5Å; M123-R153 HydrophobicContact SD-CB 4.2Å; M123-R153 WeakPolarHBondContact SD-CD 3.34Å; M123-R153 HydrophobicContact SD-CG 4.41Å; M123-I155 HydrophobicContact CE-CD1 3.99Å; M123-I155 HydrophobicContact CE-CG1 4.25Å; M123-L212 WeakPolarHBondContact CB-O 3.43Å; M123-L212 WeakPolarHBondContact CG-O 3.39Å; M123-C213 HydrophobicContact CB-CB 4.45Å; M123-N214 PolarHBondContact N-OD1 3.32Å; M123-N214 VanDerWaalsContact N-OD1 3.08Å; M123-N214 PolarHBondContact O-N 3.41Å; M123-Y215 PolarHBondContact O-N 3.44Å
124	V	98.3	Very high	90.9	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	125.1	-178.9	-179.7	0	0	0	0	110.6	P122 V126 W149 R153 L154 I155 V217 L230 V234	P122-V124 PolarHBondContact O-N 3.45Å; V124-V126 HydrophobicContact CG1-CG2 4.33Å; V124-W149 HydrophobicContact CG2-CZ2 3.94Å; V124-R153 PolarHBondContact N-O 2.72Å; V124-L154 HydrophobicContact CB-CD1 4.24Å; V124-L154 HydrophobicContact CG1-CD1 4.31Å; V124-I155 PolarHBondContact O-N 3.24Å; V124-V217 HydrophobicContact CG1-CG2 3.91Å; V124-L230 HydrophobicContact CG1-CD1 4.22Å; V124-L230 HydrophobicContact CG1-CD2 4.05Å; V124-V234 HydrophobicContact CG2-CG2 4.27Å
125	L	98.5	Very high	91.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	132.1	168.2	-178.7	67.6	0	0	0	109.8	Q127 I155 Q157 M205 Y209 V210 C213 Y215 V216 V217	L125-Q127 HydrophobicContact CD2-CG 3.78Å; L125-Q127 HydrophobicContact CG-CG 3.95Å; L125-I155 CarbonylContact C-O 3Å; L125-I155 WeakPolarHBondContact CA-O 3.17Å; L125-I155 HydrophobicContact CD1-CB 4.12Å; L125-I155 HydrophobicContact CD1-CG2 4.01Å; L125-Q157 HydrophobicContact CD1-CB 3.81Å; L125-M205 HydrophobicContact CD2-SD 4.32Å; L125-Y209 HydrophobicContact CD1-CE2 4.19Å; L125-V210 HydrophobicContact CD1-CG2 4.36Å; L125-V210 HydrophobicContact CD2-CB 4.36Å; L125-V210 HydrophobicContact CD2-CG1 3.83Å; L125-V210 HydrophobicContact CD2-CG2 3.77Å; L125-C213 HydrophobicContact CB-CB 4.08Å; L125-Y215 PolarHBondContact N-O 3.45Å; L125-V216 HydrophobicContact CB-CB 4.21Å; L125-V216 HydrophobicContact CB-CG2 4.09Å; L125-V216 HydrophobicContact CD2-CB 4.39Å; L125-V216 HydrophobicContact CD2-CG2 3.81Å; L125-V216 HydrophobicContact CG-CG2 4.05Å; L125-V216 CarbonylContact O-C 3.51Å; L125-V216 VanDerWaalsContact O-CA 3.26Å; L125-V216 WeakPolarHBondContact O-CA 3.16Å; L125-V217 PolarHBondContact O-N 2.82Å
126	V	98.4	Very high	91.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	107.8	171.8	-178.1	0	0	0	0	108.7	V124 I128 A144 L147 L154 I155 V156 Q157 V217 F219	V124-V126 HydrophobicContact CG1-CG2 4.33Å; V126-I128 HydrophobicContact CG1-CG1 4.45Å; V126-A144 HydrophobicContact CG1-CB 3.95Å; V126-L147 HydrophobicContact CG1-CD1 4.44Å; V126-L147 HydrophobicContact CG2-CD1 3.95Å; V126-L154 HydrophobicContact CG2-CD1 3.73Å; V126-I155 PolarHBondContact N-O 3.14Å; V126-V156 HydrophobicContact CB-CG2 4.44Å; V126-V156 CarbonylContact O-C 3.57Å; V126-Q157 PolarHBondContact O-N 2.86Å; V126-V217 CarbonylContact C-O 3.02Å; V126-V217 HydrophobicContact CG2-CB 4.46Å; V126-F219 HydrophobicContact CG1-CD2 3.67Å; V126-F219 HydrophobicContact CG1-CE2 3.96Å
127	Q	98.1	Very high	92.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	131.2	178	-67.6	-170.4	-45.7	0	0	111.4	L125 Q157 L159 L201 V216 V217 F219	L125-Q127 HydrophobicContact CD2-CG 3.78Å; L125-Q127 HydrophobicContact CG-CG 3.95Å; Q127-Q157 CarbonylContact C-O 3.52Å; Q127-Q157 WeakPolarHBondContact CA-O 3.36Å; Q127-Q157 HydrophobicContact CG-CB 4.48Å; Q127-L159 HydrophobicContact CB-CD1 4.34Å; Q127-L159 HydrophobicContact CG-CD1 4.45Å; Q127-L201 HydrophobicContact CB-CD2 4.15Å; Q127-V216 HydrophobicContact CG-CG2 3.86Å; Q127-V217 PolarHBondContact N-O 2.88Å; Q127-F219 PolarHBondContact O-N 3.42Å
128	I	97.7	Very high	92.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	90.7	176	-44.5	174.4	0	0	0	108.9	V126 M130 I141 A144 V156 Q157 V158 L159 F219	V126-I128 HydrophobicContact CG1-CG1 4.45Å; I128-M130 HydrophobicContact CG2-CE 3.5Å; I128-M130 VanDerWaalsContact CG2-CE 3.5Å; I128-M130 HydrophobicContact CG2-CG 4.16Å; I128-I141 HydrophobicContact CD1-CG1 4.48Å; I128-A144 HydrophobicContact CD1-CB 3.4Å; I128-A144 HydrophobicContact CG1-CB 4.28Å; I128-V156 HydrophobicContact CD1-CG1 4.03Å; I128-Q157 PolarHBondContact N-O 2.98Å; I128-V158 HydrophobicContact CD1-CG2 4.49Å; I128-L159 PolarHBondContact O-N 3.41Å; I128-F219 WeakPolarHBondContact CA-O 3.48Å
129	P	96.4	Very high	93	Very high	12 Å²	12	34.4 Å²	34.4	8%	0.078	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	129.2	172	28.4	-33.7	0	0	0	111	K197 L201 I218 F219	P129-K197 HydrophobicContact CB-CG 4.18Å; P129-K197 HydrophobicContact CG-CD 4.27Å; P129-K197 HydrophobicContact CG-CG 4.18Å; P129-L201 HydrophobicContact CG-CD2 4.25Å; P129-I218 HydrophobicContact CG-CG2 4.47Å; P129-F219 WeakPolarHBondContact CD-O 3.37Å
130	M	93.8	Very high	93.5	Very high	5 Å²	5	28.6 Å²	28.6	3%	0.025	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	141.1	-179.9	-64.7	-163.4	168.6	0	0	111.2	I128 E133 L137 S140 I141 V158 L159 D161 V171 A221	I128-M130 HydrophobicContact CG2-CE 3.5Å; I128-M130 VanDerWaalsContact CG2-CE 3.5Å; I128-M130 HydrophobicContact CG2-CG 4.16Å; M130-E133 VanDerWaalsContact CA-OE2 3.29Å; M130-E133 WeakPolarHBondContact CA-OE2 3.4Å; M130-E133 WeakPolarHBondContact CB-OE2 3.41Å; M130-L137 HydrophobicContact CE-CB 4.23Å; M130-L137 HydrophobicContact SD-CB 4Å; M130-S140 WeakPolarHBondContact CE-OG 3.29Å; M130-I141 HydrophobicContact CE-CD1 4.04Å; M130-I141 HydrophobicContact CE-CG1 3.61Å; M130-I141 HydrophobicContact SD-CD1 4.25Å; M130-I141 HydrophobicContact SD-CG1 4.43Å; M130-V158 HydrophobicContact CG-CG1 4.42Å; M130-V158 HydrophobicContact SD-CG1 4.12Å; M130-L159 PolarHBondContact N-O 3.09Å; M130-D161 WeakPolarHBondContact O-CB 3.25Å; M130-D161 PolarHBondContact O-N 2.87Å; M130-V171 HydrophobicContact SD-CG2 4.4Å; M130-A221 HydrophobicContact CE-CB 4.25Å; M130-A221 HydrophobicContact CG-CB 3.96Å
131	Y	92.9	Very high	93.8	Very high	40 Å²	40	26.9 Å²	26.9	16%	0.157	13%	0.128	C	C	.	.	S	Bend	trans	-143.5	105	166.2	175.8	-107.9	0	0	0	112.4	E133 D161 T163 R193 W476 V478	Y131-E133 WeakPolarHBondContact CA-OE2 3.35Å; Y131-E133 PolarHBondContact N-OE1 3.3Å; Y131-E133 PolarHBondContact N-OE2 3.25Å; Y131-E133 PolarHBondContact O-N 2.96Å; Y131-D161 HydrophobicContact CD2-CB 4.32Å; Y131-D161 VanDerWaalsContact CD2-O 3.22Å; Y131-D161 WeakPolarHBondContact CD2-O 3.42Å; Y131-T163 HydrophobicContact CE2-CG2 4.05Å; Y131-R193 VanDerWaalsContact CD1-NH2 3.33Å; Y131-R193 VanDerWaalsContact CE2-NH2 3.32Å; Y131-R193 VanDerWaalsContact CZ-CZ 3.41Å; Y131-R193 PolarHBondContact OH-NH1 3.04Å; Y131-W476 HydrophobicContact CD1-CZ3 4.29Å; Y131-V478 HydrophobicContact CD1-CG1 4.28Å; Y131-V478 HydrophobicContact CD1-CG2 3.59Å; Y131-V478 HydrophobicContact CE1-CG2 3.34Å
132	N	91	Very high	93.9	Very high	47 Å²	47	25.9 Å²	25.9	25%	0.251	12%	0.124	S	C	.	.	S	Bend	trans	56.2	26.2	174.7	-66.6	-15.6	0	0	0	114.9	K134 S162 T163 D164 I167	N132-K134 PolarHBondContact O-N 3.22Å; N132-K134 VanDerWaalsContact O-N 3.13Å; N132-S162 PolarHBondContact N-OG 3.2Å; N132-S162 VanDerWaalsContact OD1-CA 3.27Å; N132-S162 WeakPolarHBondContact OD1-CA 3.09Å; N132-S162 WeakPolarHBondContact OD1-CB 3.47Å; N132-T163 PolarHBondContact ND2-OG1 2.79Å; N132-T163 PolarHBondContact OD1-N 3.44Å; N132-D164 PolarHBondContact OD1-N 2.79Å; N132-I167 HydrophobicContact CB-CD1 3.88Å; N132-I167 WeakPolarHBondContact O-CD1 3.17Å
133	E	85.5	Confident	93.9	Very high	41 Å²	41	25.1 Å²	25.1	19%	0.192	12%	0.119	C	C	.	.			trans	-88.6	70.6	179.9	-51.1	88.8	169.9	0	0	113.4	M130 Y131 E135 V136 L137 A221	M130-E133 VanDerWaalsContact CA-OE2 3.29Å; M130-E133 WeakPolarHBondContact CA-OE2 3.4Å; M130-E133 WeakPolarHBondContact CB-OE2 3.41Å; Y131-E133 WeakPolarHBondContact CA-OE2 3.35Å; Y131-E133 PolarHBondContact N-OE1 3.3Å; Y131-E133 PolarHBondContact N-OE2 3.25Å; Y131-E133 PolarHBondContact O-N 2.96Å; E133-E135 VanDerWaalsContact C-N 3.29Å; E133-E135 PolarHBondContact O-N 2.84Å; E133-V136 HydrophobicContact CB-CG2 3.51Å; E133-V136 HydrophobicContact CG-CG2 4.3Å; E133-V136 PolarHBondContact O-N 3.09Å; E133-L137 WeakPolarHBondContact O-CB 3.45Å; E133-L137 PolarHBondContact O-N 3.33Å; E133-A221 HydrophobicContact CB-CB 4.05Å; E133-A221 HydrophobicContact CG-CB 3.79Å
134	K	89	Confident	93.9	Very high	118 Å²	118	24 Å²	24	51%	0.513	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-43.2	-179.3	-175.5	175.3	179.9	171.5	0	113.6	N132 I167 L170	N132-K134 PolarHBondContact O-N 3.22Å; N132-K134 VanDerWaalsContact O-N 3.13Å; K134-I167 HydrophobicContact CB-CD1 4.04Å; K134-I167 HydrophobicContact CB-CG1 4.26Å; K134-L170 HydrophobicContact CG-CD1 4.25Å
135	E	86.1	Confident	93.9	Very high	72 Å²	72	24.5 Å²	24.5	34%	0.336	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-22.8	-169.7	-68.3	80	-179	0	0	114.4	E133	E133-E135 VanDerWaalsContact C-N 3.29Å; E133-E135 PolarHBondContact O-N 2.84Å
136	V	87.6	Confident	93.8	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.012	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.9	-12.6	-172	-65.5	0	0	0	0	113.6	E133 Q138 L139 S140 A221	E133-V136 HydrophobicContact CB-CG2 3.51Å; E133-V136 HydrophobicContact CG-CG2 4.3Å; E133-V136 PolarHBondContact O-N 3.09Å; V136-Q138 VanDerWaalsContact C-N 3.32Å; V136-Q138 PolarHBondContact O-N 2.94Å; V136-L139 PolarHBondContact O-N 3.14Å; V136-S140 PolarHBondContact O-N 3.38Å; V136-S140 PolarHBondContact O-OG 3.25Å; V136-S140 VanDerWaalsContact O-OG 3.05Å; V136-A221 WeakPolarHBondContact CB-O 3.46Å; V136-A221 HydrophobicContact CG2-CB 4.22Å; V136-A221 WeakPolarHBondContact CG2-O 3.14Å
137	L	92.2	Very high	93.7	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.016	14%	0.142	C	C	.	.	H	α-helix	trans	-53.8	-43.2	-174.8	73.1	91.1	0	0	0	113.9	M130 E133 L139 S140 I141 I167 L170 V171 E174	M130-L137 HydrophobicContact CE-CB 4.23Å; M130-L137 HydrophobicContact SD-CB 4Å; E133-L137 WeakPolarHBondContact O-CB 3.45Å; E133-L137 PolarHBondContact O-N 3.33Å; L137-L139 VanDerWaalsContact C-N 3.34Å; L137-L139 PolarHBondContact O-N 3.49Å; L137-S140 PolarHBondContact O-OG 3.32Å; L137-I141 WeakPolarHBondContact O-CB 3.4Å; L137-I141 VanDerWaalsContact O-CG1 3.27Å; L137-I141 WeakPolarHBondContact O-CG1 3.22Å; L137-I141 PolarHBondContact O-N 2.94Å; L137-I167 HydrophobicContact CD2-CG2 4.28Å; L137-L170 HydrophobicContact CD1-CB 4.35Å; L137-L170 HydrophobicContact CD2-CB 3.91Å; L137-L170 HydrophobicContact CD2-CD1 4.4Å; L137-V171 HydrophobicContact CD2-CG2 4.37Å; L137-E174 HydrophobicContact CD1-CB 4.36Å
138	Q	93.1	Very high	93.6	Very high	116 Å²	116	35 Å²	35	54%	0.542	16%	0.163	S	C	.	.	H	α-helix	trans	-69.6	-35.9	-178	-68.8	-178	-22.9	0	0	111.6	V136 G142	V136-Q138 VanDerWaalsContact C-N 3.32Å; V136-Q138 PolarHBondContact O-N 2.94Å; Q138-G142 WeakPolarHBondContact O-CA 3.44Å; Q138-G142 PolarHBondContact O-N 2.92Å
139	L	92.3	Very high	93.6	Very high	42 Å²	42	35.7 Å²	35.7	22%	0.22	17%	0.166	C	C	.	.	H	α-helix	trans	-72.1	-45.3	-179.6	-68.5	175.5	0	0	0	111.2	V136 L137 A143 Q224 A485 L486	V136-L139 PolarHBondContact O-N 3.14Å; L137-L139 VanDerWaalsContact C-N 3.34Å; L137-L139 PolarHBondContact O-N 3.49Å; L139-A143 WeakPolarHBondContact O-CB 3.43Å; L139-A143 PolarHBondContact O-N 3.1Å; L139-Q224 HydrophobicContact CB-CG 4.31Å; L139-A485 HydrophobicContact CD1-CB 4.23Å; L139-L486 HydrophobicContact CD1-CD1 3.77Å; L139-L486 HydrophobicContact CD1-CG 4.02Å; L139-L486 HydrophobicContact CG-CD1 4.31Å
140	S	93.9	Very high	93.5	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.014	17%	0.166	C	C	.	.	H	α-helix	trans	-71.1	-48.6	-179	46.6	0	0	0	0	112.6	M130 V136 L137 G142 A143 A144 A221	M130-S140 WeakPolarHBondContact CE-OG 3.29Å; V136-S140 PolarHBondContact O-N 3.38Å; V136-S140 PolarHBondContact O-OG 3.25Å; V136-S140 VanDerWaalsContact O-OG 3.05Å; L137-S140 PolarHBondContact O-OG 3.32Å; S140-G142 VanDerWaalsContact C-N 3.29Å; S140-G142 PolarHBondContact O-N 3.2Å; S140-A143 PolarHBondContact O-N 3.29Å; S140-A144 PolarHBondContact O-N 3.48Å; S140-A221 WeakPolarHBondContact CB-O 3.17Å; S140-A221 PolarHBondContact OG-O 2.82Å
141	I	96.6	Very high	93.4	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-57.9	-47.8	174.4	-65.1	170.5	0	0	0	109.4	I128 M130 L137 A143 A144 C145 V158 V171 E174 I185	I128-I141 HydrophobicContact CD1-CG1 4.48Å; M130-I141 HydrophobicContact CE-CD1 4.04Å; M130-I141 HydrophobicContact CE-CG1 3.61Å; M130-I141 HydrophobicContact SD-CD1 4.25Å; M130-I141 HydrophobicContact SD-CG1 4.43Å; L137-I141 WeakPolarHBondContact O-CB 3.4Å; L137-I141 VanDerWaalsContact O-CG1 3.27Å; L137-I141 WeakPolarHBondContact O-CG1 3.22Å; L137-I141 PolarHBondContact O-N 2.94Å; I141-A143 VanDerWaalsContact C-N 3.34Å; I141-A143 PolarHBondContact O-N 3.33Å; I141-A144 PolarHBondContact O-N 3.06Å; I141-C145 WeakPolarHBondContact O-CB 3.42Å; I141-C145 PolarHBondContact O-N 3.01Å; I141-C145 PolarHBondContact O-SG 3.13Å; I141-V158 HydrophobicContact CD1-CG1 4.37Å; I141-V158 HydrophobicContact CD1-CG2 4.16Å; I141-V158 HydrophobicContact CG1-CG2 3.98Å; I141-V171 HydrophobicContact CD1-CG1 4.4Å; I141-E174 HydrophobicContact CB-CG 4.16Å; I141-E174 HydrophobicContact CD1-CB 4.34Å; I141-E174 HydrophobicContact CD1-CG 4.27Å; I141-E174 HydrophobicContact CG2-CG 3.98Å; I141-I185 HydrophobicContact CG2-CD1 3.73Å
142	G	96.7	Very high	93.4	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62.6	-37.7	179	0	0	0	0	0	113.6	Q138 S140 R146	Q138-G142 WeakPolarHBondContact O-CA 3.44Å; Q138-G142 PolarHBondContact O-N 2.92Å; S140-G142 VanDerWaalsContact C-N 3.29Å; S140-G142 PolarHBondContact O-N 3.2Å; G142-R146 VanDerWaalsContact C-NH1 3.28Å; G142-R146 WeakPolarHBondContact O-CB 3.45Å; G142-R146 VanDerWaalsContact O-CG 3.28Å; G142-R146 WeakPolarHBondContact O-CG 3.19Å; G142-R146 PolarHBondContact O-N 2.81Å; G142-R146 PolarHBondContact O-NE 2.76Å; G142-R146 PolarHBondContact O-NH1 3.44Å
143	A	96.8	Very high	93.7	Very high	4 Å²	4	41.9 Å²	41.9	3%	0.033	20%	0.198	C	C	.	.	H	α-helix	trans	-68.5	-43.4	178.2	0	0	0	0	0	111.6	L139 S140 I141 R146 Q224 P225	L139-A143 WeakPolarHBondContact O-CB 3.43Å; L139-A143 PolarHBondContact O-N 3.1Å; S140-A143 PolarHBondContact O-N 3.29Å; I141-A143 VanDerWaalsContact C-N 3.34Å; I141-A143 PolarHBondContact O-N 3.33Å; A143-R146 PolarHBondContact O-N 3.16Å; A143-Q224 HydrophobicContact CB-CB 4.14Å; A143-Q224 HydrophobicContact CB-CG 4.39Å; A143-P225 HydrophobicContact CB-CG 4.32Å
144	A	97.1	Very high	94.2	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.008	19%	0.19	C	C	.	.	H	α-helix	trans	-62.9	-41.3	174.7	0	0	0	0	0	112.6	V126 I128 S140 I141 R146 L147 V156	V126-A144 HydrophobicContact CG1-CB 3.95Å; I128-A144 HydrophobicContact CD1-CB 3.4Å; I128-A144 HydrophobicContact CG1-CB 4.28Å; S140-A144 PolarHBondContact O-N 3.48Å; I141-A144 PolarHBondContact O-N 3.06Å; A144-R146 PolarHBondContact O-N 2.9Å; A144-L147 WeakPolarHBondContact O-CB 3.43Å; A144-L147 WeakPolarHBondContact O-CD1 3.3Å; A144-L147 VanDerWaalsContact O-CG 3.29Å; A144-L147 WeakPolarHBondContact O-CG 3.07Å; A144-L147 PolarHBondContact O-N 3.07Å; A144-V156 HydrophobicContact CB-CG1 4.28Å
145	C	97.1	Very high	94.7	Very high	10 Å²	10	34.7 Å²	34.7	7%	0.068	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-11.3	178.3	-63.3	0	0	0	0	113.9	I141 W178 V183	I141-C145 WeakPolarHBondContact O-CB 3.42Å; I141-C145 PolarHBondContact O-N 3.01Å; I141-C145 PolarHBondContact O-SG 3.13Å; C145-W178 HydrophobicContact CB-CB 4.46Å; C145-W178 HydrophobicContact CB-CD2 3.45Å; C145-W178 VanDerWaalsContact CB-CD2 3.45Å; C145-W178 HydrophobicContact CB-CE3 3.49Å; C145-W178 VanDerWaalsContact CB-CE3 3.49Å; C145-W178 HydrophobicContact CB-CG 3.88Å; C145-W178 HydrophobicContact CB-CH2 4.3Å; C145-W178 HydrophobicContact CB-CZ2 4.3Å; C145-W178 HydrophobicContact CB-CZ3 3.92Å; C145-V183 HydrophobicContact CB-CG1 4.21Å; C145-V183 HydrophobicContact CB-CG2 4.49Å
146	R	97	Very high	95.2	Very high	125 Å²	125	31.3 Å²	31.3	47%	0.472	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	4.7	177.4	-75.8	-172.2	-59.2	-88.8	1	113.6	G142 A143 A144 I148 W178	G142-R146 VanDerWaalsContact C-NH1 3.28Å; G142-R146 WeakPolarHBondContact O-CB 3.45Å; G142-R146 VanDerWaalsContact O-CG 3.28Å; G142-R146 WeakPolarHBondContact O-CG 3.19Å; G142-R146 PolarHBondContact O-N 2.81Å; G142-R146 PolarHBondContact O-NE 2.76Å; G142-R146 PolarHBondContact O-NH1 3.44Å; A143-R146 PolarHBondContact O-N 3.16Å; A144-R146 PolarHBondContact O-N 2.9Å; R146-I148 PolarHBondContact O-N 2.92Å; R146-W178 HydrophobicContact CG-CH2 3.74Å; R146-W178 HydrophobicContact CG-CZ3 4.3Å
147	L	97.6	Very high	95.7	Very high	9 Å²	9	31.2 Å²	31.2	5%	0.047	15%	0.15	C	C	.	.			trans	-60.9	133.8	174.9	-69.7	170.4	0	0	0	110.1	V126 A144 W149 L154 F219 P225 E226 P227 L230	V126-L147 HydrophobicContact CG1-CD1 4.44Å; V126-L147 HydrophobicContact CG2-CD1 3.95Å; A144-L147 WeakPolarHBondContact O-CB 3.43Å; A144-L147 WeakPolarHBondContact O-CD1 3.3Å; A144-L147 VanDerWaalsContact O-CG 3.29Å; A144-L147 WeakPolarHBondContact O-CG 3.07Å; A144-L147 PolarHBondContact O-N 3.07Å; L147-W149 PolarHBondContact O-N 3.46Å; L147-L154 HydrophobicContact CB-CD2 4.32Å; L147-F219 HydrophobicContact CD1-CE2 4.16Å; L147-P225 HydrophobicContact CD2-CB 4.01Å; L147-P225 HydrophobicContact CD2-CG 4Å; L147-P225 HydrophobicContact CG-CG 4.5Å; L147-E226 WeakPolarHBondContact CD2-O 3.29Å; L147-P227 CarbonylContact C-O 3.43Å; L147-P227 WeakPolarHBondContact CA-O 3.5Å; L147-L230 HydrophobicContact CB-CD1 4.04Å; L147-L230 HydrophobicContact CB-CG 4.44Å; L147-L230 HydrophobicContact CD1-CD1 4.04Å; L147-L230 HydrophobicContact CD1-CG 4.17Å; L147-L230 HydrophobicContact CD2-CG 4.44Å
148	I	96.1	Very high	96	Very high	85 Å²	85	31 Å²	31	44%	0.436	15%	0.149	S	C	.	.			trans	-80.2	100.9	178	-59.9	171	0	0	0	107.4	R146 P227 Q231	R146-I148 PolarHBondContact O-N 2.92Å; I148-P227 HydrophobicContact CD1-CB 3.73Å; I148-P227 HydrophobicContact CG1-CB 3.77Å; I148-P227 PolarHBondContact N-O 3.29Å; I148-Q231 HydrophobicContact CG2-CG 4.46Å
149	W	96	Very high	96.2	Very high	16 Å²	16	25.9 Å²	25.9	6%	0.061	13%	0.125	C	C	.	.	S	Bend	trans	-157	153.4	174.1	-156.9	-106.9	0	0	0	107.9	M110 Y121 P122 V124 L147 L151 R153 L154 L230 V234	M110-W149 HydrophobicContact CG-CH2 4.12Å; M110-W149 HydrophobicContact CG-CZ3 4.49Å; Y121-W149 AromaticContact CD1-CD2 3.94Å; Y121-W149 HydrophobicContact CD1-CD2 3.94Å; Y121-W149 AromaticContact CD1-CE2 3.77Å; Y121-W149 AromaticContact CD1-CE3 3.9Å; Y121-W149 HydrophobicContact CD1-CE3 3.9Å; Y121-W149 AromaticContact CD1-CH2 3.57Å; Y121-W149 HydrophobicContact CD1-CH2 3.57Å; Y121-W149 AromaticContact CD1-CZ2 3.6Å; Y121-W149 HydrophobicContact CD1-CZ2 3.6Å; Y121-W149 AromaticContact CD1-CZ3 3.72Å; Y121-W149 HydrophobicContact CD1-CZ3 3.72Å; Y121-W149 HydrophobicContact CE1-CE3 4.24Å; Y121-W149 HydrophobicContact CE1-CH2 4.25Å; Y121-W149 HydrophobicContact CE1-CZ3 4.03Å; Y121-W149 HydrophobicContact CG-CZ2 4.24Å; P122-W149 HydrophobicContact CG-CH2 4.35Å; P122-W149 HydrophobicContact CG-CZ2 3.79Å; P122-W149 PolarHBondContact O-NE1 3.29Å; V124-W149 HydrophobicContact CG2-CZ2 3.94Å; L147-W149 PolarHBondContact O-N 3.46Å; W149-L151 PolarHBondContact O-N 3.47Å; W149-R153 PolarHBondContact NE1-O 3.44Å; W149-L154 HydrophobicContact CB-CB 4.3Å; W149-L154 HydrophobicContact CB-CD1 4.36Å; W149-L154 HydrophobicContact CB-CD2 4.36Å; W149-L230 HydrophobicContact CB-CD1 3.89Å; W149-L230 HydrophobicContact CD2-CB 4.37Å; W149-L230 HydrophobicContact CD2-CD1 4.23Å; W149-L230 HydrophobicContact CE3-CB 3.72Å; W149-L230 HydrophobicContact CE3-CD1 4.39Å; W149-L230 HydrophobicContact CG-CD1 4.04Å; W149-L230 HydrophobicContact CZ3-CB 4.15Å; W149-V234 HydrophobicContact CH2-CB 3.82Å; W149-V234 HydrophobicContact CH2-CG1 3.59Å; W149-V234 HydrophobicContact CH2-CG2 4.2Å; W149-V234 HydrophobicContact CZ2-CG1 4.05Å; W149-V234 HydrophobicContact CZ3-CB 4.2Å; W149-V234 HydrophobicContact CZ3-CG1 4.45Å; W149-V234 HydrophobicContact CZ3-CG2 4.41Å
150	P	94.3	Very high	96.4	Very high	13 Å²	13	24 Å²	24	8%	0.084	12%	0.115	C	C	.	.			trans	-55.5	130.2	174.8	-26.8	35.9	0	0	0	111.5	H118 Y121 D152 R153 L154	H118-P150 HydrophobicContact CB-CB 4.01Å; H118-P150 HydrophobicContact CB-CG 4.3Å; Y121-P150 HydrophobicContact CD1-CG 3.85Å; Y121-P150 HydrophobicContact CD2-CG 3.85Å; Y121-P150 HydrophobicContact CE1-CG 4.32Å; Y121-P150 HydrophobicContact CE2-CG 4.33Å; Y121-P150 HydrophobicContact CG-CG 3.59Å; P150-D152 VanDerWaalsContact C-N 3.26Å; P150-D152 PolarHBondContact O-N 3.01Å; P150-R153 HydrophobicContact CB-CB 4.07Å; P150-R153 HydrophobicContact CB-CG 3.95Å; P150-R153 CarbonylContact O-C 3.49Å; P150-R153 WeakPolarHBondContact O-CA 3.16Å; P150-R153 PolarHBondContact O-N 3.43Å; P150-L154 PolarHBondContact O-N 2.98Å; P150-L154 VanDerWaalsContact O-N 3.15Å
151	L	92.2	Very high	96.4	Very high	94 Å²	94	24.6 Å²	24.6	49%	0.492	12%	0.118	S	C	.	.	G	3₁₀ helix	trans	-62.6	-32.1	-171.8	-69.6	175.5	0	0	0	112.9	W149 R153 V183	W149-L151 PolarHBondContact O-N 3.47Å; L151-R153 PolarHBondContact O-N 3.12Å; L151-V183 HydrophobicContact CD2-CG2 4.42Å
152	D	93.5	Very high	96.3	Very high	81 Å²	81	24.8 Å²	24.8	43%	0.433	12%	0.119	S	C	.	.	G	3₁₀ helix	trans	-74.2	-15.7	174.4	62	-59.2	0	0	0	113	H118 P150	H118-D152 IonicContact CE1-OD1 2.78Å; H118-D152 IonicContact CG-OD1 2.86Å; H118-D152 IonicContact ND1-OD1 3.63Å; H118-D152 PolarHBondContact ND1-OD1 2.63Å; H118-D152 IonicContact ND1-OD2 3.75Å; P150-D152 VanDerWaalsContact C-N 3.26Å; P150-D152 PolarHBondContact O-N 3.01Å
153	R	96.1	Very high	96	Very high	45 Å²	45	28.9 Å²	28.9	17%	0.17	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-106.7	2.6	-180	-54	-62.9	175	160.6	-6.4	114	H118 E119 M123 V124 W149 P150 L151	H118-R153 HydrophobicContact CB-CG 4.48Å; E119-R153 IonicContact OE1-NH2 2.9Å; E119-R153 PolarHBondContact OE1-NH2 3.17Å; M123-R153 WeakPolarHBondContact CA-O 3.5Å; M123-R153 HydrophobicContact SD-CB 4.2Å; M123-R153 WeakPolarHBondContact SD-CD 3.34Å; M123-R153 HydrophobicContact SD-CG 4.41Å; V124-R153 PolarHBondContact N-O 2.72Å; W149-R153 PolarHBondContact NE1-O 3.44Å; P150-R153 HydrophobicContact CB-CB 4.07Å; P150-R153 HydrophobicContact CB-CG 3.95Å; P150-R153 CarbonylContact O-C 3.49Å; P150-R153 WeakPolarHBondContact O-CA 3.16Å; P150-R153 PolarHBondContact O-N 3.43Å; L151-R153 PolarHBondContact O-N 3.12Å
154	L	97.5	Very high	95.8	Very high	5 Å²	5	32 Å²	32	3%	0.026	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	126.4	-179.7	-173.1	68.4	0	0	0	110.8	V124 V126 L147 W149 P150 L230	V124-L154 HydrophobicContact CB-CD1 4.24Å; V124-L154 HydrophobicContact CG1-CD1 4.31Å; V126-L154 HydrophobicContact CG2-CD1 3.73Å; L147-L154 HydrophobicContact CB-CD2 4.32Å; W149-L154 HydrophobicContact CB-CB 4.3Å; W149-L154 HydrophobicContact CB-CD1 4.36Å; W149-L154 HydrophobicContact CB-CD2 4.36Å; P150-L154 PolarHBondContact O-N 2.98Å; P150-L154 VanDerWaalsContact O-N 3.15Å; L154-L230 HydrophobicContact CD1-CD1 3.67Å
155	I	98.1	Very high	95.6	Very high	4 Å²	4	37 Å²	37	2%	0.021	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	121	173.3	-52.9	-177	0	0	0	108.8	M123 V124 L125 V126 N184 K186 Y209	M123-I155 HydrophobicContact CE-CD1 3.99Å; M123-I155 HydrophobicContact CE-CG1 4.25Å; V124-I155 PolarHBondContact O-N 3.24Å; L125-I155 CarbonylContact C-O 3Å; L125-I155 WeakPolarHBondContact CA-O 3.17Å; L125-I155 HydrophobicContact CD1-CB 4.12Å; L125-I155 HydrophobicContact CD1-CG2 4.01Å; V126-I155 PolarHBondContact N-O 3.14Å; I155-N184 WeakPolarHBondContact CA-O 3.25Å; I155-K186 HydrophobicContact CG2-CG 4.44Å; I155-Y209 HydrophobicContact CD1-CD2 4.03Å; I155-Y209 HydrophobicContact CD1-CG 4.48Å; I155-Y209 HydrophobicContact CG2-CD2 3.94Å; I155-Y209 HydrophobicContact CG2-CE2 4.02Å
156	V	98.1	Very high	95.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	120	174.5	-178.4	0	0	0	0	109	V126 I128 A144 V183 N184 I185 K186	V126-V156 HydrophobicContact CB-CG2 4.44Å; V126-V156 CarbonylContact O-C 3.57Å; I128-V156 HydrophobicContact CD1-CG1 4.03Å; A144-V156 HydrophobicContact CB-CG1 4.28Å; V156-V183 HydrophobicContact CG2-CG1 4.31Å; V156-N184 PolarHBondContact N-O 3.41Å; V156-I185 HydrophobicContact CB-CB 4.32Å; V156-I185 HydrophobicContact CB-CD1 4.48Å; V156-I185 HydrophobicContact CB-CG1 4.2Å; V156-I185 HydrophobicContact CG1-CD1 4.08Å; V156-I185 HydrophobicContact CG1-CG1 4.19Å; V156-I185 CarbonylContact O-C 3.49Å; V156-I185 VanDerWaalsContact O-CA 3.25Å; V156-I185 WeakPolarHBondContact O-CA 3.39Å; V156-K186 PolarHBondContact O-N 2.96Å
157	Q	98	Very high	95.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	108.9	178.9	-175.6	-176.1	44.5	0	0	110.3	L125 V126 Q127 I128 L159 K186 E188 G204 Y209	L125-Q157 HydrophobicContact CD1-CB 3.81Å; V126-Q157 PolarHBondContact O-N 2.86Å; Q127-Q157 CarbonylContact C-O 3.52Å; Q127-Q157 WeakPolarHBondContact CA-O 3.36Å; Q127-Q157 HydrophobicContact CG-CB 4.48Å; I128-Q157 PolarHBondContact N-O 2.98Å; Q157-L159 HydrophobicContact CG-CD2 3.67Å; Q157-L159 HydrophobicContact CG-CG 4.22Å; Q157-K186 CarbonylContact C-O 3.38Å; Q157-K186 WeakPolarHBondContact CA-O 3.23Å; Q157-E188 HydrophobicContact CG-CG 4.1Å; Q157-G204 PolarHBondContact NE2-O 3.45Å; Q157-G204 PolarHBondContact OE1-O 3.47Å; Q157-Y209 PolarHBondContact NE2-OH 3.3Å
158	V	97.9	Very high	95.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	118.3	171.9	-176.4	0	0	0	0	108.4	I128 M130 I141 V171 I185 K186 C187 E188	I128-V158 HydrophobicContact CD1-CG2 4.49Å; M130-V158 HydrophobicContact CG-CG1 4.42Å; M130-V158 HydrophobicContact SD-CG1 4.12Å; I141-V158 HydrophobicContact CD1-CG1 4.37Å; I141-V158 HydrophobicContact CD1-CG2 4.16Å; I141-V158 HydrophobicContact CG1-CG2 3.98Å; V158-V171 HydrophobicContact CG1-CG1 3.84Å; V158-I185 HydrophobicContact CG2-CD1 4.01Å; V158-I185 HydrophobicContact CG2-CG1 4.36Å; V158-K186 PolarHBondContact N-O 3.21Å; V158-C187 WeakPolarHBondContact O-CA 3.34Å; V158-E188 PolarHBondContact O-N 3.36Å
159	L	97.3	Very high	95.1	Very high	7 Å²	7	37.6 Å²	37.6	4%	0.037	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	94.2	179.2	-56.1	171.1	0	0	0	108.2	Q127 I128 M130 Q157 E188 A200 L201	Q127-L159 HydrophobicContact CB-CD1 4.34Å; Q127-L159 HydrophobicContact CG-CD1 4.45Å; I128-L159 PolarHBondContact O-N 3.41Å; M130-L159 PolarHBondContact N-O 3.09Å; Q157-L159 HydrophobicContact CG-CD2 3.67Å; Q157-L159 HydrophobicContact CG-CG 4.22Å; L159-E188 HydrophobicContact CD2-CB 4.04Å; L159-A200 HydrophobicContact CB-CB 4.41Å; L159-L201 HydrophobicContact CD1-CD2 3.83Å; L159-L201 HydrophobicContact CD1-CG 4.45Å
160	D	96.2	Very high	95.1	Very high	3 Å²	3	39.5 Å²	39.5	2%	0.016	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	102.2	-170.8	179.3	24.7	0	0	0	111.9	S162 V171 E188 R189	D160-S162 WeakPolarHBondContact OD1-CB 3.48Å; D160-S162 PolarHBondContact OD1-N 3.3Å; D160-S162 PolarHBondContact OD1-OG 2.92Å; D160-V171 HydrophobicContact CB-CG1 4.33Å; D160-E188 PolarHBondContact N-O 3Å; D160-R189 HydrophobicContact CB-CG 4.11Å; D160-R189 WeakPolarHBondContact O-CG 3.08Å; D160-R189 IonicContact OD2-CZ 2.81Å; D160-R189 VanDerWaalsContact OD2-CZ 3.27Å; D160-R189 IonicContact OD2-NE 2.63Å; D160-R189 PolarHBondContact OD2-NE 3.32Å; D160-R189 IonicContact OD2-NH2 3.48Å; D160-R189 PolarHBondContact OD2-NH2 2.88Å
161	D	94.9	Very high	95.2	Very high	14 Å²	14	39 Å²	39	8%	0.075	20%	0.201	C	C	.	.			trans	-92.1	5	176.9	-106.7	21.8	0	0	0	112.9	M130 Y131 R190 R193	M130-D161 WeakPolarHBondContact O-CB 3.25Å; M130-D161 PolarHBondContact O-N 2.87Å; Y131-D161 HydrophobicContact CD2-CB 4.32Å; Y131-D161 VanDerWaalsContact CD2-O 3.22Å; Y131-D161 WeakPolarHBondContact CD2-O 3.42Å; D161-R190 VanDerWaalsContact CG-NE 3.32Å; D161-R190 WeakPolarHBondContact OD1-CD 3.45Å; D161-R190 WeakPolarHBondContact OD1-CG 3.26Å; D161-R190 IonicContact OD1-CZ 3.98Å; D161-R190 IonicContact OD1-NE 3.97Å; D161-R190 PolarHBondContact OD1-NE 3.19Å; D161-R190 IonicContact OD1-NH2 3.57Å; D161-R190 IonicContact OD2-CZ 3.71Å; D161-R190 IonicContact OD2-NE 2.85Å; D161-R190 PolarHBondContact OD2-NE 3.33Å; D161-R190 VanDerWaalsContact OD2-NE 3.16Å; D161-R190 IonicContact OD2-NH2 2.72Å; D161-R190 PolarHBondContact OD2-NH2 2.62Å; D161-R193 WeakPolarHBondContact O-CD 3.45Å; D161-R193 PolarHBondContact O-NE 3.23Å; D161-R193 IonicContact OD2-NE 3.72Å
162	S	93.4	Very high	95.4	Very high	4 Å²	4	37.7 Å²	37.7	3%	0.028	20%	0.195	C	C	.	.			trans	-55.2	146.1	-174	-60.2	0	0	0	0	112.2	N132 D160 K168	N132-S162 PolarHBondContact N-OG 3.2Å; N132-S162 VanDerWaalsContact OD1-CA 3.27Å; N132-S162 WeakPolarHBondContact OD1-CA 3.09Å; N132-S162 WeakPolarHBondContact OD1-CB 3.47Å; D160-S162 WeakPolarHBondContact OD1-CB 3.48Å; D160-S162 PolarHBondContact OD1-N 3.3Å; D160-S162 PolarHBondContact OD1-OG 2.92Å; S162-K168 WeakPolarHBondContact O-CE 3.33Å; S162-K168 PolarHBondContact O-NZ 3.29Å
163	T	91.1	Very high	95.5	Very high	86 Å²	86	38.4 Å²	38.4	53%	0.528	20%	0.202	S	C	.	.			trans	-103.1	-22.5	175.1	50	0	0	0	0	112.4	Y131 N132	Y131-T163 HydrophobicContact CE2-CG2 4.05Å; N132-T163 PolarHBondContact ND2-OG1 2.79Å; N132-T163 PolarHBondContact OD1-N 3.44Å
164	D	92.3	Very high	95.5	Very high	70 Å²	70	36.6 Å²	36.6	37%	0.374	20%	0.196	S	C	.	.			trans	-78.3	120.7	175.5	-173.2	-26.4	0	0	0	110.6	N132 T166 I167 K168	N132-D164 PolarHBondContact OD1-N 2.79Å; D164-T166 VanDerWaalsContact C-N 3.27Å; D164-T166 PolarHBondContact O-N 3.38Å; D164-T166 WeakPolarHBondContact OD1-CB 3.38Å; D164-T166 PolarHBondContact OD1-N 3.01Å; D164-T166 PolarHBondContact OD1-OG1 3.35Å; D164-I167 HydrophobicContact CB-CB 4.22Å; D164-I167 HydrophobicContact CB-CD1 3.87Å; D164-I167 HydrophobicContact CB-CG1 3.91Å; D164-I167 PolarHBondContact O-N 2.86Å; D164-I167 VanDerWaalsContact O-N 3.14Å; D164-K168 PolarHBondContact O-N 3.26Å; D164-K168 VanDerWaalsContact O-N 3.14Å
165	Q	93	Very high	95.5	Very high	107 Å²	107	36.8 Å²	36.8	50%	0.5	20%	0.197	S	C	.	.	H	α-helix	trans	-60.6	-36.1	-180	-175.8	57.5	28.3	0	0	112.6	I167 K168 E169	Q165-I167 VanDerWaalsContact C-N 3.27Å; Q165-I167 PolarHBondContact O-N 3.24Å; Q165-K168 PolarHBondContact O-N 3.45Å; Q165-E169 PolarHBondContact NE2-OE1 3.31Å; Q165-E169 VanDerWaalsContact NE2-OE1 3.08Å; Q165-E169 WeakPolarHBondContact O-CG 3.37Å; Q165-E169 PolarHBondContact O-N 2.89Å
166	T	94.4	Very high	95.5	Very high	74 Å²	74	39 Å²	39	45%	0.454	22%	0.216	S	C	.	.	H	α-helix	trans	-61.9	-39.7	177.3	-42	0	0	0	0	110.8	D164 E169 L170	D164-T166 VanDerWaalsContact C-N 3.27Å; D164-T166 PolarHBondContact O-N 3.38Å; D164-T166 WeakPolarHBondContact OD1-CB 3.38Å; D164-T166 PolarHBondContact OD1-N 3.01Å; D164-T166 PolarHBondContact OD1-OG1 3.35Å; T166-E169 PolarHBondContact O-N 2.9Å; T166-L170 VanDerWaalsContact O-CG 3.3Å; T166-L170 WeakPolarHBondContact O-CG 3.42Å; T166-L170 PolarHBondContact O-N 3.16Å; T166-L170 VanDerWaalsContact O-N 3.1Å
167	I	93.3	Very high	95.4	Very high	9 Å²	9	43.3 Å²	43.3	5%	0.046	24%	0.235	C	C	.	.	H	α-helix	trans	-71.6	-40.7	-179.4	-60.6	180	0	0	0	110	N132 K134 L137 D164 Q165 E169 L170 V171	N132-I167 HydrophobicContact CB-CD1 3.88Å; N132-I167 WeakPolarHBondContact O-CD1 3.17Å; K134-I167 HydrophobicContact CB-CD1 4.04Å; K134-I167 HydrophobicContact CB-CG1 4.26Å; L137-I167 HydrophobicContact CD2-CG2 4.28Å; D164-I167 HydrophobicContact CB-CB 4.22Å; D164-I167 HydrophobicContact CB-CD1 3.87Å; D164-I167 HydrophobicContact CB-CG1 3.91Å; D164-I167 PolarHBondContact O-N 2.86Å; D164-I167 VanDerWaalsContact O-N 3.14Å; Q165-I167 VanDerWaalsContact C-N 3.27Å; Q165-I167 PolarHBondContact O-N 3.24Å; I167-E169 VanDerWaalsContact C-N 3.3Å; I167-E169 PolarHBondContact O-N 3.5Å; I167-L170 WeakPolarHBondContact O-CB 3.08Å; I167-L170 PolarHBondContact O-N 2.8Å; I167-V171 WeakPolarHBondContact O-CG2 3.4Å; I167-V171 PolarHBondContact O-N 2.74Å
168	K	95	Very high	95.4	Very high	57 Å²	57	44.4 Å²	44.4	25%	0.248	24%	0.239	C	C	.	.	H	α-helix	trans	-57.2	-43.8	174.2	-66.7	-179.9	-179.5	-178	0	112.1	S162 D164 Q165 V171 N172 R189	S162-K168 WeakPolarHBondContact O-CE 3.33Å; S162-K168 PolarHBondContact O-NZ 3.29Å; D164-K168 PolarHBondContact O-N 3.26Å; D164-K168 VanDerWaalsContact O-N 3.14Å; Q165-K168 PolarHBondContact O-N 3.45Å; K168-V171 PolarHBondContact O-N 3.34Å; K168-N172 PolarHBondContact O-N 2.86Å; K168-N172 PolarHBondContact O-ND2 2.93Å; K168-R189 PolarHBondContact O-NH2 3.49Å
169	E	95.5	Very high	95.3	Very high	101 Å²	101	49.6 Å²	49.6	47%	0.472	26%	0.263	S	S	.	.	H	α-helix	trans	-64.9	-39.3	177.6	-73.9	168.6	-163.5	0	0	112.4	Q165 T166 I167 N172 T173	Q165-E169 PolarHBondContact NE2-OE1 3.31Å; Q165-E169 VanDerWaalsContact NE2-OE1 3.08Å; Q165-E169 WeakPolarHBondContact O-CG 3.37Å; Q165-E169 PolarHBondContact O-N 2.89Å; T166-E169 PolarHBondContact O-N 2.9Å; I167-E169 VanDerWaalsContact C-N 3.3Å; I167-E169 PolarHBondContact O-N 3.5Å; E169-N172 PolarHBondContact O-N 3.26Å; E169-T173 WeakPolarHBondContact O-CB 3.36Å; E169-T173 PolarHBondContact O-N 3.29Å; E169-T173 PolarHBondContact O-OG1 3.47Å
170	L	95.6	Very high	95.3	Very high	56 Å²	56	54 Å²	54	29%	0.293	30%	0.295	S	S	.	.	H	α-helix	trans	-63.7	-42.3	174	-70.9	171.3	0	0	0	112	K134 L137 T166 I167 T173 E174	K134-L170 HydrophobicContact CG-CD1 4.25Å; L137-L170 HydrophobicContact CD1-CB 4.35Å; L137-L170 HydrophobicContact CD2-CB 3.91Å; L137-L170 HydrophobicContact CD2-CD1 4.4Å; T166-L170 VanDerWaalsContact O-CG 3.3Å; T166-L170 WeakPolarHBondContact O-CG 3.42Å; T166-L170 PolarHBondContact O-N 3.16Å; T166-L170 VanDerWaalsContact O-N 3.1Å; I167-L170 WeakPolarHBondContact O-CB 3.08Å; I167-L170 PolarHBondContact O-N 2.8Å; L170-T173 PolarHBondContact O-N 3.18Å; L170-E174 PolarHBondContact O-N 3.11Å
171	V	95.7	Very high	95.2	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.006	32%	0.319	C	S	.	.	H	α-helix	trans	-61.4	-46.8	174.6	172.6	0	0	0	0	110.4	M130 L137 I141 V158 D160 I167 K168 T173 E174 C175	M130-V171 HydrophobicContact SD-CG2 4.4Å; L137-V171 HydrophobicContact CD2-CG2 4.37Å; I141-V171 HydrophobicContact CD1-CG1 4.4Å; V158-V171 HydrophobicContact CG1-CG1 3.84Å; D160-V171 HydrophobicContact CB-CG1 4.33Å; I167-V171 WeakPolarHBondContact O-CG2 3.4Å; I167-V171 PolarHBondContact O-N 2.74Å; K168-V171 PolarHBondContact O-N 3.34Å; V171-T173 VanDerWaalsContact C-N 3.33Å; V171-T173 PolarHBondContact O-N 3.46Å; V171-E174 PolarHBondContact O-N 3.13Å; V171-C175 WeakPolarHBondContact O-CB 3.4Å; V171-C175 PolarHBondContact O-N 3.35Å; V171-C175 PolarHBondContact O-SG 3.37Å
172	N	96	Very high	95.2	Very high	68 Å²	68	61.4 Å²	61.4	36%	0.364	34%	0.341	S	S	.	.	H	α-helix	trans	-59.6	-43.7	177.5	-72.5	-18.1	0	0	0	112.3	K168 E169 C175 A176 R189	K168-N172 PolarHBondContact O-N 2.86Å; K168-N172 PolarHBondContact O-ND2 2.93Å; E169-N172 PolarHBondContact O-N 3.26Å; N172-C175 PolarHBondContact O-N 3.36Å; N172-A176 WeakPolarHBondContact O-CB 3.11Å; N172-A176 PolarHBondContact O-N 2.8Å; N172-R189 PolarHBondContact OD1-NH1 3.06Å; N172-R189 PolarHBondContact OD1-NH2 3.23Å
173	T	96.5	Very high	95.3	Very high	95 Å²	95	61.8 Å²	61.8	58%	0.583	34%	0.343	S	S	*	.	H	α-helix	trans	-62.8	-44.2	179.2	-57	0	0	0	0	111.3	E169 L170 V171 K177	E169-T173 WeakPolarHBondContact O-CB 3.36Å; E169-T173 PolarHBondContact O-N 3.29Å; E169-T173 PolarHBondContact O-OG1 3.47Å; L170-T173 PolarHBondContact O-N 3.18Å; V171-T173 VanDerWaalsContact C-N 3.33Å; V171-T173 PolarHBondContact O-N 3.46Å; T173-K177 WeakPolarHBondContact O-CB 3.35Å; T173-K177 PolarHBondContact O-N 3Å; T173-K177 VanDerWaalsContact O-N 3.1Å
174	E	96.7	Very high	95.6	Very high	8 Å²	8	60.3 Å²	60.3	4%	0.037	33%	0.332	C	S	.	.	H	α-helix	trans	-68.8	-40.6	178.4	-168.7	63.8	-159.5	0	0	111.4	L137 I141 L170 V171 K177 W178	L137-E174 HydrophobicContact CD1-CB 4.36Å; I141-E174 HydrophobicContact CB-CG 4.16Å; I141-E174 HydrophobicContact CD1-CB 4.34Å; I141-E174 HydrophobicContact CD1-CG 4.27Å; I141-E174 HydrophobicContact CG2-CG 3.98Å; L170-E174 PolarHBondContact O-N 3.11Å; V171-E174 PolarHBondContact O-N 3.13Å; E174-K177 VanDerWaalsContact CD-NZ 3.3Å; E174-K177 WeakPolarHBondContact O-CB 3.37Å; E174-K177 PolarHBondContact O-N 3.43Å; E174-K177 IonicContact OE1-NZ 3.33Å; E174-K177 PolarHBondContact OE1-NZ 3.46Å; E174-K177 IonicContact OE2-NZ 2.83Å; E174-K177 PolarHBondContact OE2-NZ 3.07Å; E174-W178 PolarHBondContact O-N 3.07Å; E174-W178 PolarHBondContact OE1-NE1 3.25Å
175	C	96.8	Very high	95.8	Very high	8 Å²	8	57.2 Å²	57.2	5%	0.054	32%	0.315	C	S	.	.	H	α-helix	trans	-59.9	-49.3	174.4	-70.1	0	0	0	0	111.8	V171 N172 K177 W178 E179 I185 C187	V171-C175 WeakPolarHBondContact O-CB 3.4Å; V171-C175 PolarHBondContact O-N 3.35Å; V171-C175 PolarHBondContact O-SG 3.37Å; N172-C175 PolarHBondContact O-N 3.36Å; C175-K177 VanDerWaalsContact C-N 3.27Å; C175-K177 PolarHBondContact O-N 2.72Å; C175-W178 PolarHBondContact O-N 2.96Å; C175-W178 VanDerWaalsContact O-N 3.08Å; C175-E179 WeakPolarHBondContact O-CB 3.3Å; C175-E179 PolarHBondContact O-N 3.42Å; C175-I185 HydrophobicContact CB-CD1 4.25Å; C175-I185 HydrophobicContact CB-CG1 4.45Å; C175-I185 WeakPolarHBondContact O-CG2 3.45Å; C175-C187 HydrophobicContact CB-CB 4.46Å
176	A	97.1	Very high	96	Very high	52 Å²	52	55.2 Å²	55.2	43%	0.43	31%	0.305	S	S	.	.	H	α-helix	trans	-60.4	-36.6	178.9	0	0	0	0	0	112.5	N172 W178 E179 S180	N172-A176 WeakPolarHBondContact O-CB 3.11Å; N172-A176 PolarHBondContact O-N 2.8Å; A176-W178 VanDerWaalsContact C-N 3.35Å; A176-W178 PolarHBondContact O-N 3.34Å; A176-E179 PolarHBondContact O-N 3.23Å; A176-S180 WeakPolarHBondContact O-CB 3.49Å; A176-S180 PolarHBondContact O-N 3.45Å
177	K	97.3	Very high	96.1	Very high	90 Å²	90	53.4 Å²	53.4	39%	0.391	30%	0.295	S	S	.	.	H	α-helix	trans	-65.3	-32.4	175.3	168.1	-173	162.3	-147.7	0	113.5	T173 E174 C175 S180 K181	T173-K177 WeakPolarHBondContact O-CB 3.35Å; T173-K177 PolarHBondContact O-N 3Å; T173-K177 VanDerWaalsContact O-N 3.1Å; E174-K177 VanDerWaalsContact CD-NZ 3.3Å; E174-K177 WeakPolarHBondContact O-CB 3.37Å; E174-K177 PolarHBondContact O-N 3.43Å; E174-K177 IonicContact OE1-NZ 3.33Å; E174-K177 PolarHBondContact OE1-NZ 3.46Å; E174-K177 IonicContact OE2-NZ 2.83Å; E174-K177 PolarHBondContact OE2-NZ 3.07Å; C175-K177 VanDerWaalsContact C-N 3.27Å; C175-K177 PolarHBondContact O-N 2.72Å; K177-S180 PolarHBondContact O-OG 3.2Å; K177-K181 WeakPolarHBondContact O-CG 3.14Å
178	W	97.2	Very high	96.2	Very high	22 Å²	22	55.3 Å²	55.3	8%	0.083	30%	0.304	C	S	.	.	H	α-helix	trans	-84.1	-35.8	175.8	-75.6	106.5	0	0	0	112	C145 R146 E174 C175 A176 S180 K181 V183 I185	C145-W178 HydrophobicContact CB-CB 4.46Å; C145-W178 HydrophobicContact CB-CD2 3.45Å; C145-W178 VanDerWaalsContact CB-CD2 3.45Å; C145-W178 HydrophobicContact CB-CE3 3.49Å; C145-W178 VanDerWaalsContact CB-CE3 3.49Å; C145-W178 HydrophobicContact CB-CG 3.88Å; C145-W178 HydrophobicContact CB-CH2 4.3Å; C145-W178 HydrophobicContact CB-CZ2 4.3Å; C145-W178 HydrophobicContact CB-CZ3 3.92Å; R146-W178 HydrophobicContact CG-CH2 3.74Å; R146-W178 HydrophobicContact CG-CZ3 4.3Å; E174-W178 PolarHBondContact O-N 3.07Å; E174-W178 PolarHBondContact OE1-NE1 3.25Å; C175-W178 PolarHBondContact O-N 2.96Å; C175-W178 VanDerWaalsContact O-N 3.08Å; A176-W178 VanDerWaalsContact C-N 3.35Å; A176-W178 PolarHBondContact O-N 3.34Å; W178-S180 VanDerWaalsContact C-N 3.31Å; W178-S180 PolarHBondContact O-N 2.98Å; W178-K181 HydrophobicContact CE3-CD 3.9Å; W178-K181 HydrophobicContact CZ3-CD 4.04Å; W178-K181 WeakPolarHBondContact O-CB 3.45Å; W178-K181 PolarHBondContact O-N 2.7Å; W178-V183 HydrophobicContact CB-CB 4.43Å; W178-V183 HydrophobicContact CE3-CG2 4.02Å; W178-V183 PolarHBondContact O-N 2.84Å; W178-I185 HydrophobicContact CB-CD1 4.48Å; W178-I185 HydrophobicContact CB-CG2 4.25Å
179	E	96.4	Very high	96.3	Very high	110 Å²	110	57 Å²	57	51%	0.514	31%	0.308	S	S	.	.	H	α-helix	trans	-59	-42.6	171.4	-170.7	170.1	-142.5	0	0	111	C175 A176 K181 G182 I185	C175-E179 WeakPolarHBondContact O-CB 3.3Å; C175-E179 PolarHBondContact O-N 3.42Å; A176-E179 PolarHBondContact O-N 3.23Å; E179-K181 PolarHBondContact O-N 2.63Å; E179-K181 VanDerWaalsContact O-N 3.08Å; E179-G182 PolarHBondContact O-N 2.61Å; E179-I185 HydrophobicContact CB-CG2 3.84Å
180	S	96.1	Very high	96.2	Very high	99 Å²	99	54.1 Å²	54.1	69%	0.692	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-12.9	175.7	78.2	0	0	0	0	114.2	A176 K177 W178	A176-S180 WeakPolarHBondContact O-CB 3.49Å; A176-S180 PolarHBondContact O-N 3.45Å; K177-S180 PolarHBondContact O-OG 3.2Å; W178-S180 VanDerWaalsContact C-N 3.31Å; W178-S180 PolarHBondContact O-N 2.98Å
181	K	95.1	Very high	95.9	Very high	121 Å²	121	59.8 Å²	59.8	53%	0.526	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	4.8	174.1	-66.7	177	-179.4	-174.5	0	112.9	K177 W178 E179	K177-K181 WeakPolarHBondContact O-CG 3.14Å; W178-K181 HydrophobicContact CE3-CD 3.9Å; W178-K181 HydrophobicContact CZ3-CD 4.04Å; W178-K181 WeakPolarHBondContact O-CB 3.45Å; W178-K181 PolarHBondContact O-N 2.7Å; E179-K181 PolarHBondContact O-N 2.63Å; E179-K181 VanDerWaalsContact O-N 3.08Å
182	G	94.4	Very high	95.6	Very high	52 Å²	52	63.4 Å²	63.4	54%	0.536	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.1	9.3	179.8	0	0	0	0	0	114.8	E179	E179-G182 PolarHBondContact O-N 2.61Å
183	V	95.8	Very high	95.3	Very high	11 Å²	11	63.2 Å²	63.2	7%	0.067	34%	0.337	C	S	.	.			trans	-78.8	130.8	173.8	-178.9	0	0	0	0	109.2	C145 L151 V156 W178 I185	C145-V183 HydrophobicContact CB-CG1 4.21Å; C145-V183 HydrophobicContact CB-CG2 4.49Å; L151-V183 HydrophobicContact CD2-CG2 4.42Å; V156-V183 HydrophobicContact CG2-CG1 4.31Å; W178-V183 HydrophobicContact CB-CB 4.43Å; W178-V183 HydrophobicContact CE3-CG2 4.02Å; W178-V183 PolarHBondContact O-N 2.84Å; V183-I185 VanDerWaalsContact C-N 3.3Å; V183-I185 PolarHBondContact O-N 2.87Å
184	N	96.7	Very high	95	Very high	55 Å²	55	64.2 Å²	64.2	29%	0.294	34%	0.339	S	S	.	.			trans	-75.4	83.1	174.5	-171	-0.8	0	0	0	110.6	I155 V156 K186	I155-N184 WeakPolarHBondContact CA-O 3.25Å; V156-N184 PolarHBondContact N-O 3.41Å; N184-K186 WeakPolarHBondContact OD1-CE 3.36Å; N184-K186 PolarHBondContact OD1-NZ 2.65Å
185	I	97.6	Very high	94.5	Very high	5 Å²	5	64.9 Å²	64.9	3%	0.026	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	139.3	177.7	-174.2	160.1	0	0	0	111	I141 V156 V158 C175 W178 E179 V183	I141-I185 HydrophobicContact CG2-CD1 3.73Å; V156-I185 HydrophobicContact CB-CB 4.32Å; V156-I185 HydrophobicContact CB-CD1 4.48Å; V156-I185 HydrophobicContact CB-CG1 4.2Å; V156-I185 HydrophobicContact CG1-CD1 4.08Å; V156-I185 HydrophobicContact CG1-CG1 4.19Å; V156-I185 CarbonylContact O-C 3.49Å; V156-I185 VanDerWaalsContact O-CA 3.25Å; V156-I185 WeakPolarHBondContact O-CA 3.39Å; V158-I185 HydrophobicContact CG2-CD1 4.01Å; V158-I185 HydrophobicContact CG2-CG1 4.36Å; C175-I185 HydrophobicContact CB-CD1 4.25Å; C175-I185 HydrophobicContact CB-CG1 4.45Å; C175-I185 WeakPolarHBondContact O-CG2 3.45Å; W178-I185 HydrophobicContact CB-CD1 4.48Å; W178-I185 HydrophobicContact CB-CG2 4.25Å; E179-I185 HydrophobicContact CB-CG2 3.84Å; V183-I185 VanDerWaalsContact C-N 3.3Å; V183-I185 PolarHBondContact O-N 2.87Å
186	K	97	Very high	94.3	Very high	66 Å²	66	68.2 Å²	68.2	29%	0.287	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	131.4	176.7	-56.3	-62.2	165.3	-146.9	0	109.4	I155 V156 Q157 V158 N184 Y209	I155-K186 HydrophobicContact CG2-CG 4.44Å; V156-K186 PolarHBondContact O-N 2.96Å; Q157-K186 CarbonylContact C-O 3.38Å; Q157-K186 WeakPolarHBondContact CA-O 3.23Å; V158-K186 PolarHBondContact N-O 3.21Å; N184-K186 WeakPolarHBondContact OD1-CE 3.36Å; N184-K186 PolarHBondContact OD1-NZ 2.65Å; K186-Y209 HydrophobicContact CB-CE1 4.47Å; K186-Y209 HydrophobicContact CG-CE1 4Å; K186-Y209 HydrophobicContact CG-CE2 4.46Å
187	C	96.6	Very high	94.1	Very high	36 Å²	36	67.5 Å²	67.5	24%	0.243	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	110.2	175	-176.1	0	0	0	0	108.5	V158 C175	V158-C187 WeakPolarHBondContact O-CA 3.34Å; C175-C187 HydrophobicContact CB-CB 4.46Å
188	E	96.4	Very high	93.9	Very high	49 Å²	49	63.3 Å²	63.3	23%	0.229	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	136.2	-177.6	-55.8	-61.8	168.8	0	0	109.8	Q157 V158 L159 D160 H207 Y209	Q157-E188 HydrophobicContact CG-CG 4.1Å; V158-E188 PolarHBondContact O-N 3.36Å; L159-E188 HydrophobicContact CD2-CB 4.04Å; D160-E188 PolarHBondContact N-O 3Å; E188-H207 IonicContact OE1-CE1 3.29Å; E188-H207 PolarHBondContact OE1-CE1 3Å; E188-H207 IonicContact OE1-ND1 3.98Å; E188-H207 PolarHBondContact OE1-ND1 3.42Å; E188-H207 IonicContact OE2-CE1 3.74Å; E188-H207 PolarHBondContact OE2-CE1 2.86Å; E188-H207 IonicContact OE2-ND1 3.92Å; E188-H207 IonicContact OE2-NE2 3.59Å; E188-Y209 PolarHBondContact OE1-OH 3.36Å
189	R	95.2	Very high	93.8	Very high	91 Å²	91	62.6 Å²	62.6	34%	0.343	33%	0.329	S	S	.	.			trans	-129.8	152.7	178.5	-62.8	-167.6	174.3	85.3	4	109.7	D160 K168 N172	D160-R189 HydrophobicContact CB-CG 4.11Å; D160-R189 WeakPolarHBondContact O-CG 3.08Å; D160-R189 IonicContact OD2-CZ 2.81Å; D160-R189 VanDerWaalsContact OD2-CZ 3.27Å; D160-R189 IonicContact OD2-NE 2.63Å; D160-R189 PolarHBondContact OD2-NE 3.32Å; D160-R189 IonicContact OD2-NH2 3.48Å; D160-R189 PolarHBondContact OD2-NH2 2.88Å; K168-R189 PolarHBondContact O-NH2 3.49Å; N172-R189 PolarHBondContact OD1-NH1 3.06Å; N172-R189 PolarHBondContact OD1-NH2 3.23Å
190	R	93.8	Very high	93.7	Very high	41 Å²	41	57.6 Å²	57.6	16%	0.155	31%	0.306	C	S	.	.			trans	-125.4	153.3	176.3	55.8	175.1	-167.3	146.6	-2.6	111.2	D161 N192 R193 N194 Y196	D161-R190 VanDerWaalsContact CG-NE 3.32Å; D161-R190 WeakPolarHBondContact OD1-CD 3.45Å; D161-R190 WeakPolarHBondContact OD1-CG 3.26Å; D161-R190 IonicContact OD1-CZ 3.98Å; D161-R190 IonicContact OD1-NE 3.97Å; D161-R190 PolarHBondContact OD1-NE 3.19Å; D161-R190 IonicContact OD1-NH2 3.57Å; D161-R190 IonicContact OD2-CZ 3.71Å; D161-R190 IonicContact OD2-NE 2.85Å; D161-R190 PolarHBondContact OD2-NE 3.33Å; D161-R190 VanDerWaalsContact OD2-NE 3.16Å; D161-R190 IonicContact OD2-NH2 2.72Å; D161-R190 PolarHBondContact OD2-NH2 2.62Å; R190-N192 VanDerWaalsContact C-N 3.3Å; R190-N192 WeakPolarHBondContact CD-O 3.13Å; R190-N192 VanDerWaalsContact CG-O 3.26Å; R190-N192 WeakPolarHBondContact CG-O 3.34Å; R190-N192 PolarHBondContact NE-O 3.04Å; R190-N192 PolarHBondContact NH1-O 3.01Å; R190-N192 PolarHBondContact O-N 3.35Å; R190-R193 VanDerWaalsContact NH2-CA 3.29Å; R190-R193 PolarHBondContact NH2-O 3.13Å; R190-N194 PolarHBondContact NH1-O 3.03Å; R190-N194 PolarHBondContact NH2-O 3.23Å; R190-Y196 PolarHBondContact NH2-O 2.91Å
191	D	89.3	Confident	93.8	Very high	175 Å²	175	52.9 Å²	52.9	94%	0.936	27%	0.273	S	S	*	.	S	Bend	trans	-79.5	-12.5	-174.9	-58	-39.8	0	0	0	113.8
192	N	90.5	Very high	93.8	Very high	77 Å²	77	51.7 Å²	51.7	41%	0.412	27%	0.268	S	S	.	.			trans	-136.4	158.2	-178.7	71.4	84.9	0	0	0	110.8	R190 N194	R190-N192 VanDerWaalsContact C-N 3.3Å; R190-N192 WeakPolarHBondContact CD-O 3.13Å; R190-N192 VanDerWaalsContact CG-O 3.26Å; R190-N192 WeakPolarHBondContact CG-O 3.34Å; R190-N192 PolarHBondContact NE-O 3.04Å; R190-N192 PolarHBondContact NH1-O 3.01Å; R190-N192 PolarHBondContact O-N 3.35Å; N192-N194 VanDerWaalsContact OD1-CB 3.24Å; N192-N194 WeakPolarHBondContact OD1-CB 3.3Å; N192-N194 VanDerWaalsContact OD1-CG 3.3Å; N192-N194 PolarHBondContact OD1-N 3.32Å; N192-N194 VanDerWaalsContact OD1-N 3.12Å; N192-N194 PolarHBondContact OD1-ND2 3.45Å
193	R	89.2	Confident	93.9	Very high	64 Å²	64	52.9 Å²	52.9	24%	0.242	26%	0.26	C	S	.	.			trans	-107.4	24.7	180	-65	-171.5	64.2	-147.5	2.9	114.2	Y131 D161 R190 G195 Y196	Y131-R193 VanDerWaalsContact CD1-NH2 3.33Å; Y131-R193 VanDerWaalsContact CE2-NH2 3.32Å; Y131-R193 VanDerWaalsContact CZ-CZ 3.41Å; Y131-R193 PolarHBondContact OH-NH1 3.04Å; D161-R193 WeakPolarHBondContact O-CD 3.45Å; D161-R193 PolarHBondContact O-NE 3.23Å; D161-R193 IonicContact OD2-NE 3.72Å; R190-R193 VanDerWaalsContact NH2-CA 3.29Å; R190-R193 PolarHBondContact NH2-O 3.13Å; R193-G195 PolarHBondContact O-N 3.21Å; R193-Y196 PolarHBondContact O-N 3.13Å
194	N	90.1	Very high	93.9	Very high	116 Å²	116	52.4 Å²	52.4	62%	0.62	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	132.1	-177.4	-64.5	-21.2	0	0	0	110.5	R190 N192 Y196	R190-N194 PolarHBondContact NH1-O 3.03Å; R190-N194 PolarHBondContact NH2-O 3.23Å; N192-N194 VanDerWaalsContact OD1-CB 3.24Å; N192-N194 WeakPolarHBondContact OD1-CB 3.3Å; N192-N194 VanDerWaalsContact OD1-CG 3.3Å; N192-N194 PolarHBondContact OD1-N 3.32Å; N192-N194 VanDerWaalsContact OD1-N 3.12Å; N192-N194 PolarHBondContact OD1-ND2 3.45Å; N194-Y196 PolarHBondContact O-N 3.27Å
195	G	87.1	Confident	93.9	Very high	22 Å²	22	51.8 Å²	51.8	23%	0.227	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.5	7.9	-176.4	0	0	0	0	0	115.5	R193 K197 A198 G199	R193-G195 PolarHBondContact O-N 3.21Å; G195-K197 PolarHBondContact O-N 3.49Å; G195-A198 WeakPolarHBondContact O-CB 3.43Å; G195-A198 PolarHBondContact O-N 3.41Å; G195-A198 VanDerWaalsContact O-N 3.13Å; G195-G199 PolarHBondContact O-N 3.41Å; G195-G199 VanDerWaalsContact O-N 3.11Å
196	Y	90.7	Very high	93.8	Very high	79 Å²	79	57.1 Å²	57.1	31%	0.31	28%	0.276	S	S	.	.	H	α-helix	trans	47.9	-131.1	176	-54.6	-80.8	0	0	0	112.4	R190 R193 N194 A198 G199 A200 W476	R190-Y196 PolarHBondContact NH2-O 2.91Å; R193-Y196 PolarHBondContact O-N 3.13Å; N194-Y196 PolarHBondContact O-N 3.27Å; Y196-A198 VanDerWaalsContact C-N 3.31Å; Y196-A198 PolarHBondContact O-N 2.98Å; Y196-G199 PolarHBondContact O-N 3.43Å; Y196-G199 VanDerWaalsContact O-N 3.12Å; Y196-A200 PolarHBondContact O-N 2.92Å; Y196-W476 HydrophobicContact CD1-CB 3.81Å; Y196-W476 HydrophobicContact CD1-CE3 4.26Å; Y196-W476 HydrophobicContact CD1-CG 4.36Å; Y196-W476 HydrophobicContact CD2-CB 3.53Å; Y196-W476 HydrophobicContact CD2-CG 4.39Å; Y196-W476 HydrophobicContact CE1-CB 3.87Å; Y196-W476 HydrophobicContact CE2-CB 3.61Å; Y196-W476 HydrophobicContact CG-CB 3.63Å; Y196-W476 HydrophobicContact CG-CG 4.14Å
197	K	93.5	Very high	93.8	Very high	36 Å²	36	56.6 Å²	56.6	16%	0.157	27%	0.274	C	S	.	.	H	α-helix	trans	-53.9	-43.4	178.7	177.7	176.7	167.3	-178.4	0	112.8	P129 G195 G199 A200 L201 D220 G290 E313	P129-K197 HydrophobicContact CB-CG 4.18Å; P129-K197 HydrophobicContact CG-CD 4.27Å; P129-K197 HydrophobicContact CG-CG 4.18Å; G195-K197 PolarHBondContact O-N 3.49Å; K197-G199 VanDerWaalsContact C-N 3.31Å; K197-G199 PolarHBondContact O-N 3.48Å; K197-A200 PolarHBondContact O-N 2.81Å; K197-L201 HydrophobicContact CG-CD1 3.85Å; K197-L201 HydrophobicContact CG-CG 4.29Å; K197-L201 WeakPolarHBondContact O-CB 3.36Å; K197-L201 VanDerWaalsContact O-CG 3.29Å; K197-L201 WeakPolarHBondContact O-CG 3.09Å; K197-L201 PolarHBondContact O-N 3.1Å; K197-D220 WeakPolarHBondContact CE-OD1 3.33Å; K197-D220 IonicContact NZ-OD1 2.69Å; K197-D220 PolarHBondContact NZ-OD1 3.05Å; K197-D220 IonicContact NZ-OD2 3.16Å; K197-D220 PolarHBondContact NZ-OD2 3.35Å; K197-G290 PolarHBondContact NZ-O 3.4Å; K197-E313 WeakPolarHBondContact CD-OE1 3.38Å
198	A	93.4	Very high	93.8	Very high	3 Å²	3	60.8 Å²	60.8	3%	0.025	29%	0.294	C	S	.	.	H	α-helix	trans	-60.9	-41.7	178.9	0	0	0	0	0	112	G195 Y196 K202 D308 E313	G195-A198 WeakPolarHBondContact O-CB 3.43Å; G195-A198 PolarHBondContact O-N 3.41Å; G195-A198 VanDerWaalsContact O-N 3.13Å; Y196-A198 VanDerWaalsContact C-N 3.31Å; Y196-A198 PolarHBondContact O-N 2.98Å; A198-K202 VanDerWaalsContact O-CB 3.24Å; A198-K202 WeakPolarHBondContact O-CB 3.4Å; A198-K202 PolarHBondContact O-N 3.47Å; A198-D308 HydrophobicContact CB-CB 3.94Å; A198-E313 HydrophobicContact CB-CB 3.5Å; A198-E313 HydrophobicContact CB-CG 3.6Å
199	G	94.4	Very high	93.7	Very high	6 Å²	6	60.5 Å²	60.5	6%	0.062	29%	0.292	C	S	.	.	H	α-helix	trans	-64.9	-45.2	175.4	0	0	0	0	0	112.4	G195 Y196 K197 K202 E203	G195-G199 PolarHBondContact O-N 3.41Å; G195-G199 VanDerWaalsContact O-N 3.11Å; Y196-G199 PolarHBondContact O-N 3.43Å; Y196-G199 VanDerWaalsContact O-N 3.12Å; K197-G199 VanDerWaalsContact C-N 3.31Å; K197-G199 PolarHBondContact O-N 3.48Å; G199-K202 PolarHBondContact O-N 2.95Å; G199-E203 WeakPolarHBondContact O-CG 3.28Å; G199-E203 PolarHBondContact O-N 3.4Å
200	A	95.8	Very high	93.8	Very high	5 Å²	5	56.3 Å²	56.3	4%	0.041	28%	0.276	C	S	.	.	H	α-helix	trans	-60.4	-48	176.8	0	0	0	0	0	111.6	L159 Y196 K197 K202 E203 G204	L159-A200 HydrophobicContact CB-CB 4.41Å; Y196-A200 PolarHBondContact O-N 2.92Å; K197-A200 PolarHBondContact O-N 2.81Å; A200-K202 VanDerWaalsContact C-N 3.35Å; A200-K202 PolarHBondContact O-N 3.12Å; A200-E203 PolarHBondContact O-N 3.44Å; A200-G204 PolarHBondContact O-N 3.4Å
201	L	96.6	Very high	93.8	Very high	1 Å²	1	61.4 Å²	61.4	1%	0.005	30%	0.299	C	S	.	.	H	α-helix	trans	-59.9	-44.3	175.5	-68.1	169.5	0	0	0	111.3	Q127 P129 L159 K197 G204 M205 I218 W306	Q127-L201 HydrophobicContact CB-CD2 4.15Å; P129-L201 HydrophobicContact CG-CD2 4.25Å; L159-L201 HydrophobicContact CD1-CD2 3.83Å; L159-L201 HydrophobicContact CD1-CG 4.45Å; K197-L201 HydrophobicContact CG-CD1 3.85Å; K197-L201 HydrophobicContact CG-CG 4.29Å; K197-L201 WeakPolarHBondContact O-CB 3.36Å; K197-L201 VanDerWaalsContact O-CG 3.29Å; K197-L201 WeakPolarHBondContact O-CG 3.09Å; K197-L201 PolarHBondContact O-N 3.1Å; L201-G204 PolarHBondContact O-N 2.74Å; L201-M205 VanDerWaalsContact O-CG 3.24Å; L201-M205 WeakPolarHBondContact O-CG 3.29Å; L201-M205 PolarHBondContact O-N 3.39Å; L201-M205 VanDerWaalsContact O-N 3.1Å; L201-I218 HydrophobicContact CD2-CG1 4.39Å; L201-I218 HydrophobicContact CD2-CG2 4.23Å; L201-W306 HydrophobicContact CB-CD2 4.17Å; L201-W306 HydrophobicContact CB-CG 3.97Å; L201-W306 HydrophobicContact CD1-CD2 4.15Å; L201-W306 HydrophobicContact CD1-CE3 4.38Å; L201-W306 HydrophobicContact CD1-CH2 4.27Å; L201-W306 HydrophobicContact CD1-CZ2 4Å; L201-W306 HydrophobicContact CD1-CZ3 4.43Å
202	K	95.9	Very high	94.1	Very high	96 Å²	96	58.6 Å²	58.6	42%	0.417	28%	0.283	S	S	.	.	H	α-helix	trans	-60.5	-45.9	178	-173.2	178.6	-178.8	175.8	0	112.9	A198 G199 A200 M205 W306	A198-K202 VanDerWaalsContact O-CB 3.24Å; A198-K202 WeakPolarHBondContact O-CB 3.4Å; A198-K202 PolarHBondContact O-N 3.47Å; G199-K202 PolarHBondContact O-N 2.95Å; A200-K202 VanDerWaalsContact C-N 3.35Å; A200-K202 PolarHBondContact O-N 3.12Å; K202-M205 PolarHBondContact O-N 2.87Å; K202-W306 HydrophobicContact CB-CB 4.06Å
203	E	96	Very high	94.4	Very high	77 Å²	77	55.3 Å²	55.3	36%	0.36	27%	0.266	S	S	.	.	H	α-helix	trans	-64.4	-42.8	175.7	-67.7	-51.6	129.4	0	0	110.9	G199 A200 M205 K206	G199-E203 WeakPolarHBondContact O-CG 3.28Å; G199-E203 PolarHBondContact O-N 3.4Å; A200-E203 PolarHBondContact O-N 3.44Å; E203-M205 PolarHBondContact O-N 2.9Å; E203-M205 VanDerWaalsContact O-N 3.14Å; E203-K206 WeakPolarHBondContact O-CB 3.47Å; E203-K206 PolarHBondContact O-N 2.75Å; E203-K206 WeakPolarHBondContact OE1-CE 3.21Å; E203-K206 IonicContact OE1-NZ 3.99Å; E203-K206 PolarHBondContact OE1-NZ 3.3Å; E203-K206 WeakPolarHBondContact OE2-CE 3.2Å; E203-K206 IonicContact OE2-NZ 2.74Å; E203-K206 PolarHBondContact OE2-NZ 3.41Å
204	G	96.5	Very high	94.8	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.01	28%	0.276	C	S	.	.	H	α-helix	trans	-55	-33.1	176.1	0	0	0	0	0	113.8	Q157 A200 L201 K206 H207 V210	Q157-G204 PolarHBondContact NE2-O 3.45Å; Q157-G204 PolarHBondContact OE1-O 3.47Å; A200-G204 PolarHBondContact O-N 3.4Å; L201-G204 PolarHBondContact O-N 2.74Å; G204-K206 VanDerWaalsContact C-N 3.27Å; G204-K206 PolarHBondContact O-N 2.85Å; G204-H207 PolarHBondContact O-CD2 3.2Å; G204-V210 WeakPolarHBondContact O-CG2 3.42Å
205	M	96.6	Very high	95.2	Very high	41 Å²	41	51.2 Å²	51.2	20%	0.202	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-11.8	179	-64.2	-65.8	-72.6	0	0	114.4	L125 L201 K202 E203 V210 M297 M300	L125-M205 HydrophobicContact CD2-SD 4.32Å; L201-M205 VanDerWaalsContact O-CG 3.24Å; L201-M205 WeakPolarHBondContact O-CG 3.29Å; L201-M205 PolarHBondContact O-N 3.39Å; L201-M205 VanDerWaalsContact O-N 3.1Å; K202-M205 PolarHBondContact O-N 2.87Å; E203-M205 PolarHBondContact O-N 2.9Å; E203-M205 VanDerWaalsContact O-N 3.14Å; M205-V210 HydrophobicContact CE-CG1 4.24Å; M205-V210 HydrophobicContact SD-CG1 4.1Å; M205-M297 HydrophobicContact CE-CE 3.32Å; M205-M297 HydrophobicContact CE-SD 3.62Å; M205-M297 HydrophobicContact SD-CE 4.37Å; M205-M300 HydrophobicContact CE-CE 4.16Å
206	K	95.6	Very high	95.7	Very high	117 Å²	117	50.1 Å²	50.1	51%	0.509	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-15.1	-174.7	-62.9	-179.3	-172.5	169	0	114.2	E203 G204	E203-K206 WeakPolarHBondContact O-CB 3.47Å; E203-K206 PolarHBondContact O-N 2.75Å; E203-K206 WeakPolarHBondContact OE1-CE 3.21Å; E203-K206 IonicContact OE1-NZ 3.99Å; E203-K206 PolarHBondContact OE1-NZ 3.3Å; E203-K206 WeakPolarHBondContact OE2-CE 3.2Å; E203-K206 IonicContact OE2-NZ 2.74Å; E203-K206 PolarHBondContact OE2-NZ 3.41Å; G204-K206 VanDerWaalsContact C-N 3.27Å; G204-K206 PolarHBondContact O-N 2.85Å
207	H	96.3	Very high	96.1	Very high	56 Å²	56	46.4 Å²	46.4	26%	0.259	22%	0.223	S	C	.	.	S	Bend	trans	-68	144.4	-174.8	-66	-98.3	0	0	0	111.6	E188 G204 Y209 V210	E188-H207 IonicContact OE1-CE1 3.29Å; E188-H207 PolarHBondContact OE1-CE1 3Å; E188-H207 IonicContact OE1-ND1 3.98Å; E188-H207 PolarHBondContact OE1-ND1 3.42Å; E188-H207 IonicContact OE2-CE1 3.74Å; E188-H207 PolarHBondContact OE2-CE1 2.86Å; E188-H207 IonicContact OE2-ND1 3.92Å; E188-H207 IonicContact OE2-NE2 3.59Å; G204-H207 PolarHBondContact O-CD2 3.2Å; H207-Y209 VanDerWaalsContact C-N 3.29Å; H207-Y209 HydrophobicContact CB-CD1 3.87Å; H207-Y209 HydrophobicContact CB-CE1 3.4Å; H207-Y209 VanDerWaalsContact CB-CE1 3.4Å; H207-Y209 HydrophobicContact CB-CE2 4.2Å; H207-Y209 HydrophobicContact CB-CG 4.45Å; H207-Y209 AromaticContact CG-CE1 3.87Å; H207-Y209 AromaticContact CG-CZ 3.96Å; H207-Y209 PolarHBondContact O-N 3.45Å; H207-V210 HydrophobicContact CB-CG2 4.18Å; H207-V210 WeakPolarHBondContact O-CB 3.35Å; H207-V210 PolarHBondContact O-N 2.75Å
208	N	96.1	Very high	96.3	Very high	124 Å²	124	44.7 Å²	44.7	66%	0.663	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-60.5	-35.3	-173.7	-73.3	-31.1	0	0	0	113.6	V210 K211	N208-V210 PolarHBondContact O-N 2.94Å; N208-K211 WeakPolarHBondContact O-CB 3.42Å; N208-K211 PolarHBondContact O-N 2.89Å
209	Y	95.6	Very high	96.5	Very high	43 Å²	43	44.7 Å²	44.7	17%	0.169	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-67.5	-23	178	61	-103.7	0	0	0	112.9	L125 I155 Q157 K186 E188 H207 K211 L212	L125-Y209 HydrophobicContact CD1-CE2 4.19Å; I155-Y209 HydrophobicContact CD1-CD2 4.03Å; I155-Y209 HydrophobicContact CD1-CG 4.48Å; I155-Y209 HydrophobicContact CG2-CD2 3.94Å; I155-Y209 HydrophobicContact CG2-CE2 4.02Å; Q157-Y209 PolarHBondContact NE2-OH 3.3Å; K186-Y209 HydrophobicContact CB-CE1 4.47Å; K186-Y209 HydrophobicContact CG-CE1 4Å; K186-Y209 HydrophobicContact CG-CE2 4.46Å; E188-Y209 PolarHBondContact OE1-OH 3.36Å; H207-Y209 VanDerWaalsContact C-N 3.29Å; H207-Y209 HydrophobicContact CB-CD1 3.87Å; H207-Y209 HydrophobicContact CB-CE1 3.4Å; H207-Y209 VanDerWaalsContact CB-CE1 3.4Å; H207-Y209 HydrophobicContact CB-CE2 4.2Å; H207-Y209 HydrophobicContact CB-CG 4.45Å; H207-Y209 AromaticContact CG-CE1 3.87Å; H207-Y209 AromaticContact CG-CZ 3.96Å; H207-Y209 PolarHBondContact O-N 3.45Å; Y209-K211 VanDerWaalsContact C-N 3.28Å; Y209-K211 PolarHBondContact O-N 2.87Å; Y209-L212 WeakPolarHBondContact O-CB 3.26Å; Y209-L212 PolarHBondContact O-N 2.96Å
210	V	96.7	Very high	96.6	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.012	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-68.3	-31.5	177.5	175.5	0	0	0	0	111.1	L125 G204 M205 H207 N208 L212 C213 M297	L125-V210 HydrophobicContact CD1-CG2 4.36Å; L125-V210 HydrophobicContact CD2-CB 4.36Å; L125-V210 HydrophobicContact CD2-CG1 3.83Å; L125-V210 HydrophobicContact CD2-CG2 3.77Å; G204-V210 WeakPolarHBondContact O-CG2 3.42Å; M205-V210 HydrophobicContact CE-CG1 4.24Å; M205-V210 HydrophobicContact SD-CG1 4.1Å; H207-V210 HydrophobicContact CB-CG2 4.18Å; H207-V210 WeakPolarHBondContact O-CB 3.35Å; H207-V210 PolarHBondContact O-N 2.75Å; N208-V210 PolarHBondContact O-N 2.94Å; V210-L212 PolarHBondContact O-N 3.37Å; V210-L212 VanDerWaalsContact O-N 3.16Å; V210-C213 WeakPolarHBondContact O-CB 3.26Å; V210-C213 PolarHBondContact O-N 3.22Å; V210-M297 HydrophobicContact CG1-CE 3.42Å; V210-M297 VanDerWaalsContact CG1-CE 3.42Å
211	K	94.3	Very high	96.4	Very high	148 Å²	148	46.1 Å²	46.1	64%	0.643	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-64.7	-17.7	177	-59.6	177.9	-179.4	168.7	0	113.4	N208 Y209 C213	N208-K211 WeakPolarHBondContact O-CB 3.42Å; N208-K211 PolarHBondContact O-N 2.89Å; Y209-K211 VanDerWaalsContact C-N 3.28Å; Y209-K211 PolarHBondContact O-N 2.87Å; K211-C213 VanDerWaalsContact C-N 3.34Å
212	L	94.6	Very high	96	Very high	116 Å²	116	46.6 Å²	46.6	61%	0.607	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-82.4	-16.5	175.1	-55.8	176.6	0	0	0	112.1	M123 Y209 V210	M123-L212 WeakPolarHBondContact CB-O 3.43Å; M123-L212 WeakPolarHBondContact CG-O 3.39Å; Y209-L212 WeakPolarHBondContact O-CB 3.26Å; Y209-L212 PolarHBondContact O-N 2.96Å; V210-L212 PolarHBondContact O-N 3.37Å; V210-L212 VanDerWaalsContact O-N 3.16Å
213	C	97.6	Very high	96	Very high	8 Å²	8	42.3 Å²	42.3	5%	0.054	21%	0.205	C	C	.	.			trans	-82.3	138	-174.7	-60.9	0	0	0	0	111.4	M123 L125 V210 K211 M297	M123-C213 HydrophobicContact CB-CB 4.45Å; L125-C213 HydrophobicContact CB-CB 4.08Å; V210-C213 WeakPolarHBondContact O-CB 3.26Å; V210-C213 PolarHBondContact O-N 3.22Å; K211-C213 VanDerWaalsContact C-N 3.34Å; C213-M297 WeakPolarHBondContact O-CG 3.22Å
214	N	97.6	Very high	95.9	Very high	82 Å²	82	40 Å²	40	44%	0.439	19%	0.194	S	C	.	.	S	Bend	trans	-89.9	-30.1	173.7	-54.3	102	0	0	0	111.5	P122 M123 M297	P122-N214 HydrophobicContact CB-CB 4.02Å; M123-N214 PolarHBondContact N-OD1 3.32Å; M123-N214 VanDerWaalsContact N-OD1 3.08Å; M123-N214 PolarHBondContact O-N 3.41Å; N214-M297 WeakPolarHBondContact O-CB 3.25Å; N214-M297 VanDerWaalsContact O-CG 3.25Å; N214-M297 WeakPolarHBondContact O-CG 3.46Å; N214-M297 PolarHBondContact O-N 3.02Å
215	Y	98.5	Very high	96	Very high	12 Å²	12	40.4 Å²	40.4	5%	0.047	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	148.9	-176.6	-55.2	-67.9	0	0	0	111.5	P122 M123 L125 V234 L237 V238 W295 R296	P122-Y215 HydrophobicContact CB-CD2 3.72Å; P122-Y215 HydrophobicContact CB-CE2 3.49Å; P122-Y215 VanDerWaalsContact CB-CE2 3.49Å; P122-Y215 HydrophobicContact CG-CD2 3.74Å; P122-Y215 HydrophobicContact CG-CE2 3.49Å; P122-Y215 VanDerWaalsContact CG-CE2 3.49Å; M123-Y215 PolarHBondContact O-N 3.44Å; L125-Y215 PolarHBondContact N-O 3.45Å; Y215-V234 HydrophobicContact CD2-CG1 4.04Å; Y215-V234 HydrophobicContact CE2-CG1 4.15Å; Y215-L237 HydrophobicContact CD1-CB 3.99Å; Y215-L237 HydrophobicContact CD1-CD1 3.85Å; Y215-L237 HydrophobicContact CD1-CG 4.36Å; Y215-L237 HydrophobicContact CE1-CB 3.39Å; Y215-L237 HydrophobicContact CE1-CD1 4.14Å; Y215-L237 HydrophobicContact CE1-CD2 4.32Å; Y215-L237 HydrophobicContact CE1-CG 4.16Å; Y215-L237 HydrophobicContact CG-CD1 4.49Å; Y215-L237 PolarHBondContact OH-O 3.12Å; Y215-V238 HydrophobicContact CE2-CG2 4.05Å; Y215-V238 WeakPolarHBondContact OH-CA 3.38Å; Y215-V238 PolarHBondContact OH-N 3.05Å; Y215-W295 CarbonylContact C-O 3.59Å; Y215-W295 VanDerWaalsContact CA-O 3.23Å; Y215-W295 WeakPolarHBondContact CA-O 3.43Å; Y215-R296 HydrophobicContact CD1-CB 4.31Å; Y215-R296 HydrophobicContact CE1-CB 4.22Å; Y215-R296 HydrophobicContact CE1-CG 4.22Å; Y215-R296 PolarHBondContact OH-NH1 3.24Å
216	V	98.4	Very high	96	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	134	171.8	60.7	0	0	0	0	110.9	L125 Q127 V294 W295 M297 M300	L125-V216 HydrophobicContact CB-CB 4.21Å; L125-V216 HydrophobicContact CB-CG2 4.09Å; L125-V216 HydrophobicContact CD2-CB 4.39Å; L125-V216 HydrophobicContact CD2-CG2 3.81Å; L125-V216 HydrophobicContact CG-CG2 4.05Å; L125-V216 CarbonylContact O-C 3.51Å; L125-V216 VanDerWaalsContact O-CA 3.26Å; L125-V216 WeakPolarHBondContact O-CA 3.16Å; Q127-V216 HydrophobicContact CG-CG2 3.86Å; V216-V294 CarbonylContact O-C 3.56Å; V216-V294 WeakPolarHBondContact O-CA 3.48Å; V216-W295 HydrophobicContact CG1-CB 3.85Å; V216-W295 PolarHBondContact N-O 2.73Å; V216-W295 PolarHBondContact O-N 2.88Å; V216-M297 HydrophobicContact CB-SD 3.59Å; V216-M297 VanDerWaalsContact CB-SD 3.59Å; V216-M297 HydrophobicContact CG1-SD 3.48Å; V216-M297 WeakPolarHBondContact CG1-SD 2.77Å; V216-M300 HydrophobicContact CG1-CE 4.27Å; V216-M300 HydrophobicContact CG1-SD 3.34Å; V216-M300 WeakPolarHBondContact CG1-SD 3.39Å
217	V	98.4	Very high	96	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	137.7	174	-167.9	0	0	0	0	108.8	V124 L125 V126 Q127 F219 Y229 L230 G293 V294	V124-V217 HydrophobicContact CG1-CG2 3.91Å; L125-V217 PolarHBondContact O-N 2.82Å; V126-V217 CarbonylContact C-O 3.02Å; V126-V217 HydrophobicContact CG2-CB 4.46Å; Q127-V217 PolarHBondContact N-O 2.88Å; V217-F219 HydrophobicContact CB-CE2 4.27Å; V217-F219 HydrophobicContact CG1-CD2 4.04Å; V217-F219 HydrophobicContact CG1-CE1 4.13Å; V217-F219 HydrophobicContact CG1-CE2 3.42Å; V217-F219 VanDerWaalsContact CG1-CE2 3.42Å; V217-F219 HydrophobicContact CG1-CZ 3.48Å; V217-F219 VanDerWaalsContact CG1-CZ 3.48Å; V217-Y229 HydrophobicContact CG1-CE1 3.8Å; V217-L230 HydrophobicContact CG2-CD2 3.72Å; V217-G293 WeakPolarHBondContact CA-O 3.29Å; V217-V294 HydrophobicContact CB-CG2 4.44Å; V217-V294 HydrophobicContact CG1-CG2 4.17Å; V217-V294 HydrophobicContact CG2-CB 4.13Å; V217-V294 HydrophobicContact CG2-CG1 3.92Å; V217-V294 HydrophobicContact CG2-CG2 3.61Å
218	I	98	Very high	96.1	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	125.2	176.1	-56.2	91.1	0	0	0	108.8	P129 L201 F288 G290 T291 A292 G293 W306	P129-I218 HydrophobicContact CG-CG2 4.47Å; L201-I218 HydrophobicContact CD2-CG1 4.39Å; L201-I218 HydrophobicContact CD2-CG2 4.23Å; I218-F288 HydrophobicContact CB-CZ 4.36Å; I218-F288 HydrophobicContact CD1-CE1 4.31Å; I218-F288 HydrophobicContact CD1-CZ 4.14Å; I218-G290 WeakPolarHBondContact CG2-O 3.45Å; I218-T291 CarbonylContact O-C 3.51Å; I218-T291 WeakPolarHBondContact O-CA 3.44Å; I218-A292 PolarHBondContact O-N 2.62Å; I218-G293 PolarHBondContact N-O 2.8Å; I218-W306 HydrophobicContact CD1-CH2 4.39Å; I218-W306 HydrophobicContact CD1-CZ2 3.96Å; I218-W306 HydrophobicContact CG1-CZ2 4.17Å
219	F	97.8	Very high	96.2	Very high	3 Å²	3	32.8 Å²	32.8	1%	0.013	17%	0.165	C	C	.	.			trans	-122.6	121.5	169.4	-65.7	-63.9	0	0	0	110.3	V126 Q127 I128 P129 L147 V217 F223 P225 Y229 T291 A292 V336	V126-F219 HydrophobicContact CG1-CD2 3.67Å; V126-F219 HydrophobicContact CG1-CE2 3.96Å; Q127-F219 PolarHBondContact O-N 3.42Å; I128-F219 WeakPolarHBondContact CA-O 3.48Å; P129-F219 WeakPolarHBondContact CD-O 3.37Å; L147-F219 HydrophobicContact CD1-CE2 4.16Å; V217-F219 HydrophobicContact CB-CE2 4.27Å; V217-F219 HydrophobicContact CG1-CD2 4.04Å; V217-F219 HydrophobicContact CG1-CE1 4.13Å; V217-F219 HydrophobicContact CG1-CE2 3.42Å; V217-F219 VanDerWaalsContact CG1-CE2 3.42Å; V217-F219 HydrophobicContact CG1-CZ 3.48Å; V217-F219 VanDerWaalsContact CG1-CZ 3.48Å; F219-F223 HydrophobicContact CB-CB 4.26Å; F219-F223 HydrophobicContact CD1-CB 4.24Å; F219-P225 HydrophobicContact CD1-CG 4.43Å; F219-P225 HydrophobicContact CD2-CG 4.2Å; F219-P225 HydrophobicContact CE1-CB 3.83Å; F219-P225 HydrophobicContact CE1-CG 4.03Å; F219-P225 HydrophobicContact CE2-CB 4.2Å; F219-P225 HydrophobicContact CE2-CG 3.78Å; F219-P225 HydrophobicContact CZ-CB 3.59Å; F219-P225 HydrophobicContact CZ-CG 3.67Å; F219-Y229 HydrophobicContact CE1-CE1 4.25Å; F219-Y229 HydrophobicContact CE1-CE2 4.26Å; F219-Y229 AromaticContact CZ-CD1 3.75Å; F219-Y229 HydrophobicContact CZ-CD1 3.75Å; F219-Y229 HydrophobicContact CZ-CD2 4.45Å; F219-Y229 AromaticContact CZ-CE1 3.57Å; F219-Y229 HydrophobicContact CZ-CE1 3.57Å; F219-Y229 HydrophobicContact CZ-CE2 4.27Å; F219-Y229 HydrophobicContact CZ-CG 4.21Å; F219-Y229 AromaticContact CZ-CZ 3.85Å; F219-T291 WeakPolarHBondContact CA-OG1 3.44Å; F219-A292 HydrophobicContact CE1-CB 4.34Å; F219-V336 HydrophobicContact CD1-CG1 4.34Å; F219-V336 HydrophobicContact CE1-CG1 4.16Å; F219-V336 HydrophobicContact CE1-CG2 4.25Å
220	D	95	Very high	96.3	Very high	38 Å²	38	30.7 Å²	30.7	20%	0.203	16%	0.157	C	C	.	.			trans	-61.8	156.1	168.4	-77	-21.7	0	0	0	111.1	K197 D222 F223 T291	K197-D220 WeakPolarHBondContact CE-OD1 3.33Å; K197-D220 IonicContact NZ-OD1 2.69Å; K197-D220 PolarHBondContact NZ-OD1 3.05Å; K197-D220 IonicContact NZ-OD2 3.16Å; K197-D220 PolarHBondContact NZ-OD2 3.35Å; D220-D222 PolarHBondContact O-N 2.87Å; D220-F223 HydrophobicContact CB-CD2 3.62Å; D220-F223 HydrophobicContact CB-CE2 3.98Å; D220-F223 WeakPolarHBondContact O-CB 3.47Å; D220-F223 PolarHBondContact O-N 2.96Å; D220-T291 HydrophobicContact CB-CG2 4.4Å; D220-T291 PolarHBondContact N-OG1 2.63Å; D220-T291 WeakPolarHBondContact OD2-CG2 3.45Å
221	A	91.9	Very high	96.2	Very high	4 Å²	4	34.1 Å²	34.1	3%	0.033	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-19.6	-174.1	0	0	0	0	0	115.2	M130 E133 V136 S140	M130-A221 HydrophobicContact CE-CB 4.25Å; M130-A221 HydrophobicContact CG-CB 3.96Å; E133-A221 HydrophobicContact CB-CB 4.05Å; E133-A221 HydrophobicContact CG-CB 3.79Å; V136-A221 WeakPolarHBondContact CB-O 3.46Å; V136-A221 HydrophobicContact CG2-CB 4.22Å; V136-A221 WeakPolarHBondContact CG2-O 3.14Å; S140-A221 WeakPolarHBondContact CB-O 3.17Å; S140-A221 PolarHBondContact OG-O 2.82Å
222	D	89.8	Confident	96.3	Very high	10 Å²	10	30.7 Å²	30.7	5%	0.053	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	2.6	176.1	66.6	-40.4	0	0	0	114.4	D220 K481	D220-D222 PolarHBondContact O-N 2.87Å; D222-K481 HydrophobicContact CB-CB 4.49Å; D222-K481 HydrophobicContact CB-CG 4.12Å; D222-K481 WeakPolarHBondContact OD2-CE 3.39Å; D222-K481 IonicContact OD2-NZ 2.86Å; D222-K481 PolarHBondContact OD2-NZ 3.45Å
223	F	94.8	Very high	96.5	Very high	6 Å²	6	25.2 Å²	25.2	3%	0.026	13%	0.13	C	C	.	.			trans	-92.9	138.1	-178.5	-77.9	-115.4	0	0	0	111.8	F219 D220 W250 T291 A292 V336 K337 S338	F219-F223 HydrophobicContact CB-CB 4.26Å; F219-F223 HydrophobicContact CD1-CB 4.24Å; D220-F223 HydrophobicContact CB-CD2 3.62Å; D220-F223 HydrophobicContact CB-CE2 3.98Å; D220-F223 WeakPolarHBondContact O-CB 3.47Å; D220-F223 PolarHBondContact O-N 2.96Å; F223-W250 AromaticContact CE1-CD1 3.56Å; F223-W250 AromaticContact CE1-CD2 4Å; F223-W250 HydrophobicContact CE1-CD2 4Å; F223-W250 AromaticContact CE1-CE2 3.8Å; F223-W250 AromaticContact CE1-CG 3.81Å; F223-W250 HydrophobicContact CE1-CG 3.81Å; F223-W250 HydrophobicContact CE1-CZ2 4.47Å; F223-W250 AromaticContact CE1-NE1 3.54Å; F223-W250 AromaticContact CZ-CD2 3.81Å; F223-W250 HydrophobicContact CZ-CD2 3.81Å; F223-W250 AromaticContact CZ-CE2 3.66Å; F223-W250 HydrophobicContact CZ-CE3 4.31Å; F223-W250 HydrophobicContact CZ-CG 4.1Å; F223-W250 HydrophobicContact CZ-CH2 4.5Å; F223-W250 AromaticContact CZ-CZ2 3.98Å; F223-W250 HydrophobicContact CZ-CZ2 3.98Å; F223-W250 AromaticContact CZ-NE1 3.91Å; F223-T291 HydrophobicContact CD1-CG2 4.11Å; F223-T291 WeakPolarHBondContact CD1-OG1 3.31Å; F223-T291 HydrophobicContact CD2-CG2 4.14Å; F223-T291 HydrophobicContact CE1-CG2 3.55Å; F223-T291 HydrophobicContact CE2-CG2 3.58Å; F223-T291 HydrophobicContact CG-CG2 4.4Å; F223-T291 WeakPolarHBondContact CG-OG1 3.49Å; F223-T291 HydrophobicContact CZ-CG2 3.26Å; F223-A292 HydrophobicContact CD1-CB 4.09Å; F223-A292 HydrophobicContact CE1-CB 4.2Å; F223-V336 HydrophobicContact CB-CG1 4.08Å; F223-V336 HydrophobicContact CD1-CB 4.26Å; F223-V336 HydrophobicContact CD1-CG1 3.64Å; F223-V336 HydrophobicContact CG-CG1 4.34Å; F223-K337 VanDerWaalsContact CA-O 3.32Å; F223-K337 WeakPolarHBondContact CA-O 3.41Å; F223-S338 VanDerWaalsContact CZ-CB 3.48Å
224	Q	94.5	Very high	96.5	Very high	29 Å²	29	24.8 Å²	24.8	14%	0.136	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	-129.9	93.8	-179.5	-64.4	163.3	58.7	0	0	108.4	L139 A143 K337	L139-Q224 HydrophobicContact CB-CG 4.31Å; A143-Q224 HydrophobicContact CB-CB 4.14Å; A143-Q224 HydrophobicContact CB-CG 4.39Å; Q224-K337 HydrophobicContact CB-CB 4.12Å; Q224-K337 PolarHBondContact N-O 3.28Å; Q224-K337 PolarHBondContact O-N 3.04Å
225	P	97	Very high	96.5	Very high	9 Å²	9	20.9 Å²	20.9	6%	0.058	11%	0.106	C	C	.	.			trans	-66.9	150.8	173.7	29.2	-36.6	0	0	0	111.5	A143 L147 F219 Y229 V336	A143-P225 HydrophobicContact CB-CG 4.32Å; L147-P225 HydrophobicContact CD2-CB 4.01Å; L147-P225 HydrophobicContact CD2-CG 4Å; L147-P225 HydrophobicContact CG-CG 4.5Å; F219-P225 HydrophobicContact CD1-CG 4.43Å; F219-P225 HydrophobicContact CD2-CG 4.2Å; F219-P225 HydrophobicContact CE1-CB 3.83Å; F219-P225 HydrophobicContact CE1-CG 4.03Å; F219-P225 HydrophobicContact CE2-CB 4.2Å; F219-P225 HydrophobicContact CE2-CG 3.78Å; F219-P225 HydrophobicContact CZ-CB 3.59Å; F219-P225 HydrophobicContact CZ-CG 3.67Å; P225-Y229 HydrophobicContact CB-CD2 4.32Å; P225-Y229 HydrophobicContact CB-CG 4.11Å; P225-V336 HydrophobicContact CB-CG1 4.35Å
226	E	96.6	Very high	96.4	Very high	68 Å²	68	20.4 Å²	20.4	32%	0.318	10%	0.104	S	C	.	.			trans	-72.2	153.2	166.6	-64	-59.2	155.7	0	0	110.1	L147 D228 Y229 K337	L147-E226 WeakPolarHBondContact CD2-O 3.29Å; E226-D228 VanDerWaalsContact C-N 3.26Å; E226-D228 WeakPolarHBondContact CB-OD1 3.41Å; E226-D228 PolarHBondContact O-N 2.91Å; E226-Y229 VanDerWaalsContact O-CB 3.22Å; E226-Y229 WeakPolarHBondContact O-CB 3.35Å; E226-Y229 PolarHBondContact O-N 3.35Å; E226-Y229 VanDerWaalsContact O-N 3.09Å; E226-K337 WeakPolarHBondContact OE1-CE 3.18Å; E226-K337 IonicContact OE1-NZ 2.62Å; E226-K337 PolarHBondContact OE1-NZ 2.8Å; E226-K337 IonicContact OE2-NZ 3.28Å
227	P	97.4	Very high	96.4	Very high	51 Å²	51	20.4 Å²	20.4	33%	0.331	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-36.2	-176.4	-28	36.6	0	0	0	114.4	L147 I148 Y229	L147-P227 CarbonylContact C-O 3.43Å; L147-P227 WeakPolarHBondContact CA-O 3.5Å; I148-P227 HydrophobicContact CD1-CB 3.73Å; I148-P227 HydrophobicContact CG1-CB 3.77Å; I148-P227 PolarHBondContact N-O 3.29Å; P227-Y229 VanDerWaalsContact C-N 3.27Å; P227-Y229 PolarHBondContact O-N 3.43Å
228	D	96.8	Very high	96.3	Very high	59 Å²	59	22.6 Å²	22.6	32%	0.316	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	2.4	-178.5	59.8	-3.8	0	0	0	114.3	E226 L230 Q231 H232	E226-D228 VanDerWaalsContact C-N 3.26Å; E226-D228 WeakPolarHBondContact CB-OD1 3.41Å; E226-D228 PolarHBondContact O-N 2.91Å; D228-L230 VanDerWaalsContact C-N 3.32Å; D228-L230 PolarHBondContact O-N 3.23Å; D228-Q231 WeakPolarHBondContact O-CB 3.26Å; D228-Q231 PolarHBondContact O-N 2.91Å; D228-H232 PolarHBondContact O-CD2 2.83Å; D228-H232 PolarHBondContact O-N 3.49Å; D228-H232 IonicContact OD2-CD2 2.73Å; D228-H232 IonicContact OD2-NE2 3.61Å
229	Y	98.1	Very high	96.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-50.9	-48	-173.7	174.4	-87.7	0	0	0	113.2	V217 F219 P225 E226 P227 H232 S233 A248 A292 V294 L334 V336	V217-Y229 HydrophobicContact CG1-CE1 3.8Å; F219-Y229 HydrophobicContact CE1-CE1 4.25Å; F219-Y229 HydrophobicContact CE1-CE2 4.26Å; F219-Y229 AromaticContact CZ-CD1 3.75Å; F219-Y229 HydrophobicContact CZ-CD1 3.75Å; F219-Y229 HydrophobicContact CZ-CD2 4.45Å; F219-Y229 AromaticContact CZ-CE1 3.57Å; F219-Y229 HydrophobicContact CZ-CE1 3.57Å; F219-Y229 HydrophobicContact CZ-CE2 4.27Å; F219-Y229 HydrophobicContact CZ-CG 4.21Å; F219-Y229 AromaticContact CZ-CZ 3.85Å; P225-Y229 HydrophobicContact CB-CD2 4.32Å; P225-Y229 HydrophobicContact CB-CG 4.11Å; E226-Y229 VanDerWaalsContact O-CB 3.22Å; E226-Y229 WeakPolarHBondContact O-CB 3.35Å; E226-Y229 PolarHBondContact O-N 3.35Å; E226-Y229 VanDerWaalsContact O-N 3.09Å; P227-Y229 VanDerWaalsContact C-N 3.27Å; P227-Y229 PolarHBondContact O-N 3.43Å; Y229-H232 PolarHBondContact O-N 3.22Å; Y229-S233 PolarHBondContact O-N 3.5Å; Y229-S233 PolarHBondContact O-OG 3.21Å; Y229-A248 HydrophobicContact CE2-CB 3.61Å; Y229-A292 PolarHBondContact OH-O 3.37Å; Y229-V294 HydrophobicContact CE1-CG2 3.79Å; Y229-L334 HydrophobicContact CD2-CD1 4.12Å; Y229-L334 HydrophobicContact CD2-CD2 3.89Å; Y229-L334 HydrophobicContact CD2-CG 4.07Å; Y229-L334 HydrophobicContact CE2-CD2 3.85Å; Y229-L334 HydrophobicContact CE2-CG 4.23Å; Y229-V336 HydrophobicContact CD2-CG2 3.64Å; Y229-V336 HydrophobicContact CE2-CG2 3.41Å; Y229-V336 VanDerWaalsContact CE2-CG2 3.41Å
230	L	97.7	Very high	96.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-67.1	-37.3	-178.8	-66.3	-179.4	0	0	0	112.3	V124 L147 W149 L154 V217 D228 H232 S233 V234	V124-L230 HydrophobicContact CG1-CD1 4.22Å; V124-L230 HydrophobicContact CG1-CD2 4.05Å; L147-L230 HydrophobicContact CB-CD1 4.04Å; L147-L230 HydrophobicContact CB-CG 4.44Å; L147-L230 HydrophobicContact CD1-CD1 4.04Å; L147-L230 HydrophobicContact CD1-CG 4.17Å; L147-L230 HydrophobicContact CD2-CG 4.44Å; W149-L230 HydrophobicContact CB-CD1 3.89Å; W149-L230 HydrophobicContact CD2-CB 4.37Å; W149-L230 HydrophobicContact CD2-CD1 4.23Å; W149-L230 HydrophobicContact CE3-CB 3.72Å; W149-L230 HydrophobicContact CE3-CD1 4.39Å; W149-L230 HydrophobicContact CG-CD1 4.04Å; W149-L230 HydrophobicContact CZ3-CB 4.15Å; L154-L230 HydrophobicContact CD1-CD1 3.67Å; V217-L230 HydrophobicContact CG2-CD2 3.72Å; D228-L230 VanDerWaalsContact C-N 3.32Å; D228-L230 PolarHBondContact O-N 3.23Å; L230-H232 PolarHBondContact O-N 3.4Å; L230-S233 PolarHBondContact O-N 2.92Å; L230-V234 HydrophobicContact CB-CG2 4.14Å; L230-V234 HydrophobicContact CD2-CG2 3.97Å; L230-V234 VanDerWaalsContact O-CB 3.29Å; L230-V234 WeakPolarHBondContact O-CB 3.43Å; L230-V234 WeakPolarHBondContact O-CG2 3.26Å; L230-V234 PolarHBondContact O-N 2.98Å
231	Q	96.1	Very high	96.3	Very high	74 Å²	74	28 Å²	28	35%	0.346	15%	0.15	S	C	.	.	H	α-helix	trans	-63.4	-29.8	178	-60.4	-178.2	-62.3	0	0	111.7	I148 D228 P235	I148-Q231 HydrophobicContact CG2-CG 4.46Å; D228-Q231 WeakPolarHBondContact O-CB 3.26Å; D228-Q231 PolarHBondContact O-N 2.91Å; Q231-P235 VanDerWaalsContact O-CD 3.26Å; Q231-P235 WeakPolarHBondContact O-CD 3.47Å; Q231-P235 WeakPolarHBondContact O-CG 3.21Å
232	H	96.7	Very high	96.5	Very high	76 Å²	76	31.1 Å²	31.1	35%	0.352	16%	0.164	S	C	.	.	H	α-helix	trans	-86.8	-36	175.7	-72.5	-62.2	0	0	0	113.6	W107 D228 Y229 L230 F236 L334	W107-H232 AromaticContact CZ2-ND1 3.91Å; W107-H232 PolarHBondContact NE1-O 3.12Å; W107-H232 VanDerWaalsContact NE1-O 3.07Å; D228-H232 PolarHBondContact O-CD2 2.83Å; D228-H232 PolarHBondContact O-N 3.49Å; D228-H232 IonicContact OD2-CD2 2.73Å; D228-H232 IonicContact OD2-NE2 3.61Å; Y229-H232 PolarHBondContact O-N 3.22Å; L230-H232 PolarHBondContact O-N 3.4Å; H232-F236 WeakPolarHBondContact O-CD2 3.37Å; H232-L334 HydrophobicContact CB-CD1 4Å; H232-L334 HydrophobicContact CB-CD2 4.2Å
233	S	97.8	Very high	96.9	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-88.7	-43.3	-173.9	62.1	0	0	0	0	114.8	Y229 L230 V294	Y229-S233 PolarHBondContact O-N 3.5Å; Y229-S233 PolarHBondContact O-OG 3.21Å; L230-S233 PolarHBondContact O-N 2.92Å; S233-V294 VanDerWaalsContact OG-CG2 3.31Å; S233-V294 WeakPolarHBondContact OG-CG2 3.38Å
234	V	97.9	Very high	97.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-66.4	-38	-171.6	177.1	0	0	0	0	113	P122 V124 W149 Y215 L230 F236 L237 V238 V294	P122-V234 HydrophobicContact CG-CG1 3.77Å; V124-V234 HydrophobicContact CG2-CG2 4.27Å; W149-V234 HydrophobicContact CH2-CB 3.82Å; W149-V234 HydrophobicContact CH2-CG1 3.59Å; W149-V234 HydrophobicContact CH2-CG2 4.2Å; W149-V234 HydrophobicContact CZ2-CG1 4.05Å; W149-V234 HydrophobicContact CZ3-CB 4.2Å; W149-V234 HydrophobicContact CZ3-CG1 4.45Å; W149-V234 HydrophobicContact CZ3-CG2 4.41Å; Y215-V234 HydrophobicContact CD2-CG1 4.04Å; Y215-V234 HydrophobicContact CE2-CG1 4.15Å; L230-V234 HydrophobicContact CB-CG2 4.14Å; L230-V234 HydrophobicContact CD2-CG2 3.97Å; L230-V234 VanDerWaalsContact O-CB 3.29Å; L230-V234 WeakPolarHBondContact O-CB 3.43Å; L230-V234 WeakPolarHBondContact O-CG2 3.26Å; L230-V234 PolarHBondContact O-N 2.98Å; V234-F236 PolarHBondContact O-N 3.15Å; V234-L237 WeakPolarHBondContact O-CA 3.45Å; V234-L237 WeakPolarHBondContact O-CB 3.39Å; V234-L237 PolarHBondContact O-N 3.37Å; V234-V238 HydrophobicContact CG1-CG2 3.92Å; V234-V238 PolarHBondContact O-N 3.09Å; V234-V294 HydrophobicContact CG2-CG1 4.44Å
235	P	97	Very high	97.3	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-58.3	-32.9	-179.4	-27	34.6	0	0	0	114.8	E108 M110 Q231 L237 V238 H239	E108-P235 WeakPolarHBondContact O-CB 3.43Å; M110-P235 HydrophobicContact CG-CG 4.2Å; Q231-P235 VanDerWaalsContact O-CD 3.26Å; Q231-P235 WeakPolarHBondContact O-CD 3.47Å; Q231-P235 WeakPolarHBondContact O-CG 3.21Å; P235-L237 PolarHBondContact O-N 3.27Å; P235-V238 PolarHBondContact O-N 2.93Å; P235-H239 PolarHBondContact O-CD2 3.47Å; P235-H239 PolarHBondContact O-N 3.44Å
236	F	97.2	Very high	97.3	Very high	1 Å²	1	28.6 Å²	28.6	0%	0.004	15%	0.151	C	C	.	.	H	α-helix	trans	-58.5	-34.4	173.5	-79.7	-72.6	0	0	0	112.3	P101 E102 W107 H232 V234 N240 V246 L331	P101-F236 HydrophobicContact CB-CE1 3.94Å; P101-F236 HydrophobicContact CB-CZ 3.87Å; E102-F236 HydrophobicContact CB-CZ 4.38Å; E102-F236 HydrophobicContact CG-CZ 3.8Å; W107-F236 HydrophobicContact CB-CD1 4.25Å; W107-F236 HydrophobicContact CB-CE1 3.85Å; W107-F236 HydrophobicContact CB-CE2 4.47Å; W107-F236 HydrophobicContact CB-CZ 3.99Å; W107-F236 AromaticContact CD1-CD2 3.32Å; W107-F236 AromaticContact CD1-CE2 3.21Å; W107-F236 AromaticContact CD1-CG 3.79Å; W107-F236 AromaticContact CD1-CZ 3.61Å; W107-F236 HydrophobicContact CG-CD2 4.36Å; W107-F236 HydrophobicContact CG-CE1 4.23Å; W107-F236 AromaticContact CG-CE2 3.98Å; W107-F236 HydrophobicContact CG-CE2 3.98Å; W107-F236 AromaticContact CG-CZ 3.93Å; W107-F236 HydrophobicContact CG-CZ 3.93Å; W107-F236 AromaticContact NE1-CD2 3.9Å; W107-F236 AromaticContact NE1-CE2 3.72Å; H232-F236 WeakPolarHBondContact O-CD2 3.37Å; V234-F236 PolarHBondContact O-N 3.15Å; F236-N240 VanDerWaalsContact O-CB 3.31Å; F236-N240 WeakPolarHBondContact O-CB 3.48Å; F236-N240 PolarHBondContact O-N 3.25Å; F236-N240 PolarHBondContact O-ND2 3.43Å; F236-V246 HydrophobicContact CB-CG2 3.75Å; F236-L331 HydrophobicContact CD2-CD1 3.78Å; F236-L331 HydrophobicContact CD2-CD2 3.98Å; F236-L331 HydrophobicContact CD2-CG 4.46Å; F236-L331 HydrophobicContact CE1-CD2 4.41Å; F236-L331 HydrophobicContact CE2-CD1 3.66Å; F236-L331 HydrophobicContact CE2-CD2 3.41Å; F236-L331 VanDerWaalsContact CE2-CD2 3.41Å; F236-L331 HydrophobicContact CE2-CG 4.18Å; F236-L331 HydrophobicContact CZ-CD2 3.65Å
237	L	98	Very high	97.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-82.5	-33.5	177.5	-67.2	152.9	0	0	0	112	Y215 V234 P235 V243 V246 V294 R296	Y215-L237 HydrophobicContact CD1-CB 3.99Å; Y215-L237 HydrophobicContact CD1-CD1 3.85Å; Y215-L237 HydrophobicContact CD1-CG 4.36Å; Y215-L237 HydrophobicContact CE1-CB 3.39Å; Y215-L237 HydrophobicContact CE1-CD1 4.14Å; Y215-L237 HydrophobicContact CE1-CD2 4.32Å; Y215-L237 HydrophobicContact CE1-CG 4.16Å; Y215-L237 HydrophobicContact CG-CD1 4.49Å; Y215-L237 PolarHBondContact OH-O 3.12Å; V234-L237 WeakPolarHBondContact O-CA 3.45Å; V234-L237 WeakPolarHBondContact O-CB 3.39Å; V234-L237 PolarHBondContact O-N 3.37Å; P235-L237 PolarHBondContact O-N 3.27Å; L237-V243 HydrophobicContact CD2-CB 4.37Å; L237-V243 HydrophobicContact CD2-CG1 3.87Å; L237-V243 WeakPolarHBondContact CD2-O 3.26Å; L237-V246 HydrophobicContact CD1-CB 4.44Å; L237-V246 HydrophobicContact CD1-CG2 4.03Å; L237-V246 HydrophobicContact CD2-CG2 4.18Å; L237-V246 HydrophobicContact CG-CG2 3.72Å; L237-V294 HydrophobicContact CD1-CB 3.72Å; L237-V294 HydrophobicContact CD1-CG1 3.29Å; L237-R296 HydrophobicContact CD2-CB 4.33Å; L237-R296 PolarHBondContact O-NH2 3.37Å
238	V	96.6	Very high	97.4	Very high	47 Å²	47	22.9 Å²	22.9	29%	0.285	12%	0.12	S	C	.	.	H	α-helix	trans	-65.9	-48.5	178.4	173.8	0	0	0	0	110.2	M110 P122 Y215 V234 P235	M110-V238 HydrophobicContact CE-CG1 4.35Å; M110-V238 HydrophobicContact CE-CG2 4.44Å; M110-V238 HydrophobicContact SD-CB 4.32Å; M110-V238 HydrophobicContact SD-CG1 4.2Å; M110-V238 HydrophobicContact SD-CG2 4.13Å; P122-V238 HydrophobicContact CG-CG2 3.85Å; Y215-V238 HydrophobicContact CE2-CG2 4.05Å; Y215-V238 WeakPolarHBondContact OH-CA 3.38Å; Y215-V238 PolarHBondContact OH-N 3.05Å; V234-V238 HydrophobicContact CG1-CG2 3.92Å; V234-V238 PolarHBondContact O-N 3.09Å; P235-V238 PolarHBondContact O-N 2.93Å
239	H	96.3	Very high	97.4	Very high	46 Å²	46	22.2 Å²	22.2	21%	0.213	11%	0.113	C	C	.	.	H	α-helix	trans	-87.1	-7.7	-171.2	-61.8	-57.2	0	0	0	114.8	R106 E108 P235	R106-H239 HydrophobicContact CB-CB 3.88Å; R106-H239 HydrophobicContact CG-CB 3.8Å; R106-H239 WeakPolarHBondContact O-CB 3.47Å; E108-H239 PolarHBondContact O-CD2 3.39Å; E108-H239 PolarHBondContact O-NE2 3.13Å; P235-H239 PolarHBondContact O-CD2 3.47Å; P235-H239 PolarHBondContact O-N 3.44Å
240	N	97.6	Very high	97.3	Very high	13 Å²	13	23.3 Å²	23.3	7%	0.07	12%	0.117	C	C	.	.			trans	-129.2	91.7	179.7	-50.3	-93.5	0	0	0	109.9	Y105 R106 F236 E242 V243 R296	Y105-N240 HydrophobicContact CD1-CB 4.34Å; R106-N240 PolarHBondContact N-ND2 3.03Å; R106-N240 PolarHBondContact N-OD1 2.98Å; R106-N240 PolarHBondContact O-ND2 2.89Å; F236-N240 VanDerWaalsContact O-CB 3.31Å; F236-N240 WeakPolarHBondContact O-CB 3.48Å; F236-N240 PolarHBondContact O-N 3.25Å; F236-N240 PolarHBondContact O-ND2 3.43Å; N240-E242 PolarHBondContact O-N 3.43Å; N240-E242 VanDerWaalsContact O-N 3.1Å; N240-V243 HydrophobicContact CB-CB 4.3Å; N240-V243 HydrophobicContact CB-CG2 3.63Å; N240-V243 PolarHBondContact O-N 2.88Å; N240-V243 VanDerWaalsContact O-N 3.09Å; N240-R296 PolarHBondContact O-NH2 3.43Å
241	P	96.9	Very high	97.1	Very high	94 Å²	94	30.3 Å²	30.3	61%	0.61	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-23.4	-174.5	-27.5	36.2	0	0	0	114.8	W326	P241-W326 WeakPolarHBondContact O-CZ3 3.34Å
242	E	96.5	Very high	97	Very high	71 Å²	71	27.5 Å²	27.5	33%	0.332	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-5.5	-179.4	79.3	-82.4	-157.5	0	0	114.4	N240 K327	N240-E242 PolarHBondContact O-N 3.43Å; N240-E242 VanDerWaalsContact O-N 3.1Å; E242-K327 HydrophobicContact CG-CB 4.48Å; E242-K327 HydrophobicContact CG-CD 3.57Å; E242-K327 HydrophobicContact CG-CG 3.98Å; E242-K327 PolarHBondContact O-N 3.04Å; E242-K327 IonicContact OE1-NZ 3.99Å; E242-K327 PolarHBondContact OE1-NZ 3.41Å
243	V	98.2	Very high	96.8	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	127.4	175.3	179.9	0	0	0	0	109.1	Y105 L237 N240 V246 R296 K327 V329	Y105-V243 HydrophobicContact CD1-CG2 3.9Å; Y105-V243 HydrophobicContact CE1-CG2 3.83Å; L237-V243 HydrophobicContact CD2-CB 4.37Å; L237-V243 HydrophobicContact CD2-CG1 3.87Å; L237-V243 WeakPolarHBondContact CD2-O 3.26Å; N240-V243 HydrophobicContact CB-CB 4.3Å; N240-V243 HydrophobicContact CB-CG2 3.63Å; N240-V243 PolarHBondContact O-N 2.88Å; N240-V243 VanDerWaalsContact O-N 3.09Å; V243-V246 HydrophobicContact CG1-CG2 4.12Å; V243-R296 PolarHBondContact O-NE 3.13Å; V243-R296 PolarHBondContact O-NH2 3.07Å; V243-K327 WeakPolarHBondContact CA-O 3.4Å; V243-K327 HydrophobicContact CG2-CB 4.41Å; V243-V329 HydrophobicContact CG1-CG2 3.84Å; V243-V329 HydrophobicContact CG2-CG2 3.94Å
244	A	98.3	Very high	96.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	-30.9	176.8	0	0	0	0	0	113.6	W295 R296 A299 W326 K327 F328	A244-W295 HydrophobicContact CB-CE3 4.45Å; A244-W295 HydrophobicContact CB-CZ3 4.28Å; A244-W295 CarbonylContact O-C 3.47Å; A244-W295 VanDerWaalsContact O-CA 3.3Å; A244-W295 WeakPolarHBondContact O-CA 3.49Å; A244-R296 PolarHBondContact O-N 3.47Å; A244-A299 HydrophobicContact CB-CB 3.4Å; A244-W326 HydrophobicContact CB-CB 3.54Å; A244-W326 HydrophobicContact CB-CD2 3.83Å; A244-W326 HydrophobicContact CB-CE3 3.7Å; A244-W326 HydrophobicContact CB-CG 3.76Å; A244-K327 PolarHBondContact N-O 3.18Å; A244-F328 HydrophobicContact CB-CD1 4.29Å; A244-F328 HydrophobicContact CB-CE1 4.03Å
245	L	98.6	Very high	96.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	131.2	-174.1	172.4	62.6	0	0	0	110.2	F286 F288 V294 W295 F328 V329	L245-F286 HydrophobicContact CD2-CE2 4.01Å; L245-F286 HydrophobicContact CD2-CZ 4.24Å; L245-F288 HydrophobicContact CD1-CD2 3.87Å; L245-F288 HydrophobicContact CD1-CE2 4.19Å; L245-F288 HydrophobicContact CD2-CB 3.85Å; L245-F288 HydrophobicContact CD2-CD2 3.9Å; L245-F288 HydrophobicContact CD2-CG 4.18Å; L245-V294 WeakPolarHBondContact CA-O 3.3Å; L245-W295 HydrophobicContact CB-CD2 4.22Å; L245-W295 HydrophobicContact CB-CE3 4.06Å; L245-W295 HydrophobicContact CB-CH2 4.14Å; L245-W295 HydrophobicContact CB-CZ2 4.32Å; L245-W295 HydrophobicContact CB-CZ3 4.02Å; L245-W295 HydrophobicContact CD1-CD2 3.96Å; L245-W295 HydrophobicContact CD1-CG 4.12Å; L245-W295 HydrophobicContact CD1-CZ2 4.16Å; L245-W295 HydrophobicContact CD2-CH2 4.06Å; L245-W295 HydrophobicContact CD2-CZ2 3.74Å; L245-W295 HydrophobicContact CG-CZ2 4.29Å; L245-F328 HydrophobicContact CB-CB 4.22Å; L245-F328 HydrophobicContact CB-CD1 3.56Å; L245-F328 HydrophobicContact CB-CE1 4.12Å; L245-F328 HydrophobicContact CB-CG 3.93Å; L245-F328 HydrophobicContact CD2-CB 4.46Å; L245-F328 HydrophobicContact CD2-CD1 4.44Å; L245-F328 HydrophobicContact CD2-CD2 4.15Å; L245-F328 HydrophobicContact CD2-CG 4.12Å; L245-F328 WeakPolarHBondContact O-CA 3.21Å; L245-V329 PolarHBondContact O-N 2.98Å
246	V	98.3	Very high	95.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	118.1	164.8	176.8	0	0	0	0	108	F236 L237 V243 G293 V294 V329 L331	F236-V246 HydrophobicContact CB-CG2 3.75Å; L237-V246 HydrophobicContact CD1-CB 4.44Å; L237-V246 HydrophobicContact CD1-CG2 4.03Å; L237-V246 HydrophobicContact CD2-CG2 4.18Å; L237-V246 HydrophobicContact CG-CG2 3.72Å; V243-V246 HydrophobicContact CG1-CG2 4.12Å; V246-G293 CarbonylContact O-C 3.52Å; V246-G293 WeakPolarHBondContact O-CA 3.25Å; V246-V294 PolarHBondContact N-O 3.02Å; V246-V294 PolarHBondContact O-N 3.14Å; V246-V329 CarbonylContact C-O 3.48Å; V246-V329 VanDerWaalsContact CA-O 3.32Å; V246-V329 WeakPolarHBondContact CA-O 3.17Å; V246-V329 HydrophobicContact CG2-CB 4.44Å; V246-L331 HydrophobicContact CG1-CD1 3.41Å; V246-L331 VanDerWaalsContact CG1-CD1 3.41Å; V246-L331 HydrophobicContact CG1-CG 3.75Å
247	Q	98.3	Very high	95.5	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	127.3	-178.6	174.1	72.4	70.9	0	0	110.4	F286 T291 A292 V329 F330 L331	Q247-F286 HydrophobicContact CB-CE2 3.38Å; Q247-F286 HydrophobicContact CB-CZ 3.53Å; Q247-F286 HydrophobicContact CG-CE2 3.81Å; Q247-F286 HydrophobicContact CG-CZ 4.39Å; Q247-T291 PolarHBondContact NE2-O 3.08Å; Q247-A292 PolarHBondContact NE2-O 3.05Å; Q247-A292 VanDerWaalsContact NE2-O 3.09Å; Q247-V329 PolarHBondContact N-O 3.36Å; Q247-F330 HydrophobicContact CB-CD2 4.06Å; Q247-F330 HydrophobicContact CG-CD2 3.8Å; Q247-F330 HydrophobicContact CG-CE2 4.07Å; Q247-F330 WeakPolarHBondContact O-CD2 3.37Å; Q247-L331 PolarHBondContact O-N 2.98Å
248	A	97.8	Very high	95.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	157.4	171.3	0	0	0	0	0	111.8	Y229 A292 L334 V336	Y229-A248 HydrophobicContact CE2-CB 3.61Å; A248-A292 HydrophobicContact CB-CB 4.44Å; A248-A292 WeakPolarHBondContact CB-O 3.04Å; A248-A292 PolarHBondContact N-O 3.14Å; A248-L334 HydrophobicContact CB-CB 4.28Å; A248-L334 HydrophobicContact CB-CD2 4Å; A248-L334 HydrophobicContact CB-CG 3.88Å; A248-L334 WeakPolarHBondContact CB-O 3.49Å; A248-V336 HydrophobicContact CB-CG2 4.03Å
249	R	96.3	Very high	94.9	Very high	44 Å²	44	39.6 Å²	39.6	17%	0.166	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	145.4	176.8	177.7	171.5	176.1	174.2	-2.4	111.9	N269 F272 F330 N332 L334 T335 V336	R249-N269 VanDerWaalsContact NH2-CG 3.3Å; R249-N269 PolarHBondContact NH2-OD1 3.49Å; R249-F272 HydrophobicContact CG-CB 4.31Å; R249-F272 HydrophobicContact CG-CD2 3.94Å; R249-F272 HydrophobicContact CG-CG 4.22Å; R249-F330 HydrophobicContact CB-CE2 4.39Å; R249-F330 HydrophobicContact CB-CZ 3.9Å; R249-F330 HydrophobicContact CG-CZ 4.43Å; R249-N332 WeakPolarHBondContact CD-OD1 3.42Å; R249-N332 PolarHBondContact NH1-OD1 2.82Å; R249-L334 PolarHBondContact N-O 3.21Å; R249-T335 HydrophobicContact CB-CG2 4.35Å; R249-T335 CarbonylContact O-C 3.47Å; R249-T335 VanDerWaalsContact O-CA 3.26Å; R249-T335 WeakPolarHBondContact O-CA 3.14Å; R249-V336 PolarHBondContact O-N 3Å
250	W	95.7	Very high	94.8	Very high	23 Å²	23	37.5 Å²	37.5	9%	0.087	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	139.7	173.4	-55.9	-7.4	0	0	0	111.5	F223 F252 F272 N289 T291 W354	F223-W250 AromaticContact CE1-CD1 3.56Å; F223-W250 AromaticContact CE1-CD2 4Å; F223-W250 HydrophobicContact CE1-CD2 4Å; F223-W250 AromaticContact CE1-CE2 3.8Å; F223-W250 AromaticContact CE1-CG 3.81Å; F223-W250 HydrophobicContact CE1-CG 3.81Å; F223-W250 HydrophobicContact CE1-CZ2 4.47Å; F223-W250 AromaticContact CE1-NE1 3.54Å; F223-W250 AromaticContact CZ-CD2 3.81Å; F223-W250 HydrophobicContact CZ-CD2 3.81Å; F223-W250 AromaticContact CZ-CE2 3.66Å; F223-W250 HydrophobicContact CZ-CE3 4.31Å; F223-W250 HydrophobicContact CZ-CG 4.1Å; F223-W250 HydrophobicContact CZ-CH2 4.5Å; F223-W250 AromaticContact CZ-CZ2 3.98Å; F223-W250 HydrophobicContact CZ-CZ2 3.98Å; F223-W250 AromaticContact CZ-NE1 3.91Å; W250-F252 HydrophobicContact CB-CE1 3.95Å; W250-F252 HydrophobicContact CB-CZ 3.97Å; W250-F252 AromaticContact CE3-CE1 3.98Å; W250-F252 HydrophobicContact CE3-CE1 3.98Å; W250-F252 HydrophobicContact CE3-CZ 4.17Å; W250-F272 HydrophobicContact CB-CE2 3.75Å; W250-F272 HydrophobicContact CB-CZ 3.73Å; W250-F272 HydrophobicContact CD2-CE1 4.31Å; W250-F272 HydrophobicContact CD2-CE2 4.5Å; W250-F272 AromaticContact CD2-CZ 3.63Å; W250-F272 HydrophobicContact CD2-CZ 3.63Å; W250-F272 HydrophobicContact CE3-CE1 4.49Å; W250-F272 HydrophobicContact CE3-CE2 4.49Å; W250-F272 AromaticContact CE3-CZ 3.63Å; W250-F272 HydrophobicContact CE3-CZ 3.63Å; W250-F272 HydrophobicContact CG-CE1 4.4Å; W250-F272 HydrophobicContact CG-CE2 4.21Å; W250-F272 AromaticContact CG-CZ 3.67Å; W250-F272 HydrophobicContact CG-CZ 3.67Å; W250-F272 HydrophobicContact CZ3-CZ 4.47Å; W250-N289 HydrophobicContact CH2-CB 4.03Å; W250-N289 HydrophobicContact CZ2-CB 3.29Å; W250-N289 WeakPolarHBondContact CZ2-O 3.24Å; W250-T291 HydrophobicContact CH2-CG2 4.33Å; W250-T291 HydrophobicContact CZ2-CG2 3.4Å; W250-W354 HydrophobicContact CH2-CZ2 4.48Å; W250-W354 HydrophobicContact CZ3-CH2 4.21Å; W250-W354 HydrophobicContact CZ3-CZ2 4.4Å
251	R	94.3	Very high	94.6	Very high	147 Å²	147	36.9 Å²	36.9	56%	0.555	18%	0.179	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-121.6	117.4	175.4	-176.8	174.8	-177.5	169.3	0.9	110.4	V336 K337 S338	R251-V336 PolarHBondContact N-O 3.35Å; R251-K337 CarbonylContact O-C 3.6Å; R251-K337 VanDerWaalsContact O-CA 3.3Å; R251-K337 WeakPolarHBondContact O-CA 3.49Å; R251-S338 PolarHBondContact O-N 3.23Å
252	F	93.5	Very high	94.5	Very high	16 Å²	16	35.8 Å²	35.8	7%	0.07	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	114.3	-170.5	-52.1	-64.3	0	0	0	112.5	W250 A255 E265 L268 F272 S338 L340	W250-F252 HydrophobicContact CB-CE1 3.95Å; W250-F252 HydrophobicContact CB-CZ 3.97Å; W250-F252 AromaticContact CE3-CE1 3.98Å; W250-F252 HydrophobicContact CE3-CE1 3.98Å; W250-F252 HydrophobicContact CE3-CZ 4.17Å; F252-A255 HydrophobicContact CB-CB 4.13Å; F252-E265 HydrophobicContact CD2-CB 4.25Å; F252-E265 HydrophobicContact CD2-CG 4.09Å; F252-L268 HydrophobicContact CE1-CD1 3.99Å; F252-L268 HydrophobicContact CE2-CB 3.68Å; F252-L268 HydrophobicContact CE2-CD1 3.99Å; F252-L268 HydrophobicContact CE2-CG 4.47Å; F252-L268 HydrophobicContact CZ-CB 3.69Å; F252-L268 HydrophobicContact CZ-CD1 3.45Å; F252-L268 VanDerWaalsContact CZ-CD1 3.45Å; F252-L268 HydrophobicContact CZ-CG 4.11Å; F252-F272 HydrophobicContact CE2-CE2 4.12Å; F252-F272 AromaticContact CZ-CE2 3.79Å; F252-F272 HydrophobicContact CZ-CE2 3.79Å; F252-F272 HydrophobicContact CZ-CZ 4.29Å; F252-S338 WeakPolarHBondContact CA-O 3.3Å; F252-S338 WeakPolarHBondContact CD1-OG 3.49Å; F252-L340 HydrophobicContact CB-CD1 3.8Å; F252-L340 HydrophobicContact CB-CG 3.89Å; F252-L340 HydrophobicContact CD1-CD1 4.15Å; F252-L340 HydrophobicContact CD1-CD2 3.45Å; F252-L340 VanDerWaalsContact CD1-CD2 3.45Å; F252-L340 HydrophobicContact CD1-CG 3.54Å; F252-L340 HydrophobicContact CD2-CD1 4.18Å; F252-L340 HydrophobicContact CD2-CD2 4.4Å; F252-L340 HydrophobicContact CD2-CG 4.44Å; F252-L340 HydrophobicContact CE1-CD2 3.55Å; F252-L340 HydrophobicContact CE1-CG 4.18Å; F252-L340 HydrophobicContact CE2-CD2 4.49Å; F252-L340 HydrophobicContact CG-CD1 3.76Å; F252-L340 HydrophobicContact CG-CD2 3.9Å; F252-L340 HydrophobicContact CG-CG 3.68Å; F252-L340 HydrophobicContact CZ-CD2 4.09Å
253	M	91.2	Very high	94.4	Very high	92 Å²	92	32.7 Å²	32.7	45%	0.453	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-30.4	-176.3	-65.4	-58	-66.5	0	0	113.2	K337 S338	M253-K337 HydrophobicContact CE-CD 4.46Å; M253-K337 HydrophobicContact CG-CB 3.88Å; M253-K337 HydrophobicContact CG-CG 4.16Å; M253-K337 HydrophobicContact SD-CB 4.1Å; M253-K337 HydrophobicContact SD-CD 3.91Å; M253-K337 HydrophobicContact SD-CG 3.69Å; M253-S338 PolarHBondContact N-O 3.24Å
254	N	91.9	Very high	94.2	Very high	9 Å²	9	32.9 Å²	32.9	5%	0.048	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	18.9	-178.5	72.8	-19.6	0	0	0	113.4	N256 K257 T261 L340 D484	N254-N256 PolarHBondContact O-N 3.1Å; N254-N256 VanDerWaalsContact O-N 3.11Å; N254-K257 HydrophobicContact CB-CB 4.33Å; N254-K257 WeakPolarHBondContact O-CB 3.27Å; N254-K257 PolarHBondContact O-N 3.49Å; N254-T261 PolarHBondContact O-OG1 3.38Å; N254-L340 PolarHBondContact ND2-O 3.05Å; N254-L340 PolarHBondContact OD1-N 3.02Å; N254-D484 HydrophobicContact CB-CB 4Å; N254-D484 PolarHBondContact ND2-OD2 3.45Å
255	A	89.8	Confident	94	Very high	3 Å²	3	33.6 Å²	33.6	3%	0.025	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-34	-179.1	0	0	0	0	0	112.9	F252 K257 T261 R262 E265	F252-A255 HydrophobicContact CB-CB 4.13Å; A255-K257 VanDerWaalsContact C-N 3.34Å; A255-K257 PolarHBondContact O-N 3.13Å; A255-T261 CarbonylContact O-C 3.55Å; A255-T261 WeakPolarHBondContact O-CB 3.31Å; A255-T261 PolarHBondContact O-OG1 3.09Å; A255-R262 WeakPolarHBondContact O-CG 3.22Å; A255-R262 PolarHBondContact O-N 2.98Å; A255-R262 VanDerWaalsContact O-N 3.13Å; A255-E265 HydrophobicContact CB-CB 4.31Å; A255-E265 WeakPolarHBondContact CB-OE2 3.5Å
256	N	90.9	Very high	93.8	Very high	99 Å²	99	33.6 Å²	33.6	53%	0.529	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	3	-179.3	-72.6	-39.7	0	0	0	115.3	N254 R262	N254-N256 PolarHBondContact O-N 3.1Å; N254-N256 VanDerWaalsContact O-N 3.11Å; N256-R262 PolarHBondContact OD1-NE 3.34Å
257	K	89.9	Confident	93.6	Very high	74 Å²	74	35.1 Å²	35.1	32%	0.322	16%	0.163	S	C	.	.	S	Bend	trans	-66.3	-41.9	-174.7	-179.3	164.5	173.1	172.9	0	113.6	N254 A255 S342 L482 D484 T552	N254-K257 HydrophobicContact CB-CB 4.33Å; N254-K257 WeakPolarHBondContact O-CB 3.27Å; N254-K257 PolarHBondContact O-N 3.49Å; A255-K257 VanDerWaalsContact C-N 3.34Å; A255-K257 PolarHBondContact O-N 3.13Å; K257-S342 PolarHBondContact NZ-OG 3.2Å; K257-L482 VanDerWaalsContact NZ-CD1 3.26Å; K257-D484 WeakPolarHBondContact CD-OD2 3.47Å; K257-D484 WeakPolarHBondContact CE-OD2 3.22Å; K257-D484 IonicContact NZ-OD1 3.13Å; K257-D484 PolarHBondContact NZ-OD1 2.98Å; K257-D484 IonicContact NZ-OD2 3.01Å; K257-D484 PolarHBondContact NZ-OD2 3.06Å; K257-T552 HydrophobicContact CD-CG2 4.35Å; K257-T552 HydrophobicContact CG-CG2 3.97Å
258	C	91.6	Very high	93.4	Very high	22 Å²	22	36.1 Å²	36.1	15%	0.149	17%	0.169	C	C	.	.	S	Bend	trans	-150.5	172.2	174.4	65.9	0	0	0	0	111.4	M260 T261 R262 T552	C258-M260 PolarHBondContact O-N 3.42Å; C258-T261 PolarHBondContact N-OG1 3.47Å; C258-T261 VanDerWaalsContact N-OG1 3.08Å; C258-T261 PolarHBondContact O-N 3.04Å; C258-T261 PolarHBondContact O-OG1 3.45Å; C258-R262 PolarHBondContact O-N 3.24Å; C258-T552 HydrophobicContact CB-CG2 3.97Å
259	L	92	Very high	93.2	Very high	78 Å²	78	36.7 Å²	36.7	41%	0.408	17%	0.172	S	C	.	.	H	α-helix	trans	-57.4	-39.3	178.9	179.8	60.1	0	0	0	112	T261 R262 M263 L444 F447	L259-T261 PolarHBondContact O-N 3.35Å; L259-R262 PolarHBondContact O-N 3.18Å; L259-M263 HydrophobicContact CG-CE 4.04Å; L259-M263 HydrophobicContact CG-SD 4.43Å; L259-M263 WeakPolarHBondContact O-CG 3.48Å; L259-M263 PolarHBondContact O-N 3.4Å; L259-M263 VanDerWaalsContact O-N 3.09Å; L259-L444 HydrophobicContact CD1-CD1 4Å; L259-L444 HydrophobicContact CD1-CD2 3.4Å; L259-L444 HydrophobicContact CD1-CG 4.28Å; L259-F447 HydrophobicContact CD2-CG 4.49Å
260	M	93.8	Very high	93.1	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.01	17%	0.169	C	C	.	.	H	α-helix	trans	-62.8	-42.8	179.4	-171.6	-175.1	68	0	0	112.5	C258 R262 M263 Q264 P341 S342 F344 F347 F451 V550	C258-M260 PolarHBondContact O-N 3.42Å; M260-R262 VanDerWaalsContact C-N 3.33Å; M260-R262 PolarHBondContact O-N 2.94Å; M260-M263 PolarHBondContact O-N 3.19Å; M260-Q264 WeakPolarHBondContact O-CG 3.36Å; M260-Q264 PolarHBondContact O-N 3.28Å; M260-P341 VanDerWaalsContact CE-O 3.3Å; M260-P341 WeakPolarHBondContact CE-O 3.32Å; M260-S342 VanDerWaalsContact CE-C 3.46Å; M260-S342 WeakPolarHBondContact CE-O 3.36Å; M260-F344 HydrophobicContact SD-CB 3.99Å; M260-F344 HydrophobicContact SD-CD2 3.75Å; M260-F344 HydrophobicContact SD-CG 4.38Å; M260-F347 HydrophobicContact CE-CB 4.22Å; M260-F347 HydrophobicContact SD-CB 4.33Å; M260-F347 HydrophobicContact SD-CD1 4.04Å; M260-F347 HydrophobicContact SD-CG 4.46Å; M260-F451 HydrophobicContact CG-CE1 4.02Å; M260-F451 HydrophobicContact CG-CE2 4.4Å; M260-F451 HydrophobicContact CG-CZ 3.64Å; M260-F451 HydrophobicContact SD-CZ 4.09Å; M260-V550 HydrophobicContact CB-CG1 4.04Å; M260-V550 HydrophobicContact CG-CG1 3.99Å; M260-V550 HydrophobicContact SD-CG1 3.78Å
261	T	93.5	Very high	93	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-68.2	-33.1	179.5	52.2	0	0	0	0	111.9	N254 A255 C258 L259 Q264 E265 L340	N254-T261 PolarHBondContact O-OG1 3.38Å; A255-T261 CarbonylContact O-C 3.55Å; A255-T261 WeakPolarHBondContact O-CB 3.31Å; A255-T261 PolarHBondContact O-OG1 3.09Å; C258-T261 PolarHBondContact N-OG1 3.47Å; C258-T261 VanDerWaalsContact N-OG1 3.08Å; C258-T261 PolarHBondContact O-N 3.04Å; C258-T261 PolarHBondContact O-OG1 3.45Å; L259-T261 PolarHBondContact O-N 3.35Å; T261-Q264 PolarHBondContact O-N 2.81Å; T261-E265 PolarHBondContact O-N 3.29Å; T261-L340 HydrophobicContact CG2-CB 4.17Å; T261-L340 WeakPolarHBondContact O-CD1 3.46Å
262	R	93.8	Very high	93	Very high	72 Å²	72	29.6 Å²	29.6	27%	0.272	15%	0.147	S	C	.	.	H	α-helix	trans	-66.3	-41	173.2	-65.1	-176	-179.1	161.5	12.7	112	A255 N256 C258 L259 M260 E265 M266 Y443 L444	A255-R262 WeakPolarHBondContact O-CG 3.22Å; A255-R262 PolarHBondContact O-N 2.98Å; A255-R262 VanDerWaalsContact O-N 3.13Å; N256-R262 PolarHBondContact OD1-NE 3.34Å; C258-R262 PolarHBondContact O-N 3.24Å; L259-R262 PolarHBondContact O-N 3.18Å; M260-R262 VanDerWaalsContact C-N 3.33Å; M260-R262 PolarHBondContact O-N 2.94Å; R262-E265 PolarHBondContact O-N 3.42Å; R262-M266 WeakPolarHBondContact O-CG 3.49Å; R262-M266 PolarHBondContact O-N 3.04Å; R262-Y443 PolarHBondContact NH1-OH 3.25Å; R262-L444 HydrophobicContact CB-CD1 3.57Å; R262-L444 HydrophobicContact CG-CD1 4.37Å
263	M	93.9	Very high	92.9	Very high	6 Å²	6	29.8 Å²	29.8	3%	0.03	15%	0.148	C	C	.	.	H	α-helix	trans	-67.5	-40.5	176.2	-69.2	-174.2	-60.2	0	0	112.1	L259 M260 E265 M266 S267 F447 W448 F451	L259-M263 HydrophobicContact CG-CE 4.04Å; L259-M263 HydrophobicContact CG-SD 4.43Å; L259-M263 WeakPolarHBondContact O-CG 3.48Å; L259-M263 PolarHBondContact O-N 3.4Å; L259-M263 VanDerWaalsContact O-N 3.09Å; M260-M263 PolarHBondContact O-N 3.19Å; M263-E265 VanDerWaalsContact C-N 3.32Å; M263-E265 PolarHBondContact O-N 2.83Å; M263-M266 WeakPolarHBondContact O-CB 3.41Å; M263-M266 PolarHBondContact O-N 2.96Å; M263-S267 PolarHBondContact O-N 3.09Å; M263-F447 HydrophobicContact SD-CB 3.88Å; M263-W448 HydrophobicContact CG-CB 4.19Å; M263-W448 VanDerWaalsContact O-CD1 3.32Å; M263-W448 PolarHBondContact O-NE1 3.25Å; M263-W448 HydrophobicContact SD-CB 4.37Å; M263-F451 HydrophobicContact CB-CD1 4.2Å; M263-F451 HydrophobicContact CE-CB 3.73Å; M263-F451 HydrophobicContact CE-CD1 3.62Å; M263-F451 HydrophobicContact CE-CD2 4.04Å; M263-F451 HydrophobicContact CE-CE1 4.22Å; M263-F451 HydrophobicContact CE-CG 3.5Å; M263-F451 HydrophobicContact SD-CB 3.73Å; M263-F451 HydrophobicContact SD-CD1 4.17Å; M263-F451 HydrophobicContact SD-CG 4.1Å
264	Q	94.8	Very high	93	Very high	4 Å²	4	25.4 Å²	25.4	2%	0.019	13%	0.126	C	C	.	.	H	α-helix	trans	-58.6	-44.5	174	-75.8	177.4	49.2	0	0	112	M260 T261 M266 S267 L268 L340 P341 F347	M260-Q264 WeakPolarHBondContact O-CG 3.36Å; M260-Q264 PolarHBondContact O-N 3.28Å; T261-Q264 PolarHBondContact O-N 2.81Å; Q264-M266 VanDerWaalsContact C-N 3.3Å; Q264-M266 PolarHBondContact O-N 2.69Å; Q264-S267 PolarHBondContact O-N 3.29Å; Q264-L268 PolarHBondContact O-N 3.2Å; Q264-L340 HydrophobicContact CB-CD1 4.07Å; Q264-L340 HydrophobicContact CB-CD2 4.37Å; Q264-P341 PolarHBondContact NE2-O 3.19Å; Q264-F347 VanDerWaalsContact CD-CD2 3.46Å; Q264-F347 VanDerWaalsContact CD-CE2 3.49Å; Q264-F347 HydrophobicContact CG-CD2 4.03Å; Q264-F347 HydrophobicContact CG-CE1 4.11Å; Q264-F347 HydrophobicContact CG-CE2 3.52Å; Q264-F347 HydrophobicContact CG-CZ 3.57Å
265	E	94.8	Very high	93.1	Very high	14 Å²	14	26.3 Å²	26.3	7%	0.065	13%	0.131	C	C	.	.	H	α-helix	trans	-59.3	-40.4	177.2	172.6	-179.7	-139.1	0	0	112.3	F252 A255 T261 R262 M263 S267 L268 N269 L340 R440	F252-E265 HydrophobicContact CD2-CB 4.25Å; F252-E265 HydrophobicContact CD2-CG 4.09Å; A255-E265 HydrophobicContact CB-CB 4.31Å; A255-E265 WeakPolarHBondContact CB-OE2 3.5Å; T261-E265 PolarHBondContact O-N 3.29Å; R262-E265 PolarHBondContact O-N 3.42Å; M263-E265 VanDerWaalsContact C-N 3.32Å; M263-E265 PolarHBondContact O-N 2.83Å; E265-S267 VanDerWaalsContact C-N 3.33Å; E265-S267 PolarHBondContact O-N 3.05Å; E265-L268 PolarHBondContact O-N 2.99Å; E265-N269 WeakPolarHBondContact CG-ND2 3.23Å; E265-N269 VanDerWaalsContact O-CB 3.26Å; E265-N269 WeakPolarHBondContact O-CB 3.37Å; E265-N269 VanDerWaalsContact O-CG 3.32Å; E265-N269 PolarHBondContact O-N 3.04Å; E265-N269 PolarHBondContact O-ND2 2.72Å; E265-L340 HydrophobicContact CB-CD1 4.27Å; E265-R440 IonicContact OE1-CZ 3.98Å; E265-R440 IonicContact OE1-NH2 2.72Å; E265-R440 PolarHBondContact OE1-NH2 3.45Å; E265-R440 IonicContact OE2-CZ 2.63Å; E265-R440 IonicContact OE2-NH1 3.05Å; E265-R440 PolarHBondContact OE2-NH1 3.3Å; E265-R440 IonicContact OE2-NH2 3.55Å; E265-R440 PolarHBondContact OE2-NH2 2.94Å
266	M	93.8	Very high	93.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-57.1	-47.3	176	-68.1	172	63.1	0	0	111.3	R262 M263 Q264 Y270 V435 T438 S441 L444 W448	R262-M266 WeakPolarHBondContact O-CG 3.49Å; R262-M266 PolarHBondContact O-N 3.04Å; M263-M266 WeakPolarHBondContact O-CB 3.41Å; M263-M266 PolarHBondContact O-N 2.96Å; Q264-M266 VanDerWaalsContact C-N 3.3Å; Q264-M266 PolarHBondContact O-N 2.69Å; M266-Y270 PolarHBondContact O-N 3.36Å; M266-V435 HydrophobicContact CE-CG2 3.92Å; M266-T438 HydrophobicContact CG-CG2 4.26Å; M266-S441 VanDerWaalsContact SD-CB 3.58Å; M266-L444 HydrophobicContact SD-CB 4.08Å; M266-W448 HydrophobicContact CE-CB 4.03Å; M266-W448 HydrophobicContact CE-CD2 4.37Å; M266-W448 HydrophobicContact CE-CG 3.89Å; M266-W448 HydrophobicContact SD-CB 4.2Å; M266-W448 HydrophobicContact SD-CG 4.18Å
267	S	93.6	Very high	93.5	Very high	32 Å²	32	22.4 Å²	22.4	22%	0.224	11%	0.109	C	C	.	.	H	α-helix	trans	-65.2	-43.1	179.7	-56.5	0	0	0	0	112.3	M263 Q264 E265 Y270 H271 W448 E452	M263-S267 PolarHBondContact O-N 3.09Å; Q264-S267 PolarHBondContact O-N 3.29Å; E265-S267 VanDerWaalsContact C-N 3.33Å; E265-S267 PolarHBondContact O-N 3.05Å; S267-Y270 PolarHBondContact O-N 3.15Å; S267-H271 PolarHBondContact O-N 3.08Å; S267-W448 PolarHBondContact OG-NE1 2.77Å; S267-E452 PolarHBondContact OG-OE1 2.95Å
268	L	94.2	Very high	93.7	Very high	22 Å²	22	19.1 Å²	19.1	12%	0.115	10%	0.095	C	C	.	.	H	α-helix	trans	-73.1	-37.3	-178.7	-73.3	164.7	0	0	0	112.7	F252 Q264 E265 Y270 H271 F272 L340 W354	F252-L268 HydrophobicContact CE1-CD1 3.99Å; F252-L268 HydrophobicContact CE2-CB 3.68Å; F252-L268 HydrophobicContact CE2-CD1 3.99Å; F252-L268 HydrophobicContact CE2-CG 4.47Å; F252-L268 HydrophobicContact CZ-CB 3.69Å; F252-L268 HydrophobicContact CZ-CD1 3.45Å; F252-L268 VanDerWaalsContact CZ-CD1 3.45Å; F252-L268 HydrophobicContact CZ-CG 4.11Å; Q264-L268 PolarHBondContact O-N 3.2Å; E265-L268 PolarHBondContact O-N 2.99Å; L268-Y270 VanDerWaalsContact C-N 3.31Å; L268-Y270 PolarHBondContact O-N 3.3Å; L268-H271 WeakPolarHBondContact O-CB 3.12Å; L268-H271 PolarHBondContact O-N 2.84Å; L268-F272 HydrophobicContact CB-CE2 4.17Å; L268-F272 WeakPolarHBondContact O-CD2 3.36Å; L268-F272 WeakPolarHBondContact O-CG 3.41Å; L268-F272 PolarHBondContact O-N 3.33Å; L268-L340 HydrophobicContact CD1-CD2 3.47Å; L268-L340 VanDerWaalsContact CD1-CD2 3.47Å; L268-W354 HydrophobicContact CD2-CH2 4.46Å; L268-W354 HydrophobicContact CD2-CZ3 4.18Å
269	N	94.2	Very high	93.9	Very high	11 Å²	11	18 Å²	18	6%	0.059	9%	0.087	C	C	.	.	H	α-helix	trans	-62	-39.7	174.1	-80.5	-21.7	0	0	0	111.8	R249 E265 F272 M273 A437 T438	R249-N269 VanDerWaalsContact NH2-CG 3.3Å; R249-N269 PolarHBondContact NH2-OD1 3.49Å; E265-N269 WeakPolarHBondContact CG-ND2 3.23Å; E265-N269 VanDerWaalsContact O-CB 3.26Å; E265-N269 WeakPolarHBondContact O-CB 3.37Å; E265-N269 VanDerWaalsContact O-CG 3.32Å; E265-N269 PolarHBondContact O-N 3.04Å; E265-N269 PolarHBondContact O-ND2 2.72Å; N269-F272 PolarHBondContact O-N 2.98Å; N269-M273 VanDerWaalsContact O-CB 3.25Å; N269-M273 WeakPolarHBondContact O-CB 3.43Å; N269-M273 PolarHBondContact O-N 3.31Å; N269-A437 HydrophobicContact CB-CB 4.3Å; N269-T438 VanDerWaalsContact CB-OG1 3.26Å; N269-T438 WeakPolarHBondContact CB-OG1 3.41Å; N269-T438 PolarHBondContact ND2-OG1 3.16Å
270	Y	94.2	Very high	94	Very high	28 Å²	28	14.7 Å²	14.7	11%	0.11	7%	0.07	C	C	.	.	H	α-helix	trans	-66.3	-41.1	173.4	-178.3	-103.8	0	0	0	112	N88 M266 S267 L268 F272 M273 A274 C433 I434 A437	N88-Y270 PolarHBondContact ND2-OH 3.35Å; M266-Y270 PolarHBondContact O-N 3.36Å; S267-Y270 PolarHBondContact O-N 3.15Å; L268-Y270 VanDerWaalsContact C-N 3.31Å; L268-Y270 PolarHBondContact O-N 3.3Å; Y270-F272 VanDerWaalsContact C-N 3.33Å; Y270-F272 PolarHBondContact O-N 3.43Å; Y270-M273 PolarHBondContact O-N 2.9Å; Y270-A274 HydrophobicContact CD2-CB 3.88Å; Y270-A274 HydrophobicContact CE1-CB 4.22Å; Y270-A274 HydrophobicContact CE2-CB 3.56Å; Y270-A274 HydrophobicContact CG-CB 4.36Å; Y270-A274 VanDerWaalsContact O-CB 3.3Å; Y270-A274 WeakPolarHBondContact O-CB 3.3Å; Y270-A274 PolarHBondContact O-N 3.05Å; Y270-C433 HydrophobicContact CE2-CB 4.1Å; Y270-I434 HydrophobicContact CD1-CD1 4.44Å; Y270-I434 HydrophobicContact CD1-CG1 3.75Å; Y270-I434 HydrophobicContact CD2-CB 4.25Å; Y270-I434 HydrophobicContact CD2-CG1 3.8Å; Y270-I434 HydrophobicContact CE1-CG1 4Å; Y270-I434 HydrophobicContact CE2-CG1 4.04Å; Y270-I434 HydrophobicContact CG-CB 4.23Å; Y270-I434 HydrophobicContact CG-CG1 3.63Å; Y270-I434 HydrophobicContact CG-CG2 4.44Å; Y270-A437 HydrophobicContact CD2-CB 4.44Å
271	H	94.1	Very high	94	Very high	37 Å²	37	17.4 Å²	17.4	17%	0.171	9%	0.087	C	C	.	.	I	π-helix	trans	-55.8	-46.6	174.5	176.1	67.2	0	0	0	111.9	S267 L268 E275 Q276	S267-H271 PolarHBondContact O-N 3.08Å; L268-H271 WeakPolarHBondContact O-CB 3.12Å; L268-H271 PolarHBondContact O-N 2.84Å; H271-E275 IonicContact CE1-OE1 2.62Å; H271-E275 IonicContact CE1-OE2 3.91Å; H271-E275 PolarHBondContact CE1-OE2 3.07Å; H271-E275 VanDerWaalsContact CE1-OE2 3.29Å; H271-E275 IonicContact CG-OE2 2.95Å; H271-E275 IonicContact ND1-OE2 3.67Å; H271-E275 PolarHBondContact ND1-OE2 3.19Å; H271-E275 WeakPolarHBondContact O-CA 3.24Å; H271-E275 VanDerWaalsContact O-CB 3.25Å; H271-E275 WeakPolarHBondContact O-CB 3.15Å; H271-E275 PolarHBondContact O-N 2.82Å; H271-Q276 PolarHBondContact O-N 3.07Å
272	F	93.7	Very high	94.1	Very high	1 Å²	1	24.6 Å²	24.6	0%	0.004	12%	0.115	C	C	.	.	I	π-helix	trans	-68.2	-53.5	177.2	-59.7	-39.2	0	0	0	112.7	R249 W250 F252 L268 N269 Y270 A274 Q276 E277 F330	R249-F272 HydrophobicContact CG-CB 4.31Å; R249-F272 HydrophobicContact CG-CD2 3.94Å; R249-F272 HydrophobicContact CG-CG 4.22Å; W250-F272 HydrophobicContact CB-CE2 3.75Å; W250-F272 HydrophobicContact CB-CZ 3.73Å; W250-F272 HydrophobicContact CD2-CE1 4.31Å; W250-F272 HydrophobicContact CD2-CE2 4.5Å; W250-F272 AromaticContact CD2-CZ 3.63Å; W250-F272 HydrophobicContact CD2-CZ 3.63Å; W250-F272 HydrophobicContact CE3-CE1 4.49Å; W250-F272 HydrophobicContact CE3-CE2 4.49Å; W250-F272 AromaticContact CE3-CZ 3.63Å; W250-F272 HydrophobicContact CE3-CZ 3.63Å; W250-F272 HydrophobicContact CG-CE1 4.4Å; W250-F272 HydrophobicContact CG-CE2 4.21Å; W250-F272 AromaticContact CG-CZ 3.67Å; W250-F272 HydrophobicContact CG-CZ 3.67Å; W250-F272 HydrophobicContact CZ3-CZ 4.47Å; F252-F272 HydrophobicContact CE2-CE2 4.12Å; F252-F272 AromaticContact CZ-CE2 3.79Å; F252-F272 HydrophobicContact CZ-CE2 3.79Å; F252-F272 HydrophobicContact CZ-CZ 4.29Å; L268-F272 HydrophobicContact CB-CE2 4.17Å; L268-F272 WeakPolarHBondContact O-CD2 3.36Å; L268-F272 WeakPolarHBondContact O-CG 3.41Å; L268-F272 PolarHBondContact O-N 3.33Å; N269-F272 PolarHBondContact O-N 2.98Å; Y270-F272 VanDerWaalsContact C-N 3.33Å; Y270-F272 PolarHBondContact O-N 3.43Å; F272-A274 PolarHBondContact O-N 3.49Å; F272-Q276 HydrophobicContact CD1-CG 4.39Å; F272-Q276 VanDerWaalsContact CD1-OE1 3.25Å; F272-E277 PolarHBondContact O-N 3.49Å; F272-F330 HydrophobicContact CB-CE1 4.38Å; F272-F330 HydrophobicContact CB-CZ 3.86Å; F272-F330 HydrophobicContact CD1-CZ 4.43Å; F272-F330 HydrophobicContact CG-CZ 4.39Å; F272-F330 WeakPolarHBondContact O-CE1 3.28Å
273	M	91.6	Very high	94	Very high	19 Å²	19	23.1 Å²	23.1	9%	0.094	11%	0.11	C	C	.	.	I	π-helix	trans	-69.9	-31.8	-172.2	-170.3	-172.2	73.8	0	0	112.9	V91 N269 Y270 E277 A437	V91-M273 HydrophobicContact CG1-CG 4.4Å; V91-M273 WeakPolarHBondContact CG2-O 3.05Å; N269-M273 VanDerWaalsContact O-CB 3.25Å; N269-M273 WeakPolarHBondContact O-CB 3.43Å; N269-M273 PolarHBondContact O-N 3.31Å; Y270-M273 PolarHBondContact O-N 2.9Å; M273-E277 WeakPolarHBondContact O-CB 3.43Å; M273-A437 HydrophobicContact CB-CB 4.49Å; M273-A437 HydrophobicContact CE-CB 3.45Å; M273-A437 VanDerWaalsContact CE-CB 3.45Å; M273-A437 HydrophobicContact SD-CB 4.04Å
274	A	93.3	Very high	94.1	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.116	C	C	.	.	I	π-helix	trans	-106.1	-56.1	-177.6	0	0	0	0	0	112.5	M87 Y270 F272 S278	M87-A274 HydrophobicContact CB-CB 4.41Å; Y270-A274 HydrophobicContact CD2-CB 3.88Å; Y270-A274 HydrophobicContact CE1-CB 4.22Å; Y270-A274 HydrophobicContact CE2-CB 3.56Å; Y270-A274 HydrophobicContact CG-CB 4.36Å; Y270-A274 VanDerWaalsContact O-CB 3.3Å; Y270-A274 WeakPolarHBondContact O-CB 3.3Å; Y270-A274 PolarHBondContact O-N 3.05Å; F272-A274 PolarHBondContact O-N 3.49Å; A274-S278 WeakPolarHBondContact O-CB 3.32Å; A274-S278 PolarHBondContact O-N 3.27Å; A274-S278 PolarHBondContact O-OG 3Å
275	E	93.5	Very high	94.2	Very high	29 Å²	29	23.5 Å²	23.5	14%	0.136	12%	0.115	C	C	.	.	I	π-helix	trans	-72.8	-48.1	-172.3	-171.2	-178.8	168.6	0	0	112.1	M87 H271 S278 G279 R391 K392	M87-E275 HydrophobicContact SD-CB 4.31Å; M87-E275 HydrophobicContact SD-CG 4.45Å; H271-E275 IonicContact CE1-OE1 2.62Å; H271-E275 IonicContact CE1-OE2 3.91Å; H271-E275 PolarHBondContact CE1-OE2 3.07Å; H271-E275 VanDerWaalsContact CE1-OE2 3.29Å; H271-E275 IonicContact CG-OE2 2.95Å; H271-E275 IonicContact ND1-OE2 3.67Å; H271-E275 PolarHBondContact ND1-OE2 3.19Å; H271-E275 WeakPolarHBondContact O-CA 3.24Å; H271-E275 VanDerWaalsContact O-CB 3.25Å; H271-E275 WeakPolarHBondContact O-CB 3.15Å; H271-E275 PolarHBondContact O-N 2.82Å; E275-S278 PolarHBondContact O-OG 2.96Å; E275-G279 PolarHBondContact O-N 3.5Å; E275-G279 VanDerWaalsContact O-N 3.08Å; E275-R391 IonicContact OE1-CZ 3.67Å; E275-R391 IonicContact OE1-NE 2.71Å; E275-R391 PolarHBondContact OE1-NE 2.87Å; E275-K392 IonicContact OE1-NZ 2.72Å; E275-K392 PolarHBondContact OE1-NZ 2.97Å; E275-K392 IonicContact OE2-NZ 3.75Å
276	Q	94.6	Very high	94.2	Very high	1 Å²	1	23 Å²	23	1%	0.005	11%	0.113	C	C	.	.	I	π-helix	trans	-73.3	-44.4	-179.6	-59.8	-152.5	-57.4	0	0	112.5	H271 F272 G279 S280 F286 S287 N289 F330	H271-Q276 PolarHBondContact O-N 3.07Å; F272-Q276 HydrophobicContact CD1-CG 4.39Å; F272-Q276 VanDerWaalsContact CD1-OE1 3.25Å; Q276-G279 PolarHBondContact O-N 3.05Å; Q276-S280 VanDerWaalsContact O-CB 3.27Å; Q276-S280 WeakPolarHBondContact O-CB 3.47Å; Q276-S280 PolarHBondContact O-N 3.28Å; Q276-F286 HydrophobicContact CB-CG 4.49Å; Q276-S287 PolarHBondContact NE2-O 2.98Å; Q276-N289 VanDerWaalsContact NE2-CG 3.29Å; Q276-N289 PolarHBondContact NE2-ND2 3.47Å; Q276-N289 VanDerWaalsContact NE2-ND2 3.19Å; Q276-N289 PolarHBondContact NE2-OD1 3.44Å; Q276-N289 PolarHBondContact OE1-ND2 2.87Å; Q276-F330 HydrophobicContact CB-CB 4.47Å; Q276-F330 HydrophobicContact CB-CD1 3.99Å; Q276-F330 HydrophobicContact CB-CD2 3.94Å; Q276-F330 HydrophobicContact CB-CE1 4.2Å; Q276-F330 HydrophobicContact CB-CE2 4.17Å; Q276-F330 HydrophobicContact CB-CG 3.86Å; Q276-F330 HydrophobicContact CB-CZ 4.3Å
277	E	94.4	Very high	94.2	Very high	19 Å²	19	23.6 Å²	23.6	9%	0.089	12%	0.117	C	C	.	.	H	α-helix	trans	-57.4	-52.2	175.9	-168.3	72.4	-162.5	0	0	110.9	V91 F272 M273 G279 S280 T281 F330	V91-E277 HydrophobicContact CG2-CB 4.25Å; V91-E277 HydrophobicContact CG2-CG 4.24Å; F272-E277 PolarHBondContact O-N 3.49Å; M273-E277 WeakPolarHBondContact O-CB 3.43Å; E277-G279 VanDerWaalsContact C-N 3.35Å; E277-G279 PolarHBondContact O-N 2.62Å; E277-S280 PolarHBondContact O-N 3.18Å; E277-T281 PolarHBondContact O-N 3.14Å; E277-T281 PolarHBondContact O-OG1 3.41Å; E277-F330 WeakPolarHBondContact OE2-CD1 3.33Å
278	S	94.9	Very high	94.4	Very high	4 Å²	4	22 Å²	22	3%	0.028	11%	0.106	C	C	.	.	H	α-helix	trans	-64.9	-37.7	-179.3	67.7	0	0	0	0	112.8	M87 A274 E275 R282	M87-S278 WeakPolarHBondContact CG-OG 3.38Å; A274-S278 WeakPolarHBondContact O-CB 3.32Å; A274-S278 PolarHBondContact O-N 3.27Å; A274-S278 PolarHBondContact O-OG 3Å; E275-S278 PolarHBondContact O-OG 2.96Å; S278-R282 WeakPolarHBondContact O-CB 3.42Å; S278-R282 PolarHBondContact O-N 3.32Å
279	G	94.6	Very high	94.4	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-62.1	-47.5	174.1	0	0	0	0	0	112.8	E275 Q276 E277 H283 A284 F285	E275-G279 PolarHBondContact O-N 3.5Å; E275-G279 VanDerWaalsContact O-N 3.08Å; Q276-G279 PolarHBondContact O-N 3.05Å; E277-G279 VanDerWaalsContact C-N 3.35Å; E277-G279 PolarHBondContact O-N 2.62Å; G279-H283 CarbonylContact O-C 3.55Å; G279-H283 WeakPolarHBondContact O-CA 3.11Å; G279-H283 WeakPolarHBondContact O-CB 3.4Å; G279-H283 PolarHBondContact O-N 2.82Å; G279-A284 PolarHBondContact O-N 2.88Å; G279-F285 CarbonylContact C-O 3.6Å; G279-F285 WeakPolarHBondContact CA-O 3.35Å; G279-F285 PolarHBondContact O-N 3.48Å; G279-F285 VanDerWaalsContact O-N 3.1Å; G279-F285 VanDerWaalsContact O-O 3.05Å
280	S	95.7	Very high	94.4	Very high	7 Å²	7	21.5 Å²	21.5	5%	0.049	10%	0.103	C	C	.	.	H	α-helix	trans	-58	-54.7	175	178	0	0	0	0	111	Q276 E277 A284 F330	Q276-S280 VanDerWaalsContact O-CB 3.27Å; Q276-S280 WeakPolarHBondContact O-CB 3.47Å; Q276-S280 PolarHBondContact O-N 3.28Å; E277-S280 PolarHBondContact O-N 3.18Å; S280-A284 VanDerWaalsContact O-CA 3.25Å; S280-A284 WeakPolarHBondContact O-CA 3.3Å; S280-A284 PolarHBondContact O-N 2.86Å; S280-A284 VanDerWaalsContact O-N 3.13Å; S280-F330 PolarHBondContact OG-N 3.4Å
281	T	93.9	Very high	94.5	Very high	60 Å²	60	20.1 Å²	20.1	37%	0.368	10%	0.098	S	C	.	.	H	α-helix	trans	-67.3	-46.3	-174.5	-53.5	0	0	0	0	113.1	V90 V94 E277	V90-T281 HydrophobicContact CG1-CG2 4.27Å; V94-T281 HydrophobicContact CG2-CG2 3.61Å; E277-T281 PolarHBondContact O-N 3.14Å; E277-T281 PolarHBondContact O-OG1 3.41Å
282	R	93.7	Very high	94.7	Very high	151 Å²	151	18.4 Å²	18.4	57%	0.57	9%	0.09	S	C	*	.	H	α-helix	trans	-89.6	-37.6	-170.8	-178.5	72.1	-175.8	85.5	-7	113.4	Y86 S278	Y86-R282 WeakPolarHBondContact OH-CD 3.32Å; Y86-R282 WeakPolarHBondContact OH-CG 3.17Å; S278-R282 WeakPolarHBondContact O-CB 3.42Å; S278-R282 PolarHBondContact O-N 3.32Å
283	H	93	Very high	94.9	Very high	40 Å²	40	18.3 Å²	18.3	19%	0.185	9%	0.09	C	C	.	.	H	α-helix	trans	-116.4	-3.9	-167.6	-57.1	-71.7	0	0	0	112.5	G279 F285 K379 Y382	G279-H283 CarbonylContact O-C 3.55Å; G279-H283 WeakPolarHBondContact O-CA 3.11Å; G279-H283 WeakPolarHBondContact O-CB 3.4Å; G279-H283 PolarHBondContact O-N 2.82Å; H283-F285 PolarHBondContact O-N 2.9Å; H283-F285 VanDerWaalsContact O-N 3.16Å; H283-K379 PolarHBondContact O-NZ 3Å; H283-Y382 HydrophobicContact CB-CD1 3.95Å; H283-Y382 HydrophobicContact CB-CE1 3.82Å; H283-Y382 HydrophobicContact CB-CG 4.36Å; H283-Y382 AromaticContact CD2-CD2 3.43Å; H283-Y382 VanDerWaalsContact CD2-CD2 3.43Å; H283-Y382 WeakPolarHBondContact CD2-CD2 3.39Å; H283-Y382 AromaticContact CD2-CE2 3.17Å; H283-Y382 WeakPolarHBondContact CD2-CE2 3.35Å; H283-Y382 AromaticContact CD2-CG 3.94Å; H283-Y382 AromaticContact CD2-CZ 3.48Å; H283-Y382 VanDerWaalsContact CD2-CZ 3.48Å; H283-Y382 AromaticContact CE1-CD2 3.42Å; H283-Y382 VanDerWaalsContact CE1-CD2 3.42Å; H283-Y382 WeakPolarHBondContact CE1-CD2 3.29Å; H283-Y382 AromaticContact CE1-CE2 3.98Å; H283-Y382 AromaticContact CE1-CG 3.75Å; H283-Y382 AromaticContact CG-CD1 3.8Å; H283-Y382 AromaticContact CG-CD2 3.71Å; H283-Y382 AromaticContact CG-CE1 3.86Å; H283-Y382 AromaticContact CG-CE2 3.76Å; H283-Y382 AromaticContact CG-CG 3.71Å; H283-Y382 AromaticContact CG-CZ 3.82Å; H283-Y382 AromaticContact ND1-CD2 3.71Å; H283-Y382 AromaticContact ND1-CG 3.6Å; H283-Y382 AromaticContact NE2-CD2 3.25Å; H283-Y382 VanDerWaalsContact NE2-CD2 3.25Å; H283-Y382 WeakPolarHBondContact NE2-CD2 3.48Å; H283-Y382 AromaticContact NE2-CE2 3.35Å; H283-Y382 WeakPolarHBondContact NE2-CE2 3.3Å; H283-Y382 AromaticContact NE2-CG 3.98Å
284	A	94.9	Very high	95.2	Very high	18 Å²	18	17.4 Å²	17.4	15%	0.149	9%	0.085	C	C	.	.	S	Bend	trans	47.7	38	-171	0	0	0	0	0	111.5	G279 S280 K327 F328	G279-A284 PolarHBondContact O-N 2.88Å; S280-A284 VanDerWaalsContact O-CA 3.25Å; S280-A284 WeakPolarHBondContact O-CA 3.3Å; S280-A284 PolarHBondContact O-N 2.86Å; S280-A284 VanDerWaalsContact O-N 3.13Å; A284-K327 HydrophobicContact CB-CB 3.88Å; A284-K327 HydrophobicContact CB-CD 4.19Å; A284-K327 HydrophobicContact CB-CG 3.8Å; A284-F328 PolarHBondContact O-N 3.04Å
285	F	96.8	Very high	95.5	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.085	C	C	.	.			trans	-159	138	-176.2	178.3	-80.4	0	0	0	112	G279 H283 A318 V319 F328 Y382 L383 F387	G279-F285 CarbonylContact C-O 3.6Å; G279-F285 WeakPolarHBondContact CA-O 3.35Å; G279-F285 PolarHBondContact O-N 3.48Å; G279-F285 VanDerWaalsContact O-N 3.1Å; G279-F285 VanDerWaalsContact O-O 3.05Å; H283-F285 PolarHBondContact O-N 2.9Å; H283-F285 VanDerWaalsContact O-N 3.16Å; F285-A318 VanDerWaalsContact CE2-O 3.31Å; F285-A318 WeakPolarHBondContact CE2-O 3.38Å; F285-V319 HydrophobicContact CZ-CB 4.43Å; F285-V319 HydrophobicContact CZ-CG2 3.83Å; F285-F328 AromaticContact CD2-CD2 3.95Å; F285-F328 HydrophobicContact CD2-CD2 3.95Å; F285-F328 AromaticContact CD2-CE2 3.52Å; F285-F328 HydrophobicContact CD2-CE2 3.52Å; F285-F328 HydrophobicContact CD2-CZ 4.28Å; F285-F328 HydrophobicContact CE2-CD2 4.49Å; F285-F328 AromaticContact CE2-CE2 3.72Å; F285-F328 HydrophobicContact CE2-CE2 3.72Å; F285-F328 HydrophobicContact CE2-CZ 4.43Å; F285-F328 HydrophobicContact CG-CD2 4.37Å; F285-F328 HydrophobicContact CG-CE2 4.34Å; F285-Y382 AromaticContact CD1-CE1 3.88Å; F285-Y382 HydrophobicContact CD1-CE1 3.88Å; F285-L383 HydrophobicContact CD1-CD2 3.72Å; F285-L383 HydrophobicContact CD2-CD2 4.37Å; F285-L383 HydrophobicContact CE1-CD2 3.3Å; F285-L383 HydrophobicContact CE2-CD2 4Å; F285-L383 HydrophobicContact CG-CD2 4.24Å; F285-L383 HydrophobicContact CZ-CD2 3.47Å; F285-L383 VanDerWaalsContact CZ-CD2 3.47Å; F285-F387 HydrophobicContact CD1-CD2 4.48Å; F285-F387 HydrophobicContact CE1-CD1 4.46Å; F285-F387 AromaticContact CE1-CD2 3.88Å; F285-F387 HydrophobicContact CE1-CD2 3.88Å; F285-F387 HydrophobicContact CE1-CE1 4.37Å; F285-F387 AromaticContact CE1-CE2 3.82Å; F285-F387 HydrophobicContact CE1-CE2 3.82Å; F285-F387 HydrophobicContact CE1-CG 4.25Å; F285-F387 HydrophobicContact CE1-CZ 4.07Å
286	F	95.8	Very high	95.7	Very high	5 Å²	5	17.7 Å²	17.7	2%	0.022	9%	0.085	C	C	.	.			trans	-152.1	170.6	167.6	52.1	-89.6	0	0	0	107.2	L245 Q247 Q276 F288 F328 F330	L245-F286 HydrophobicContact CD2-CE2 4.01Å; L245-F286 HydrophobicContact CD2-CZ 4.24Å; Q247-F286 HydrophobicContact CB-CE2 3.38Å; Q247-F286 HydrophobicContact CB-CZ 3.53Å; Q247-F286 HydrophobicContact CG-CE2 3.81Å; Q247-F286 HydrophobicContact CG-CZ 4.39Å; Q276-F286 HydrophobicContact CB-CG 4.49Å; F286-F288 PolarHBondContact O-N 2.75Å; F286-F328 HydrophobicContact CD1-CB 3.98Å; F286-F328 HydrophobicContact CE1-CB 3.4Å; F286-F328 VanDerWaalsContact CE1-CB 3.4Å; F286-F328 HydrophobicContact CZ-CB 3.73Å; F286-F328 WeakPolarHBondContact O-CD2 3.47Å; F286-F330 HydrophobicContact CD1-CB 4.3Å; F286-F330 HydrophobicContact CE1-CB 3.81Å; F286-F330 HydrophobicContact CZ-CB 4.06Å
287	S	94.5	Very high	95.9	Very high	11 Å²	11	18 Å²	18	8%	0.077	9%	0.087	C	C	.	.			trans	-69.8	131.5	173.4	-168.1	0	0	0	0	109.9	Q276 N289 M315	Q276-S287 PolarHBondContact NE2-O 2.98Å; S287-N289 PolarHBondContact O-N 3.39Å; S287-N289 PolarHBondContact O-OD1 2.86Å; S287-M315 WeakPolarHBondContact OG-CB 3.06Å; S287-M315 VanDerWaalsContact OG-CE 3.3Å; S287-M315 WeakPolarHBondContact OG-CE 3.27Å; S287-M315 WeakPolarHBondContact OG-CG 3.49Å
288	F	96.5	Very high	96	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.104	C	C	.	.			trans	-59.4	137.8	162.3	-179.9	-132.9	0	0	0	109	I218 L245 F286 G290 T291 W295 W306 D314 A318	I218-F288 HydrophobicContact CB-CZ 4.36Å; I218-F288 HydrophobicContact CD1-CE1 4.31Å; I218-F288 HydrophobicContact CD1-CZ 4.14Å; L245-F288 HydrophobicContact CD1-CD2 3.87Å; L245-F288 HydrophobicContact CD1-CE2 4.19Å; L245-F288 HydrophobicContact CD2-CB 3.85Å; L245-F288 HydrophobicContact CD2-CD2 3.9Å; L245-F288 HydrophobicContact CD2-CG 4.18Å; F286-F288 PolarHBondContact O-N 2.75Å; F288-G290 VanDerWaalsContact C-N 3.25Å; F288-G290 PolarHBondContact O-N 3.16Å; F288-T291 VanDerWaalsContact CZ-N 3.34Å; F288-W295 HydrophobicContact CB-CZ2 3.8Å; F288-W295 HydrophobicContact CD1-CZ2 4.04Å; F288-W295 AromaticContact CD1-NE1 3.45Å; F288-W295 AromaticContact CD2-NE1 3.79Å; F288-W295 AromaticContact CE1-NE1 3.45Å; F288-W295 AromaticContact CE2-NE1 3.83Å; F288-W295 AromaticContact CG-CZ2 3.86Å; F288-W295 HydrophobicContact CG-CZ2 3.86Å; F288-W295 AromaticContact CG-NE1 3.65Å; F288-W295 AromaticContact CZ-NE1 3.65Å; F288-W306 HydrophobicContact CD1-CH2 4.27Å; F288-W306 AromaticContact CE1-CH2 3.91Å; F288-W306 HydrophobicContact CE1-CH2 3.91Å; F288-D314 HydrophobicContact CB-CB 4.41Å; F288-D314 HydrophobicContact CD1-CB 3.61Å; F288-D314 HydrophobicContact CE1-CB 4.26Å; F288-D314 HydrophobicContact CG-CB 4.33Å; F288-A318 HydrophobicContact CB-CB 4.01Å
289	N	94.3	Very high	96.1	Very high	20 Å²	20	19.5 Å²	19.5	11%	0.107	10%	0.102	C	C	.	.			trans	-86	1.3	-176.3	-61	-29.6	0	0	0	113.1	W250 Q276 S287 T291 D314	W250-N289 HydrophobicContact CH2-CB 4.03Å; W250-N289 HydrophobicContact CZ2-CB 3.29Å; W250-N289 WeakPolarHBondContact CZ2-O 3.24Å; Q276-N289 VanDerWaalsContact NE2-CG 3.29Å; Q276-N289 PolarHBondContact NE2-ND2 3.47Å; Q276-N289 VanDerWaalsContact NE2-ND2 3.19Å; Q276-N289 PolarHBondContact NE2-OD1 3.44Å; Q276-N289 PolarHBondContact OE1-ND2 2.87Å; S287-N289 PolarHBondContact O-N 3.39Å; S287-N289 PolarHBondContact O-OD1 2.86Å; N289-T291 VanDerWaalsContact C-N 3.3Å; N289-T291 PolarHBondContact O-N 3.18Å; N289-D314 VanDerWaalsContact C-OD2 3.26Å
290	G	94.3	Very high	96.3	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.01	10%	0.103	C	C	.	.	S	Bend	trans	85.9	-7.9	-178.5	0	0	0	0	0	114.9	K197 I218 F288 D314	K197-G290 PolarHBondContact NZ-O 3.4Å; I218-G290 WeakPolarHBondContact CG2-O 3.45Å; F288-G290 VanDerWaalsContact C-N 3.25Å; F288-G290 PolarHBondContact O-N 3.16Å; G290-D314 VanDerWaalsContact CA-CB 3.46Å; G290-D314 WeakPolarHBondContact CA-OD2 3.17Å; G290-D314 PolarHBondContact N-OD2 3Å; G290-D314 VanDerWaalsContact N-OD2 3.17Å
291	T	96.8	Very high	96.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.129	C	C	.	.	S	Bend	trans	-160.8	163.6	-177	175.8	0	0	0	0	110.4	I218 F219 D220 F223 Q247 W250 F288 N289 G293	I218-T291 CarbonylContact O-C 3.51Å; I218-T291 WeakPolarHBondContact O-CA 3.44Å; F219-T291 WeakPolarHBondContact CA-OG1 3.44Å; D220-T291 HydrophobicContact CB-CG2 4.4Å; D220-T291 PolarHBondContact N-OG1 2.63Å; D220-T291 WeakPolarHBondContact OD2-CG2 3.45Å; F223-T291 HydrophobicContact CD1-CG2 4.11Å; F223-T291 WeakPolarHBondContact CD1-OG1 3.31Å; F223-T291 HydrophobicContact CD2-CG2 4.14Å; F223-T291 HydrophobicContact CE1-CG2 3.55Å; F223-T291 HydrophobicContact CE2-CG2 3.58Å; F223-T291 HydrophobicContact CG-CG2 4.4Å; F223-T291 WeakPolarHBondContact CG-OG1 3.49Å; F223-T291 HydrophobicContact CZ-CG2 3.26Å; Q247-T291 PolarHBondContact NE2-O 3.08Å; W250-T291 HydrophobicContact CH2-CG2 4.33Å; W250-T291 HydrophobicContact CZ2-CG2 3.4Å; F288-T291 VanDerWaalsContact CZ-N 3.34Å; N289-T291 VanDerWaalsContact C-N 3.3Å; N289-T291 PolarHBondContact O-N 3.18Å; T291-G293 PolarHBondContact O-N 3.28Å
292	A	97.7	Very high	96.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.132	C	C	.	.	S	Bend	trans	57.8	31.9	-178.5	0	0	0	0	0	113.8	I218 F219 F223 Y229 Q247 A248 V336	I218-A292 PolarHBondContact O-N 2.62Å; F219-A292 HydrophobicContact CE1-CB 4.34Å; F223-A292 HydrophobicContact CD1-CB 4.09Å; F223-A292 HydrophobicContact CE1-CB 4.2Å; Y229-A292 PolarHBondContact OH-O 3.37Å; Q247-A292 PolarHBondContact NE2-O 3.05Å; Q247-A292 VanDerWaalsContact NE2-O 3.09Å; A248-A292 HydrophobicContact CB-CB 4.44Å; A248-A292 WeakPolarHBondContact CB-O 3.04Å; A248-A292 PolarHBondContact N-O 3.14Å; A292-V336 HydrophobicContact CB-CB 3.94Å; A292-V336 HydrophobicContact CB-CG1 4.32Å; A292-V336 HydrophobicContact CB-CG2 3.76Å
293	G	98	Very high	96.6	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	144.8	172.8	0	0	0	0	0	112.6	V217 I218 V246 T291	V217-G293 WeakPolarHBondContact CA-O 3.29Å; I218-G293 PolarHBondContact N-O 2.8Å; V246-G293 CarbonylContact O-C 3.52Å; V246-G293 WeakPolarHBondContact O-CA 3.25Å; T291-G293 PolarHBondContact O-N 3.28Å
294	V	98.5	Very high	96.7	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	121	176.8	-172.3	0	0	0	0	108.6	V216 V217 Y229 S233 V234 L237 L245 V246	V216-V294 CarbonylContact O-C 3.56Å; V216-V294 WeakPolarHBondContact O-CA 3.48Å; V217-V294 HydrophobicContact CB-CG2 4.44Å; V217-V294 HydrophobicContact CG1-CG2 4.17Å; V217-V294 HydrophobicContact CG2-CB 4.13Å; V217-V294 HydrophobicContact CG2-CG1 3.92Å; V217-V294 HydrophobicContact CG2-CG2 3.61Å; Y229-V294 HydrophobicContact CE1-CG2 3.79Å; S233-V294 VanDerWaalsContact OG-CG2 3.31Å; S233-V294 WeakPolarHBondContact OG-CG2 3.38Å; V234-V294 HydrophobicContact CG2-CG1 4.44Å; L237-V294 HydrophobicContact CD1-CB 3.72Å; L237-V294 HydrophobicContact CD1-CG1 3.29Å; L245-V294 WeakPolarHBondContact CA-O 3.3Å; V246-V294 PolarHBondContact N-O 3.02Å; V246-V294 PolarHBondContact O-N 3.14Å
295	W	98.6	Very high	96.8	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	141.4	177.6	-77.8	93.7	0	0	0	111.5	Y215 V216 A244 L245 F288 M300 L317 A321 F328	Y215-W295 CarbonylContact C-O 3.59Å; Y215-W295 VanDerWaalsContact CA-O 3.23Å; Y215-W295 WeakPolarHBondContact CA-O 3.43Å; V216-W295 HydrophobicContact CG1-CB 3.85Å; V216-W295 PolarHBondContact N-O 2.73Å; V216-W295 PolarHBondContact O-N 2.88Å; A244-W295 HydrophobicContact CB-CE3 4.45Å; A244-W295 HydrophobicContact CB-CZ3 4.28Å; A244-W295 CarbonylContact O-C 3.47Å; A244-W295 VanDerWaalsContact O-CA 3.3Å; A244-W295 WeakPolarHBondContact O-CA 3.49Å; L245-W295 HydrophobicContact CB-CD2 4.22Å; L245-W295 HydrophobicContact CB-CE3 4.06Å; L245-W295 HydrophobicContact CB-CH2 4.14Å; L245-W295 HydrophobicContact CB-CZ2 4.32Å; L245-W295 HydrophobicContact CB-CZ3 4.02Å; L245-W295 HydrophobicContact CD1-CD2 3.96Å; L245-W295 HydrophobicContact CD1-CG 4.12Å; L245-W295 HydrophobicContact CD1-CZ2 4.16Å; L245-W295 HydrophobicContact CD2-CH2 4.06Å; L245-W295 HydrophobicContact CD2-CZ2 3.74Å; L245-W295 HydrophobicContact CG-CZ2 4.29Å; F288-W295 HydrophobicContact CB-CZ2 3.8Å; F288-W295 HydrophobicContact CD1-CZ2 4.04Å; F288-W295 AromaticContact CD1-NE1 3.45Å; F288-W295 AromaticContact CD2-NE1 3.79Å; F288-W295 AromaticContact CE1-NE1 3.45Å; F288-W295 AromaticContact CE2-NE1 3.83Å; F288-W295 AromaticContact CG-CZ2 3.86Å; F288-W295 HydrophobicContact CG-CZ2 3.86Å; F288-W295 AromaticContact CG-NE1 3.65Å; F288-W295 AromaticContact CZ-NE1 3.65Å; W295-M300 HydrophobicContact CB-CG 3.93Å; W295-M300 HydrophobicContact CB-SD 3.42Å; W295-M300 WeakPolarHBondContact CB-SD 3Å; W295-M300 HydrophobicContact CD2-CG 4.09Å; W295-M300 HydrophobicContact CD2-SD 4.27Å; W295-M300 HydrophobicContact CE3-CG 3.94Å; W295-M300 HydrophobicContact CG-CG 4.14Å; W295-M300 HydrophobicContact CG-SD 3.75Å; W295-L317 HydrophobicContact CD2-CD2 4.38Å; W295-L317 HydrophobicContact CH2-CD2 4.33Å; W295-L317 HydrophobicContact CH2-CG 4.02Å; W295-L317 HydrophobicContact CZ2-CD2 3.97Å; W295-L317 HydrophobicContact CZ2-CG 4.06Å; W295-L317 HydrophobicContact CZ3-CG 4.45Å; W295-A321 HydrophobicContact CH2-CB 4.32Å; W295-A321 HydrophobicContact CZ3-CB 3.95Å; W295-F328 HydrophobicContact CH2-CE1 4.13Å; W295-F328 AromaticContact CH2-CZ 3.98Å; W295-F328 HydrophobicContact CH2-CZ 3.98Å; W295-F328 HydrophobicContact CZ3-CE1 4.05Å; W295-F328 HydrophobicContact CZ3-CZ 4.31Å
296	R	98.4	Very high	96.7	Very high	35 Å²	35	20.7 Å²	20.7	13%	0.132	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	124.7	161.4	-175.8	-176.4	-60.5	-80.9	4.4	109.5	Y215 L237 N240 V243 A244 A298 A299 M300	Y215-R296 HydrophobicContact CD1-CB 4.31Å; Y215-R296 HydrophobicContact CE1-CB 4.22Å; Y215-R296 HydrophobicContact CE1-CG 4.22Å; Y215-R296 PolarHBondContact OH-NH1 3.24Å; L237-R296 HydrophobicContact CD2-CB 4.33Å; L237-R296 PolarHBondContact O-NH2 3.37Å; N240-R296 PolarHBondContact O-NH2 3.43Å; V243-R296 PolarHBondContact O-NE 3.13Å; V243-R296 PolarHBondContact O-NH2 3.07Å; A244-R296 PolarHBondContact O-N 3.47Å; R296-A298 HydrophobicContact CG-CB 4.27Å; R296-A298 PolarHBondContact O-N 3.18Å; R296-A299 HydrophobicContact CB-CB 4.14Å; R296-A299 PolarHBondContact O-N 3.5Å; R296-A299 VanDerWaalsContact O-N 3.13Å; R296-M300 PolarHBondContact O-N 3.41Å
297	M	97.7	Very high	96.6	Very high	8 Å²	8	23.3 Å²	23.3	4%	0.039	14%	0.137	C	C	.	.	H	α-helix	trans	-58	-47.6	-178.8	-67.9	-70	-72.8	0	0	112	M205 V210 C213 N214 V216 A299 M300 E301	M205-M297 HydrophobicContact CE-CE 3.32Å; M205-M297 HydrophobicContact CE-SD 3.62Å; M205-M297 HydrophobicContact SD-CE 4.37Å; V210-M297 HydrophobicContact CG1-CE 3.42Å; V210-M297 VanDerWaalsContact CG1-CE 3.42Å; C213-M297 WeakPolarHBondContact O-CG 3.22Å; N214-M297 WeakPolarHBondContact O-CB 3.25Å; N214-M297 VanDerWaalsContact O-CG 3.25Å; N214-M297 WeakPolarHBondContact O-CG 3.46Å; N214-M297 PolarHBondContact O-N 3.02Å; V216-M297 HydrophobicContact CB-SD 3.59Å; V216-M297 VanDerWaalsContact CB-SD 3.59Å; V216-M297 HydrophobicContact CG1-SD 3.48Å; V216-M297 WeakPolarHBondContact CG1-SD 2.77Å; M297-A299 VanDerWaalsContact C-N 3.26Å; M297-A299 PolarHBondContact O-N 3.39Å; M297-M300 WeakPolarHBondContact O-CB 3.47Å; M297-M300 PolarHBondContact O-N 3.48Å; M297-E301 WeakPolarHBondContact O-CG 3.29Å; M297-E301 PolarHBondContact O-N 3.14Å
298	A	97.4	Very high	96.4	Very high	53 Å²	53	26.7 Å²	26.7	44%	0.438	15%	0.154	S	C	.	.	H	α-helix	trans	-56.8	-36.7	177.7	0	0	0	0	0	113.5	R296 E301 E302	R296-A298 HydrophobicContact CG-CB 4.27Å; R296-A298 PolarHBondContact O-N 3.18Å; A298-E301 PolarHBondContact O-N 3.36Å; A298-E302 WeakPolarHBondContact O-CB 3.44Å; A298-E302 PolarHBondContact O-N 2.92Å
299	A	97.8	Very high	96	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-71.4	-35.7	177.7	0	0	0	0	0	111.9	A244 R296 M297 A303 W326	A244-A299 HydrophobicContact CB-CB 3.4Å; R296-A299 HydrophobicContact CB-CB 4.14Å; R296-A299 PolarHBondContact O-N 3.5Å; R296-A299 VanDerWaalsContact O-N 3.13Å; M297-A299 VanDerWaalsContact C-N 3.26Å; M297-A299 PolarHBondContact O-N 3.39Å; A299-A303 VanDerWaalsContact O-CB 3.27Å; A299-A303 WeakPolarHBondContact O-CB 3.41Å; A299-A303 PolarHBondContact O-N 3.38Å; A299-A303 VanDerWaalsContact O-N 3.08Å; A299-W326 HydrophobicContact CB-CD2 3.66Å; A299-W326 HydrophobicContact CB-CE3 4.05Å; A299-W326 HydrophobicContact CB-CG 4.03Å; A299-W326 HydrophobicContact CB-CH2 4.32Å; A299-W326 HydrophobicContact CB-CZ2 3.95Å; A299-W326 HydrophobicContact CB-CZ3 4.33Å
300	M	97.3	Very high	95.7	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.01	16%	0.161	C	C	.	.	H	α-helix	trans	-66.9	-43.7	173.1	-67.7	-176.8	59.2	0	0	111.5	M205 V216 W295 R296 M297 A303 G304 G305 W306 L317	M205-M300 HydrophobicContact CE-CE 4.16Å; V216-M300 HydrophobicContact CG1-CE 4.27Å; V216-M300 HydrophobicContact CG1-SD 3.34Å; V216-M300 WeakPolarHBondContact CG1-SD 3.39Å; W295-M300 HydrophobicContact CB-CG 3.93Å; W295-M300 HydrophobicContact CB-SD 3.42Å; W295-M300 WeakPolarHBondContact CB-SD 3Å; W295-M300 HydrophobicContact CD2-CG 4.09Å; W295-M300 HydrophobicContact CD2-SD 4.27Å; W295-M300 HydrophobicContact CE3-CG 3.94Å; W295-M300 HydrophobicContact CG-CG 4.14Å; W295-M300 HydrophobicContact CG-SD 3.75Å; R296-M300 PolarHBondContact O-N 3.41Å; M297-M300 WeakPolarHBondContact O-CB 3.47Å; M297-M300 PolarHBondContact O-N 3.48Å; M300-A303 PolarHBondContact O-N 3.04Å; M300-G304 PolarHBondContact O-N 3.48Å; M300-G305 WeakPolarHBondContact O-CA 3.49Å; M300-G305 PolarHBondContact O-N 2.58Å; M300-W306 HydrophobicContact CE-CD2 4.32Å; M300-W306 VanDerWaalsContact CE-CE2 3.46Å; M300-W306 HydrophobicContact CE-CZ2 3.6Å; M300-W306 VanDerWaalsContact CE-NE1 3.31Å; M300-L317 HydrophobicContact CE-CD2 3.86Å; M300-L317 HydrophobicContact CG-CD2 4.13Å; M300-L317 HydrophobicContact SD-CD2 4.39Å
301	E	96.4	Very high	95.3	Very high	128 Å²	128	29.7 Å²	29.7	60%	0.598	17%	0.167	S	C	*	.	H	α-helix	trans	-61.7	-48.1	177.3	-71.6	175.7	-178.4	0	0	111.5	M297 A298 A303 G304	M297-E301 WeakPolarHBondContact O-CG 3.29Å; M297-E301 PolarHBondContact O-N 3.14Å; A298-E301 PolarHBondContact O-N 3.36Å; E301-A303 VanDerWaalsContact C-N 3.25Å; E301-A303 PolarHBondContact O-N 3.33Å; E301-G304 PolarHBondContact O-N 2.94Å
302	E	96.7	Very high	95	Very high	91 Å²	91	30 Å²	30	43%	0.425	17%	0.169	S	C	.	.	H	α-helix	trans	-61.6	-35.3	176.8	-162.1	-166.5	169.5	0	0	111.8	A298 G304 L324 W326 R374	A298-E302 WeakPolarHBondContact O-CB 3.44Å; A298-E302 PolarHBondContact O-N 2.92Å; E302-G304 PolarHBondContact O-N 2.93Å; E302-L324 VanDerWaalsContact C-CD1 3.49Å; E302-L324 HydrophobicContact CB-CD1 3.96Å; E302-L324 HydrophobicContact CG-CD1 3.76Å; E302-L324 WeakPolarHBondContact O-CD1 3.48Å; E302-W326 PolarHBondContact OE2-NE1 3.25Å; E302-R374 IonicContact OE1-CZ 3.04Å; E302-R374 IonicContact OE1-NH1 2.94Å; E302-R374 PolarHBondContact OE1-NH1 2.8Å
303	A	96.9	Very high	94.8	Very high	12 Å²	12	30.8 Å²	30.8	10%	0.099	17%	0.173	C	C	.	.	H	α-helix	trans	-71.3	-14.3	175.3	0	0	0	0	0	113.6	A299 M300 E301 L317 R320 A321 L324	A299-A303 VanDerWaalsContact O-CB 3.27Å; A299-A303 WeakPolarHBondContact O-CB 3.41Å; A299-A303 PolarHBondContact O-N 3.38Å; A299-A303 VanDerWaalsContact O-N 3.08Å; M300-A303 PolarHBondContact O-N 3.04Å; E301-A303 VanDerWaalsContact C-N 3.25Å; E301-A303 PolarHBondContact O-N 3.33Å; A303-L317 HydrophobicContact CB-CD1 3.83Å; A303-R320 HydrophobicContact CB-CB 4.13Å; A303-R320 PolarHBondContact O-NH1 2.63Å; A303-A321 HydrophobicContact CB-CB 4.2Å; A303-L324 HydrophobicContact CB-CD1 4.02Å
304	G	96.2	Very high	94.7	Very high	46 Å²	46	31.9 Å²	31.9	47%	0.474	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.3	11.5	-176.2	0	0	0	0	0	114.9	M300 E301 E302	M300-G304 PolarHBondContact O-N 3.48Å; E301-G304 PolarHBondContact O-N 2.94Å; E302-G304 PolarHBondContact O-N 2.93Å
305	G	95.5	Very high	94.6	Very high	17 Å²	17	32.4 Å²	32.4	18%	0.175	18%	0.181	C	C	.	.	S	Bend	trans	72.4	-154.3	176.7	0	0	0	0	0	114.1	M300 R320	M300-G305 WeakPolarHBondContact O-CA 3.49Å; M300-G305 PolarHBondContact O-N 2.58Å; G305-R320 VanDerWaalsContact O-CZ 3.3Å; G305-R320 PolarHBondContact O-NH1 2.92Å; G305-R320 PolarHBondContact O-NH2 3.03Å
306	W	95.9	Very high	94.5	Very high	6 Å²	6	32.4 Å²	32.4	2%	0.023	18%	0.181	C	C	.	.			trans	-77.6	129.3	-179.8	-64.5	112.1	0	0	0	112	L201 K202 I218 F288 M300 E313 L317	L201-W306 HydrophobicContact CB-CD2 4.17Å; L201-W306 HydrophobicContact CB-CG 3.97Å; L201-W306 HydrophobicContact CD1-CD2 4.15Å; L201-W306 HydrophobicContact CD1-CE3 4.38Å; L201-W306 HydrophobicContact CD1-CH2 4.27Å; L201-W306 HydrophobicContact CD1-CZ2 4Å; L201-W306 HydrophobicContact CD1-CZ3 4.43Å; K202-W306 HydrophobicContact CB-CB 4.06Å; I218-W306 HydrophobicContact CD1-CH2 4.39Å; I218-W306 HydrophobicContact CD1-CZ2 3.96Å; I218-W306 HydrophobicContact CG1-CZ2 4.17Å; F288-W306 HydrophobicContact CD1-CH2 4.27Å; F288-W306 AromaticContact CE1-CH2 3.91Å; F288-W306 HydrophobicContact CE1-CH2 3.91Å; M300-W306 HydrophobicContact CE-CD2 4.32Å; M300-W306 VanDerWaalsContact CE-CE2 3.46Å; M300-W306 HydrophobicContact CE-CZ2 3.6Å; M300-W306 VanDerWaalsContact CE-NE1 3.31Å; W306-E313 HydrophobicContact CE3-CB 4.3Å; W306-E313 HydrophobicContact CE3-CG 3.96Å; W306-E313 HydrophobicContact CZ3-CG 4.1Å; W306-L317 HydrophobicContact CD2-CD2 4.28Å; W306-L317 HydrophobicContact CE3-CB 4.44Å; W306-L317 HydrophobicContact CE3-CD2 3.94Å; W306-L317 HydrophobicContact CH2-CD2 3.56Å; W306-L317 HydrophobicContact CZ2-CD2 3.95Å; W306-L317 HydrophobicContact CZ3-CB 4.2Å; W306-L317 HydrophobicContact CZ3-CD2 3.57Å
307	H	93.6	Very high	94.5	Very high	60 Å²	60	30.8 Å²	30.8	28%	0.278	18%	0.175	S	C	.	.			trans	-116.4	134.9	173.9	-71.5	178	0	0	0	110	R309 E313 D316	H307-R309 HydrophobicContact CB-CG 4.28Å; H307-E313 VanDerWaalsContact O-CB 3.31Å; H307-E313 WeakPolarHBondContact O-CB 3.42Å; H307-D316 WeakPolarHBondContact CB-OD2 3.38Å; H307-D316 IonicContact ND1-OD2 3.46Å
308	D	89.6	Confident	94.5	Very high	81 Å²	81	30.4 Å²	30.4	43%	0.433	17%	0.173	S	C	.	.			trans	-98.6	16.7	179.5	62.4	-17.9	0	0	0	112.9	A198 T310	A198-D308 HydrophobicContact CB-CB 3.94Å; D308-T310 PolarHBondContact O-N 3Å; D308-T310 VanDerWaalsContact O-N 3.14Å
309	R	89	Confident	94.5	Very high	57 Å²	57	27.9 Å²	27.9	22%	0.215	15%	0.152	C	C	.	.	S	Bend	trans	-66.8	-14.3	-176.4	64.8	174.1	177.4	177.2	-2.7	114.5	H307 D316 K364 M365 E368	H307-R309 HydrophobicContact CB-CG 4.28Å; R309-D316 VanDerWaalsContact CG-OD2 3.29Å; R309-D316 WeakPolarHBondContact CG-OD2 3.01Å; R309-D316 IonicContact CZ-OD1 3.47Å; R309-D316 IonicContact CZ-OD2 2.72Å; R309-D316 IonicContact NE-OD1 2.63Å; R309-D316 PolarHBondContact NE-OD1 3.39Å; R309-D316 IonicContact NE-OD2 3.65Å; R309-D316 PolarHBondContact NE-OD2 2.88Å; R309-D316 IonicContact NH2-OD1 2.72Å; R309-D316 PolarHBondContact NH2-OD1 3.4Å; R309-D316 IonicContact NH2-OD2 3.41Å; R309-K364 PolarHBondContact O-NZ 2.85Å; R309-M365 VanDerWaalsContact NH2-CG 3.32Å; R309-M365 PolarHBondContact NH2-SD 3.47Å; R309-M365 VanDerWaalsContact NH2-SD 3.36Å; R309-E368 IonicContact CZ-OE1 3.82Å; R309-E368 IonicContact NH1-OE1 2.87Å; R309-E368 PolarHBondContact NH1-OE1 2.86Å; R309-E368 IonicContact NH1-OE2 3.99Å; R309-E368 IonicContact NH2-OE2 2.88Å
310	T	87	Confident	94.5	Very high	6 Å²	6	28.8 Å²	28.8	4%	0.037	16%	0.156	C	C	.	.	S	Bend	trans	-146.5	169.3	175.4	68.3	0	0	0	0	109.7	D308 V312 N360 L361 K364	D308-T310 PolarHBondContact O-N 3Å; D308-T310 VanDerWaalsContact O-N 3.14Å; T310-V312 PolarHBondContact O-N 3.47Å; T310-V312 WeakPolarHBondContact OG1-CG2 3.4Å; T310-V312 PolarHBondContact OG1-N 2.94Å; T310-N360 HydrophobicContact CG2-CB 4.46Å; T310-L361 HydrophobicContact CG2-CB 4.2Å; T310-L361 HydrophobicContact CG2-CD1 4.11Å; T310-K364 HydrophobicContact CG2-CD 4.1Å
311	T	85.9	Confident	94.5	Very high	22 Å²	22	28.7 Å²	28.7	14%	0.135	16%	0.155	C	C	.	.	S	Bend	trans	-79	11.5	175	65.2	0	0	0	0	114.1	V473	T311-V473 WeakPolarHBondContact CG2-O 3.25Å
312	V	91.9	Very high	94.5	Very high	6 Å²	6	22.6 Å²	22.6	4%	0.036	13%	0.127	C	C	.	.			trans	-130.6	57.9	179.7	-72	0	0	0	0	109.3	T310 D314 M315 D316 P358 L361	T310-V312 PolarHBondContact O-N 3.47Å; T310-V312 WeakPolarHBondContact OG1-CG2 3.4Å; T310-V312 PolarHBondContact OG1-N 2.94Å; V312-D314 VanDerWaalsContact CA-OD1 3.3Å; V312-D314 WeakPolarHBondContact CA-OD1 3.22Å; V312-D314 PolarHBondContact O-N 3.48Å; V312-M315 HydrophobicContact CB-CB 4.06Å; V312-M315 HydrophobicContact CG2-CB 4.32Å; V312-M315 PolarHBondContact O-N 3.25Å; V312-D316 PolarHBondContact O-N 2.88Å; V312-P358 HydrophobicContact CG1-CG 4.18Å; V312-L361 HydrophobicContact CG2-CB 4.13Å; V312-L361 HydrophobicContact CG2-CD2 4.14Å
313	E	93.3	Very high	94.5	Very high	17 Å²	17	18.6 Å²	18.6	8%	0.079	11%	0.108	C	C	.	.	H	α-helix	trans	-55.9	-30.5	178.8	71.6	-75.9	179.9	0	0	112.8	K197 A198 W306 H307 L317	K197-E313 WeakPolarHBondContact CD-OE1 3.38Å; A198-E313 HydrophobicContact CB-CB 3.5Å; A198-E313 HydrophobicContact CB-CG 3.6Å; W306-E313 HydrophobicContact CE3-CB 4.3Å; W306-E313 HydrophobicContact CE3-CG 3.96Å; W306-E313 HydrophobicContact CZ3-CG 4.1Å; H307-E313 VanDerWaalsContact O-CB 3.31Å; H307-E313 WeakPolarHBondContact O-CB 3.42Å; E313-L317 WeakPolarHBondContact O-CB 3.29Å; E313-L317 PolarHBondContact O-N 3.1Å
314	D	95.9	Very high	94.5	Very high	23 Å²	23	19.9 Å²	19.9	12%	0.123	11%	0.113	C	C	.	.	H	α-helix	trans	-64.6	-52.5	176.3	54.8	-5.9	0	0	0	112.2	F288 N289 G290 V312 D316 L317 A318	F288-D314 HydrophobicContact CB-CB 4.41Å; F288-D314 HydrophobicContact CD1-CB 3.61Å; F288-D314 HydrophobicContact CE1-CB 4.26Å; F288-D314 HydrophobicContact CG-CB 4.33Å; N289-D314 VanDerWaalsContact C-OD2 3.26Å; G290-D314 VanDerWaalsContact CA-CB 3.46Å; G290-D314 WeakPolarHBondContact CA-OD2 3.17Å; G290-D314 PolarHBondContact N-OD2 3Å; G290-D314 VanDerWaalsContact N-OD2 3.17Å; V312-D314 VanDerWaalsContact CA-OD1 3.3Å; V312-D314 WeakPolarHBondContact CA-OD1 3.22Å; V312-D314 PolarHBondContact O-N 3.48Å; D314-D316 VanDerWaalsContact C-N 3.34Å; D314-L317 PolarHBondContact O-N 2.86Å; D314-A318 WeakPolarHBondContact O-CB 3.33Å; D314-A318 PolarHBondContact O-N 3.37Å
315	M	96.5	Very high	94.5	Very high	11 Å²	11	20.1 Å²	20.1	5%	0.054	12%	0.115	C	C	.	.	H	α-helix	trans	-65.7	-38.5	176.9	-172.1	179.5	-67.1	0	0	111.1	S287 V312 A318 V319 P358 L361 F387 F388	S287-M315 WeakPolarHBondContact OG-CB 3.06Å; S287-M315 VanDerWaalsContact OG-CE 3.3Å; S287-M315 WeakPolarHBondContact OG-CE 3.27Å; S287-M315 WeakPolarHBondContact OG-CG 3.49Å; V312-M315 HydrophobicContact CB-CB 4.06Å; V312-M315 HydrophobicContact CG2-CB 4.32Å; V312-M315 PolarHBondContact O-N 3.25Å; M315-A318 PolarHBondContact O-N 3.34Å; M315-V319 HydrophobicContact CG-CG2 4.36Å; M315-V319 VanDerWaalsContact O-CG2 3.23Å; M315-V319 WeakPolarHBondContact O-CG2 3.41Å; M315-V319 PolarHBondContact O-N 2.97Å; M315-P358 HydrophobicContact CE-CB 3.95Å; M315-P358 HydrophobicContact CE-CG 3.61Å; M315-P358 HydrophobicContact SD-CB 3.73Å; M315-P358 HydrophobicContact SD-CG 3.93Å; M315-L361 HydrophobicContact CB-CD2 3.88Å; M315-L361 HydrophobicContact CG-CD2 3.62Å; M315-L361 HydrophobicContact SD-CD2 3.94Å; M315-F387 HydrophobicContact CE-CZ 4.12Å; M315-F387 HydrophobicContact CG-CE1 4.24Å; M315-F387 HydrophobicContact CG-CZ 4.06Å; M315-F387 HydrophobicContact SD-CE1 3.91Å; M315-F387 HydrophobicContact SD-CZ 3.95Å; M315-F388 HydrophobicContact SD-CE1 3.9Å; M315-F388 HydrophobicContact SD-CZ 4.42Å
316	D	96.6	Very high	94.6	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-59.8	-50.9	176.4	-175.4	1.7	0	0	0	111.3	H307 R309 V312 D314 A318 V319 R320 L361	H307-D316 WeakPolarHBondContact CB-OD2 3.38Å; H307-D316 IonicContact ND1-OD2 3.46Å; R309-D316 VanDerWaalsContact CG-OD2 3.29Å; R309-D316 WeakPolarHBondContact CG-OD2 3.01Å; R309-D316 IonicContact CZ-OD1 3.47Å; R309-D316 IonicContact CZ-OD2 2.72Å; R309-D316 IonicContact NE-OD1 2.63Å; R309-D316 PolarHBondContact NE-OD1 3.39Å; R309-D316 IonicContact NE-OD2 3.65Å; R309-D316 PolarHBondContact NE-OD2 2.88Å; R309-D316 IonicContact NH2-OD1 2.72Å; R309-D316 PolarHBondContact NH2-OD1 3.4Å; R309-D316 IonicContact NH2-OD2 3.41Å; V312-D316 PolarHBondContact O-N 2.88Å; D314-D316 VanDerWaalsContact C-N 3.34Å; D316-A318 VanDerWaalsContact C-N 3.32Å; D316-A318 PolarHBondContact O-N 3.31Å; D316-V319 PolarHBondContact O-N 2.95Å; D316-R320 WeakPolarHBondContact O-CG 3.38Å; D316-R320 PolarHBondContact O-N 3.3Å; D316-R320 PolarHBondContact O-NE 3.48Å; D316-R320 IonicContact OD1-CZ 2.99Å; D316-R320 IonicContact OD1-NE 3.47Å; D316-R320 PolarHBondContact OD1-NE 2.64Å; D316-R320 IonicContact OD1-NH2 3.76Å; D316-R320 IonicContact OD2-NE 2.88Å; D316-L361 HydrophobicContact CB-CD1 3.73Å; D316-L361 HydrophobicContact CB-CD2 4.17Å
317	L	97.4	Very high	94.7	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-58.7	-44.6	175.3	178.7	61.9	0	0	0	111.9	W295 M300 A303 W306 E313 D314 V319 R320 A321	W295-L317 HydrophobicContact CD2-CD2 4.38Å; W295-L317 HydrophobicContact CH2-CD2 4.33Å; W295-L317 HydrophobicContact CH2-CG 4.02Å; W295-L317 HydrophobicContact CZ2-CD2 3.97Å; W295-L317 HydrophobicContact CZ2-CG 4.06Å; W295-L317 HydrophobicContact CZ3-CG 4.45Å; M300-L317 HydrophobicContact CE-CD2 3.86Å; M300-L317 HydrophobicContact CG-CD2 4.13Å; M300-L317 HydrophobicContact SD-CD2 4.39Å; A303-L317 HydrophobicContact CB-CD1 3.83Å; W306-L317 HydrophobicContact CD2-CD2 4.28Å; W306-L317 HydrophobicContact CE3-CB 4.44Å; W306-L317 HydrophobicContact CE3-CD2 3.94Å; W306-L317 HydrophobicContact CH2-CD2 3.56Å; W306-L317 HydrophobicContact CZ2-CD2 3.95Å; W306-L317 HydrophobicContact CZ3-CB 4.2Å; W306-L317 HydrophobicContact CZ3-CD2 3.57Å; E313-L317 WeakPolarHBondContact O-CB 3.29Å; E313-L317 PolarHBondContact O-N 3.1Å; D314-L317 PolarHBondContact O-N 2.86Å; L317-V319 PolarHBondContact O-N 2.82Å; L317-R320 VanDerWaalsContact CA-NH2 3.26Å; L317-R320 PolarHBondContact O-N 3.48Å; L317-A321 WeakPolarHBondContact O-CB 3.22Å; L317-A321 PolarHBondContact O-N 3.28Å
318	A	97.7	Very high	94.9	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-56.6	-51.3	176.3	0	0	0	0	0	111.8	F285 F288 D314 M315 D316 R320 A321 G322 F328	F285-A318 VanDerWaalsContact CE2-O 3.31Å; F285-A318 WeakPolarHBondContact CE2-O 3.38Å; F288-A318 HydrophobicContact CB-CB 4.01Å; D314-A318 WeakPolarHBondContact O-CB 3.33Å; D314-A318 PolarHBondContact O-N 3.37Å; M315-A318 PolarHBondContact O-N 3.34Å; D316-A318 VanDerWaalsContact C-N 3.32Å; D316-A318 PolarHBondContact O-N 3.31Å; A318-R320 PolarHBondContact O-N 3.34Å; A318-A321 PolarHBondContact O-N 3.42Å; A318-G322 PolarHBondContact O-N 3.35Å; A318-F328 HydrophobicContact CB-CE2 3.84Å; A318-F328 HydrophobicContact CB-CZ 4.34Å; A318-F328 WeakPolarHBondContact O-CE2 3.23Å; A318-F328 WeakPolarHBondContact O-CZ 3.43Å
319	V	97.3	Very high	95.3	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-62.2	-45	179.8	-179.9	0	0	0	0	110.8	F285 M315 D316 L317 G322 L323 M365 I369 F387 F388	F285-V319 HydrophobicContact CZ-CB 4.43Å; F285-V319 HydrophobicContact CZ-CG2 3.83Å; M315-V319 HydrophobicContact CG-CG2 4.36Å; M315-V319 VanDerWaalsContact O-CG2 3.23Å; M315-V319 WeakPolarHBondContact O-CG2 3.41Å; M315-V319 PolarHBondContact O-N 2.97Å; D316-V319 PolarHBondContact O-N 2.95Å; L317-V319 PolarHBondContact O-N 2.82Å; V319-G322 PolarHBondContact O-N 2.81Å; V319-L323 HydrophobicContact CG1-CD1 4.08Å; V319-L323 HydrophobicContact CG1-CG 4.28Å; V319-L323 WeakPolarHBondContact O-CB 3.27Å; V319-L323 VanDerWaalsContact O-CG 3.25Å; V319-L323 WeakPolarHBondContact O-CG 3.07Å; V319-L323 PolarHBondContact O-N 3.05Å; V319-M365 HydrophobicContact CB-CE 3.75Å; V319-M365 HydrophobicContact CB-SD 3.79Å; V319-M365 HydrophobicContact CG1-CE 3.32Å; V319-M365 HydrophobicContact CG1-SD 3.69Å; V319-M365 HydrophobicContact CG2-SD 4.42Å; V319-I369 HydrophobicContact CG1-CD1 4.21Å; V319-I369 HydrophobicContact CG1-CG1 4.26Å; V319-F387 HydrophobicContact CG2-CE1 4.43Å; V319-F388 HydrophobicContact CG1-CE2 4.4Å; V319-F388 HydrophobicContact CG2-CE2 3.95Å; V319-F388 HydrophobicContact CG2-CZ 3.78Å
320	R	97.3	Very high	95.6	Very high	19 Å²	19	15 Å²	15	7%	0.072	8%	0.084	C	C	.	.	H	α-helix	trans	-60.8	-49.8	178.4	-74.9	-178.2	-73.4	113.1	-4.7	112.3	A303 G305 D316 L317 A318 G322 L323 L324 M365	A303-R320 HydrophobicContact CB-CB 4.13Å; A303-R320 PolarHBondContact O-NH1 2.63Å; G305-R320 VanDerWaalsContact O-CZ 3.3Å; G305-R320 PolarHBondContact O-NH1 2.92Å; G305-R320 PolarHBondContact O-NH2 3.03Å; D316-R320 WeakPolarHBondContact O-CG 3.38Å; D316-R320 PolarHBondContact O-N 3.3Å; D316-R320 PolarHBondContact O-NE 3.48Å; D316-R320 IonicContact OD1-CZ 2.99Å; D316-R320 IonicContact OD1-NE 3.47Å; D316-R320 PolarHBondContact OD1-NE 2.64Å; D316-R320 IonicContact OD1-NH2 3.76Å; D316-R320 IonicContact OD2-NE 2.88Å; L317-R320 VanDerWaalsContact CA-NH2 3.26Å; L317-R320 PolarHBondContact O-N 3.48Å; A318-R320 PolarHBondContact O-N 3.34Å; R320-G322 VanDerWaalsContact C-N 3.33Å; R320-G322 PolarHBondContact O-N 2.88Å; R320-L323 WeakPolarHBondContact O-CB 3.35Å; R320-L323 PolarHBondContact O-N 2.99Å; R320-L323 VanDerWaalsContact O-N 3.16Å; R320-L324 WeakPolarHBondContact O-CG 3.41Å; R320-L324 PolarHBondContact O-N 2.89Å; R320-M365 HydrophobicContact CG-CE 3.74Å
321	A	97.7	Very high	96.1	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-61.5	-41.8	176.6	0	0	0	0	0	111.7	W295 A303 L317 A318 L323 L324 W326 F328	W295-A321 HydrophobicContact CH2-CB 4.32Å; W295-A321 HydrophobicContact CZ3-CB 3.95Å; A303-A321 HydrophobicContact CB-CB 4.2Å; L317-A321 WeakPolarHBondContact O-CB 3.22Å; L317-A321 PolarHBondContact O-N 3.28Å; A318-A321 PolarHBondContact O-N 3.42Å; A321-L323 VanDerWaalsContact C-N 3.28Å; A321-L323 PolarHBondContact O-N 3.4Å; A321-L324 WeakPolarHBondContact O-CB 3.04Å; A321-L324 PolarHBondContact O-N 3.05Å; A321-W326 WeakPolarHBondContact O-CB 3.31Å; A321-W326 PolarHBondContact O-N 2.84Å; A321-F328 HydrophobicContact CB-CE1 4.14Å; A321-F328 HydrophobicContact CB-CZ 3.98Å
322	G	96.8	Very high	96.4	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-62.8	-31.6	175.5	0	0	0	0	0	113.8	A318 V319 R320 L324 G325 V375	A318-G322 PolarHBondContact O-N 3.35Å; V319-G322 PolarHBondContact O-N 2.81Å; R320-G322 VanDerWaalsContact C-N 3.33Å; R320-G322 PolarHBondContact O-N 2.88Å; G322-L324 VanDerWaalsContact C-N 3.28Å; G322-G325 PolarHBondContact O-N 2.83Å; G322-V375 WeakPolarHBondContact O-CG1 3.34Å
323	L	97	Very high	96.5	Very high	8 Å²	8	20.3 Å²	20.3	4%	0.042	11%	0.111	C	C	.	.	H	α-helix	trans	-75.3	-13.3	174.5	-75	179.2	0	0	0	113.7	V319 R320 A321 M365 I369 N372 V375 L383	V319-L323 HydrophobicContact CG1-CD1 4.08Å; V319-L323 HydrophobicContact CG1-CG 4.28Å; V319-L323 WeakPolarHBondContact O-CB 3.27Å; V319-L323 VanDerWaalsContact O-CG 3.25Å; V319-L323 WeakPolarHBondContact O-CG 3.07Å; V319-L323 PolarHBondContact O-N 3.05Å; R320-L323 WeakPolarHBondContact O-CB 3.35Å; R320-L323 PolarHBondContact O-N 2.99Å; R320-L323 VanDerWaalsContact O-N 3.16Å; A321-L323 VanDerWaalsContact C-N 3.28Å; A321-L323 PolarHBondContact O-N 3.4Å; L323-M365 HydrophobicContact CD1-CE 4.16Å; L323-I369 HydrophobicContact CD1-CG1 3.87Å; L323-I369 HydrophobicContact CD2-CB 4.4Å; L323-I369 HydrophobicContact CD2-CG1 4.21Å; L323-I369 HydrophobicContact CD2-CG2 4.25Å; L323-N372 HydrophobicContact CD2-CB 4.15Å; L323-N372 PolarHBondContact O-ND2 2.9Å; L323-N372 PolarHBondContact O-OD1 3.2Å; L323-V375 HydrophobicContact CD2-CG2 3.94Å; L323-L383 HydrophobicContact CD2-CD1 3.8Å; L323-L383 HydrophobicContact CG-CD1 4.4Å
324	L	96.5	Very high	96.6	Very high	39 Å²	39	20.4 Å²	20.4	20%	0.204	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-8.5	171	-61.4	169	0	0	0	112.3	E302 A303 R320 A321 G322	E302-L324 VanDerWaalsContact C-CD1 3.49Å; E302-L324 HydrophobicContact CB-CD1 3.96Å; E302-L324 HydrophobicContact CG-CD1 3.76Å; E302-L324 WeakPolarHBondContact O-CD1 3.48Å; A303-L324 HydrophobicContact CB-CD1 4.02Å; R320-L324 WeakPolarHBondContact O-CG 3.41Å; R320-L324 PolarHBondContact O-N 2.89Å; A321-L324 WeakPolarHBondContact O-CB 3.04Å; A321-L324 PolarHBondContact O-N 3.05Å; G322-L324 VanDerWaalsContact C-N 3.28Å
325	G	95.7	Very high	96.6	Very high	50 Å²	50	21.3 Å²	21.3	52%	0.515	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	102.2	-0.9	178.1	0	0	0	0	0	114.6	G322	G322-G325 PolarHBondContact O-N 2.83Å
326	W	97.5	Very high	96.6	Very high	42 Å²	42	20.8 Å²	20.8	16%	0.159	12%	0.116	C	C	.	.			trans	-61.9	145.4	176.7	-70.1	104.3	0	0	0	112.7	P241 A244 A299 E302 A321 F328	P241-W326 WeakPolarHBondContact O-CZ3 3.34Å; A244-W326 HydrophobicContact CB-CB 3.54Å; A244-W326 HydrophobicContact CB-CD2 3.83Å; A244-W326 HydrophobicContact CB-CE3 3.7Å; A244-W326 HydrophobicContact CB-CG 3.76Å; A299-W326 HydrophobicContact CB-CD2 3.66Å; A299-W326 HydrophobicContact CB-CE3 4.05Å; A299-W326 HydrophobicContact CB-CG 4.03Å; A299-W326 HydrophobicContact CB-CH2 4.32Å; A299-W326 HydrophobicContact CB-CZ2 3.95Å; A299-W326 HydrophobicContact CB-CZ3 4.33Å; E302-W326 PolarHBondContact OE2-NE1 3.25Å; A321-W326 WeakPolarHBondContact O-CB 3.31Å; A321-W326 PolarHBondContact O-N 2.84Å; W326-F328 HydrophobicContact CB-CE1 4.4Å
327	K	97.5	Very high	96.6	Very high	72 Å²	72	23.5 Å²	23.5	31%	0.313	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	143.1	177.5	-62.6	-170.7	-167.1	158.7	0	111.6	Y105 E242 V243 A244 A284	Y105-K327 HydrophobicContact CE1-CD 4.09Å; E242-K327 HydrophobicContact CG-CB 4.48Å; E242-K327 HydrophobicContact CG-CD 3.57Å; E242-K327 HydrophobicContact CG-CG 3.98Å; E242-K327 PolarHBondContact O-N 3.04Å; E242-K327 IonicContact OE1-NZ 3.99Å; E242-K327 PolarHBondContact OE1-NZ 3.41Å; V243-K327 WeakPolarHBondContact CA-O 3.4Å; V243-K327 HydrophobicContact CG2-CB 4.41Å; A244-K327 PolarHBondContact N-O 3.18Å; A284-K327 HydrophobicContact CB-CB 3.88Å; A284-K327 HydrophobicContact CB-CD 4.19Å; A284-K327 HydrophobicContact CB-CG 3.8Å
328	F	98.1	Very high	96.4	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	141.1	172.9	-52.5	-20.8	0	0	0	110.9	A244 L245 A284 F285 F286 W295 A318 A321 W326	A244-F328 HydrophobicContact CB-CD1 4.29Å; A244-F328 HydrophobicContact CB-CE1 4.03Å; L245-F328 HydrophobicContact CB-CB 4.22Å; L245-F328 HydrophobicContact CB-CD1 3.56Å; L245-F328 HydrophobicContact CB-CE1 4.12Å; L245-F328 HydrophobicContact CB-CG 3.93Å; L245-F328 HydrophobicContact CD2-CB 4.46Å; L245-F328 HydrophobicContact CD2-CD1 4.44Å; L245-F328 HydrophobicContact CD2-CD2 4.15Å; L245-F328 HydrophobicContact CD2-CG 4.12Å; L245-F328 WeakPolarHBondContact O-CA 3.21Å; A284-F328 PolarHBondContact O-N 3.04Å; F285-F328 AromaticContact CD2-CD2 3.95Å; F285-F328 HydrophobicContact CD2-CD2 3.95Å; F285-F328 AromaticContact CD2-CE2 3.52Å; F285-F328 HydrophobicContact CD2-CE2 3.52Å; F285-F328 HydrophobicContact CD2-CZ 4.28Å; F285-F328 HydrophobicContact CE2-CD2 4.49Å; F285-F328 AromaticContact CE2-CE2 3.72Å; F285-F328 HydrophobicContact CE2-CE2 3.72Å; F285-F328 HydrophobicContact CE2-CZ 4.43Å; F285-F328 HydrophobicContact CG-CD2 4.37Å; F285-F328 HydrophobicContact CG-CE2 4.34Å; F286-F328 HydrophobicContact CD1-CB 3.98Å; F286-F328 HydrophobicContact CE1-CB 3.4Å; F286-F328 VanDerWaalsContact CE1-CB 3.4Å; F286-F328 HydrophobicContact CZ-CB 3.73Å; F286-F328 WeakPolarHBondContact O-CD2 3.47Å; W295-F328 HydrophobicContact CH2-CE1 4.13Å; W295-F328 AromaticContact CH2-CZ 3.98Å; W295-F328 HydrophobicContact CH2-CZ 3.98Å; W295-F328 HydrophobicContact CZ3-CE1 4.05Å; W295-F328 HydrophobicContact CZ3-CZ 4.31Å; A318-F328 HydrophobicContact CB-CE2 3.84Å; A318-F328 HydrophobicContact CB-CZ 4.34Å; A318-F328 WeakPolarHBondContact O-CE2 3.23Å; A318-F328 WeakPolarHBondContact O-CZ 3.43Å; A321-F328 HydrophobicContact CB-CE1 4.14Å; A321-F328 HydrophobicContact CB-CZ 3.98Å; W326-F328 HydrophobicContact CB-CE1 4.4Å
329	V	97.7	Very high	96	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	124.9	179.9	-178.3	0	0	0	0	109.1	P101 Y105 V243 L245 V246 Q247 L331	P101-V329 HydrophobicContact CB-CG1 3.93Å; P101-V329 HydrophobicContact CG-CG1 4.49Å; Y105-V329 HydrophobicContact CD1-CG2 4.33Å; Y105-V329 HydrophobicContact CD2-CG1 4.32Å; Y105-V329 HydrophobicContact CD2-CG2 3.82Å; Y105-V329 HydrophobicContact CE1-CG2 4.12Å; Y105-V329 HydrophobicContact CE2-CG1 4.47Å; Y105-V329 HydrophobicContact CE2-CG2 3.59Å; Y105-V329 HydrophobicContact CG-CG2 4.18Å; V243-V329 HydrophobicContact CG1-CG2 3.84Å; V243-V329 HydrophobicContact CG2-CG2 3.94Å; L245-V329 PolarHBondContact O-N 2.98Å; V246-V329 CarbonylContact C-O 3.48Å; V246-V329 VanDerWaalsContact CA-O 3.32Å; V246-V329 WeakPolarHBondContact CA-O 3.17Å; V246-V329 HydrophobicContact CG2-CB 4.44Å; Q247-V329 PolarHBondContact N-O 3.36Å; V329-L331 HydrophobicContact CG1-CD2 3.85Å
330	F	97.3	Very high	95.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	128.4	172	-178	-112.1	0	0	0	109.7	P101 Q247 R249 F272 Q276 E277 S280 F286 N332	P101-F330 WeakPolarHBondContact CG-O 3.48Å; Q247-F330 HydrophobicContact CB-CD2 4.06Å; Q247-F330 HydrophobicContact CG-CD2 3.8Å; Q247-F330 HydrophobicContact CG-CE2 4.07Å; Q247-F330 WeakPolarHBondContact O-CD2 3.37Å; R249-F330 HydrophobicContact CB-CE2 4.39Å; R249-F330 HydrophobicContact CB-CZ 3.9Å; R249-F330 HydrophobicContact CG-CZ 4.43Å; F272-F330 HydrophobicContact CB-CE1 4.38Å; F272-F330 HydrophobicContact CB-CZ 3.86Å; F272-F330 HydrophobicContact CD1-CZ 4.43Å; F272-F330 HydrophobicContact CG-CZ 4.39Å; F272-F330 WeakPolarHBondContact O-CE1 3.28Å; Q276-F330 HydrophobicContact CB-CB 4.47Å; Q276-F330 HydrophobicContact CB-CD1 3.99Å; Q276-F330 HydrophobicContact CB-CD2 3.94Å; Q276-F330 HydrophobicContact CB-CE1 4.2Å; Q276-F330 HydrophobicContact CB-CE2 4.17Å; Q276-F330 HydrophobicContact CB-CG 3.86Å; Q276-F330 HydrophobicContact CB-CZ 4.3Å; E277-F330 WeakPolarHBondContact OE2-CD1 3.33Å; S280-F330 PolarHBondContact OG-N 3.4Å; F286-F330 HydrophobicContact CD1-CB 4.3Å; F286-F330 HydrophobicContact CE1-CB 3.81Å; F286-F330 HydrophobicContact CZ-CB 4.06Å; F330-N332 HydrophobicContact CD1-CB 4.26Å; F330-N332 HydrophobicContact CE1-CB 3.75Å
331	L	96	Very high	95.4	Very high	6 Å²	6	23.3 Å²	23.3	3%	0.031	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	95.6	176.8	-57.8	-176.4	0	0	0	108.9	P101 F236 V246 Q247 V329 D333 L334	P101-L331 HydrophobicContact CB-CD2 3.62Å; P101-L331 HydrophobicContact CG-CD2 3.87Å; F236-L331 HydrophobicContact CD2-CD1 3.78Å; F236-L331 HydrophobicContact CD2-CD2 3.98Å; F236-L331 HydrophobicContact CD2-CG 4.46Å; F236-L331 HydrophobicContact CE1-CD2 4.41Å; F236-L331 HydrophobicContact CE2-CD1 3.66Å; F236-L331 HydrophobicContact CE2-CD2 3.41Å; F236-L331 VanDerWaalsContact CE2-CD2 3.41Å; F236-L331 HydrophobicContact CE2-CG 4.18Å; F236-L331 HydrophobicContact CZ-CD2 3.65Å; V246-L331 HydrophobicContact CG1-CD1 3.41Å; V246-L331 VanDerWaalsContact CG1-CD1 3.41Å; V246-L331 HydrophobicContact CG1-CG 3.75Å; Q247-L331 PolarHBondContact O-N 2.98Å; V329-L331 HydrophobicContact CG1-CD2 3.85Å; L331-D333 VanDerWaalsContact C-N 3.28Å; L331-D333 PolarHBondContact O-N 2.93Å; L331-L334 HydrophobicContact CB-CB 3.89Å; L331-L334 HydrophobicContact CD1-CB 4.33Å; L331-L334 HydrophobicContact CD1-CD2 3.97Å; L331-L334 PolarHBondContact O-N 3.43Å
332	N	93.3	Very high	95	Very high	41 Å²	41	23.6 Å²	23.6	22%	0.219	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	-30	179.6	178	71.3	0	0	0	113	R249 F330	R249-N332 WeakPolarHBondContact CD-OD1 3.42Å; R249-N332 PolarHBondContact NH1-OD1 2.82Å; F330-N332 HydrophobicContact CD1-CB 4.26Å; F330-N332 HydrophobicContact CE1-CB 3.75Å
333	D	93	Very high	94.7	Very high	98 Å²	98	27.4 Å²	27.4	52%	0.524	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	-22.7	-177.2	-67.9	-10.4	0	0	0	112.3	K100 L331	K100-D333 IonicContact NZ-OD2 3.86Å; K100-D333 PolarHBondContact NZ-OD2 2.75Å; L331-D333 VanDerWaalsContact C-N 3.28Å; L331-D333 PolarHBondContact O-N 2.93Å
334	L	95.7	Very high	94.3	Very high	20 Å²	20	27.5 Å²	27.5	11%	0.105	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	117.1	173.7	-177	61.3	0	0	0	109.7	Y229 H232 A248 R249 L331	Y229-L334 HydrophobicContact CD2-CD1 4.12Å; Y229-L334 HydrophobicContact CD2-CD2 3.89Å; Y229-L334 HydrophobicContact CD2-CG 4.07Å; Y229-L334 HydrophobicContact CE2-CD2 3.85Å; Y229-L334 HydrophobicContact CE2-CG 4.23Å; H232-L334 HydrophobicContact CB-CD1 4Å; H232-L334 HydrophobicContact CB-CD2 4.2Å; A248-L334 HydrophobicContact CB-CB 4.28Å; A248-L334 HydrophobicContact CB-CD2 4Å; A248-L334 HydrophobicContact CB-CG 3.88Å; A248-L334 WeakPolarHBondContact CB-O 3.49Å; R249-L334 PolarHBondContact N-O 3.21Å; L331-L334 HydrophobicContact CB-CB 3.89Å; L331-L334 HydrophobicContact CD1-CB 4.33Å; L331-L334 HydrophobicContact CD1-CD2 3.97Å; L331-L334 PolarHBondContact O-N 3.43Å
335	T	96.3	Very high	93.9	Very high	41 Å²	41	31.8 Å²	31.8	25%	0.252	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	143.6	-175.3	71.6	0	0	0	0	113.1	R249	R249-T335 HydrophobicContact CB-CG2 4.35Å; R249-T335 CarbonylContact O-C 3.47Å; R249-T335 VanDerWaalsContact O-CA 3.26Å; R249-T335 WeakPolarHBondContact O-CA 3.14Å
336	V	96.8	Very high	93.5	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	129.2	174.3	-176.9	0	0	0	0	109.5	F219 F223 P225 Y229 A248 R249 R251 A292	F219-V336 HydrophobicContact CD1-CG1 4.34Å; F219-V336 HydrophobicContact CE1-CG1 4.16Å; F219-V336 HydrophobicContact CE1-CG2 4.25Å; F223-V336 HydrophobicContact CB-CG1 4.08Å; F223-V336 HydrophobicContact CD1-CB 4.26Å; F223-V336 HydrophobicContact CD1-CG1 3.64Å; F223-V336 HydrophobicContact CG-CG1 4.34Å; P225-V336 HydrophobicContact CB-CG1 4.35Å; Y229-V336 HydrophobicContact CD2-CG2 3.64Å; Y229-V336 HydrophobicContact CE2-CG2 3.41Å; Y229-V336 VanDerWaalsContact CE2-CG2 3.41Å; A248-V336 HydrophobicContact CB-CG2 4.03Å; R249-V336 PolarHBondContact O-N 3Å; R251-V336 PolarHBondContact N-O 3.35Å; A292-V336 HydrophobicContact CB-CB 3.94Å; A292-V336 HydrophobicContact CB-CG1 4.32Å; A292-V336 HydrophobicContact CB-CG2 3.76Å
337	K	95.6	Very high	93.2	Very high	57 Å²	57	28.3 Å²	28.3	25%	0.248	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	137	-178.6	-66.6	168	174.9	150	0	110.4	F223 Q224 E226 R251 M253	F223-K337 VanDerWaalsContact CA-O 3.32Å; F223-K337 WeakPolarHBondContact CA-O 3.41Å; Q224-K337 HydrophobicContact CB-CB 4.12Å; Q224-K337 PolarHBondContact N-O 3.28Å; Q224-K337 PolarHBondContact O-N 3.04Å; E226-K337 WeakPolarHBondContact OE1-CE 3.18Å; E226-K337 IonicContact OE1-NZ 2.62Å; E226-K337 PolarHBondContact OE1-NZ 2.8Å; E226-K337 IonicContact OE2-NZ 3.28Å; R251-K337 CarbonylContact O-C 3.6Å; R251-K337 VanDerWaalsContact O-CA 3.3Å; R251-K337 WeakPolarHBondContact O-CA 3.49Å; M253-K337 HydrophobicContact CE-CD 4.46Å; M253-K337 HydrophobicContact CG-CB 3.88Å; M253-K337 HydrophobicContact CG-CG 4.16Å; M253-K337 HydrophobicContact SD-CB 4.1Å; M253-K337 HydrophobicContact SD-CD 3.91Å; M253-K337 HydrophobicContact SD-CG 3.69Å
338	S	93	Very high	92.9	Very high	2 Å²	2	27 Å²	27	1%	0.014	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	174.1	177.8	67.2	0	0	0	0	112.8	F223 R251 F252 M253	F223-S338 VanDerWaalsContact CZ-CB 3.48Å; R251-S338 PolarHBondContact O-N 3.23Å; F252-S338 WeakPolarHBondContact CA-O 3.3Å; F252-S338 WeakPolarHBondContact CD1-OG 3.49Å; M253-S338 PolarHBondContact N-O 3.24Å
339	E	90.1	Very high	92.4	Very high	5 Å²	5	30.7 Å²	30.7	2%	0.023	15%	0.147	C	C	.	.			trans	-115.8	138.6	179	-65.3	-169.6	174.2	0	0	113.2	K481 L482 G483 D484 A485	E339-K481 HydrophobicContact CB-CD 4.43Å; E339-K481 PolarHBondContact O-NZ 2.89Å; E339-L482 PolarHBondContact OE2-N 3.45Å; E339-G483 VanDerWaalsContact OE1-CA 3.29Å; E339-G483 WeakPolarHBondContact OE1-CA 3.3Å; E339-G483 PolarHBondContact OE2-N 3.45Å; E339-G483 VanDerWaalsContact OE2-N 3.12Å; E339-D484 PolarHBondContact OE1-N 2.9Å; E339-D484 PolarHBondContact OE2-N 2.86Å; E339-A485 PolarHBondContact OE1-N 3.49Å
340	L	91.7	Very high	92.1	Very high	6 Å²	6	31.4 Å²	31.4	3%	0.031	15%	0.151	C	C	.	.			trans	-85.8	146.9	170.1	-66.2	170.6	0	0	0	111	F252 N254 T261 Q264 E265 L268 S342	F252-L340 HydrophobicContact CB-CD1 3.8Å; F252-L340 HydrophobicContact CB-CG 3.89Å; F252-L340 HydrophobicContact CD1-CD1 4.15Å; F252-L340 HydrophobicContact CD1-CD2 3.45Å; F252-L340 VanDerWaalsContact CD1-CD2 3.45Å; F252-L340 HydrophobicContact CD1-CG 3.54Å; F252-L340 HydrophobicContact CD2-CD1 4.18Å; F252-L340 HydrophobicContact CD2-CD2 4.4Å; F252-L340 HydrophobicContact CD2-CG 4.44Å; F252-L340 HydrophobicContact CE1-CD2 3.55Å; F252-L340 HydrophobicContact CE1-CG 4.18Å; F252-L340 HydrophobicContact CE2-CD2 4.49Å; F252-L340 HydrophobicContact CG-CD1 3.76Å; F252-L340 HydrophobicContact CG-CD2 3.9Å; F252-L340 HydrophobicContact CG-CG 3.68Å; F252-L340 HydrophobicContact CZ-CD2 4.09Å; N254-L340 PolarHBondContact ND2-O 3.05Å; N254-L340 PolarHBondContact OD1-N 3.02Å; T261-L340 HydrophobicContact CG2-CB 4.17Å; T261-L340 WeakPolarHBondContact O-CD1 3.46Å; Q264-L340 HydrophobicContact CB-CD1 4.07Å; Q264-L340 HydrophobicContact CB-CD2 4.37Å; E265-L340 HydrophobicContact CB-CD1 4.27Å; L268-L340 HydrophobicContact CD1-CD2 3.47Å; L268-L340 VanDerWaalsContact CD1-CD2 3.47Å; L340-S342 PolarHBondContact O-N 2.99Å; L340-S342 VanDerWaalsContact O-N 3.17Å
341	P	90.5	Very high	91.8	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.013	16%	0.156	C	C	.	.			trans	-64.1	117.5	169.9	27.6	-34.1	0	0	0	110.4	M260 Q264 A346 F347 T479	M260-P341 VanDerWaalsContact CE-O 3.3Å; M260-P341 WeakPolarHBondContact CE-O 3.32Å; Q264-P341 PolarHBondContact NE2-O 3.19Å; P341-A346 HydrophobicContact CB-CB 4.13Å; P341-F347 HydrophobicContact CB-CB 4.21Å; P341-F347 HydrophobicContact CG-CB 3.92Å; P341-F347 HydrophobicContact CG-CD2 3.76Å; P341-F347 HydrophobicContact CG-CG 4.29Å; P341-T479 HydrophobicContact CB-CG2 3.93Å
342	S	89	Confident	91.5	Very high	6 Å²	6	34 Å²	34	4%	0.042	16%	0.163	C	C	.	.			trans	-89.1	-22.3	179.5	46.5	0	0	0	0	113.6	K257 M260 L340 L482 G551 T552	K257-S342 PolarHBondContact NZ-OG 3.2Å; M260-S342 VanDerWaalsContact CE-C 3.46Å; M260-S342 WeakPolarHBondContact CE-O 3.36Å; L340-S342 PolarHBondContact O-N 2.99Å; L340-S342 VanDerWaalsContact O-N 3.17Å; S342-L482 WeakPolarHBondContact OG-CD1 3.23Å; S342-G551 CarbonylContact O-C 3.52Å; S342-G551 WeakPolarHBondContact O-CA 3.47Å; S342-T552 PolarHBondContact O-N 2.82Å; S342-T552 PolarHBondContact O-OG1 3.31Å
343	K	89.8	Confident	91.3	Very high	80 Å²	80	33.9 Å²	33.9	35%	0.348	16%	0.159	S	C	.	.	B	Isolated β-bridge	trans	-84.5	129.1	171.9	-62.5	-179.9	-174.2	171.7	0	110.5	K345 A346 F347 E480	K343-K345 VanDerWaalsContact C-N 3.32Å; K343-K345 PolarHBondContact O-N 2.74Å; K343-A346 HydrophobicContact CB-CB 4.21Å; K343-A346 WeakPolarHBondContact O-CB 3.27Å; K343-A346 PolarHBondContact O-N 3.03Å; K343-A346 VanDerWaalsContact O-N 3.1Å; K343-F347 PolarHBondContact O-N 3.4Å; K343-E480 IonicContact NZ-OE2 3.61Å; K343-E480 PolarHBondContact NZ-OE2 3.47Å
344	F	90	Very high	91.2	Very high	10 Å²	10	33 Å²	33	4%	0.044	15%	0.148	C	C	.	.	H	α-helix	trans	-61.5	-35.6	-178.4	178.8	-118.5	0	0	0	113.8	M260 A346 F347 R348 F451 M455 V550	M260-F344 HydrophobicContact SD-CB 3.99Å; M260-F344 HydrophobicContact SD-CD2 3.75Å; M260-F344 HydrophobicContact SD-CG 4.38Å; F344-A346 VanDerWaalsContact C-N 3.34Å; F344-A346 PolarHBondContact O-N 3.45Å; F344-F347 PolarHBondContact O-N 3.47Å; F344-R348 HydrophobicContact CD1-CG 4.43Å; F344-R348 HydrophobicContact CD2-CG 4.31Å; F344-R348 HydrophobicContact CE1-CG 4.1Å; F344-R348 HydrophobicContact CE2-CG 3.97Å; F344-R348 HydrophobicContact CZ-CG 3.86Å; F344-R348 WeakPolarHBondContact O-CG 3.25Å; F344-R348 PolarHBondContact O-N 3.29Å; F344-F451 HydrophobicContact CD2-CE2 4.3Å; F344-F451 HydrophobicContact CD2-CZ 4.41Å; F344-F451 AromaticContact CE2-CE2 3.82Å; F344-F451 HydrophobicContact CE2-CE2 3.82Å; F344-F451 HydrophobicContact CE2-CZ 4.16Å; F344-M455 HydrophobicContact CE2-SD 3.73Å; F344-M455 HydrophobicContact CZ-SD 4.39Å; F344-V550 HydrophobicContact CB-CB 4.33Å; F344-V550 WeakPolarHBondContact CB-O 3.26Å; F344-V550 HydrophobicContact CD2-CB 4.17Å; F344-V550 HydrophobicContact CD2-CG1 4.01Å; F344-V550 HydrophobicContact CE2-CG1 4.47Å; F344-V550 HydrophobicContact CG-CB 4.16Å; F344-V550 HydrophobicContact CG-CG1 4.43Å
345	K	87.8	Confident	91.1	Very high	129 Å²	129	32.1 Å²	32.1	56%	0.561	14%	0.144	S	C	*	.	H	α-helix	trans	-58.3	-45.5	173.8	-175.4	175.4	-178.7	179	0	111.8	K343 R348 F349	K343-K345 VanDerWaalsContact C-N 3.32Å; K343-K345 PolarHBondContact O-N 2.74Å; K345-R348 PolarHBondContact O-N 3.04Å; K345-F349 HydrophobicContact CD-CE2 4.29Å; K345-F349 HydrophobicContact CG-CD2 4.09Å; K345-F349 HydrophobicContact CG-CE2 3.61Å; K345-F349 WeakPolarHBondContact O-CD2 3.34Å; K345-F349 PolarHBondContact O-N 3.04Å
346	A	87.8	Confident	90.9	Very high	12 Å²	12	30.2 Å²	30.2	10%	0.099	13%	0.133	C	C	.	.	H	α-helix	trans	-65.7	-43.6	178.7	0	0	0	0	0	111.3	P341 K343 F344 R348 F349 Q350 T479	P341-A346 HydrophobicContact CB-CB 4.13Å; K343-A346 HydrophobicContact CB-CB 4.21Å; K343-A346 WeakPolarHBondContact O-CB 3.27Å; K343-A346 PolarHBondContact O-N 3.03Å; K343-A346 VanDerWaalsContact O-N 3.1Å; F344-A346 VanDerWaalsContact C-N 3.34Å; F344-A346 PolarHBondContact O-N 3.45Å; A346-R348 PolarHBondContact O-N 2.87Å; A346-F349 PolarHBondContact O-N 3.43Å; A346-Q350 PolarHBondContact O-N 3.41Å; A346-T479 HydrophobicContact CB-CG2 3.9Å
347	F	91.3	Very high	90.7	Very high	7 Å²	7	30.2 Å²	30.2	3%	0.031	13%	0.133	C	C	.	.	H	α-helix	trans	-61.1	-42.3	175.8	-178.6	-124.1	0	0	0	112.6	M260 Q264 P341 K343 F344 F349 Q350 Q351 F451 M455	M260-F347 HydrophobicContact CE-CB 4.22Å; M260-F347 HydrophobicContact SD-CB 4.33Å; M260-F347 HydrophobicContact SD-CD1 4.04Å; M260-F347 HydrophobicContact SD-CG 4.46Å; Q264-F347 VanDerWaalsContact CD-CD2 3.46Å; Q264-F347 VanDerWaalsContact CD-CE2 3.49Å; Q264-F347 HydrophobicContact CG-CD2 4.03Å; Q264-F347 HydrophobicContact CG-CE1 4.11Å; Q264-F347 HydrophobicContact CG-CE2 3.52Å; Q264-F347 HydrophobicContact CG-CZ 3.57Å; P341-F347 HydrophobicContact CB-CB 4.21Å; P341-F347 HydrophobicContact CG-CB 3.92Å; P341-F347 HydrophobicContact CG-CD2 3.76Å; P341-F347 HydrophobicContact CG-CG 4.29Å; K343-F347 PolarHBondContact O-N 3.4Å; F344-F347 PolarHBondContact O-N 3.47Å; F347-F349 VanDerWaalsContact C-N 3.35Å; F347-F349 PolarHBondContact O-N 3.06Å; F347-Q350 PolarHBondContact O-N 3.37Å; F347-Q351 HydrophobicContact CD1-CG 4.4Å; F347-Q351 HydrophobicContact CD2-CG 3.95Å; F347-Q351 HydrophobicContact CE1-CG 3.99Å; F347-Q351 HydrophobicContact CE2-CG 3.49Å; F347-Q351 VanDerWaalsContact CE2-CG 3.49Å; F347-Q351 HydrophobicContact CG-CG 4.38Å; F347-Q351 HydrophobicContact CZ-CG 3.51Å; F347-Q351 WeakPolarHBondContact O-CG 3.43Å; F347-Q351 PolarHBondContact O-N 3.25Å; F347-F451 HydrophobicContact CD1-CE1 4.39Å; F347-F451 AromaticContact CD1-CZ 3.95Å; F347-F451 HydrophobicContact CD1-CZ 3.95Å; F347-F451 AromaticContact CE1-CE1 3.64Å; F347-F451 HydrophobicContact CE1-CE1 3.64Å; F347-F451 AromaticContact CE1-CZ 3.6Å; F347-F451 HydrophobicContact CE1-CZ 3.6Å; F347-F451 HydrophobicContact CZ-CE1 4.42Å; F347-M455 HydrophobicContact CD1-CE 4.4Å; F347-M455 HydrophobicContact CD1-SD 4.01Å; F347-M455 HydrophobicContact CE1-CE 4.15Å; F347-M455 HydrophobicContact CE1-CG 3.81Å; F347-M455 HydrophobicContact CE1-SD 3.66Å
348	R	90.7	Very high	90.6	Very high	45 Å²	45	27.6 Å²	27.6	17%	0.17	12%	0.121	C	C	.	.	H	α-helix	trans	-60.1	-41.6	175.4	-75.9	-171.1	-64.2	168.5	3.2	113.1	F344 K345 A346 H352 M455 H458 N506 E509	F344-R348 HydrophobicContact CD1-CG 4.43Å; F344-R348 HydrophobicContact CD2-CG 4.31Å; F344-R348 HydrophobicContact CE1-CG 4.1Å; F344-R348 HydrophobicContact CE2-CG 3.97Å; F344-R348 HydrophobicContact CZ-CG 3.86Å; F344-R348 WeakPolarHBondContact O-CG 3.25Å; F344-R348 PolarHBondContact O-N 3.29Å; K345-R348 PolarHBondContact O-N 3.04Å; A346-R348 PolarHBondContact O-N 2.87Å; R348-H352 VanDerWaalsContact O-CB 3.28Å; R348-H352 WeakPolarHBondContact O-CB 3.41Å; R348-H352 PolarHBondContact O-N 2.63Å; R348-M455 HydrophobicContact CG-CE 4.17Å; R348-H458 WeakPolarHBondContact CD-NE2 3.4Å; R348-N506 PolarHBondContact NH1-OD1 2.89Å; R348-N506 PolarHBondContact NH2-OD1 3.04Å; R348-E509 IonicContact CZ-OE1 2.76Å; R348-E509 IonicContact NH1-OE1 2.81Å; R348-E509 PolarHBondContact NH1-OE1 3.06Å
349	F	87.7	Confident	90.7	Very high	78 Å²	78	27.5 Å²	27.5	34%	0.342	12%	0.121	S	C	.	.	H	α-helix	trans	-65	-43.6	175.8	-74.3	-60.8	0	0	0	111.6	K345 A346 F347 H352 R353 V477	K345-F349 HydrophobicContact CD-CE2 4.29Å; K345-F349 HydrophobicContact CG-CD2 4.09Å; K345-F349 HydrophobicContact CG-CE2 3.61Å; K345-F349 WeakPolarHBondContact O-CD2 3.34Å; K345-F349 PolarHBondContact O-N 3.04Å; A346-F349 PolarHBondContact O-N 3.43Å; F347-F349 VanDerWaalsContact C-N 3.35Å; F347-F349 PolarHBondContact O-N 3.06Å; F349-H352 PolarHBondContact O-N 3.38Å; F349-R353 WeakPolarHBondContact O-CG 3.16Å; F349-R353 PolarHBondContact O-N 3.03Å; F349-V477 HydrophobicContact CD1-CB 4.43Å; F349-V477 HydrophobicContact CD2-CG1 4.32Å; F349-V477 HydrophobicContact CE2-CG1 4.48Å; F349-V477 HydrophobicContact CG-CG1 4.35Å
350	Q	90.3	Very high	90.9	Very high	15 Å²	15	27.4 Å²	27.4	7%	0.07	12%	0.12	C	C	.	.	H	α-helix	trans	-58.6	-51.2	175.6	-175.6	178.1	65.6	0	0	111.5	A346 F347 H352 R353 W354	A346-Q350 PolarHBondContact O-N 3.41Å; F347-Q350 PolarHBondContact O-N 3.37Å; Q350-H352 VanDerWaalsContact C-N 3.3Å; Q350-H352 PolarHBondContact O-N 3.26Å; Q350-R353 PolarHBondContact O-N 3.24Å; Q350-W354 HydrophobicContact CG-CD2 3.82Å; Q350-W354 HydrophobicContact CG-CE3 4.06Å; Q350-W354 HydrophobicContact CG-CG 4.47Å; Q350-W354 HydrophobicContact CG-CH2 3.99Å; Q350-W354 HydrophobicContact CG-CZ2 3.75Å; Q350-W354 HydrophobicContact CG-CZ3 4.14Å; Q350-W354 PolarHBondContact O-N 3.4Å
351	Q	92.1	Very high	91.1	Very high	23 Å²	23	27.1 Å²	27.1	11%	0.107	12%	0.119	C	C	.	.	H	α-helix	trans	-61.5	-37.5	178.1	-68.4	-60.9	108.3	0	0	112.4	F347 W354 S355 M455	F347-Q351 HydrophobicContact CD1-CG 4.4Å; F347-Q351 HydrophobicContact CD2-CG 3.95Å; F347-Q351 HydrophobicContact CE1-CG 3.99Å; F347-Q351 HydrophobicContact CE2-CG 3.49Å; F347-Q351 VanDerWaalsContact CE2-CG 3.49Å; F347-Q351 HydrophobicContact CG-CG 4.38Å; F347-Q351 HydrophobicContact CZ-CG 3.51Å; F347-Q351 WeakPolarHBondContact O-CG 3.43Å; F347-Q351 PolarHBondContact O-N 3.25Å; Q351-W354 PolarHBondContact O-N 3.17Å; Q351-S355 PolarHBondContact O-N 2.85Å; Q351-S355 VanDerWaalsContact O-N 3.09Å; Q351-S355 PolarHBondContact O-OG 3.05Å; Q351-M455 HydrophobicContact CB-CE 4.13Å; Q351-M455 HydrophobicContact CG-CE 4.03Å
352	H	89.3	Confident	91.3	Very high	38 Å²	38	28 Å²	28	18%	0.176	12%	0.123	C	C	.	.	H	α-helix	trans	-60.8	-47.6	175.4	177.5	62.2	0	0	0	111.5	R348 F349 Q350 S355 C356 G462	R348-H352 VanDerWaalsContact O-CB 3.28Å; R348-H352 WeakPolarHBondContact O-CB 3.41Å; R348-H352 PolarHBondContact O-N 2.63Å; F349-H352 PolarHBondContact O-N 3.38Å; Q350-H352 VanDerWaalsContact C-N 3.3Å; Q350-H352 PolarHBondContact O-N 3.26Å; H352-S355 PolarHBondContact O-N 2.85Å; H352-C356 WeakPolarHBondContact O-CB 3.44Å; H352-C356 PolarHBondContact O-N 3.48Å; H352-G462 WeakPolarHBondContact ND1-CA 3.32Å
353	R	88.7	Confident	91.6	Very high	37 Å²	37	34 Å²	34	14%	0.14	14%	0.144	C	C	.	.	H	α-helix	trans	-62.8	-44.3	177	-64.6	-176.4	-28	-171	16	111.7	F349 Q350 S355 C356 G357 V477	F349-R353 WeakPolarHBondContact O-CG 3.16Å; F349-R353 PolarHBondContact O-N 3.03Å; Q350-R353 PolarHBondContact O-N 3.24Å; R353-S355 PolarHBondContact O-N 3.28Å; R353-C356 PolarHBondContact O-N 2.85Å; R353-G357 PolarHBondContact O-N 2.87Å; R353-V477 PolarHBondContact NH1-O 3.03Å
354	W	91	Very high	91.7	Very high	79 Å²	79	33.3 Å²	33.3	30%	0.299	14%	0.141	S	C	.	.	H	α-helix	trans	-68.4	-14.6	-179.4	-70.7	-7.8	0	0	0	114.4	W250 L268 Q350 Q351 P358	W250-W354 HydrophobicContact CH2-CZ2 4.48Å; W250-W354 HydrophobicContact CZ3-CH2 4.21Å; W250-W354 HydrophobicContact CZ3-CZ2 4.4Å; L268-W354 HydrophobicContact CD2-CH2 4.46Å; L268-W354 HydrophobicContact CD2-CZ3 4.18Å; Q350-W354 HydrophobicContact CG-CD2 3.82Å; Q350-W354 HydrophobicContact CG-CE3 4.06Å; Q350-W354 HydrophobicContact CG-CG 4.47Å; Q350-W354 HydrophobicContact CG-CH2 3.99Å; Q350-W354 HydrophobicContact CG-CZ2 3.75Å; Q350-W354 HydrophobicContact CG-CZ3 4.14Å; Q350-W354 PolarHBondContact O-N 3.4Å; Q351-W354 PolarHBondContact O-N 3.17Å; W354-P358 VanDerWaalsContact O-CD 3.22Å; W354-P358 WeakPolarHBondContact O-CD 3.5Å; W354-P358 VanDerWaalsContact O-CG 3.23Å; W354-P358 WeakPolarHBondContact O-CG 3.46Å
355	S	93	Very high	91.9	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.014	14%	0.139	C	C	.	.	H	α-helix	trans	-103	-34.5	170	-61.5	0	0	0	0	113.2	Q351 H352 R353 A359 H396 R459	Q351-S355 PolarHBondContact O-N 2.85Å; Q351-S355 VanDerWaalsContact O-N 3.09Å; Q351-S355 PolarHBondContact O-OG 3.05Å; H352-S355 PolarHBondContact O-N 2.85Å; R353-S355 PolarHBondContact O-N 3.28Å; S355-A359 VanDerWaalsContact O-CB 3.31Å; S355-A359 WeakPolarHBondContact O-CB 3.1Å; S355-H396 PolarHBondContact OG-CD2 3.4Å; S355-H396 VanDerWaalsContact OG-CD2 3.29Å; S355-H396 PolarHBondContact OG-NE2 3.31Å; S355-R459 VanDerWaalsContact CB-O 3.3Å; S355-R459 WeakPolarHBondContact CB-O 3.03Å; S355-R459 WeakPolarHBondContact OG-CA 3.25Å; S355-R459 VanDerWaalsContact OG-CB 3.26Å; S355-R459 WeakPolarHBondContact OG-CB 3.5Å; S355-R459 VanDerWaalsContact OG-CG 3.26Å; S355-R459 WeakPolarHBondContact OG-CG 3.17Å
356	C	93.2	Very high	92.3	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.014	13%	0.125	C	C	.	.	H	α-helix	trans	-71	-48.1	179	-174.6	0	0	0	0	112.1	H352 R353 A359 N360 G462 G466	H352-C356 WeakPolarHBondContact O-CB 3.44Å; H352-C356 PolarHBondContact O-N 3.48Å; R353-C356 PolarHBondContact O-N 2.85Å; C356-A359 PolarHBondContact O-N 2.87Å; C356-N360 WeakPolarHBondContact O-CB 3.23Å; C356-N360 PolarHBondContact O-N 3.29Å; C356-G462 VanDerWaalsContact CA-O 3.23Å; C356-G462 WeakPolarHBondContact CA-O 3.42Å; C356-G462 WeakPolarHBondContact CB-O 3.42Å; C356-G466 WeakPolarHBondContact O-CA 3.26Å; C356-G466 VanDerWaalsContact SG-CA 3.51Å; C356-G466 PolarHBondContact SG-N 3.48Å
357	G	92.3	Very high	92.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-57.2	-56.2	-178.4	0	0	0	0	0	112.6	R353 A359 N360 L361	R353-G357 PolarHBondContact O-N 2.87Å; G357-A359 VanDerWaalsContact C-N 3.29Å; G357-A359 PolarHBondContact O-N 3.34Å; G357-N360 PolarHBondContact O-N 3.43Å; G357-L361 WeakPolarHBondContact O-CB 3.33Å; G357-L361 PolarHBondContact O-N 3.12Å
358	P	94.4	Very high	92.9	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.013	16%	0.163	C	C	.	.	H	α-helix	trans	-62.5	-34	-179.6	-28.8	40.1	0	0	0	113.6	V312 M315 W354 L361 F362 K392	V312-P358 HydrophobicContact CG1-CG 4.18Å; M315-P358 HydrophobicContact CE-CB 3.95Å; M315-P358 HydrophobicContact CE-CG 3.61Å; M315-P358 HydrophobicContact SD-CB 3.73Å; M315-P358 HydrophobicContact SD-CG 3.93Å; W354-P358 VanDerWaalsContact O-CD 3.22Å; W354-P358 WeakPolarHBondContact O-CD 3.5Å; W354-P358 VanDerWaalsContact O-CG 3.23Å; W354-P358 WeakPolarHBondContact O-CG 3.46Å; P358-L361 PolarHBondContact O-N 3.05Å; P358-F362 WeakPolarHBondContact O-CB 3.41Å; P358-F362 PolarHBondContact O-N 2.98Å; P358-K392 HydrophobicContact CB-CB 4Å; P358-K392 HydrophobicContact CB-CD 4.46Å; P358-K392 HydrophobicContact CB-CG 4.04Å
359	A	94.8	Very high	93.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-70.9	-38.3	178.7	0	0	0	0	0	112	S355 C356 G357 R363 I393 T463 I467	S355-A359 VanDerWaalsContact O-CB 3.31Å; S355-A359 WeakPolarHBondContact O-CB 3.1Å; C356-A359 PolarHBondContact O-N 2.87Å; G357-A359 VanDerWaalsContact C-N 3.29Å; G357-A359 PolarHBondContact O-N 3.34Å; A359-R363 PolarHBondContact O-N 3.42Å; A359-I393 HydrophobicContact CB-CG1 4.39Å; A359-T463 HydrophobicContact CB-CG2 3.98Å; A359-I467 HydrophobicContact CB-CD1 4.47Å; A359-I467 HydrophobicContact CB-CG1 3.88Å
360	N	94.3	Very high	93.5	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.011	16%	0.161	C	C	.	.	H	α-helix	trans	-65.7	-44.8	170.3	-175.4	17.6	0	0	0	111.5	T310 C356 G357 F362 R363 K364 G466 E469 V473	T310-N360 HydrophobicContact CG2-CB 4.46Å; C356-N360 WeakPolarHBondContact O-CB 3.23Å; C356-N360 PolarHBondContact O-N 3.29Å; G357-N360 PolarHBondContact O-N 3.43Å; N360-F362 VanDerWaalsContact C-N 3.31Å; N360-F362 PolarHBondContact O-N 3Å; N360-R363 WeakPolarHBondContact O-CB 3.42Å; N360-R363 PolarHBondContact O-N 3.27Å; N360-K364 PolarHBondContact O-N 3.39Å; N360-K364 VanDerWaalsContact O-N 3.14Å; N360-K364 VanDerWaalsContact OD1-CE 3.22Å; N360-K364 WeakPolarHBondContact OD1-CE 3.36Å; N360-G466 WeakPolarHBondContact CA-O 3.13Å; N360-E469 PolarHBondContact OD1-OE1 2.81Å; N360-V473 HydrophobicContact CB-CG1 3.97Å; N360-V473 WeakPolarHBondContact ND2-CG1 3.42Å
361	L	95.1	Very high	93.8	Very high	0 Å²	0	44 Å²	44	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-59.6	-42.9	177.6	-174.8	65.6	0	0	0	111.4	T310 V312 M315 D316 G357 P358 R363 K364 M365 F388	T310-L361 HydrophobicContact CG2-CB 4.2Å; T310-L361 HydrophobicContact CG2-CD1 4.11Å; V312-L361 HydrophobicContact CG2-CB 4.13Å; V312-L361 HydrophobicContact CG2-CD2 4.14Å; M315-L361 HydrophobicContact CB-CD2 3.88Å; M315-L361 HydrophobicContact CG-CD2 3.62Å; M315-L361 HydrophobicContact SD-CD2 3.94Å; D316-L361 HydrophobicContact CB-CD1 3.73Å; D316-L361 HydrophobicContact CB-CD2 4.17Å; G357-L361 WeakPolarHBondContact O-CB 3.33Å; G357-L361 PolarHBondContact O-N 3.12Å; P358-L361 PolarHBondContact O-N 3.05Å; L361-R363 PolarHBondContact O-N 2.82Å; L361-K364 PolarHBondContact O-N 3.39Å; L361-K364 VanDerWaalsContact O-N 3.16Å; L361-M365 HydrophobicContact CD1-CG 3.74Å; L361-M365 HydrophobicContact CD1-SD 3.51Å; L361-M365 VanDerWaalsContact CD1-SD 3.51Å; L361-M365 HydrophobicContact CD2-SD 4.23Å; L361-M365 HydrophobicContact CG-CG 4.12Å; L361-M365 HydrophobicContact CG-SD 3.81Å; L361-M365 WeakPolarHBondContact O-CB 3.36Å; L361-M365 WeakPolarHBondContact O-CG 3.38Å; L361-M365 PolarHBondContact O-N 2.9Å; L361-F388 HydrophobicContact CB-CE1 4.43Å; L361-F388 HydrophobicContact CD2-CE1 4.21Å; L361-F388 HydrophobicContact CD2-CZ 4.02Å; L361-F388 HydrophobicContact CG-CE1 4.35Å; L361-F388 HydrophobicContact CG-CZ 4.19Å
362	F	95.9	Very high	94	Very high	22 Å²	22	44.3 Å²	44.3	10%	0.096	19%	0.193	C	C	.	.	H	α-helix	trans	-57.5	-47.8	176.4	-178.7	-130.3	0	0	0	112.1	P358 N360 K364 M365 I366 V384 F388 F389 I393	P358-F362 WeakPolarHBondContact O-CB 3.41Å; P358-F362 PolarHBondContact O-N 2.98Å; N360-F362 VanDerWaalsContact C-N 3.31Å; N360-F362 PolarHBondContact O-N 3Å; F362-K364 VanDerWaalsContact C-N 3.26Å; F362-K364 PolarHBondContact O-N 2.75Å; F362-M365 PolarHBondContact O-N 2.86Å; F362-I366 HydrophobicContact CD2-CB 4.31Å; F362-I366 HydrophobicContact CE1-CD1 4.14Å; F362-I366 HydrophobicContact CE2-CB 4.1Å; F362-I366 HydrophobicContact CE2-CD1 3.84Å; F362-I366 HydrophobicContact CE2-CG1 3.86Å; F362-I366 HydrophobicContact CZ-CD1 3.54Å; F362-I366 HydrophobicContact CZ-CG1 4.11Å; F362-I366 VanDerWaalsContact O-CB 3.31Å; F362-I366 WeakPolarHBondContact O-CB 3.44Å; F362-I366 PolarHBondContact O-N 2.69Å; F362-V384 HydrophobicContact CE2-CG1 4.12Å; F362-V384 HydrophobicContact CZ-CG1 4.14Å; F362-F388 HydrophobicContact CB-CB 4.09Å; F362-F388 HydrophobicContact CB-CD1 3.58Å; F362-F388 HydrophobicContact CB-CE1 4.08Å; F362-F388 HydrophobicContact CB-CG 3.88Å; F362-F388 HydrophobicContact CD1-CB 4.36Å; F362-F388 HydrophobicContact CD2-CB 3.21Å; F362-F388 HydrophobicContact CD2-CD1 4.03Å; F362-F388 AromaticContact CD2-CD2 3.66Å; F362-F388 HydrophobicContact CD2-CD2 3.66Å; F362-F388 HydrophobicContact CD2-CE2 4.49Å; F362-F388 AromaticContact CD2-CG 3.38Å; F362-F388 HydrophobicContact CD2-CG 3.38Å; F362-F388 HydrophobicContact CE2-CB 3.56Å; F362-F388 HydrophobicContact CE2-CD2 4.28Å; F362-F388 HydrophobicContact CE2-CG 4.12Å; F362-F388 HydrophobicContact CG-CB 3.64Å; F362-F388 HydrophobicContact CG-CD1 4.1Å; F362-F388 AromaticContact CG-CG 3.87Å; F362-F388 HydrophobicContact CG-CG 3.87Å; F362-F388 HydrophobicContact CZ-CB 4.23Å; F362-F389 HydrophobicContact CZ-CB 4.3Å; F362-I393 HydrophobicContact CB-CD1 4.42Å; F362-I393 HydrophobicContact CD1-CD1 3.3Å; F362-I393 HydrophobicContact CE1-CD1 3.82Å; F362-I393 HydrophobicContact CG-CD1 4.18Å
363	R	93.6	Very high	94.2	Very high	131 Å²	131	52.2 Å²	52.2	49%	0.494	23%	0.227	S	C	.	.	H	α-helix	trans	-55.3	-42.2	176.8	176.3	-174.7	173.7	82.9	5.5	111.8	A359 N360 L361 I467 E469	A359-R363 PolarHBondContact O-N 3.42Å; N360-R363 WeakPolarHBondContact O-CB 3.42Å; N360-R363 PolarHBondContact O-N 3.27Å; L361-R363 PolarHBondContact O-N 2.82Å; R363-I467 VanDerWaalsContact CD-O 3.28Å; R363-I467 WeakPolarHBondContact CD-O 3.48Å; R363-I467 PolarHBondContact NH1-O 3.38Å; R363-E469 IonicContact CZ-OE2 3.9Å; R363-E469 IonicContact NE-OE2 3.81Å; R363-E469 PolarHBondContact NE-OE2 2.88Å; R363-E469 IonicContact NH2-OE2 2.7Å
364	K	93.6	Very high	94.4	Very high	66 Å²	66	57.9 Å²	57.9	29%	0.287	25%	0.248	S	C	.	.	H	α-helix	trans	-74.7	-38.7	-179.1	-66.6	-178.9	179.2	-173.8	0	112.9	R309 T310 N360 L361 F362 E469	R309-K364 PolarHBondContact O-NZ 2.85Å; T310-K364 HydrophobicContact CG2-CD 4.1Å; N360-K364 PolarHBondContact O-N 3.39Å; N360-K364 VanDerWaalsContact O-N 3.14Å; N360-K364 VanDerWaalsContact OD1-CE 3.22Å; N360-K364 WeakPolarHBondContact OD1-CE 3.36Å; L361-K364 PolarHBondContact O-N 3.39Å; L361-K364 VanDerWaalsContact O-N 3.16Å; F362-K364 VanDerWaalsContact C-N 3.26Å; F362-K364 PolarHBondContact O-N 2.75Å; K364-E469 WeakPolarHBondContact CE-OE1 3.43Å; K364-E469 IonicContact NZ-OE1 3.52Å
365	M	94.2	Very high	94.5	Very high	0 Å²	0	55 Å²	55	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-94.7	-13.5	-172.1	-66.2	-163.4	78.7	0	0	114.9	R309 V319 R320 L323 L361 F362 M367 E368 I369	R309-M365 VanDerWaalsContact NH2-CG 3.32Å; R309-M365 PolarHBondContact NH2-SD 3.47Å; R309-M365 VanDerWaalsContact NH2-SD 3.36Å; V319-M365 HydrophobicContact CB-CE 3.75Å; V319-M365 HydrophobicContact CB-SD 3.79Å; V319-M365 HydrophobicContact CG1-CE 3.32Å; V319-M365 HydrophobicContact CG1-SD 3.69Å; V319-M365 HydrophobicContact CG2-SD 4.42Å; R320-M365 HydrophobicContact CG-CE 3.74Å; L323-M365 HydrophobicContact CD1-CE 4.16Å; L361-M365 HydrophobicContact CD1-CG 3.74Å; L361-M365 HydrophobicContact CD1-SD 3.51Å; L361-M365 VanDerWaalsContact CD1-SD 3.51Å; L361-M365 HydrophobicContact CD2-SD 4.23Å; L361-M365 HydrophobicContact CG-CG 4.12Å; L361-M365 HydrophobicContact CG-SD 3.81Å; L361-M365 WeakPolarHBondContact O-CB 3.36Å; L361-M365 WeakPolarHBondContact O-CG 3.38Å; L361-M365 PolarHBondContact O-N 2.9Å; F362-M365 PolarHBondContact O-N 2.86Å; M365-M367 VanDerWaalsContact C-N 3.27Å; M365-M367 PolarHBondContact O-N 2.83Å; M365-E368 WeakPolarHBondContact O-CA 3.15Å; M365-E368 WeakPolarHBondContact O-CB 3.13Å; M365-E368 PolarHBondContact O-N 3.38Å; M365-I369 HydrophobicContact CB-CD1 4.08Å; M365-I369 HydrophobicContact CB-CG1 4.43Å; M365-I369 VanDerWaalsContact O-CG1 3.31Å; M365-I369 WeakPolarHBondContact O-CG1 3.24Å; M365-I369 PolarHBondContact O-N 3.16Å
366	I	95.6	Very high	94.6	Very high	51 Å²	51	59.3 Å²	59.3	26%	0.262	27%	0.266	S	S	.	.	H	α-helix	trans	-54.9	-42.6	-174.2	-167.5	173.6	0	0	0	112.5	F362 I369 I370	F362-I366 HydrophobicContact CD2-CB 4.31Å; F362-I366 HydrophobicContact CE1-CD1 4.14Å; F362-I366 HydrophobicContact CE2-CB 4.1Å; F362-I366 HydrophobicContact CE2-CD1 3.84Å; F362-I366 HydrophobicContact CE2-CG1 3.86Å; F362-I366 HydrophobicContact CZ-CD1 3.54Å; F362-I366 HydrophobicContact CZ-CG1 4.11Å; F362-I366 VanDerWaalsContact O-CB 3.31Å; F362-I366 WeakPolarHBondContact O-CB 3.44Å; F362-I366 PolarHBondContact O-N 2.69Å; I366-I369 PolarHBondContact O-N 3Å; I366-I370 HydrophobicContact CG1-CD1 3.93Å; I366-I370 VanDerWaalsContact O-CG1 3.27Å; I366-I370 WeakPolarHBondContact O-CG1 3.46Å; I366-I370 PolarHBondContact O-N 3.11Å
367	M	95.7	Very high	94.7	Very high	112 Å²	112	65.4 Å²	65.4	55%	0.552	30%	0.297	S	S	*	.	H	α-helix	trans	-71.5	-36.9	177.8	-72.1	-62	-170.6	0	0	112.4	M365 I369 R371	M365-M367 VanDerWaalsContact C-N 3.27Å; M365-M367 PolarHBondContact O-N 2.83Å; M367-I369 VanDerWaalsContact C-N 3.35Å; M367-R371 VanDerWaalsContact O-CB 3.26Å; M367-R371 WeakPolarHBondContact O-CB 3.34Å; M367-R371 VanDerWaalsContact O-CG 3.26Å; M367-R371 WeakPolarHBondContact O-CG 3.26Å; M367-R371 PolarHBondContact O-N 2.71Å
368	E	95	Very high	94.8	Very high	81 Å²	81	74.7 Å²	74.7	38%	0.379	33%	0.332	S	S	.	.	H	α-helix	trans	-61.5	-44	174.6	-62.8	176.1	-158.6	0	0	110.6	R309 M365 N372	R309-E368 IonicContact CZ-OE1 3.82Å; R309-E368 IonicContact NH1-OE1 2.87Å; R309-E368 PolarHBondContact NH1-OE1 2.86Å; R309-E368 IonicContact NH1-OE2 3.99Å; R309-E368 IonicContact NH2-OE2 2.88Å; M365-E368 WeakPolarHBondContact O-CA 3.15Å; M365-E368 WeakPolarHBondContact O-CB 3.13Å; M365-E368 PolarHBondContact O-N 3.38Å; E368-N372 WeakPolarHBondContact O-CB 3.4Å; E368-N372 PolarHBondContact O-N 3.14Å
369	I	96.6	Very high	94.8	Very high	0 Å²	0	75.8 Å²	75.8	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-65.2	-48.3	179.4	-63.5	160.6	0	0	0	111.2	V319 L323 M365 I366 M367 R371 N372 K380 L383 V384 F388	V319-I369 HydrophobicContact CG1-CD1 4.21Å; V319-I369 HydrophobicContact CG1-CG1 4.26Å; L323-I369 HydrophobicContact CD1-CG1 3.87Å; L323-I369 HydrophobicContact CD2-CB 4.4Å; L323-I369 HydrophobicContact CD2-CG1 4.21Å; L323-I369 HydrophobicContact CD2-CG2 4.25Å; M365-I369 HydrophobicContact CB-CD1 4.08Å; M365-I369 HydrophobicContact CB-CG1 4.43Å; M365-I369 VanDerWaalsContact O-CG1 3.31Å; M365-I369 WeakPolarHBondContact O-CG1 3.24Å; M365-I369 PolarHBondContact O-N 3.16Å; I366-I369 PolarHBondContact O-N 3Å; M367-I369 VanDerWaalsContact C-N 3.35Å; I369-R371 PolarHBondContact O-N 3.12Å; I369-N372 PolarHBondContact O-N 3.33Å; I369-K380 HydrophobicContact CG2-CB 4.34Å; I369-K380 HydrophobicContact CG2-CG 4.49Å; I369-L383 HydrophobicContact CD1-CB 4.48Å; I369-L383 HydrophobicContact CG2-CB 4.09Å; I369-L383 HydrophobicContact CG2-CD1 4.25Å; I369-V384 HydrophobicContact CB-CG2 4.28Å; I369-V384 HydrophobicContact CG2-CG2 3.66Å; I369-F388 HydrophobicContact CD1-CD2 4.09Å; I369-F388 HydrophobicContact CD1-CE2 3.79Å
370	I	95.7	Very high	94.8	Very high	90 Å²	90	77.9 Å²	77.9	46%	0.462	35%	0.346	S	S	.	.	H	α-helix	trans	-64.1	-43.5	-177.7	-68.5	168.9	0	0	0	110.7	I366 K380 V384	I366-I370 HydrophobicContact CG1-CD1 3.93Å; I366-I370 VanDerWaalsContact O-CG1 3.27Å; I366-I370 WeakPolarHBondContact O-CG1 3.46Å; I366-I370 PolarHBondContact O-N 3.11Å; I370-K380 PolarHBondContact O-NZ 3.13Å; I370-V384 HydrophobicContact CG1-CG2 4.34Å
371	R	95.8	Very high	94.9	Very high	186 Å²	186	82.2 Å²	82.2	70%	0.702	37%	0.369	S	S	*	.	H	α-helix	trans	-78.2	-16.9	-177.5	-67.8	177.8	176.9	-177.3	-1	114.2	M367 I369 K373	M367-R371 VanDerWaalsContact O-CB 3.26Å; M367-R371 WeakPolarHBondContact O-CB 3.34Å; M367-R371 VanDerWaalsContact O-CG 3.26Å; M367-R371 WeakPolarHBondContact O-CG 3.26Å; M367-R371 PolarHBondContact O-N 2.71Å; I369-R371 PolarHBondContact O-N 3.12Å; R371-K373 PolarHBondContact O-N 3.24Å
372	N	95.6	Very high	94.9	Very high	29 Å²	29	83 Å²	83	16%	0.155	37%	0.371	C	S	.	.			trans	-57.2	129.1	-179.1	-177.3	-72.6	0	0	0	111.3	L323 E368 I369 R374 V375 K380	L323-N372 HydrophobicContact CD2-CB 4.15Å; L323-N372 PolarHBondContact O-ND2 2.9Å; L323-N372 PolarHBondContact O-OD1 3.2Å; E368-N372 WeakPolarHBondContact O-CB 3.4Å; E368-N372 PolarHBondContact O-N 3.14Å; I369-N372 PolarHBondContact O-N 3.33Å; N372-R374 WeakPolarHBondContact OD1-CA 3.22Å; N372-R374 PolarHBondContact OD1-N 3.39Å; N372-V375 HydrophobicContact CB-CG2 4.48Å; N372-V375 PolarHBondContact OD1-N 2.89Å; N372-K380 WeakPolarHBondContact O-CE 3.39Å; N372-K380 PolarHBondContact O-NZ 3.33Å
373	K	93.7	Very high	94.9	Very high	204 Å²	204	81.9 Å²	81.9	89%	0.887	37%	0.367	S	S	*	.	S	Bend	trans	-98.5	-7.9	-178.9	-64	-175.7	-179.5	-180	0	114.1	R371	R371-K373 PolarHBondContact O-N 3.24Å
374	R	93.7	Very high	95.1	Very high	157 Å²	157	77.1 Å²	77.1	59%	0.592	35%	0.352	S	S	*	.	S	Bend	trans	-83.3	-37.2	-174	-63.5	-173.6	-179	-163.9	4.9	112.5	E302 N372	E302-R374 IonicContact OE1-CZ 3.04Å; E302-R374 IonicContact OE1-NH1 2.94Å; E302-R374 PolarHBondContact OE1-NH1 2.8Å; N372-R374 WeakPolarHBondContact OD1-CA 3.22Å; N372-R374 PolarHBondContact OD1-N 3.39Å
375	V	93.7	Very high	95.1	Very high	17 Å²	17	78 Å²	78	10%	0.103	35%	0.354	C	S	.	.	S	Bend	trans	-93.5	152	-178.4	-60.9	0	0	0	0	113.3	G322 L323 N372 K379 K380	G322-V375 WeakPolarHBondContact O-CG1 3.34Å; L323-V375 HydrophobicContact CD2-CG2 3.94Å; N372-V375 HydrophobicContact CB-CG2 4.48Å; N372-V375 PolarHBondContact OD1-N 2.89Å; V375-K379 HydrophobicContact CB-CB 4.11Å; V375-K379 HydrophobicContact CB-CG 4.08Å; V375-K379 HydrophobicContact CG1-CG 4.34Å; V375-K379 HydrophobicContact CG2-CB 4.42Å; V375-K379 HydrophobicContact CG2-CG 4.39Å; V375-K380 HydrophobicContact CG2-CG 3.79Å
376	T	95	Very high	95.1	Very high	93 Å²	93	78.4 Å²	78.4	57%	0.571	36%	0.357	S	S	*	.			trans	-62.9	155.1	177.5	66.6	0	0	0	0	112.2	W378 K379 K380	T376-W378 PolarHBondContact O-N 3.23Å; T376-K379 WeakPolarHBondContact O-CB 3.45Å; T376-K379 PolarHBondContact O-N 2.86Å; T376-K379 VanDerWaalsContact O-N 3.11Å; T376-K379 PolarHBondContact OG1-N 2.95Å; T376-K380 PolarHBondContact O-N 3.22Å; T376-K380 VanDerWaalsContact O-N 3.13Å
377	I	94.7	Very high	95.1	Very high	130 Å²	130	76 Å²	76	67%	0.667	35%	0.345	S	S	*	.	H	α-helix	trans	-59.1	-33.1	176.8	-161.6	162.5	0	0	0	112.3	K380 L381	I377-K380 WeakPolarHBondContact O-CB 3.28Å; I377-K380 PolarHBondContact O-N 3.21Å; I377-L381 WeakPolarHBondContact O-CB 3.44Å; I377-L381 PolarHBondContact O-N 3.43Å
378	W	93.7	Very high	95.1	Very high	195 Å²	195	70.7 Å²	70.7	74%	0.739	32%	0.319	S	S	*	.	H	α-helix	trans	-65.9	-40.3	176	-65.8	112.8	0	0	0	112.8	T376 K380 L381 Y382	T376-W378 PolarHBondContact O-N 3.23Å; W378-K380 VanDerWaalsContact C-N 3.34Å; W378-L381 HydrophobicContact CE3-CD2 4.21Å; W378-L381 HydrophobicContact CZ3-CD2 4.16Å; W378-L381 PolarHBondContact O-N 2.84Å; W378-Y382 WeakPolarHBondContact O-CB 3.36Å; W378-Y382 PolarHBondContact O-N 3.14Å
379	K	94.1	Very high	95.2	Very high	25 Å²	25	70.9 Å²	70.9	11%	0.109	32%	0.318	C	S	.	.	H	α-helix	trans	-64.2	-41.7	174.2	-174.2	71.9	169.5	-133.5	0	110.7	H283 V375 T376 Y382 L383	H283-K379 PolarHBondContact O-NZ 3Å; V375-K379 HydrophobicContact CB-CB 4.11Å; V375-K379 HydrophobicContact CB-CG 4.08Å; V375-K379 HydrophobicContact CG1-CG 4.34Å; V375-K379 HydrophobicContact CG2-CB 4.42Å; V375-K379 HydrophobicContact CG2-CG 4.39Å; T376-K379 WeakPolarHBondContact O-CB 3.45Å; T376-K379 PolarHBondContact O-N 2.86Å; T376-K379 VanDerWaalsContact O-N 3.11Å; T376-K379 PolarHBondContact OG1-N 2.95Å; K379-Y382 PolarHBondContact O-N 2.91Å; K379-L383 HydrophobicContact CG-CD1 4.36Å; K379-L383 WeakPolarHBondContact O-CG 3.42Å; K379-L383 PolarHBondContact O-N 3.38Å
380	K	95.8	Very high	95.1	Very high	44 Å²	44	71 Å²	71	19%	0.191	32%	0.319	C	S	.	.	H	α-helix	trans	-61.8	-47.2	175.2	-61.4	179.9	-176.2	-173.8	0	111.9	I369 I370 N372 V375 T376 I377 W378 Y382 L383 V384	I369-K380 HydrophobicContact CG2-CB 4.34Å; I369-K380 HydrophobicContact CG2-CG 4.49Å; I370-K380 PolarHBondContact O-NZ 3.13Å; N372-K380 WeakPolarHBondContact O-CE 3.39Å; N372-K380 PolarHBondContact O-NZ 3.33Å; V375-K380 HydrophobicContact CG2-CG 3.79Å; T376-K380 PolarHBondContact O-N 3.22Å; T376-K380 VanDerWaalsContact O-N 3.13Å; I377-K380 WeakPolarHBondContact O-CB 3.28Å; I377-K380 PolarHBondContact O-N 3.21Å; W378-K380 VanDerWaalsContact C-N 3.34Å; K380-Y382 VanDerWaalsContact C-N 3.33Å; K380-Y382 PolarHBondContact O-N 3.38Å; K380-L383 PolarHBondContact O-N 3.24Å; K380-V384 WeakPolarHBondContact O-CB 3.44Å; K380-V384 WeakPolarHBondContact O-CG2 3.43Å; K380-V384 PolarHBondContact O-N 3.3Å
381	L	95.2	Very high	95	Very high	94 Å²	94	67.5 Å²	67.5	49%	0.492	30%	0.3	S	S	.	.	H	α-helix	trans	-60.5	-45.3	177.8	-178	63.2	0	0	0	110.6	I377 W378 L383 Y385	I377-L381 WeakPolarHBondContact O-CB 3.44Å; I377-L381 PolarHBondContact O-N 3.43Å; W378-L381 HydrophobicContact CE3-CD2 4.21Å; W378-L381 HydrophobicContact CZ3-CD2 4.16Å; W378-L381 PolarHBondContact O-N 2.84Å; L381-L383 PolarHBondContact O-N 2.88Å; L381-Y385 VanDerWaalsContact O-CB 3.27Å; L381-Y385 WeakPolarHBondContact O-CB 3.48Å; L381-Y385 PolarHBondContact O-N 3.43Å
382	Y	95.4	Very high	95	Very high	15 Å²	15	59.9 Å²	59.9	6%	0.059	27%	0.272	C	S	.	.	I	π-helix	trans	-57.7	-48.9	174.7	172	-103.5	0	0	0	112	H283 F285 W378 K379 K380 S386 F387 R391	H283-Y382 HydrophobicContact CB-CD1 3.95Å; H283-Y382 HydrophobicContact CB-CE1 3.82Å; H283-Y382 HydrophobicContact CB-CG 4.36Å; H283-Y382 AromaticContact CD2-CD2 3.43Å; H283-Y382 VanDerWaalsContact CD2-CD2 3.43Å; H283-Y382 WeakPolarHBondContact CD2-CD2 3.39Å; H283-Y382 AromaticContact CD2-CE2 3.17Å; H283-Y382 WeakPolarHBondContact CD2-CE2 3.35Å; H283-Y382 AromaticContact CD2-CG 3.94Å; H283-Y382 AromaticContact CD2-CZ 3.48Å; H283-Y382 VanDerWaalsContact CD2-CZ 3.48Å; H283-Y382 AromaticContact CE1-CD2 3.42Å; H283-Y382 VanDerWaalsContact CE1-CD2 3.42Å; H283-Y382 WeakPolarHBondContact CE1-CD2 3.29Å; H283-Y382 AromaticContact CE1-CE2 3.98Å; H283-Y382 AromaticContact CE1-CG 3.75Å; H283-Y382 AromaticContact CG-CD1 3.8Å; H283-Y382 AromaticContact CG-CD2 3.71Å; H283-Y382 AromaticContact CG-CE1 3.86Å; H283-Y382 AromaticContact CG-CE2 3.76Å; H283-Y382 AromaticContact CG-CG 3.71Å; H283-Y382 AromaticContact CG-CZ 3.82Å; H283-Y382 AromaticContact ND1-CD2 3.71Å; H283-Y382 AromaticContact ND1-CG 3.6Å; H283-Y382 AromaticContact NE2-CD2 3.25Å; H283-Y382 VanDerWaalsContact NE2-CD2 3.25Å; H283-Y382 WeakPolarHBondContact NE2-CD2 3.48Å; H283-Y382 AromaticContact NE2-CE2 3.35Å; H283-Y382 WeakPolarHBondContact NE2-CE2 3.3Å; H283-Y382 AromaticContact NE2-CG 3.98Å; F285-Y382 AromaticContact CD1-CE1 3.88Å; F285-Y382 HydrophobicContact CD1-CE1 3.88Å; W378-Y382 WeakPolarHBondContact O-CB 3.36Å; W378-Y382 PolarHBondContact O-N 3.14Å; K379-Y382 PolarHBondContact O-N 2.91Å; K380-Y382 VanDerWaalsContact C-N 3.33Å; K380-Y382 PolarHBondContact O-N 3.38Å; Y382-S386 WeakPolarHBondContact CE2-OG 3.49Å; Y382-S386 WeakPolarHBondContact O-CB 3.42Å; Y382-S386 PolarHBondContact O-N 3.03Å; Y382-S386 VanDerWaalsContact O-N 3.11Å; Y382-F387 HydrophobicContact CE1-CB 4.34Å; Y382-F387 PolarHBondContact O-N 2.92Å; Y382-R391 PolarHBondContact OH-NH2 3.22Å
383	L	96.6	Very high	94.9	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	27%	0.268	C	S	.	.	I	π-helix	trans	-62.8	-48.9	-179.9	-71.8	175.4	0	0	0	112.2	F285 L323 I369 K379 K380 L381 F388	F285-L383 HydrophobicContact CD1-CD2 3.72Å; F285-L383 HydrophobicContact CD2-CD2 4.37Å; F285-L383 HydrophobicContact CE1-CD2 3.3Å; F285-L383 HydrophobicContact CE2-CD2 4Å; F285-L383 HydrophobicContact CG-CD2 4.24Å; F285-L383 HydrophobicContact CZ-CD2 3.47Å; F285-L383 VanDerWaalsContact CZ-CD2 3.47Å; L323-L383 HydrophobicContact CD2-CD1 3.8Å; L323-L383 HydrophobicContact CG-CD1 4.4Å; I369-L383 HydrophobicContact CD1-CB 4.48Å; I369-L383 HydrophobicContact CG2-CB 4.09Å; I369-L383 HydrophobicContact CG2-CD1 4.25Å; K379-L383 HydrophobicContact CG-CD1 4.36Å; K379-L383 WeakPolarHBondContact O-CG 3.42Å; K379-L383 PolarHBondContact O-N 3.38Å; K380-L383 PolarHBondContact O-N 3.24Å; L381-L383 PolarHBondContact O-N 2.88Å; L383-F388 VanDerWaalsContact O-CD2 3.26Å; L383-F388 WeakPolarHBondContact O-CD2 3.43Å; L383-F388 PolarHBondContact O-N 3.48Å
384	V	96.9	Very high	95	Very high	31 Å²	31	50.8 Å²	50.8	19%	0.188	23%	0.232	C	C	.	.	I	π-helix	trans	-72.6	-55.1	-176.1	174.9	0	0	0	0	111.5	F362 I369 I370 K380 F389	F362-V384 HydrophobicContact CE2-CG1 4.12Å; F362-V384 HydrophobicContact CZ-CG1 4.14Å; I369-V384 HydrophobicContact CB-CG2 4.28Å; I369-V384 HydrophobicContact CG2-CG2 3.66Å; I370-V384 HydrophobicContact CG1-CG2 4.34Å; K380-V384 WeakPolarHBondContact O-CB 3.44Å; K380-V384 WeakPolarHBondContact O-CG2 3.43Å; K380-V384 PolarHBondContact O-N 3.3Å; V384-F389 WeakPolarHBondContact O-CB 3.42Å; V384-F389 PolarHBondContact O-N 3.08Å
385	Y	95.1	Very high	95	Very high	83 Å²	83	44.9 Å²	44.9	33%	0.325	21%	0.214	S	C	.	.	I	π-helix	trans	-80.5	-58.1	-172.1	169.2	-101.8	0	0	0	112.1	L381 F389 L390	L381-Y385 VanDerWaalsContact O-CB 3.27Å; L381-Y385 WeakPolarHBondContact O-CB 3.48Å; L381-Y385 PolarHBondContact O-N 3.43Å; Y385-F389 HydrophobicContact CD2-CD1 4.18Å; Y385-F389 WeakPolarHBondContact O-CB 3.44Å; Y385-L390 HydrophobicContact CE1-CD2 4.39Å; Y385-L390 VanDerWaalsContact O-CB 3.27Å; Y385-L390 WeakPolarHBondContact O-CB 3.34Å; Y385-L390 PolarHBondContact O-N 3.2Å
386	S	94.1	Very high	95	Very high	10 Å²	10	45 Å²	45	7%	0.07	21%	0.213	C	C	.	.	I	π-helix	trans	-79.5	-53.8	-169.8	161.2	0	0	0	0	110.9	E83 Y382 R391	E83-S386 PolarHBondContact OE1-OG 3.35Å; Y382-S386 WeakPolarHBondContact CE2-OG 3.49Å; Y382-S386 WeakPolarHBondContact O-CB 3.42Å; Y382-S386 PolarHBondContact O-N 3.03Å; Y382-S386 VanDerWaalsContact O-N 3.11Å; S386-R391 WeakPolarHBondContact O-CG 3.4Å; S386-R391 PolarHBondContact O-N 2.9Å; S386-R391 PolarHBondContact O-NH1 3.31Å; S386-R391 PolarHBondContact OG-NH1 2.96Å
387	F	95.6	Very high	95	Very high	1 Å²	1	41.4 Å²	41.4	0%	0.004	19%	0.192	C	C	.	.	I	π-helix	trans	-68.6	-58.3	-176.9	-179.4	-90.8	0	0	0	113.4	F285 M315 V319 Y382 R391 K392	F285-F387 HydrophobicContact CD1-CD2 4.48Å; F285-F387 HydrophobicContact CE1-CD1 4.46Å; F285-F387 AromaticContact CE1-CD2 3.88Å; F285-F387 HydrophobicContact CE1-CD2 3.88Å; F285-F387 HydrophobicContact CE1-CE1 4.37Å; F285-F387 AromaticContact CE1-CE2 3.82Å; F285-F387 HydrophobicContact CE1-CE2 3.82Å; F285-F387 HydrophobicContact CE1-CG 4.25Å; F285-F387 HydrophobicContact CE1-CZ 4.07Å; M315-F387 HydrophobicContact CE-CZ 4.12Å; M315-F387 HydrophobicContact CG-CE1 4.24Å; M315-F387 HydrophobicContact CG-CZ 4.06Å; M315-F387 HydrophobicContact SD-CE1 3.91Å; M315-F387 HydrophobicContact SD-CZ 3.95Å; V319-F387 HydrophobicContact CG2-CE1 4.43Å; Y382-F387 HydrophobicContact CE1-CB 4.34Å; Y382-F387 PolarHBondContact O-N 2.92Å; F387-R391 VanDerWaalsContact CA-NH2 3.27Å; F387-R391 VanDerWaalsContact CD2-NH2 3.32Å; F387-K392 WeakPolarHBondContact O-CG 3.3Å
388	F	96.1	Very high	95	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	16%	0.162	C	C	.	.	I	π-helix	trans	-83.5	-63.1	-177	-80.3	-65.5	0	0	0	113.3	M315 V319 L361 F362 I369 L383 K392 I393	M315-F388 HydrophobicContact SD-CE1 3.9Å; M315-F388 HydrophobicContact SD-CZ 4.42Å; V319-F388 HydrophobicContact CG1-CE2 4.4Å; V319-F388 HydrophobicContact CG2-CE2 3.95Å; V319-F388 HydrophobicContact CG2-CZ 3.78Å; L361-F388 HydrophobicContact CB-CE1 4.43Å; L361-F388 HydrophobicContact CD2-CE1 4.21Å; L361-F388 HydrophobicContact CD2-CZ 4.02Å; L361-F388 HydrophobicContact CG-CE1 4.35Å; L361-F388 HydrophobicContact CG-CZ 4.19Å; F362-F388 HydrophobicContact CB-CB 4.09Å; F362-F388 HydrophobicContact CB-CD1 3.58Å; F362-F388 HydrophobicContact CB-CE1 4.08Å; F362-F388 HydrophobicContact CB-CG 3.88Å; F362-F388 HydrophobicContact CD1-CB 4.36Å; F362-F388 HydrophobicContact CD2-CB 3.21Å; F362-F388 HydrophobicContact CD2-CD1 4.03Å; F362-F388 AromaticContact CD2-CD2 3.66Å; F362-F388 HydrophobicContact CD2-CD2 3.66Å; F362-F388 HydrophobicContact CD2-CE2 4.49Å; F362-F388 AromaticContact CD2-CG 3.38Å; F362-F388 HydrophobicContact CD2-CG 3.38Å; F362-F388 HydrophobicContact CE2-CB 3.56Å; F362-F388 HydrophobicContact CE2-CD2 4.28Å; F362-F388 HydrophobicContact CE2-CG 4.12Å; F362-F388 HydrophobicContact CG-CB 3.64Å; F362-F388 HydrophobicContact CG-CD1 4.1Å; F362-F388 AromaticContact CG-CG 3.87Å; F362-F388 HydrophobicContact CG-CG 3.87Å; F362-F388 HydrophobicContact CZ-CB 4.23Å; I369-F388 HydrophobicContact CD1-CD2 4.09Å; I369-F388 HydrophobicContact CD1-CE2 3.79Å; L383-F388 VanDerWaalsContact O-CD2 3.26Å; L383-F388 WeakPolarHBondContact O-CD2 3.43Å; L383-F388 PolarHBondContact O-N 3.48Å; F388-K392 WeakPolarHBondContact O-CA 3.36Å; F388-K392 WeakPolarHBondContact O-CB 3.4Å; F388-K392 PolarHBondContact O-N 3.48Å; F388-I393 PolarHBondContact O-N 2.75Å
389	F	95.5	Very high	95	Very high	85 Å²	85	27.7 Å²	27.7	37%	0.373	13%	0.134	S	C	.	.	I	π-helix	trans	-63.1	-56	-169.6	177.9	-106.5	0	0	0	112	F362 V384 Y385 I393 I394	F362-F389 HydrophobicContact CZ-CB 4.3Å; V384-F389 WeakPolarHBondContact O-CB 3.42Å; V384-F389 PolarHBondContact O-N 3.08Å; Y385-F389 HydrophobicContact CD2-CD1 4.18Å; Y385-F389 WeakPolarHBondContact O-CB 3.44Å; F389-I393 WeakPolarHBondContact O-CB 3.49Å; F389-I393 PolarHBondContact O-N 3.17Å; F389-I394 HydrophobicContact CD1-CG1 3.96Å; F389-I394 HydrophobicContact CD2-CG1 4.18Å; F389-I394 HydrophobicContact CE1-CD1 4.15Å; F389-I394 HydrophobicContact CE1-CG1 3.66Å; F389-I394 HydrophobicContact CE2-CD1 3.83Å; F389-I394 HydrophobicContact CE2-CG1 3.88Å; F389-I394 HydrophobicContact CG-CG1 4.22Å; F389-I394 HydrophobicContact CZ-CD1 3.61Å; F389-I394 HydrophobicContact CZ-CG1 3.62Å; F389-I394 WeakPolarHBondContact O-CG1 3.44Å; F389-I394 PolarHBondContact O-N 3.13Å
390	L	95.5	Very high	95.1	Very high	1 Å²	1	28 Å²	28	1%	0.005	14%	0.136	C	C	.	.	I	π-helix	trans	-70.1	-58.7	-176.5	-171.1	58.1	0	0	0	111.1	L79 V80 E83 Y385 I394 V395	L79-L390 HydrophobicContact CB-CD1 4.27Å; V80-L390 HydrophobicContact CG2-CD1 3.99Å; E83-L390 HydrophobicContact CB-CD2 3.64Å; E83-L390 HydrophobicContact CG-CD2 3.79Å; Y385-L390 HydrophobicContact CE1-CD2 4.39Å; Y385-L390 VanDerWaalsContact O-CB 3.27Å; Y385-L390 WeakPolarHBondContact O-CB 3.34Å; Y385-L390 PolarHBondContact O-N 3.2Å; L390-I394 HydrophobicContact CD1-CB 4.18Å; L390-I394 HydrophobicContact CD1-CG2 3.99Å; L390-I394 PolarHBondContact O-N 2.94Å; L390-V395 VanDerWaalsContact O-CG2 3.32Å; L390-V395 WeakPolarHBondContact O-CG2 3.44Å; L390-V395 PolarHBondContact O-N 3.33Å
391	R	94	Very high	95.1	Very high	18 Å²	18	29 Å²	29	7%	0.068	14%	0.142	C	C	.	.	I	π-helix	trans	-75.4	-39.9	-171.3	-68.6	-164.6	-59.5	-88.9	3.8	115.3	E83 E275 Y382 S386 F387	E83-R391 IonicContact OE1-CZ 3.55Å; E83-R391 IonicContact OE1-NH1 2.75Å; E83-R391 PolarHBondContact OE1-NH1 2.88Å; E275-R391 IonicContact OE1-CZ 3.67Å; E275-R391 IonicContact OE1-NE 2.71Å; E275-R391 PolarHBondContact OE1-NE 2.87Å; Y382-R391 PolarHBondContact OH-NH2 3.22Å; S386-R391 WeakPolarHBondContact O-CG 3.4Å; S386-R391 PolarHBondContact O-N 2.9Å; S386-R391 PolarHBondContact O-NH1 3.31Å; S386-R391 PolarHBondContact OG-NH1 2.96Å; F387-R391 VanDerWaalsContact CA-NH2 3.27Å; F387-R391 VanDerWaalsContact CD2-NH2 3.32Å
392	K	94.2	Very high	95.1	Very high	25 Å²	25	24.5 Å²	24.5	11%	0.109	12%	0.119	C	C	.	.	I	π-helix	trans	-95.7	-14.6	-175.2	-52.8	-55.2	169.7	-162.8	0	114.3	E275 P358 F387 F388 H396	E275-K392 IonicContact OE1-NZ 2.72Å; E275-K392 PolarHBondContact OE1-NZ 2.97Å; E275-K392 IonicContact OE2-NZ 3.75Å; P358-K392 HydrophobicContact CB-CB 4Å; P358-K392 HydrophobicContact CB-CD 4.46Å; P358-K392 HydrophobicContact CB-CG 4.04Å; F387-K392 WeakPolarHBondContact O-CG 3.3Å; F388-K392 WeakPolarHBondContact O-CA 3.36Å; F388-K392 WeakPolarHBondContact O-CB 3.4Å; F388-K392 PolarHBondContact O-N 3.48Å; K392-H396 PolarHBondContact O-CD2 2.78Å
393	I	95.2	Very high	95.1	Very high	16 Å²	16	25 Å²	25	8%	0.082	12%	0.121	C	C	.	.	I	π-helix	trans	-118.1	-66	179.9	-60	175	0	0	0	111.1	A359 F362 F388 F389 V395 H396 C397 T463 I467	A359-I393 HydrophobicContact CB-CG1 4.39Å; F362-I393 HydrophobicContact CB-CD1 4.42Å; F362-I393 HydrophobicContact CD1-CD1 3.3Å; F362-I393 HydrophobicContact CE1-CD1 3.82Å; F362-I393 HydrophobicContact CG-CD1 4.18Å; F388-I393 PolarHBondContact O-N 2.75Å; F389-I393 WeakPolarHBondContact O-CB 3.49Å; F389-I393 PolarHBondContact O-N 3.17Å; I393-V395 PolarHBondContact O-N 2.98Å; I393-H396 PolarHBondContact O-N 3.27Å; I393-C397 PolarHBondContact O-N 2.91Å; I393-C397 VanDerWaalsContact O-N 3.16Å; I393-T463 HydrophobicContact CB-CG2 4.17Å; I393-T463 HydrophobicContact CG1-CG2 4.1Å; I393-T463 HydrophobicContact CG2-CG2 3.85Å; I393-I467 HydrophobicContact CD1-CD1 3.99Å; I393-I467 HydrophobicContact CG1-CD1 4.31Å; I393-I467 HydrophobicContact CG2-CD1 3.93Å
394	I	95.3	Very high	95	Very high	26 Å²	26	25 Å²	25	13%	0.133	12%	0.121	C	C	.	.	I	π-helix	trans	-63.6	-47.8	-170.2	-66.5	-62.6	0	0	0	111.5	I76 F389 L390 H396 C397 F398	I76-I394 HydrophobicContact CB-CG2 4.45Å; I76-I394 HydrophobicContact CD1-CG2 4.24Å; I76-I394 HydrophobicContact CG1-CG2 4.27Å; I76-I394 HydrophobicContact CG2-CG2 3.36Å; F389-I394 HydrophobicContact CD1-CG1 3.96Å; F389-I394 HydrophobicContact CD2-CG1 4.18Å; F389-I394 HydrophobicContact CE1-CD1 4.15Å; F389-I394 HydrophobicContact CE1-CG1 3.66Å; F389-I394 HydrophobicContact CE2-CD1 3.83Å; F389-I394 HydrophobicContact CE2-CG1 3.88Å; F389-I394 HydrophobicContact CG-CG1 4.22Å; F389-I394 HydrophobicContact CZ-CD1 3.61Å; F389-I394 HydrophobicContact CZ-CG1 3.62Å; F389-I394 WeakPolarHBondContact O-CG1 3.44Å; F389-I394 PolarHBondContact O-N 3.13Å; L390-I394 HydrophobicContact CD1-CB 4.18Å; L390-I394 HydrophobicContact CD1-CG2 3.99Å; L390-I394 PolarHBondContact O-N 2.94Å; I394-H396 VanDerWaalsContact C-N 3.3Å; I394-H396 PolarHBondContact O-N 3.37Å; I394-C397 PolarHBondContact O-N 3.48Å; I394-F398 HydrophobicContact CG2-CB 4.43Å; I394-F398 WeakPolarHBondContact O-CA 3.41Å; I394-F398 WeakPolarHBondContact O-CB 3.14Å; I394-F398 PolarHBondContact O-N 2.7Å
395	V	94.2	Very high	94.9	Very high	34 Å²	34	25.9 Å²	25.9	21%	0.206	13%	0.127	C	C	.	.	H	α-helix	trans	-56	-44.6	179.6	168.3	0	0	0	0	111.5	V80 L390 I393 T399	V80-V395 HydrophobicContact CG1-CG2 4.05Å; V80-V395 HydrophobicContact CG2-CG2 3.78Å; L390-V395 VanDerWaalsContact O-CG2 3.32Å; L390-V395 WeakPolarHBondContact O-CG2 3.44Å; L390-V395 PolarHBondContact O-N 3.33Å; I393-V395 PolarHBondContact O-N 2.98Å; V395-T399 WeakPolarHBondContact O-CB 3.44Å; V395-T399 PolarHBondContact O-N 3.43Å; V395-T399 PolarHBondContact O-OG1 3.46Å
396	H	92.3	Very high	94.8	Very high	19 Å²	19	22.5 Å²	22.5	9%	0.088	11%	0.114	C	C	.	.	H	α-helix	trans	-63	-51.2	-179.5	-64.6	-14.6	0	0	0	111.9	S355 K392 I393 I394 R459 T460	S355-H396 PolarHBondContact OG-CD2 3.4Å; S355-H396 VanDerWaalsContact OG-CD2 3.29Å; S355-H396 PolarHBondContact OG-NE2 3.31Å; K392-H396 PolarHBondContact O-CD2 2.78Å; I393-H396 PolarHBondContact O-N 3.27Å; I394-H396 VanDerWaalsContact C-N 3.3Å; I394-H396 PolarHBondContact O-N 3.37Å; H396-R459 HydrophobicContact CB-CB 3.96Å; H396-T460 PolarHBondContact O-OG1 3.14Å
397	C	94.7	Very high	94.8	Very high	17 Å²	17	22.3 Å²	22.3	12%	0.115	11%	0.112	C	C	.	.	H	α-helix	trans	-65.8	-44.5	179.7	-66.1	0	0	0	0	112.1	I393 I394 F400 I401 T460	I393-C397 PolarHBondContact O-N 2.91Å; I393-C397 VanDerWaalsContact O-N 3.16Å; I394-C397 PolarHBondContact O-N 3.48Å; C397-F400 PolarHBondContact O-N 3.49Å; C397-I401 HydrophobicContact CB-CD1 4.23Å; C397-I401 VanDerWaalsContact O-CB 3.29Å; C397-I401 WeakPolarHBondContact O-CB 3.43Å; C397-I401 WeakPolarHBondContact O-CG1 3.32Å; C397-I401 PolarHBondContact O-N 2.99Å; C397-T460 WeakPolarHBondContact CA-OG1 3.4Å; C397-T460 HydrophobicContact CB-CG2 4.48Å
398	F	95.6	Very high	94.7	Very high	12 Å²	12	22.3 Å²	22.3	5%	0.053	11%	0.112	C	C	.	.	H	α-helix	trans	-62.7	-48.3	-178	169.6	-108.5	0	0	0	111.9	C73 I76 V80 I394 F400 I401 F402 Y403	C73-F398 HydrophobicContact CB-CD2 4.5Å; C73-F398 HydrophobicContact CB-CE2 3.99Å; C73-F398 WeakPolarHBondContact O-CE2 3.29Å; I76-F398 HydrophobicContact CB-CD2 3.9Å; I76-F398 HydrophobicContact CB-CE2 4.25Å; I76-F398 HydrophobicContact CB-CG 4.34Å; I76-F398 HydrophobicContact CG2-CB 3.72Å; I76-F398 HydrophobicContact CG2-CD1 3.98Å; I76-F398 HydrophobicContact CG2-CD2 3.51Å; I76-F398 HydrophobicContact CG2-CE2 4.13Å; I76-F398 HydrophobicContact CG2-CG 3.43Å; I76-F398 VanDerWaalsContact CG2-CG 3.43Å; V80-F398 HydrophobicContact CG2-CD1 4.32Å; I394-F398 HydrophobicContact CG2-CB 4.43Å; I394-F398 WeakPolarHBondContact O-CA 3.41Å; I394-F398 WeakPolarHBondContact O-CB 3.14Å; I394-F398 PolarHBondContact O-N 2.7Å; F398-F400 VanDerWaalsContact C-N 3.27Å; F398-F400 PolarHBondContact O-N 3.2Å; F398-I401 PolarHBondContact O-N 2.81Å; F398-F402 HydrophobicContact CD2-CB 3.84Å; F398-F402 HydrophobicContact CD2-CG 4.44Å; F398-F402 HydrophobicContact CE1-CD1 4.48Å; F398-F402 HydrophobicContact CE2-CB 3.5Å; F398-F402 AromaticContact CE2-CD1 3.81Å; F398-F402 HydrophobicContact CE2-CD1 3.81Å; F398-F402 HydrophobicContact CE2-CD2 4.33Å; F398-F402 AromaticContact CE2-CG 3.63Å; F398-F402 HydrophobicContact CE2-CG 3.63Å; F398-F402 HydrophobicContact CZ-CB 3.99Å; F398-F402 AromaticContact CZ-CD1 3.57Å; F398-F402 HydrophobicContact CZ-CD1 3.57Å; F398-F402 HydrophobicContact CZ-CE1 4.26Å; F398-F402 AromaticContact CZ-CG 3.91Å; F398-F402 HydrophobicContact CZ-CG 3.91Å; F398-F402 WeakPolarHBondContact O-CB 3.49Å; F398-F402 PolarHBondContact O-N 3.47Å; F398-Y403 HydrophobicContact CE1-CE2 4.34Å
399	T	94.5	Very high	94.5	Very high	25 Å²	25	23.6 Å²	23.6	15%	0.153	12%	0.12	C	C	.	.	H	α-helix	trans	-57.2	-43.6	179.6	-60	0	0	0	0	111	V395 Y403 N453	V395-T399 WeakPolarHBondContact O-CB 3.44Å; V395-T399 PolarHBondContact O-N 3.43Å; V395-T399 PolarHBondContact O-OG1 3.46Å; T399-Y403 HydrophobicContact CG2-CD2 4.04Å; T399-Y403 WeakPolarHBondContact O-CB 3.37Å; T399-Y403 VanDerWaalsContact O-CD2 3.3Å; T399-Y403 WeakPolarHBondContact O-CD2 3.27Å; T399-Y403 PolarHBondContact O-N 3.45Å; T399-N453 WeakPolarHBondContact CG2-OD1 3.42Å
400	F	95.7	Very high	94.3	Very high	32 Å²	32	20.3 Å²	20.3	14%	0.14	11%	0.108	C	C	.	.	H	α-helix	trans	-69.8	-53.9	177.9	-179.3	-115.2	0	0	0	112.4	C397 F398 F402 C404 V405 S456 M457 T460 V512 F542	C397-F400 PolarHBondContact O-N 3.49Å; F398-F400 VanDerWaalsContact C-N 3.27Å; F398-F400 PolarHBondContact O-N 3.2Å; F400-F402 PolarHBondContact O-N 3.11Å; F400-C404 HydrophobicContact CD2-CB 3.75Å; F400-C404 HydrophobicContact CE2-CB 3.79Å; F400-C404 WeakPolarHBondContact O-CA 3.49Å; F400-C404 WeakPolarHBondContact O-CB 3.44Å; F400-C404 PolarHBondContact O-N 3.24Å; F400-V405 HydrophobicContact CE1-CG2 4.13Å; F400-V405 HydrophobicContact CZ-CG2 4.25Å; F400-S456 WeakPolarHBondContact CA-OG 3.38Å; F400-S456 VanDerWaalsContact CB-OG 3.29Å; F400-S456 WeakPolarHBondContact CB-OG 3.29Å; F400-S456 PolarHBondContact N-OG 2.91Å; F400-M457 VanDerWaalsContact CD2-CA 3.48Å; F400-M457 HydrophobicContact CD2-CB 3.58Å; F400-M457 HydrophobicContact CD2-CG 4.14Å; F400-M457 HydrophobicContact CE1-CG 4.47Å; F400-M457 HydrophobicContact CE2-CB 3.48Å; F400-M457 VanDerWaalsContact CE2-CB 3.48Å; F400-M457 HydrophobicContact CE2-CG 3.59Å; F400-M457 HydrophobicContact CE2-SD 4.34Å; F400-M457 HydrophobicContact CG-CB 4.34Å; F400-M457 HydrophobicContact CZ-CB 4.16Å; F400-M457 HydrophobicContact CZ-CG 3.78Å; F400-M457 HydrophobicContact CZ-SD 4.49Å; F400-T460 VanDerWaalsContact CB-OG1 3.25Å; F400-T460 WeakPolarHBondContact CB-OG1 3.24Å; F400-T460 HydrophobicContact CD1-CG2 4.08Å; F400-V512 HydrophobicContact CE2-CG1 4.48Å; F400-V512 HydrophobicContact CZ-CG2 4.46Å; F400-F542 HydrophobicContact CE2-CZ 4.45Å
401	I	95.7	Very high	94	Very high	64 Å²	64	21.4 Å²	21.4	33%	0.328	12%	0.115	S	C	.	.	H	α-helix	trans	-62.8	-45.6	-174.5	-67.6	167.9	0	0	0	110.1	C397 F398 V405 I406	C397-I401 HydrophobicContact CB-CD1 4.23Å; C397-I401 VanDerWaalsContact O-CB 3.29Å; C397-I401 WeakPolarHBondContact O-CB 3.43Å; C397-I401 WeakPolarHBondContact O-CG1 3.32Å; C397-I401 PolarHBondContact O-N 2.99Å; F398-I401 PolarHBondContact O-N 2.81Å; I401-V405 CarbonylContact O-C 3.56Å; I401-V405 WeakPolarHBondContact O-CA 3.43Å; I401-V405 VanDerWaalsContact O-CB 3.29Å; I401-V405 WeakPolarHBondContact O-CB 3.48Å; I401-V405 PolarHBondContact O-N 2.92Å; I401-I406 HydrophobicContact CG2-CG1 3.88Å; I401-I406 WeakPolarHBondContact O-CG1 3.22Å; I401-I406 PolarHBondContact O-N 2.91Å
402	F	95.6	Very high	93.6	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.121	C	C	.	.	I	π-helix	trans	-71.3	-56.7	-176.5	-172.5	-123.8	0	0	0	112	C73 F398 F400 I406 L407 I418 T423	C73-F402 HydrophobicContact CB-CB 4.48Å; C73-F402 HydrophobicContact CB-CD2 3.4Å; C73-F402 VanDerWaalsContact CB-CD2 3.4Å; C73-F402 HydrophobicContact CB-CE2 3.84Å; C73-F402 HydrophobicContact CB-CG 4.12Å; F398-F402 HydrophobicContact CD2-CB 3.84Å; F398-F402 HydrophobicContact CD2-CG 4.44Å; F398-F402 HydrophobicContact CE1-CD1 4.48Å; F398-F402 HydrophobicContact CE2-CB 3.5Å; F398-F402 AromaticContact CE2-CD1 3.81Å; F398-F402 HydrophobicContact CE2-CD1 3.81Å; F398-F402 HydrophobicContact CE2-CD2 4.33Å; F398-F402 AromaticContact CE2-CG 3.63Å; F398-F402 HydrophobicContact CE2-CG 3.63Å; F398-F402 HydrophobicContact CZ-CB 3.99Å; F398-F402 AromaticContact CZ-CD1 3.57Å; F398-F402 HydrophobicContact CZ-CD1 3.57Å; F398-F402 HydrophobicContact CZ-CE1 4.26Å; F398-F402 AromaticContact CZ-CG 3.91Å; F398-F402 HydrophobicContact CZ-CG 3.91Å; F398-F402 WeakPolarHBondContact O-CB 3.49Å; F398-F402 PolarHBondContact O-N 3.47Å; F400-F402 PolarHBondContact O-N 3.11Å; F402-I406 HydrophobicContact CD2-CB 4.26Å; F402-I406 HydrophobicContact CD2-CG2 4.2Å; F402-I406 HydrophobicContact CE2-CG2 4.48Å; F402-L407 WeakPolarHBondContact O-CB 3.39Å; F402-L407 PolarHBondContact O-N 3.04Å; F402-I418 HydrophobicContact CE2-CG2 4.37Å; F402-I418 HydrophobicContact CZ-CG2 4.09Å; F402-T423 HydrophobicContact CZ-CG2 4.48Å
403	Y	94.5	Very high	93.3	Very high	25 Å²	25	22.7 Å²	22.7	10%	0.098	12%	0.121	C	C	.	.	I	π-helix	trans	-80.8	-26.7	-172.7	-61.5	-69.4	0	0	0	114.4	F398 T399 L407 P408 P427	F398-Y403 HydrophobicContact CE1-CE2 4.34Å; T399-Y403 HydrophobicContact CG2-CD2 4.04Å; T399-Y403 WeakPolarHBondContact O-CB 3.37Å; T399-Y403 VanDerWaalsContact O-CD2 3.3Å; T399-Y403 WeakPolarHBondContact O-CD2 3.27Å; T399-Y403 PolarHBondContact O-N 3.45Å; Y403-L407 HydrophobicContact CD1-CD2 4.18Å; Y403-P408 WeakPolarHBondContact O-CD 3.45Å; Y403-P427 HydrophobicContact CE1-CG 4Å; Y403-P427 WeakPolarHBondContact OH-CG 3.29Å
404	C	95	Very high	92.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.15	C	C	.	.	I	π-helix	trans	-106.8	-10.1	-176.5	-52.8	0	0	0	0	114	F400 Y515 I516 F542	F400-C404 HydrophobicContact CD2-CB 3.75Å; F400-C404 HydrophobicContact CE2-CB 3.79Å; F400-C404 WeakPolarHBondContact O-CA 3.49Å; F400-C404 WeakPolarHBondContact O-CB 3.44Å; F400-C404 PolarHBondContact O-N 3.24Å; C404-Y515 WeakPolarHBondContact O-CE1 3.33Å; C404-I516 HydrophobicContact CB-CD1 4.22Å; C404-F542 HydrophobicContact CB-CE2 4.36Å; C404-F542 HydrophobicContact CB-CZ 4.36Å
405	V	94.6	Very high	92.2	Very high	51 Å²	51	30 Å²	30	31%	0.309	16%	0.163	S	C	.	.	I	π-helix	trans	-126.2	-60.9	179.7	-173.8	0	0	0	0	112	F400 I401 T409 Y515	F400-V405 HydrophobicContact CE1-CG2 4.13Å; F400-V405 HydrophobicContact CZ-CG2 4.25Å; I401-V405 CarbonylContact O-C 3.56Å; I401-V405 WeakPolarHBondContact O-CA 3.43Å; I401-V405 VanDerWaalsContact O-CB 3.29Å; I401-V405 WeakPolarHBondContact O-CB 3.48Å; I401-V405 PolarHBondContact O-N 2.92Å; V405-T409 WeakPolarHBondContact O-CB 3.35Å; V405-T409 PolarHBondContact O-N 2.69Å; V405-T409 PolarHBondContact O-OG1 2.63Å; V405-Y515 PolarHBondContact O-OH 2.77Å
406	I	94	Very high	91.9	Very high	11 Å²	11	29 Å²	29	6%	0.056	16%	0.157	C	C	.	.	I	π-helix	trans	-67.2	-49.2	-175.6	-61.7	-62.7	0	0	0	111.2	F66 L69 V70 I401 F402 T409 S410 I418	F66-I406 HydrophobicContact CE2-CD1 3.99Å; F66-I406 HydrophobicContact CE2-CG2 4.24Å; F66-I406 HydrophobicContact CZ-CG2 4.03Å; F66-I406 WeakPolarHBondContact CZ-O 3.17Å; L69-I406 HydrophobicContact CB-CD1 4.11Å; L69-I406 HydrophobicContact CD1-CD1 4.3Å; V70-I406 HydrophobicContact CG2-CG2 3.67Å; I401-I406 HydrophobicContact CG2-CG1 3.88Å; I401-I406 WeakPolarHBondContact O-CG1 3.22Å; I401-I406 PolarHBondContact O-N 2.91Å; F402-I406 HydrophobicContact CD2-CB 4.26Å; F402-I406 HydrophobicContact CD2-CG2 4.2Å; F402-I406 HydrophobicContact CE2-CG2 4.48Å; I406-T409 PolarHBondContact O-N 2.7Å; I406-S410 PolarHBondContact O-N 3.09Å; I406-I418 HydrophobicContact CG2-CD1 4.48Å
407	L	93.1	Very high	91.7	Very high	7 Å²	7	35 Å²	35	4%	0.037	19%	0.19	C	C	.	.	H	α-helix	trans	-65.3	-43.5	-178.9	-177.3	65.2	0	0	0	112.7	F402 Y403 S410 I418 T423 L531 Y534	F402-L407 WeakPolarHBondContact O-CB 3.39Å; F402-L407 PolarHBondContact O-N 3.04Å; Y403-L407 HydrophobicContact CD1-CD2 4.18Å; L407-S410 PolarHBondContact O-N 3.36Å; L407-S410 PolarHBondContact O-OG 3.08Å; L407-I418 HydrophobicContact CD1-CD1 4.07Å; L407-T423 HydrophobicContact CD1-CG2 3.69Å; L407-T423 HydrophobicContact CD2-CG2 4.4Å; L407-L531 HydrophobicContact CD1-CD1 3.86Å; L407-L531 HydrophobicContact CD1-CD2 3.96Å; L407-L531 HydrophobicContact CD2-CD1 3.97Å; L407-L531 HydrophobicContact CG-CD1 3.83Å; L407-L531 HydrophobicContact CG-CD2 4.37Å; L407-Y534 HydrophobicContact CD2-CD1 4.25Å; L407-Y534 HydrophobicContact CD2-CE1 3.82Å
408	P	93.3	Very high	91.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-63.8	-38.7	169.8	-23.3	33.6	0	0	0	113	Y403 S410 V411 Y515 I516 C519 L535	Y403-P408 WeakPolarHBondContact O-CD 3.45Å; P408-S410 VanDerWaalsContact C-N 3.27Å; P408-S410 PolarHBondContact O-N 3.3Å; P408-V411 WeakPolarHBondContact O-CG2 3.4Å; P408-Y515 HydrophobicContact CB-CE1 4.17Å; P408-I516 HydrophobicContact CB-CG1 4.46Å; P408-I516 HydrophobicContact CG-CG1 4.13Å; P408-C519 HydrophobicContact CB-CB 3.97Å; P408-L535 HydrophobicContact CB-CD2 3.89Å; P408-L535 HydrophobicContact CG-CD2 3.66Å
409	T	91.9	Very high	91.4	Very high	28 Å²	28	36.1 Å²	36.1	17%	0.172	20%	0.197	C	C	.	.	H	α-helix	trans	-66.2	-28.5	178.9	-61.8	0	0	0	0	112.5	F66 V405 I406 V411 F412 F413 Y515	F66-T409 HydrophobicContact CD2-CG2 4.3Å; F66-T409 HydrophobicContact CE2-CG2 3.55Å; F66-T409 HydrophobicContact CZ-CG2 3.91Å; V405-T409 WeakPolarHBondContact O-CB 3.35Å; V405-T409 PolarHBondContact O-N 2.69Å; V405-T409 PolarHBondContact O-OG1 2.63Å; I406-T409 PolarHBondContact O-N 2.7Å; T409-V411 PolarHBondContact O-N 3.21Å; T409-F412 WeakPolarHBondContact O-CD2 3.33Å; T409-F412 PolarHBondContact O-N 2.77Å; T409-F413 HydrophobicContact CG2-CD2 3.95Å; T409-F413 HydrophobicContact CG2-CE2 3.61Å; T409-F413 WeakPolarHBondContact O-CD2 3.27Å; T409-Y515 PolarHBondContact OG1-OH 2.92Å
410	S	91.6	Very high	91.2	Very high	16 Å²	16	37.5 Å²	37.5	11%	0.112	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-62.4	-19	-175.9	74.9	0	0	0	0	113.4	I406 L407 P408 F412 F413	I406-S410 PolarHBondContact O-N 3.09Å; L407-S410 PolarHBondContact O-N 3.36Å; L407-S410 PolarHBondContact O-OG 3.08Å; P408-S410 VanDerWaalsContact C-N 3.27Å; P408-S410 PolarHBondContact O-N 3.3Å; S410-F412 PolarHBondContact O-N 3.48Å; S410-F413 CarbonylContact O-C 3.55Å; S410-F413 PolarHBondContact O-N 3.09Å
411	V	88.9	Confident	91.1	Very high	24 Å²	24	40 Å²	40	15%	0.145	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-58.9	-27.7	173.6	-54.3	0	0	0	0	112.5	P408 T409 C519 Y522 L531 L535	P408-V411 WeakPolarHBondContact O-CG2 3.4Å; T409-V411 PolarHBondContact O-N 3.21Å; V411-C519 HydrophobicContact CG2-CB 4.16Å; V411-Y522 HydrophobicContact CB-CD1 4.11Å; V411-Y522 HydrophobicContact CG2-CD1 3.79Å; V411-Y522 HydrophobicContact CG2-CG 4.49Å; V411-Y522 VanDerWaalsContact O-CE1 3.29Å; V411-Y522 WeakPolarHBondContact O-CE1 3.42Å; V411-L531 HydrophobicContact CG1-CD2 4.21Å; V411-L535 HydrophobicContact CG1-CD1 3.83Å
412	F	86.5	Confident	90.9	Very high	46 Å²	46	37 Å²	37	20%	0.202	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-85.2	-10.1	178.1	-56.3	-66.9	0	0	0	113.6	L11 R58 T409 S410 P414 C519 Y522	L11-F412 HydrophobicContact CD1-CZ 4.07Å; R58-F412 PolarHBondContact NH2-O 3.41Å; R58-F412 VanDerWaalsContact NH2-O 3.08Å; T409-F412 WeakPolarHBondContact O-CD2 3.33Å; T409-F412 PolarHBondContact O-N 2.77Å; S410-F412 PolarHBondContact O-N 3.48Å; F412-P414 VanDerWaalsContact C-CD 3.44Å; F412-P414 VanDerWaalsContact O-CD 3.32Å; F412-P414 WeakPolarHBondContact O-CD 3.41Å; F412-C519 VanDerWaalsContact CE2-SG 3.59Å; F412-Y522 AromaticContact CD1-CD1 3.83Å; F412-Y522 HydrophobicContact CD1-CD1 3.83Å; F412-Y522 HydrophobicContact CD1-CD2 4.09Å; F412-Y522 AromaticContact CD1-CE1 3.79Å; F412-Y522 HydrophobicContact CD1-CE1 3.79Å; F412-Y522 HydrophobicContact CD1-CE2 4.03Å; F412-Y522 AromaticContact CD1-CG 3.99Å; F412-Y522 HydrophobicContact CD1-CG 3.99Å; F412-Y522 AromaticContact CD1-CZ 3.88Å; F412-Y522 AromaticContact CE1-CD1 3.79Å; F412-Y522 HydrophobicContact CE1-CD1 3.79Å; F412-Y522 AromaticContact CE1-CD2 3.62Å; F412-Y522 HydrophobicContact CE1-CD2 3.62Å; F412-Y522 HydrophobicContact CE1-CE1 4.18Å; F412-Y522 HydrophobicContact CE1-CE2 4.01Å; F412-Y522 AromaticContact CE1-CG 3.49Å; F412-Y522 HydrophobicContact CE1-CG 3.49Å; F412-Y522 VanDerWaalsContact CE1-CG 3.49Å; F412-Y522 HydrophobicContact CZ-CG 4.33Å
413	F	87.2	Confident	90.7	Very high	24 Å²	24	39.2 Å²	39.2	11%	0.105	22%	0.217	C	C	.	.			trans	-122.1	68.8	-174.8	-65.1	-79.5	0	0	0	111	I62 V63 F66 T409 S410 E415 V416	I62-F413 HydrophobicContact CG2-CE1 3.58Å; I62-F413 HydrophobicContact CG2-CZ 3.55Å; V63-F413 HydrophobicContact CG2-CD1 4Å; V63-F413 HydrophobicContact CG2-CE1 4.22Å; F66-F413 HydrophobicContact CD1-CB 3.94Å; F66-F413 HydrophobicContact CD1-CD1 4.45Å; F66-F413 AromaticContact CD1-CD2 3.77Å; F66-F413 HydrophobicContact CD1-CD2 3.77Å; F66-F413 HydrophobicContact CD1-CE2 4.41Å; F66-F413 AromaticContact CD1-CG 3.79Å; F66-F413 HydrophobicContact CD1-CG 3.79Å; F66-F413 HydrophobicContact CD2-CD2 4.34Å; F66-F413 HydrophobicContact CD2-CE2 4.29Å; F66-F413 HydrophobicContact CE1-CB 4.02Å; F66-F413 AromaticContact CE1-CD2 3.82Å; F66-F413 HydrophobicContact CE1-CD2 3.82Å; F66-F413 HydrophobicContact CE1-CG 4.1Å; F66-F413 HydrophobicContact CE2-CD2 4.38Å; F66-F413 HydrophobicContact CG-CD2 4.05Å; F66-F413 HydrophobicContact CG-CE2 4.24Å; F66-F413 HydrophobicContact CG-CG 4.29Å; F66-F413 HydrophobicContact CZ-CD2 4.13Å; T409-F413 HydrophobicContact CG2-CD2 3.95Å; T409-F413 HydrophobicContact CG2-CE2 3.61Å; T409-F413 WeakPolarHBondContact O-CD2 3.27Å; S410-F413 CarbonylContact O-C 3.55Å; S410-F413 PolarHBondContact O-N 3.09Å; F413-E415 VanDerWaalsContact C-OE2 3.29Å; F413-E415 WeakPolarHBondContact CA-OE2 3.19Å; F413-E415 PolarHBondContact O-N 2.86Å; F413-V416 HydrophobicContact CB-CB 4.29Å; F413-V416 HydrophobicContact CB-CG2 4.13Å; F413-V416 PolarHBondContact O-N 3.36Å
414	P	83.5	Confident	90.4	Very high	108 Å²	108	44.2 Å²	44.2	70%	0.701	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-19.2	177.6	26.4	-35.9	0	0	0	113.2	F412 V416	F412-P414 VanDerWaalsContact C-CD 3.44Å; F412-P414 VanDerWaalsContact O-CD 3.32Å; F412-P414 WeakPolarHBondContact O-CD 3.41Å; P414-V416 PolarHBondContact O-N 2.85Å
415	E	84.6	Confident	90.3	Very high	86 Å²	86	50.9 Å²	50.9	40%	0.402	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-7.7	175.8	-46.1	92.4	146.6	0	0	113.5	R58 V63 K67 F413	R58-E415 IonicContact CZ-OE1 3.43Å; R58-E415 IonicContact NE-OE1 3.27Å; R58-E415 PolarHBondContact NE-OE1 2.65Å; R58-E415 IonicContact NH2-OE1 2.84Å; R58-E415 PolarHBondContact NH2-OE1 3.21Å; R58-E415 IonicContact NH2-OE2 3.17Å; R58-E415 PolarHBondContact NH2-OE2 3.49Å; V63-E415 HydrophobicContact CG1-CB 4.33Å; K67-E415 WeakPolarHBondContact CE-O 3.38Å; F413-E415 VanDerWaalsContact C-OE2 3.29Å; F413-E415 WeakPolarHBondContact CA-OE2 3.19Å; F413-E415 PolarHBondContact O-N 2.86Å
416	V	87.7	Confident	90.3	Very high	14 Å²	14	48.9 Å²	48.9	9%	0.085	25%	0.253	C	S	.	.			trans	-117.7	102.3	-176.9	-175.2	0	0	0	0	109.8	V63 F66 K67 V70 F413 P414	V63-V416 HydrophobicContact CG1-CG2 4.23Å; F66-V416 HydrophobicContact CD1-CB 4.18Å; F66-V416 HydrophobicContact CD1-CG1 4.12Å; F66-V416 HydrophobicContact CD1-CG2 4Å; F66-V416 HydrophobicContact CE1-CB 4.4Å; F66-V416 HydrophobicContact CE1-CG1 4.28Å; K67-V416 HydrophobicContact CD-CG2 4.34Å; K67-V416 HydrophobicContact CG-CB 4.45Å; K67-V416 HydrophobicContact CG-CG1 4.18Å; K67-V416 HydrophobicContact CG-CG2 3.52Å; V70-V416 HydrophobicContact CB-CG1 4.32Å; V70-V416 HydrophobicContact CG1-CG1 4.4Å; V70-V416 HydrophobicContact CG2-CG1 3.95Å; F413-V416 HydrophobicContact CB-CB 4.29Å; F413-V416 HydrophobicContact CB-CG2 4.13Å; F413-V416 PolarHBondContact O-N 3.36Å; P414-V416 PolarHBondContact O-N 2.85Å
417	N	87.9	Confident	90.2	Very high	145 Å²	145	49.5 Å²	49.5	78%	0.775	26%	0.258	S	S	*	.	P	Polyproline II helix	trans	-84.1	116.4	176.5	-169.3	-7.1	0	0	0	110.3
418	I	91.1	Very high	90.1	Very high	20 Å²	20	51.2 Å²	51.2	10%	0.103	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-89.6	117.8	171.4	-56.7	-179	0	0	0	107.8	V70 L74 F402 I406 L407 S422 T423	V70-I418 HydrophobicContact CG1-CG1 4Å; V70-I418 HydrophobicContact CG2-CD1 4.29Å; V70-I418 HydrophobicContact CG2-CG1 4.33Å; L74-I418 HydrophobicContact CD2-CG2 4.48Å; F402-I418 HydrophobicContact CE2-CG2 4.37Å; F402-I418 HydrophobicContact CZ-CG2 4.09Å; I406-I418 HydrophobicContact CG2-CD1 4.48Å; L407-I418 HydrophobicContact CD1-CD1 4.07Å; I418-S422 WeakPolarHBondContact CG2-OG 3.48Å; I418-T423 HydrophobicContact CB-CG2 4.44Å; I418-T423 HydrophobicContact CG2-CG2 3.57Å
419	P	92.7	Very high	90.1	Very high	32 Å²	32	55.4 Å²	55.4	21%	0.208	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-67.9	141	-172.2	28.7	-36.9	0	0	0	112.4	L74 W421 S422	L74-P419 HydrophobicContact CD1-CG 3.92Å; L74-P419 HydrophobicContact CD2-CG 3.82Å; P419-W421 HydrophobicContact CB-CG 4.28Å; P419-W421 VanDerWaalsContact CB-NE1 3.3Å; P419-W421 HydrophobicContact CG-CD2 4.3Å; P419-W421 HydrophobicContact CG-CZ2 3.82Å; P419-W421 VanDerWaalsContact CG-NE1 3.31Å; P419-W421 PolarHBondContact O-N 3.39Å; P419-S422 PolarHBondContact O-N 2.96Å; P419-S422 PolarHBondContact O-OG 3.29Å
420	A	91.2	Very high	90.1	Very high	54 Å²	54	56.1 Å²	56.1	45%	0.446	29%	0.294	S	S	.	.	H	α-helix	trans	-57.4	-26.3	-177	0	0	0	0	0	114.2	S422 T423 F424 Y425	A420-S422 PolarHBondContact O-N 2.9Å; A420-T423 WeakPolarHBondContact CA-OG1 3.13Å; A420-T423 PolarHBondContact O-N 3.01Å; A420-T423 PolarHBondContact O-OG1 2.92Å; A420-F424 WeakPolarHBondContact O-CB 3.24Å; A420-F424 PolarHBondContact O-N 3.25Å; A420-Y425 HydrophobicContact CB-CE2 4.39Å; A420-Y425 PolarHBondContact O-N 3.48Å
421	W	93.7	Very high	90.2	Very high	86 Å²	86	56 Å²	56	33%	0.326	29%	0.292	S	S	.	.	I	π-helix	trans	-64	-31.1	176.3	65.5	-107.1	0	0	0	113.1	L74 L78 P419 Y425 I426	L74-W421 HydrophobicContact CB-CH2 3.86Å; L74-W421 HydrophobicContact CB-CZ2 4.24Å; L74-W421 HydrophobicContact CD1-CZ2 4.41Å; L74-W421 HydrophobicContact CD2-CH2 3.88Å; L74-W421 HydrophobicContact CD2-CZ2 4.01Å; L74-W421 HydrophobicContact CG-CH2 4.37Å; L74-W421 HydrophobicContact CG-CZ2 4.44Å; L78-W421 HydrophobicContact CD1-CH2 3.97Å; L78-W421 HydrophobicContact CD1-CZ3 4.42Å; L78-W421 HydrophobicContact CD2-CE3 4.33Å; L78-W421 HydrophobicContact CD2-CH2 4.1Å; L78-W421 HydrophobicContact CD2-CZ3 3.73Å; L78-W421 HydrophobicContact CG-CH2 3.8Å; L78-W421 HydrophobicContact CG-CZ3 3.77Å; P419-W421 HydrophobicContact CB-CG 4.28Å; P419-W421 VanDerWaalsContact CB-NE1 3.3Å; P419-W421 HydrophobicContact CG-CD2 4.3Å; P419-W421 HydrophobicContact CG-CZ2 3.82Å; P419-W421 VanDerWaalsContact CG-NE1 3.31Å; P419-W421 PolarHBondContact O-N 3.39Å; W421-Y425 VanDerWaalsContact CA-CD2 3.43Å; W421-Y425 HydrophobicContact CB-CD2 3.8Å; W421-I426 HydrophobicContact CE3-CD1 3.4Å; W421-I426 HydrophobicContact CE3-CG1 4.17Å; W421-I426 HydrophobicContact CZ3-CD1 3.5Å; W421-I426 VanDerWaalsContact CZ3-CD1 3.5Å; W421-I426 WeakPolarHBondContact O-CB 3.39Å; W421-I426 WeakPolarHBondContact O-CG1 3.12Å; W421-I426 PolarHBondContact O-N 2.85Å
422	S	91.3	Very high	90.3	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.305	C	S	.	.	I	π-helix	trans	-83.6	-31.4	-179.9	68.6	0	0	0	0	112.8	L74 I418 P419 A420 P427	L74-S422 VanDerWaalsContact CD2-OG 3.23Å; L74-S422 WeakPolarHBondContact CD2-OG 3.34Å; I418-S422 WeakPolarHBondContact CG2-OG 3.48Å; P419-S422 PolarHBondContact O-N 2.96Å; P419-S422 PolarHBondContact O-OG 3.29Å; A420-S422 PolarHBondContact O-N 2.9Å; S422-P427 WeakPolarHBondContact O-CD 3.29Å; S422-P427 VanDerWaalsContact O-CG 3.25Å; S422-P427 WeakPolarHBondContact O-CG 3.5Å
423	T	89.5	Confident	90.6	Very high	46 Å²	46	57.1 Å²	57.1	28%	0.282	30%	0.301	S	S	.	.	I	π-helix	trans	-92.9	-29.8	-175.9	52.2	0	0	0	0	113.1	F402 L407 I418 A420	F402-T423 HydrophobicContact CZ-CG2 4.48Å; L407-T423 HydrophobicContact CD1-CG2 3.69Å; L407-T423 HydrophobicContact CD2-CG2 4.4Å; I418-T423 HydrophobicContact CB-CG2 4.44Å; I418-T423 HydrophobicContact CG2-CG2 3.57Å; A420-T423 WeakPolarHBondContact CA-OG1 3.13Å; A420-T423 PolarHBondContact O-N 3.01Å; A420-T423 PolarHBondContact O-OG1 2.92Å
424	F	90.2	Very high	90.7	Very high	130 Å²	130	56.7 Å²	56.7	57%	0.57	30%	0.299	S	S	*	.	I	π-helix	trans	-121.2	-57.7	-175	-170.4	-101.8	0	0	0	113.1	A420 P427 S428	A420-F424 WeakPolarHBondContact O-CB 3.24Å; A420-F424 PolarHBondContact O-N 3.25Å; F424-P427 WeakPolarHBondContact O-CD 3.39Å; F424-S428 WeakPolarHBondContact O-CB 3.31Å; F424-S428 PolarHBondContact O-N 3.04Å; F424-S428 PolarHBondContact O-OG 2.72Å
425	Y	92.8	Very high	91.1	Very high	140 Å²	140	51.7 Å²	51.7	55%	0.549	27%	0.267	S	S	.	.	I	π-helix	trans	-66.8	-54.6	-171.1	-56.1	-47	0	0	0	113.4	A420 W421 S428 M429	A420-Y425 HydrophobicContact CB-CE2 4.39Å; A420-Y425 PolarHBondContact O-N 3.48Å; W421-Y425 VanDerWaalsContact CA-CD2 3.43Å; W421-Y425 HydrophobicContact CB-CD2 3.8Å; Y425-S428 PolarHBondContact O-N 3.39Å; Y425-M429 VanDerWaalsContact O-CG 3.3Å; Y425-M429 WeakPolarHBondContact O-CG 3.47Å; Y425-M429 PolarHBondContact O-N 3.28Å
426	I	93.2	Very high	91.3	Very high	9 Å²	9	52.1 Å²	52.1	5%	0.046	27%	0.271	C	S	.	.	H	α-helix	trans	-59	-50.6	178.9	-75.8	-179.1	0	0	0	111.6	L78 F81 W421 S428 M429 I430	L78-I426 HydrophobicContact CD2-CD1 3.89Å; F81-I426 HydrophobicContact CB-CD1 4Å; F81-I426 HydrophobicContact CB-CG1 4.26Å; F81-I426 HydrophobicContact CB-CG2 3.77Å; F81-I426 HydrophobicContact CD1-CD1 4.31Å; F81-I426 HydrophobicContact CD1-CG1 4.26Å; F81-I426 HydrophobicContact CD2-CB 4.31Å; F81-I426 HydrophobicContact CD2-CG1 4.07Å; F81-I426 HydrophobicContact CD2-CG2 3.88Å; F81-I426 HydrophobicContact CG-CD1 4.09Å; F81-I426 HydrophobicContact CG-CG1 3.93Å; F81-I426 HydrophobicContact CG-CG2 4.03Å; W421-I426 HydrophobicContact CE3-CD1 3.4Å; W421-I426 HydrophobicContact CE3-CG1 4.17Å; W421-I426 HydrophobicContact CZ3-CD1 3.5Å; W421-I426 VanDerWaalsContact CZ3-CD1 3.5Å; W421-I426 WeakPolarHBondContact O-CB 3.39Å; W421-I426 WeakPolarHBondContact O-CG1 3.12Å; W421-I426 PolarHBondContact O-N 2.85Å; I426-S428 VanDerWaalsContact C-N 3.29Å; I426-S428 PolarHBondContact O-N 3.06Å; I426-M429 PolarHBondContact O-N 2.7Å; I426-I430 HydrophobicContact CG2-CD1 3.66Å; I426-I430 HydrophobicContact CG2-CG1 4.35Å; I426-I430 WeakPolarHBondContact O-CG1 3.4Å; I426-I430 PolarHBondContact O-N 3.41Å
427	P	91.5	Very high	91.3	Very high	24 Å²	24	52 Å²	52	16%	0.156	27%	0.271	C	S	.	.	H	α-helix	trans	-64	-36.6	-178.4	-24.8	38.3	0	0	0	112.1	Y403 S422 F424 T431	Y403-P427 HydrophobicContact CE1-CG 4Å; Y403-P427 WeakPolarHBondContact OH-CG 3.29Å; S422-P427 WeakPolarHBondContact O-CD 3.29Å; S422-P427 VanDerWaalsContact O-CG 3.25Å; S422-P427 WeakPolarHBondContact O-CG 3.5Å; F424-P427 WeakPolarHBondContact O-CD 3.39Å; P427-T431 VanDerWaalsContact O-CB 3.26Å; P427-T431 WeakPolarHBondContact O-CB 3.31Å; P427-T431 PolarHBondContact O-N 2.93Å; P427-T431 PolarHBondContact O-OG1 2.94Å
428	S	92.4	Very high	91.4	Very high	44 Å²	44	45.2 Å²	45.2	31%	0.308	24%	0.235	S	C	.	.	H	α-helix	trans	-64.9	-41.7	175.7	-61.1	0	0	0	0	111.8	F424 Y425 I426 T431 L432	F424-S428 WeakPolarHBondContact O-CB 3.31Å; F424-S428 PolarHBondContact O-N 3.04Å; F424-S428 PolarHBondContact O-OG 2.72Å; Y425-S428 PolarHBondContact O-N 3.39Å; I426-S428 VanDerWaalsContact C-N 3.29Å; I426-S428 PolarHBondContact O-N 3.06Å; S428-T431 PolarHBondContact O-N 3Å; S428-L432 WeakPolarHBondContact O-CB 3.43Å; S428-L432 PolarHBondContact O-N 3.44Å
429	M	93.2	Very high	91.3	Very high	88 Å²	88	48.8 Å²	48.8	43%	0.433	26%	0.259	S	S	.	.	H	α-helix	trans	-66.5	-44.9	176.5	-69.8	-61.7	97.6	0	0	112.2	F81 Y425 I426 T431 L432 C433	F81-M429 HydrophobicContact CE2-CB 3.77Å; F81-M429 HydrophobicContact CE2-CG 4.44Å; Y425-M429 VanDerWaalsContact O-CG 3.3Å; Y425-M429 WeakPolarHBondContact O-CG 3.47Å; Y425-M429 PolarHBondContact O-N 3.28Å; I426-M429 PolarHBondContact O-N 2.7Å; M429-T431 VanDerWaalsContact C-N 3.3Å; M429-T431 PolarHBondContact O-N 3.26Å; M429-L432 HydrophobicContact CE-CD2 4.12Å; M429-L432 PolarHBondContact O-N 3.4Å; M429-C433 PolarHBondContact O-N 2.86Å; M429-C433 PolarHBondContact O-SG 3.24Å; M429-C433 VanDerWaalsContact O-SG 3.36Å
430	I	92.3	Very high	91.2	Very high	42 Å²	42	53.1 Å²	53.1	22%	0.215	27%	0.272	C	S	.	.	H	α-helix	trans	-59.5	-45	174.7	-67.2	170.7	0	0	0	110.1	V80 F81 I426 L432 C433 I434	V80-I430 HydrophobicContact CG1-CD1 4.21Å; F81-I430 HydrophobicContact CD2-CD1 4.42Å; F81-I430 HydrophobicContact CD2-CG1 4.06Å; I426-I430 HydrophobicContact CG2-CD1 3.66Å; I426-I430 HydrophobicContact CG2-CG1 4.35Å; I426-I430 WeakPolarHBondContact O-CG1 3.4Å; I426-I430 PolarHBondContact O-N 3.41Å; I430-L432 VanDerWaalsContact C-N 3.34Å; I430-L432 PolarHBondContact O-N 2.77Å; I430-C433 WeakPolarHBondContact O-CB 3.46Å; I430-C433 PolarHBondContact O-N 2.93Å; I430-I434 HydrophobicContact CG2-CD1 4Å; I430-I434 WeakPolarHBondContact O-CG1 3.36Å; I430-I434 PolarHBondContact O-N 2.8Å; I430-I434 VanDerWaalsContact O-N 3.09Å
431	T	92.6	Very high	91.1	Very high	13 Å²	13	50.6 Å²	50.6	8%	0.08	25%	0.251	C	S	.	.	H	α-helix	trans	-63.8	-41	178.9	-57.1	0	0	0	0	111.3	P427 S428 M429 C433 I434 V435 V445 W448 I449	P427-T431 VanDerWaalsContact O-CB 3.26Å; P427-T431 WeakPolarHBondContact O-CB 3.31Å; P427-T431 PolarHBondContact O-N 2.93Å; P427-T431 PolarHBondContact O-OG1 2.94Å; S428-T431 PolarHBondContact O-N 3Å; M429-T431 VanDerWaalsContact C-N 3.3Å; M429-T431 PolarHBondContact O-N 3.26Å; T431-C433 VanDerWaalsContact C-N 3.34Å; T431-C433 PolarHBondContact O-N 3.27Å; T431-I434 PolarHBondContact O-N 2.94Å; T431-I434 VanDerWaalsContact O-N 3.15Å; T431-V435 HydrophobicContact CG2-CG2 4.1Å; T431-V435 WeakPolarHBondContact O-CG2 3.45Å; T431-V435 PolarHBondContact O-N 2.88Å; T431-V445 HydrophobicContact CG2-CG1 3.68Å; T431-V445 HydrophobicContact CG2-CG2 4.48Å; T431-W448 HydrophobicContact CG2-CE3 4.19Å; T431-W448 HydrophobicContact CG2-CZ3 4.12Å; T431-I449 HydrophobicContact CG2-CD1 4.06Å; T431-I449 HydrophobicContact CG2-CG1 4.04Å
432	L	92.3	Very high	91	Very high	77 Å²	77	52.7 Å²	52.7	40%	0.403	26%	0.262	S	S	.	.	H	α-helix	trans	-59.4	-44.8	175.5	-176.6	63	0	0	0	111.4	S428 M429 I430 I434 V435 I436	S428-L432 WeakPolarHBondContact O-CB 3.43Å; S428-L432 PolarHBondContact O-N 3.44Å; M429-L432 HydrophobicContact CE-CD2 4.12Å; M429-L432 PolarHBondContact O-N 3.4Å; I430-L432 VanDerWaalsContact C-N 3.34Å; I430-L432 PolarHBondContact O-N 2.77Å; L432-I434 VanDerWaalsContact C-N 3.3Å; L432-I434 PolarHBondContact O-N 3.45Å; L432-V435 PolarHBondContact O-N 2.72Å; L432-I436 HydrophobicContact CG-CD1 4.2Å; L432-I436 VanDerWaalsContact O-CG1 3.26Å; L432-I436 WeakPolarHBondContact O-CG1 3.47Å; L432-I436 PolarHBondContact O-N 3.41Å
433	C	91.2	Very high	91	Very high	18 Å²	18	59.2 Å²	59.2	12%	0.122	29%	0.288	C	S	.	.	H	α-helix	trans	-57.9	-41.3	174.6	-67.6	0	0	0	0	112.5	Y270 M429 I430 T431	Y270-C433 HydrophobicContact CE2-CB 4.1Å; M429-C433 PolarHBondContact O-N 2.86Å; M429-C433 PolarHBondContact O-SG 3.24Å; M429-C433 VanDerWaalsContact O-SG 3.36Å; I430-C433 WeakPolarHBondContact O-CB 3.46Å; I430-C433 PolarHBondContact O-N 2.93Å; T431-C433 VanDerWaalsContact C-N 3.34Å; T431-C433 PolarHBondContact O-N 3.27Å
434	I	90.4	Very high	91.2	Very high	14 Å²	14	57.3 Å²	57.3	7%	0.072	28%	0.276	C	S	.	.	H	α-helix	trans	-65.9	-42.1	177.9	-67.5	169.5	0	0	0	111.1	Y270 I430 T431 L432 I436 A437 W448	Y270-I434 HydrophobicContact CD1-CD1 4.44Å; Y270-I434 HydrophobicContact CD1-CG1 3.75Å; Y270-I434 HydrophobicContact CD2-CB 4.25Å; Y270-I434 HydrophobicContact CD2-CG1 3.8Å; Y270-I434 HydrophobicContact CE1-CG1 4Å; Y270-I434 HydrophobicContact CE2-CG1 4.04Å; Y270-I434 HydrophobicContact CG-CB 4.23Å; Y270-I434 HydrophobicContact CG-CG1 3.63Å; Y270-I434 HydrophobicContact CG-CG2 4.44Å; I430-I434 HydrophobicContact CG2-CD1 4Å; I430-I434 WeakPolarHBondContact O-CG1 3.36Å; I430-I434 PolarHBondContact O-N 2.8Å; I430-I434 VanDerWaalsContact O-N 3.09Å; T431-I434 PolarHBondContact O-N 2.94Å; T431-I434 VanDerWaalsContact O-N 3.15Å; L432-I434 VanDerWaalsContact C-N 3.3Å; L432-I434 PolarHBondContact O-N 3.45Å; I434-I436 PolarHBondContact O-N 2.91Å; I434-A437 WeakPolarHBondContact O-CB 3.25Å; I434-A437 PolarHBondContact O-N 2.73Å; I434-A437 VanDerWaalsContact O-N 3.12Å; I434-W448 HydrophobicContact CB-CH2 4.47Å; I434-W448 HydrophobicContact CD1-CH2 3.24Å; I434-W448 HydrophobicContact CD1-CZ2 3.8Å; I434-W448 HydrophobicContact CD1-CZ3 4.07Å; I434-W448 HydrophobicContact CG1-CH2 4.39Å; I434-W448 HydrophobicContact CG2-CH2 4.06Å; I434-W448 HydrophobicContact CG2-CZ2 3.77Å
435	V	90.7	Very high	91.3	Very high	3 Å²	3	52.5 Å²	52.5	2%	0.018	26%	0.257	C	S	.	.	H	α-helix	trans	-72.6	-31.3	-176.1	179.4	0	0	0	0	112	M266 T431 L432 A437 T438 F442 V445	M266-V435 HydrophobicContact CE-CG2 3.92Å; T431-V435 HydrophobicContact CG2-CG2 4.1Å; T431-V435 WeakPolarHBondContact O-CG2 3.45Å; T431-V435 PolarHBondContact O-N 2.88Å; L432-V435 PolarHBondContact O-N 2.72Å; V435-A437 PolarHBondContact O-N 2.85Å; V435-T438 CarbonylContact O-C 3.59Å; V435-T438 WeakPolarHBondContact O-CA 3.23Å; V435-T438 PolarHBondContact O-N 3.16Å; V435-F442 HydrophobicContact CG1-CB 3.87Å; V435-F442 HydrophobicContact CG1-CD2 3.4Å; V435-F442 VanDerWaalsContact CG1-CD2 3.4Å; V435-F442 HydrophobicContact CG1-CE2 4.3Å; V435-F442 HydrophobicContact CG1-CG 4.04Å; V435-V445 HydrophobicContact CB-CG2 4.32Å; V435-V445 HydrophobicContact CG1-CG2 4.12Å; V435-V445 HydrophobicContact CG2-CG2 3.28Å
436	I	89.7	Confident	91.3	Very high	95 Å²	95	50.7 Å²	50.7	49%	0.487	26%	0.256	S	S	.	.	H	α-helix	trans	-57	-29.9	171.1	-71.4	164.3	0	0	0	111.1	L432 I434 T438 P439	L432-I436 HydrophobicContact CG-CD1 4.2Å; L432-I436 VanDerWaalsContact O-CG1 3.26Å; L432-I436 WeakPolarHBondContact O-CG1 3.47Å; L432-I436 PolarHBondContact O-N 3.41Å; I434-I436 PolarHBondContact O-N 2.91Å; I436-T438 VanDerWaalsContact C-N 3.28Å; I436-T438 PolarHBondContact O-N 2.89Å; I436-P439 WeakPolarHBondContact O-CD 3.41Å; I436-P439 WeakPolarHBondContact O-CG 3.26Å
437	A	87.5	Confident	91.4	Very high	11 Å²	11	55.6 Å²	55.6	9%	0.091	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-22.7	174.9	0	0	0	0	0	113.4	N269 Y270 M273 I434 V435	N269-A437 HydrophobicContact CB-CB 4.3Å; Y270-A437 HydrophobicContact CD2-CB 4.44Å; M273-A437 HydrophobicContact CB-CB 4.49Å; M273-A437 HydrophobicContact CE-CB 3.45Å; M273-A437 VanDerWaalsContact CE-CB 3.45Å; M273-A437 HydrophobicContact SD-CB 4.04Å; I434-A437 WeakPolarHBondContact O-CB 3.25Å; I434-A437 PolarHBondContact O-N 2.73Å; I434-A437 VanDerWaalsContact O-N 3.12Å; V435-A437 PolarHBondContact O-N 2.85Å
438	T	89.4	Confident	91.5	Very high	3 Å²	3	55.5 Å²	55.5	2%	0.018	27%	0.274	C	S	.	.	S	Bend	trans	-140	70.6	178.5	-48.2	0	0	0	0	111.3	M266 N269 V435 I436 R440 S441	M266-T438 HydrophobicContact CG-CG2 4.26Å; N269-T438 VanDerWaalsContact CB-OG1 3.26Å; N269-T438 WeakPolarHBondContact CB-OG1 3.41Å; N269-T438 PolarHBondContact ND2-OG1 3.16Å; V435-T438 CarbonylContact O-C 3.59Å; V435-T438 WeakPolarHBondContact O-CA 3.23Å; V435-T438 PolarHBondContact O-N 3.16Å; I436-T438 VanDerWaalsContact C-N 3.28Å; I436-T438 PolarHBondContact O-N 2.89Å; T438-R440 HydrophobicContact CG2-CG 4.01Å; T438-R440 PolarHBondContact O-N 3.29Å; T438-R440 VanDerWaalsContact O-N 3.13Å; T438-S441 WeakPolarHBondContact CG2-OG 3.49Å; T438-S441 PolarHBondContact O-N 3.08Å
439	P	88.7	Confident	91.6	Very high	95 Å²	95	55.9 Å²	55.9	62%	0.617	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-58.5	-34.7	-171.6	-26.3	35.4	0	0	0	113.7	I436 S441 F442	I436-P439 WeakPolarHBondContact O-CD 3.41Å; I436-P439 WeakPolarHBondContact O-CG 3.26Å; P439-S441 PolarHBondContact O-N 2.9Å; P439-F442 WeakPolarHBondContact O-CB 3.48Å; P439-F442 PolarHBondContact O-N 2.75Å; P439-F442 VanDerWaalsContact O-N 3.13Å
440	R	90.8	Very high	91.7	Very high	124 Å²	124	52.5 Å²	52.5	47%	0.468	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-61	-15.4	178.6	66.6	173.2	177.4	84.4	-24.5	114.8	E265 T438 Y443	E265-R440 IonicContact OE1-CZ 3.98Å; E265-R440 IonicContact OE1-NH2 2.72Å; E265-R440 PolarHBondContact OE1-NH2 3.45Å; E265-R440 IonicContact OE2-CZ 2.63Å; E265-R440 IonicContact OE2-NH1 3.05Å; E265-R440 PolarHBondContact OE2-NH1 3.3Å; E265-R440 IonicContact OE2-NH2 3.55Å; E265-R440 PolarHBondContact OE2-NH2 2.94Å; T438-R440 HydrophobicContact CG2-CG 4.01Å; T438-R440 PolarHBondContact O-N 3.29Å; T438-R440 VanDerWaalsContact O-N 3.13Å; R440-Y443 VanDerWaalsContact O-CE1 3.25Å; R440-Y443 WeakPolarHBondContact O-CE1 3.34Å
441	S	89.8	Confident	91.8	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-109.7	15.7	-178	-50.6	0	0	0	0	112.2	M266 T438 P439 Y443 L444	M266-S441 VanDerWaalsContact SD-CB 3.58Å; T438-S441 WeakPolarHBondContact CG2-OG 3.49Å; T438-S441 PolarHBondContact O-N 3.08Å; P439-S441 PolarHBondContact O-N 2.9Å; S441-Y443 PolarHBondContact O-N 2.77Å; S441-L444 WeakPolarHBondContact O-CB 3.43Å; S441-L444 PolarHBondContact O-N 3.03Å
442	F	90.7	Very high	91.9	Very high	131 Å²	131	51.2 Å²	51.2	58%	0.575	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-54.5	-36.9	179.3	-176.6	-85.5	0	0	0	112.8	V435 P439 L444 V445	V435-F442 HydrophobicContact CG1-CB 3.87Å; V435-F442 HydrophobicContact CG1-CD2 3.4Å; V435-F442 VanDerWaalsContact CG1-CD2 3.4Å; V435-F442 HydrophobicContact CG1-CE2 4.3Å; V435-F442 HydrophobicContact CG1-CG 4.04Å; P439-F442 WeakPolarHBondContact O-CB 3.48Å; P439-F442 PolarHBondContact O-N 2.75Å; P439-F442 VanDerWaalsContact O-N 3.13Å; F442-L444 PolarHBondContact O-N 3.3Å; F442-V445 WeakPolarHBondContact O-CB 3.36Å; F442-V445 WeakPolarHBondContact O-CG2 3.31Å; F442-V445 PolarHBondContact O-N 2.78Å
443	Y	92.2	Very high	92	Very high	137 Å²	137	47.9 Å²	47.9	54%	0.537	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-63.9	-12.9	177.1	70.4	-86.4	0	0	0	114	R262 R440 S441	R262-Y443 PolarHBondContact NH1-OH 3.25Å; R440-Y443 VanDerWaalsContact O-CE1 3.25Å; R440-Y443 WeakPolarHBondContact O-CE1 3.34Å; S441-Y443 PolarHBondContact O-N 2.77Å
444	L	93.4	Very high	92.2	Very high	5 Å²	5	47 Å²	47	3%	0.026	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-95.7	0.8	-180	-61.9	-177.6	0	0	0	114.1	L259 R262 M266 S441 F442 I446 F447 W448	L259-L444 HydrophobicContact CD1-CD1 4Å; L259-L444 HydrophobicContact CD1-CD2 3.4Å; L259-L444 HydrophobicContact CD1-CG 4.28Å; R262-L444 HydrophobicContact CB-CD1 3.57Å; R262-L444 HydrophobicContact CG-CD1 4.37Å; M266-L444 HydrophobicContact SD-CB 4.08Å; S441-L444 WeakPolarHBondContact O-CB 3.43Å; S441-L444 PolarHBondContact O-N 3.03Å; F442-L444 PolarHBondContact O-N 3.3Å; L444-I446 VanDerWaalsContact C-N 3.34Å; L444-I446 PolarHBondContact O-N 2.89Å; L444-F447 HydrophobicContact CD2-CD2 4.28Å; L444-F447 PolarHBondContact O-N 3.49Å; L444-F447 VanDerWaalsContact O-N 3.14Å; L444-W448 WeakPolarHBondContact O-CB 3.49Å; L444-W448 PolarHBondContact O-N 3.42Å
445	V	93.4	Very high	92.5	Very high	29 Å²	29	46.3 Å²	46.3	18%	0.176	22%	0.221	C	C	.	.	H	α-helix	trans	-49.8	-50.3	-173.8	163.5	0	0	0	0	113.4	T431 V435 F442 F447 W448 I449	T431-V445 HydrophobicContact CG2-CG1 3.68Å; T431-V445 HydrophobicContact CG2-CG2 4.48Å; V435-V445 HydrophobicContact CB-CG2 4.32Å; V435-V445 HydrophobicContact CG1-CG2 4.12Å; V435-V445 HydrophobicContact CG2-CG2 3.28Å; F442-V445 WeakPolarHBondContact O-CB 3.36Å; F442-V445 WeakPolarHBondContact O-CG2 3.31Å; F442-V445 PolarHBondContact O-N 2.78Å; V445-F447 PolarHBondContact O-N 3.45Å; V445-W448 PolarHBondContact O-N 2.96Å; V445-I449 HydrophobicContact CG1-CD1 4Å; V445-I449 WeakPolarHBondContact O-CG1 3.31Å; V445-I449 PolarHBondContact O-N 3.33Å
446	I	93.1	Very high	92.7	Very high	102 Å²	102	46.2 Å²	46.2	52%	0.523	22%	0.22	S	C	.	.	H	α-helix	trans	-63.7	-47.5	-176.8	-62.5	173.1	0	0	0	109.9	L444 W448 I449 L450 M537	L444-I446 VanDerWaalsContact C-N 3.34Å; L444-I446 PolarHBondContact O-N 2.89Å; I446-W448 VanDerWaalsContact C-N 3.29Å; I446-W448 PolarHBondContact O-N 3.03Å; I446-I449 PolarHBondContact O-N 2.98Å; I446-L450 HydrophobicContact CG2-CD1 4.11Å; I446-L450 VanDerWaalsContact O-CG 3.28Å; I446-L450 WeakPolarHBondContact O-CG 3.15Å; I446-L450 PolarHBondContact O-N 3.34Å; I446-L450 VanDerWaalsContact O-N 3.14Å; I446-M537 HydrophobicContact CG2-SD 4.44Å
447	F	93.4	Very high	92.9	Very high	113 Å²	113	42.7 Å²	42.7	50%	0.496	20%	0.201	S	C	.	.	H	α-helix	trans	-61.1	-40	177.4	-62.9	-68.7	0	0	0	112	L259 M263 L444 V445 L450 F451	L259-F447 HydrophobicContact CD2-CG 4.49Å; M263-F447 HydrophobicContact SD-CB 3.88Å; L444-F447 HydrophobicContact CD2-CD2 4.28Å; L444-F447 PolarHBondContact O-N 3.49Å; L444-F447 VanDerWaalsContact O-N 3.14Å; V445-F447 PolarHBondContact O-N 3.45Å; F447-L450 PolarHBondContact O-N 2.77Å; F447-F451 WeakPolarHBondContact O-CB 3.32Å; F447-F451 PolarHBondContact O-N 3.48Å
448	W	94.5	Very high	93.1	Very high	22 Å²	22	43.1 Å²	43.1	8%	0.083	20%	0.202	C	C	.	.	H	α-helix	trans	-62.9	-46.6	177.9	179.2	88	0	0	0	111.8	M263 M266 S267 T431 I434 L444 V445 I446 L450 F451 E452	M263-W448 HydrophobicContact CG-CB 4.19Å; M263-W448 VanDerWaalsContact O-CD1 3.32Å; M263-W448 PolarHBondContact O-NE1 3.25Å; M263-W448 HydrophobicContact SD-CB 4.37Å; M266-W448 HydrophobicContact CE-CB 4.03Å; M266-W448 HydrophobicContact CE-CD2 4.37Å; M266-W448 HydrophobicContact CE-CG 3.89Å; M266-W448 HydrophobicContact SD-CB 4.2Å; M266-W448 HydrophobicContact SD-CG 4.18Å; S267-W448 PolarHBondContact OG-NE1 2.77Å; T431-W448 HydrophobicContact CG2-CE3 4.19Å; T431-W448 HydrophobicContact CG2-CZ3 4.12Å; I434-W448 HydrophobicContact CB-CH2 4.47Å; I434-W448 HydrophobicContact CD1-CH2 3.24Å; I434-W448 HydrophobicContact CD1-CZ2 3.8Å; I434-W448 HydrophobicContact CD1-CZ3 4.07Å; I434-W448 HydrophobicContact CG1-CH2 4.39Å; I434-W448 HydrophobicContact CG2-CH2 4.06Å; I434-W448 HydrophobicContact CG2-CZ2 3.77Å; L444-W448 WeakPolarHBondContact O-CB 3.49Å; L444-W448 PolarHBondContact O-N 3.42Å; V445-W448 PolarHBondContact O-N 2.96Å; I446-W448 VanDerWaalsContact C-N 3.29Å; I446-W448 PolarHBondContact O-N 3.03Å; W448-L450 PolarHBondContact O-N 2.89Å; W448-F451 PolarHBondContact O-N 3.26Å; W448-E452 HydrophobicContact CD2-CG 3.9Å; W448-E452 VanDerWaalsContact CE2-CG 3.43Å; W448-E452 HydrophobicContact CE3-CG 4.37Å; W448-E452 HydrophobicContact CG-CG 4.41Å; W448-E452 HydrophobicContact CH2-CG 3.94Å; W448-E452 HydrophobicContact CZ2-CG 3.48Å; W448-E452 VanDerWaalsContact CZ2-CG 3.48Å; W448-E452 HydrophobicContact CZ3-CG 4.39Å; W448-E452 WeakPolarHBondContact O-CB 3.4Å; W448-E452 WeakPolarHBondContact O-CG 3.11Å; W448-E452 PolarHBondContact O-N 3.2Å
449	I	94.3	Very high	93.4	Very high	52 Å²	52	44.4 Å²	44.4	27%	0.267	21%	0.206	S	C	.	.	H	α-helix	trans	-57.8	-51.1	176.8	-66.3	167.5	0	0	0	110.3	T431 V445 I446 F451 E452 N453	T431-I449 HydrophobicContact CG2-CD1 4.06Å; T431-I449 HydrophobicContact CG2-CG1 4.04Å; V445-I449 HydrophobicContact CG1-CD1 4Å; V445-I449 WeakPolarHBondContact O-CG1 3.31Å; V445-I449 PolarHBondContact O-N 3.33Å; I446-I449 PolarHBondContact O-N 2.98Å; I449-F451 VanDerWaalsContact C-N 3.31Å; I449-F451 PolarHBondContact O-N 2.84Å; I449-E452 PolarHBondContact O-N 2.85Å; I449-N453 PolarHBondContact O-N 2.87Å; I449-N453 PolarHBondContact O-ND2 3.1Å
450	L	95.1	Very high	93.7	Very high	16 Å²	16	40.2 Å²	40.2	8%	0.084	18%	0.179	C	C	.	.	H	α-helix	trans	-62.4	-41.7	-177.5	-61.5	173.1	0	0	0	111.2	I446 F447 W448 N453 V454 Y534 M537 Q538 A541	I446-L450 HydrophobicContact CG2-CD1 4.11Å; I446-L450 VanDerWaalsContact O-CG 3.28Å; I446-L450 WeakPolarHBondContact O-CG 3.15Å; I446-L450 PolarHBondContact O-N 3.34Å; I446-L450 VanDerWaalsContact O-N 3.14Å; F447-L450 PolarHBondContact O-N 2.77Å; W448-L450 PolarHBondContact O-N 2.89Å; L450-N453 PolarHBondContact O-N 2.92Å; L450-V454 PolarHBondContact O-N 2.89Å; L450-Y534 HydrophobicContact CD2-CE2 4.25Å; L450-M537 HydrophobicContact CD1-CB 3.92Å; L450-M537 HydrophobicContact CD2-CB 4.02Å; L450-Q538 HydrophobicContact CD2-CB 4.17Å; L450-Q538 PolarHBondContact O-NE2 2.84Å; L450-Q538 VanDerWaalsContact O-NE2 3.12Å; L450-A541 HydrophobicContact CB-CB 3.75Å
451	F	94.8	Very high	93.8	Very high	10 Å²	10	38.8 Å²	38.8	4%	0.044	18%	0.176	C	C	.	.	H	α-helix	trans	-69	-41	178.5	-176.5	-113.7	0	0	0	112.6	M260 M263 F344 F347 F447 W448 I449 N453 V454 M455 V550	M260-F451 HydrophobicContact CG-CE1 4.02Å; M260-F451 HydrophobicContact CG-CE2 4.4Å; M260-F451 HydrophobicContact CG-CZ 3.64Å; M260-F451 HydrophobicContact SD-CZ 4.09Å; M263-F451 HydrophobicContact CB-CD1 4.2Å; M263-F451 HydrophobicContact CE-CB 3.73Å; M263-F451 HydrophobicContact CE-CD1 3.62Å; M263-F451 HydrophobicContact CE-CD2 4.04Å; M263-F451 HydrophobicContact CE-CE1 4.22Å; M263-F451 HydrophobicContact CE-CG 3.5Å; M263-F451 HydrophobicContact SD-CB 3.73Å; M263-F451 HydrophobicContact SD-CD1 4.17Å; M263-F451 HydrophobicContact SD-CG 4.1Å; F344-F451 HydrophobicContact CD2-CE2 4.3Å; F344-F451 HydrophobicContact CD2-CZ 4.41Å; F344-F451 AromaticContact CE2-CE2 3.82Å; F344-F451 HydrophobicContact CE2-CE2 3.82Å; F344-F451 HydrophobicContact CE2-CZ 4.16Å; F347-F451 HydrophobicContact CD1-CE1 4.39Å; F347-F451 AromaticContact CD1-CZ 3.95Å; F347-F451 HydrophobicContact CD1-CZ 3.95Å; F347-F451 AromaticContact CE1-CE1 3.64Å; F347-F451 HydrophobicContact CE1-CE1 3.64Å; F347-F451 AromaticContact CE1-CZ 3.6Å; F347-F451 HydrophobicContact CE1-CZ 3.6Å; F347-F451 HydrophobicContact CZ-CE1 4.42Å; F447-F451 WeakPolarHBondContact O-CB 3.32Å; F447-F451 PolarHBondContact O-N 3.48Å; W448-F451 PolarHBondContact O-N 3.26Å; I449-F451 VanDerWaalsContact C-N 3.31Å; I449-F451 PolarHBondContact O-N 2.84Å; F451-N453 VanDerWaalsContact C-N 3.26Å; F451-N453 PolarHBondContact O-N 3.48Å; F451-V454 WeakPolarHBondContact O-CA 3.43Å; F451-V454 WeakPolarHBondContact O-CB 3.38Å; F451-V454 PolarHBondContact O-N 3.03Å; F451-V454 VanDerWaalsContact O-N 3.09Å; F451-M455 HydrophobicContact CD1-CG 4.19Å; F451-M455 HydrophobicContact CE1-CG 3.79Å; F451-M455 HydrophobicContact CE1-SD 4.37Å; F451-M455 HydrophobicContact CE2-CG 4.17Å; F451-M455 HydrophobicContact CE2-SD 4Å; F451-M455 HydrophobicContact CZ-CG 3.78Å; F451-M455 HydrophobicContact CZ-SD 3.75Å; F451-M455 WeakPolarHBondContact O-CG 3.47Å; F451-M455 PolarHBondContact O-N 3.4Å; F451-V550 HydrophobicContact CD2-CG1 4.37Å; F451-V550 HydrophobicContact CE2-CG1 3.71Å; F451-V550 HydrophobicContact CZ-CG1 4.31Å
452	E	94.6	Very high	93.9	Very high	18 Å²	18	38.8 Å²	38.8	8%	0.084	18%	0.176	C	C	.	.	H	α-helix	trans	-62.7	-34.6	175.4	-79.7	-63.3	156.2	0	0	112.1	S267 W448 I449 M455 S456 R459	S267-E452 PolarHBondContact OG-OE1 2.95Å; W448-E452 HydrophobicContact CD2-CG 3.9Å; W448-E452 VanDerWaalsContact CE2-CG 3.43Å; W448-E452 HydrophobicContact CE3-CG 4.37Å; W448-E452 HydrophobicContact CG-CG 4.41Å; W448-E452 HydrophobicContact CH2-CG 3.94Å; W448-E452 HydrophobicContact CZ2-CG 3.48Å; W448-E452 VanDerWaalsContact CZ2-CG 3.48Å; W448-E452 HydrophobicContact CZ3-CG 4.39Å; W448-E452 WeakPolarHBondContact O-CB 3.4Å; W448-E452 WeakPolarHBondContact O-CG 3.11Å; W448-E452 PolarHBondContact O-N 3.2Å; I449-E452 PolarHBondContact O-N 2.85Å; E452-M455 CarbonylContact O-C 3.46Å; E452-M455 PolarHBondContact O-N 3.02Å; E452-S456 WeakPolarHBondContact O-CB 3.43Å; E452-S456 PolarHBondContact O-N 2.99Å; E452-R459 PolarHBondContact O-NH2 2.9Å; E452-R459 IonicContact OE2-CZ 2.63Å; E452-R459 VanDerWaalsContact OE2-CZ 3.28Å; E452-R459 IonicContact OE2-NH1 2.98Å; E452-R459 IonicContact OE2-NH2 2.61Å; E452-R459 PolarHBondContact OE2-NH2 3.26Å
453	N	95.2	Very high	94	Very high	7 Å²	7	32.5 Å²	32.5	4%	0.037	15%	0.149	C	C	.	.	H	α-helix	trans	-65.1	-40.5	171.7	-72.9	-23.4	0	0	0	111.8	T399 I449 L450 F451 M455 S456 Y534 Q538	T399-N453 WeakPolarHBondContact CG2-OD1 3.42Å; I449-N453 PolarHBondContact O-N 2.87Å; I449-N453 PolarHBondContact O-ND2 3.1Å; L450-N453 PolarHBondContact O-N 2.92Å; F451-N453 VanDerWaalsContact C-N 3.26Å; F451-N453 PolarHBondContact O-N 3.48Å; N453-M455 VanDerWaalsContact C-N 3.32Å; N453-M455 PolarHBondContact O-N 3.34Å; N453-S456 WeakPolarHBondContact O-CB 3.25Å; N453-S456 PolarHBondContact O-N 3.16Å; N453-S456 PolarHBondContact O-OG 3.31Å; N453-Y534 PolarHBondContact ND2-OH 3.01Å; N453-Q538 PolarHBondContact ND2-OE1 2.63Å
454	V	95.4	Very high	94.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-61.5	-42.3	171	177.2	0	0	0	0	111	L450 F451 S456 M457 H458 E509 A541 F542	L450-V454 PolarHBondContact O-N 2.89Å; F451-V454 WeakPolarHBondContact O-CA 3.43Å; F451-V454 WeakPolarHBondContact O-CB 3.38Å; F451-V454 PolarHBondContact O-N 3.03Å; F451-V454 VanDerWaalsContact O-N 3.09Å; V454-S456 VanDerWaalsContact C-N 3.32Å; V454-S456 PolarHBondContact O-N 3.19Å; V454-M457 WeakPolarHBondContact O-CB 3.45Å; V454-M457 PolarHBondContact O-N 3.19Å; V454-H458 PolarHBondContact O-ND1 3.07Å; V454-H458 VanDerWaalsContact O-ND1 3.16Å; V454-E509 HydrophobicContact CG1-CG 4.34Å; V454-A541 HydrophobicContact CG2-CB 4.27Å; V454-F542 HydrophobicContact CB-CD1 4.44Å; V454-F542 HydrophobicContact CB-CE1 4.24Å; V454-F542 HydrophobicContact CB-CZ 4.4Å; V454-F542 HydrophobicContact CG1-CD1 4.24Å; V454-F542 HydrophobicContact CG1-CE1 4.22Å; V454-F542 HydrophobicContact CG2-CB 4.48Å; V454-F542 HydrophobicContact CG2-CD1 3.93Å; V454-F542 HydrophobicContact CG2-CD2 3.93Å; V454-F542 HydrophobicContact CG2-CE1 4.08Å; V454-F542 HydrophobicContact CG2-CE2 4.07Å; V454-F542 HydrophobicContact CG2-CG 3.85Å; V454-F542 HydrophobicContact CG2-CZ 4.14Å
455	M	95	Very high	93.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-71.8	-26.8	179.2	-66.3	-45.7	-36.9	0	0	113.5	F344 F347 R348 Q351 F451 E452 N453 M457 H458 R459	F344-M455 HydrophobicContact CE2-SD 3.73Å; F344-M455 HydrophobicContact CZ-SD 4.39Å; F347-M455 HydrophobicContact CD1-CE 4.4Å; F347-M455 HydrophobicContact CD1-SD 4.01Å; F347-M455 HydrophobicContact CE1-CE 4.15Å; F347-M455 HydrophobicContact CE1-CG 3.81Å; F347-M455 HydrophobicContact CE1-SD 3.66Å; R348-M455 HydrophobicContact CG-CE 4.17Å; Q351-M455 HydrophobicContact CB-CE 4.13Å; Q351-M455 HydrophobicContact CG-CE 4.03Å; F451-M455 HydrophobicContact CD1-CG 4.19Å; F451-M455 HydrophobicContact CE1-CG 3.79Å; F451-M455 HydrophobicContact CE1-SD 4.37Å; F451-M455 HydrophobicContact CE2-CG 4.17Å; F451-M455 HydrophobicContact CE2-SD 4Å; F451-M455 HydrophobicContact CZ-CG 3.78Å; F451-M455 HydrophobicContact CZ-SD 3.75Å; F451-M455 WeakPolarHBondContact O-CG 3.47Å; F451-M455 PolarHBondContact O-N 3.4Å; E452-M455 CarbonylContact O-C 3.46Å; E452-M455 PolarHBondContact O-N 3.02Å; N453-M455 VanDerWaalsContact C-N 3.32Å; N453-M455 PolarHBondContact O-N 3.34Å; M455-M457 PolarHBondContact O-N 3.28Å; M455-H458 HydrophobicContact CE-CB 3.73Å; M455-H458 WeakPolarHBondContact O-CB 3.42Å; M455-H458 PolarHBondContact O-N 3.02Å; M455-H458 VanDerWaalsContact O-N 3.1Å; M455-R459 WeakPolarHBondContact O-CG 3.35Å; M455-R459 PolarHBondContact O-N 2.86Å
456	S	95.2	Very high	93.7	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-61.8	-32.3	176.5	77.6	0	0	0	0	111.7	F400 E452 N453 V454 H458 R459 T460	F400-S456 WeakPolarHBondContact CA-OG 3.38Å; F400-S456 VanDerWaalsContact CB-OG 3.29Å; F400-S456 WeakPolarHBondContact CB-OG 3.29Å; F400-S456 PolarHBondContact N-OG 2.91Å; E452-S456 WeakPolarHBondContact O-CB 3.43Å; E452-S456 PolarHBondContact O-N 2.99Å; N453-S456 WeakPolarHBondContact O-CB 3.25Å; N453-S456 PolarHBondContact O-N 3.16Å; N453-S456 PolarHBondContact O-OG 3.31Å; V454-S456 VanDerWaalsContact C-N 3.32Å; V454-S456 PolarHBondContact O-N 3.19Å; S456-H458 PolarHBondContact O-N 3.13Å; S456-R459 PolarHBondContact O-N 3.15Å; S456-T460 WeakPolarHBondContact O-CB 3.41Å; S456-T460 PolarHBondContact O-N 2.95Å; S456-T460 PolarHBondContact O-OG1 3.3Å
457	M	94.7	Very high	93.6	Very high	21 Å²	21	28.5 Å²	28.5	10%	0.103	13%	0.131	C	C	.	.	H	α-helix	trans	-59	-47.3	171.9	-174.3	-175	66	0	0	111.5	F400 V454 M455 K461 K508 E509 V512 F542	F400-M457 VanDerWaalsContact CD2-CA 3.48Å; F400-M457 HydrophobicContact CD2-CB 3.58Å; F400-M457 HydrophobicContact CD2-CG 4.14Å; F400-M457 HydrophobicContact CE1-CG 4.47Å; F400-M457 HydrophobicContact CE2-CB 3.48Å; F400-M457 VanDerWaalsContact CE2-CB 3.48Å; F400-M457 HydrophobicContact CE2-CG 3.59Å; F400-M457 HydrophobicContact CE2-SD 4.34Å; F400-M457 HydrophobicContact CG-CB 4.34Å; F400-M457 HydrophobicContact CZ-CB 4.16Å; F400-M457 HydrophobicContact CZ-CG 3.78Å; F400-M457 HydrophobicContact CZ-SD 4.49Å; V454-M457 WeakPolarHBondContact O-CB 3.45Å; V454-M457 PolarHBondContact O-N 3.19Å; M455-M457 PolarHBondContact O-N 3.28Å; M457-K461 WeakPolarHBondContact O-CB 3.24Å; M457-K461 PolarHBondContact O-N 2.82Å; M457-K508 HydrophobicContact CE-CB 4.07Å; M457-K508 HydrophobicContact SD-CB 4.34Å; M457-E509 HydrophobicContact CE-CG 3.66Å; M457-V512 HydrophobicContact SD-CG2 3.78Å; M457-F542 HydrophobicContact CB-CE1 4.45Å; M457-F542 HydrophobicContact SD-CE1 4.25Å
458	H	92.6	Very high	93.4	Very high	21 Å²	21	27.3 Å²	27.3	10%	0.097	13%	0.129	C	C	.	.	H	α-helix	trans	-67.5	-41.8	-178.9	-66.4	88.5	0	0	0	111.9	R348 V454 M455 S456 K461 G462 E509	R348-H458 WeakPolarHBondContact CD-NE2 3.4Å; V454-H458 PolarHBondContact O-ND1 3.07Å; V454-H458 VanDerWaalsContact O-ND1 3.16Å; M455-H458 HydrophobicContact CE-CB 3.73Å; M455-H458 WeakPolarHBondContact O-CB 3.42Å; M455-H458 PolarHBondContact O-N 3.02Å; M455-H458 VanDerWaalsContact O-N 3.1Å; S456-H458 PolarHBondContact O-N 3.13Å; H458-K461 PolarHBondContact O-N 3.07Å; H458-G462 PolarHBondContact O-N 3.03Å; H458-E509 IonicContact CE1-OE1 3.93Å; H458-E509 PolarHBondContact CE1-OE1 2.96Å; H458-E509 IonicContact NE2-OE1 3.52Å; H458-E509 PolarHBondContact NE2-OE1 2.71Å
459	R	95.2	Very high	92.8	Very high	29 Å²	29	30.5 Å²	30.5	11%	0.109	15%	0.145	C	C	.	.	H	α-helix	trans	-63.7	-48.6	175.9	-68.9	-173.6	-82.2	162.9	1.8	111	S355 H396 E452 M455 S456 K461 G462 T463	S355-R459 VanDerWaalsContact CB-O 3.3Å; S355-R459 WeakPolarHBondContact CB-O 3.03Å; S355-R459 WeakPolarHBondContact OG-CA 3.25Å; S355-R459 VanDerWaalsContact OG-CB 3.26Å; S355-R459 WeakPolarHBondContact OG-CB 3.5Å; S355-R459 VanDerWaalsContact OG-CG 3.26Å; S355-R459 WeakPolarHBondContact OG-CG 3.17Å; H396-R459 HydrophobicContact CB-CB 3.96Å; E452-R459 PolarHBondContact O-NH2 2.9Å; E452-R459 IonicContact OE2-CZ 2.63Å; E452-R459 VanDerWaalsContact OE2-CZ 3.28Å; E452-R459 IonicContact OE2-NH1 2.98Å; E452-R459 IonicContact OE2-NH2 2.61Å; E452-R459 PolarHBondContact OE2-NH2 3.26Å; M455-R459 WeakPolarHBondContact O-CG 3.35Å; M455-R459 PolarHBondContact O-N 2.86Å; S456-R459 PolarHBondContact O-N 3.15Å; R459-K461 PolarHBondContact O-N 3.21Å; R459-G462 CarbonylContact O-C 3.59Å; R459-G462 WeakPolarHBondContact O-CA 3.42Å; R459-G462 PolarHBondContact O-N 3.42Å; R459-T463 PolarHBondContact O-N 3.47Å; R459-T463 PolarHBondContact O-OG1 2.72Å; R459-T463 VanDerWaalsContact O-OG1 3.09Å
460	T	94.9	Very high	91.6	Very high	7 Å²	7	36 Å²	36	4%	0.043	16%	0.163	C	C	.	.	H	α-helix	trans	-55.3	-49.1	175.1	-62.1	0	0	0	0	111.7	H396 C397 F400 S456 G462 T463 F464	H396-T460 PolarHBondContact O-OG1 3.14Å; C397-T460 WeakPolarHBondContact CA-OG1 3.4Å; C397-T460 HydrophobicContact CB-CG2 4.48Å; F400-T460 VanDerWaalsContact CB-OG1 3.25Å; F400-T460 WeakPolarHBondContact CB-OG1 3.24Å; F400-T460 HydrophobicContact CD1-CG2 4.08Å; S456-T460 WeakPolarHBondContact O-CB 3.41Å; S456-T460 PolarHBondContact O-N 2.95Å; S456-T460 PolarHBondContact O-OG1 3.3Å; T460-G462 VanDerWaalsContact C-N 3.32Å; T460-G462 PolarHBondContact O-N 3.22Å; T460-T463 PolarHBondContact O-N 3.47Å; T460-F464 HydrophobicContact CG2-CD2 3.67Å; T460-F464 HydrophobicContact CG2-CE2 3.48Å; T460-F464 VanDerWaalsContact CG2-CE2 3.48Å; T460-F464 VanDerWaalsContact O-CD2 3.24Å; T460-F464 WeakPolarHBondContact O-CD2 3.43Å; T460-F464 PolarHBondContact O-N 2.63Å
461	K	92.5	Very high	89.8	Confident	94 Å²	94	44.1 Å²	44.1	41%	0.409	20%	0.2	S	C	.	.	H	α-helix	trans	-58.7	-44	175.3	-176.8	-165.8	170.6	-151.9	0	111.5	M457 H458 R459 I465	M457-K461 WeakPolarHBondContact O-CB 3.24Å; M457-K461 PolarHBondContact O-N 2.82Å; H458-K461 PolarHBondContact O-N 3.07Å; R459-K461 PolarHBondContact O-N 3.21Å; K461-I465 HydrophobicContact CD-CD1 4.48Å; K461-I465 HydrophobicContact CG-CD1 3.95Å; K461-I465 WeakPolarHBondContact O-CB 3.31Å; K461-I465 VanDerWaalsContact O-CG1 3.31Å; K461-I465 WeakPolarHBondContact O-CG1 3.26Å; K461-I465 PolarHBondContact O-N 2.98Å
462	G	91.8	Very high	88.2	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-58.5	-50.4	175	0	0	0	0	0	112.4	H352 C356 H458 R459 T460 F464 I465 G466	H352-G462 WeakPolarHBondContact ND1-CA 3.32Å; C356-G462 VanDerWaalsContact CA-O 3.23Å; C356-G462 WeakPolarHBondContact CA-O 3.42Å; C356-G462 WeakPolarHBondContact CB-O 3.42Å; H458-G462 PolarHBondContact O-N 3.03Å; R459-G462 CarbonylContact O-C 3.59Å; R459-G462 WeakPolarHBondContact O-CA 3.42Å; R459-G462 PolarHBondContact O-N 3.42Å; T460-G462 VanDerWaalsContact C-N 3.32Å; T460-G462 PolarHBondContact O-N 3.22Å; G462-F464 PolarHBondContact O-N 2.99Å; G462-I465 PolarHBondContact O-N 3.14Å; G462-G466 PolarHBondContact O-N 3.25Å
463	T	93.8	Very high	86.5	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-56.5	-48.7	177.7	-60.5	0	0	0	0	111.8	A359 I393 R459 T460 I465 G466 I467	A359-T463 HydrophobicContact CB-CG2 3.98Å; I393-T463 HydrophobicContact CB-CG2 4.17Å; I393-T463 HydrophobicContact CG1-CG2 4.1Å; I393-T463 HydrophobicContact CG2-CG2 3.85Å; R459-T463 PolarHBondContact O-N 3.47Å; R459-T463 PolarHBondContact O-OG1 2.72Å; R459-T463 VanDerWaalsContact O-OG1 3.09Å; T460-T463 PolarHBondContact O-N 3.47Å; T463-I465 PolarHBondContact O-N 3.39Å; T463-G466 PolarHBondContact O-N 2.75Å; T463-I467 HydrophobicContact CG2-CD1 3.79Å; T463-I467 WeakPolarHBondContact O-CG1 3.42Å; T463-I467 PolarHBondContact O-N 3.4Å
464	F	92.6	Very high	84.8	Confident	103 Å²	103	55.9 Å²	55.9	45%	0.452	25%	0.25	S	S	.	.	H	α-helix	trans	-62.8	-42.4	177.5	-81.9	-65.9	0	0	0	112.9	T460 G462 G466 I467 L468	T460-F464 HydrophobicContact CG2-CD2 3.67Å; T460-F464 HydrophobicContact CG2-CE2 3.48Å; T460-F464 VanDerWaalsContact CG2-CE2 3.48Å; T460-F464 VanDerWaalsContact O-CD2 3.24Å; T460-F464 WeakPolarHBondContact O-CD2 3.43Å; T460-F464 PolarHBondContact O-N 2.63Å; G462-F464 PolarHBondContact O-N 2.99Å; F464-G466 VanDerWaalsContact C-N 3.31Å; F464-G466 PolarHBondContact O-N 3.34Å; F464-I467 PolarHBondContact O-N 2.86Å; F464-L468 VanDerWaalsContact O-CB 3.29Å; F464-L468 WeakPolarHBondContact O-CB 3.34Å; F464-L468 VanDerWaalsContact O-CG 3.27Å; F464-L468 WeakPolarHBondContact O-CG 3.5Å; F464-L468 PolarHBondContact O-N 3.1Å
465	I	90.3	Very high	83.2	Confident	33 Å²	33	60.2 Å²	60.2	17%	0.169	27%	0.27	C	S	.	.	H	α-helix	trans	-61.9	-42.6	176.5	-72.6	170.2	0	0	0	110.3	K461 G462 T463 E469 R470 V473	K461-I465 HydrophobicContact CD-CD1 4.48Å; K461-I465 HydrophobicContact CG-CD1 3.95Å; K461-I465 WeakPolarHBondContact O-CB 3.31Å; K461-I465 VanDerWaalsContact O-CG1 3.31Å; K461-I465 WeakPolarHBondContact O-CG1 3.26Å; K461-I465 PolarHBondContact O-N 2.98Å; G462-I465 PolarHBondContact O-N 3.14Å; T463-I465 PolarHBondContact O-N 3.39Å; I465-E469 PolarHBondContact O-N 3.34Å; I465-E469 VanDerWaalsContact O-N 3.14Å; I465-R470 PolarHBondContact O-N 2.68Å; I465-V473 HydrophobicContact CG2-CG2 3.51Å; I465-V473 WeakPolarHBondContact O-CG2 3.47Å
466	G	89.2	Confident	81.3	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-63.2	-46	177.8	0	0	0	0	0	113.4	C356 N360 G462 T463 F464 E469	C356-G466 WeakPolarHBondContact O-CA 3.26Å; C356-G466 VanDerWaalsContact SG-CA 3.51Å; C356-G466 PolarHBondContact SG-N 3.48Å; N360-G466 WeakPolarHBondContact CA-O 3.13Å; G462-G466 PolarHBondContact O-N 3.25Å; T463-G466 PolarHBondContact O-N 2.75Å; F464-G466 VanDerWaalsContact C-N 3.31Å; F464-G466 PolarHBondContact O-N 3.34Å; G466-E469 PolarHBondContact O-N 3.28Å
467	I	90.5	Very high	79.8	Confident	52 Å²	52	65.2 Å²	65.2	27%	0.267	30%	0.295	S	S	.	.	H	α-helix	trans	-68.9	-36.5	179.8	-66.1	170.3	0	0	0	112	A359 R363 I393 T463 F464 E469	A359-I467 HydrophobicContact CB-CD1 4.47Å; A359-I467 HydrophobicContact CB-CG1 3.88Å; R363-I467 VanDerWaalsContact CD-O 3.28Å; R363-I467 WeakPolarHBondContact CD-O 3.48Å; R363-I467 PolarHBondContact NH1-O 3.38Å; I393-I467 HydrophobicContact CD1-CD1 3.99Å; I393-I467 HydrophobicContact CG1-CD1 4.31Å; I393-I467 HydrophobicContact CG2-CD1 3.93Å; T463-I467 HydrophobicContact CG2-CD1 3.79Å; T463-I467 WeakPolarHBondContact O-CG1 3.42Å; T463-I467 PolarHBondContact O-N 3.4Å; F464-I467 PolarHBondContact O-N 2.86Å; I467-E469 VanDerWaalsContact C-N 3.32Å
468	L	89	Confident	77.9	Confident	89 Å²	89	66.9 Å²	66.9	47%	0.466	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-1.4	-177.5	-64.6	175.3	0	0	0	113.4	F464 R470	F464-L468 VanDerWaalsContact O-CB 3.29Å; F464-L468 WeakPolarHBondContact O-CB 3.34Å; F464-L468 VanDerWaalsContact O-CG 3.27Å; F464-L468 WeakPolarHBondContact O-CG 3.5Å; F464-L468 PolarHBondContact O-N 3.1Å; L468-R470 HydrophobicContact CB-CG 3.91Å; L468-R470 PolarHBondContact O-N 3.42Å; L468-R470 VanDerWaalsContact O-N 3.07Å
469	E	81.8	Confident	76.4	Confident	89 Å²	89	66.5 Å²	66.5	42%	0.416	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.9	37.4	-176.2	-71.5	-179.8	133.6	0	0	113.1	N360 R363 K364 I465 G466 I467	N360-E469 PolarHBondContact OD1-OE1 2.81Å; R363-E469 IonicContact CZ-OE2 3.9Å; R363-E469 IonicContact NE-OE2 3.81Å; R363-E469 PolarHBondContact NE-OE2 2.88Å; R363-E469 IonicContact NH2-OE2 2.7Å; K364-E469 WeakPolarHBondContact CE-OE1 3.43Å; K364-E469 IonicContact NZ-OE1 3.52Å; I465-E469 PolarHBondContact O-N 3.34Å; I465-E469 VanDerWaalsContact O-N 3.14Å; G466-E469 PolarHBondContact O-N 3.28Å; I467-E469 VanDerWaalsContact C-N 3.32Å
470	R	69.8	Low	74.6	Confident	168 Å²	168	70.9 Å²	70.9	63%	0.634	33%	0.327	S	S	*	.			trans	-72.7	163.9	-179.9	-73.1	-173.5	176.7	-173.2	0.6	111.2	I465 L468 R472 V473	I465-R470 PolarHBondContact O-N 2.68Å; L468-R470 HydrophobicContact CB-CG 3.91Å; L468-R470 PolarHBondContact O-N 3.42Å; L468-R470 VanDerWaalsContact O-N 3.07Å; R470-R472 PolarHBondContact O-N 2.88Å; R470-V473 WeakPolarHBondContact O-CG2 3.41Å; R470-V473 PolarHBondContact O-N 3.36Å
471	Q	57	Low	73.1	Confident	185 Å²	185	72.5 Å²	72.5	86%	0.864	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.9	139.9	179.3	-70.7	-179.7	-15.7	0	0	111.5
472	R	60.4	Low	71.7	Confident	186 Å²	186	69.5 Å²	69.5	70%	0.702	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.6	4.4	-175.8	-48.3	-174.5	179.4	-166.8	-1.2	118.1	R470 N474 E475	R470-R472 PolarHBondContact O-N 2.88Å; R472-N474 PolarHBondContact O-N 3.01Å; R472-E475 HydrophobicContact CB-CB 4.14Å; R472-E475 WeakPolarHBondContact CB-OE2 3.27Å; R472-E475 WeakPolarHBondContact CD-OE2 3.26Å; R472-E475 WeakPolarHBondContact CG-OE2 3.42Å; R472-E475 IonicContact NE-OE2 3.27Å; R472-E475 PolarHBondContact O-N 3.19Å; R472-E475 VanDerWaalsContact O-N 3.13Å
473	V	59.5	Low	70	Confident	12 Å²	12	69.6 Å²	69.6	7%	0.073	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-32.4	178.2	170.1	0	0	0	0	113.4	T311 N360 I465 R470	T311-V473 WeakPolarHBondContact CG2-O 3.25Å; N360-V473 HydrophobicContact CB-CG1 3.97Å; N360-V473 WeakPolarHBondContact ND2-CG1 3.42Å; I465-V473 HydrophobicContact CG2-CG2 3.51Å; I465-V473 WeakPolarHBondContact O-CG2 3.47Å; R470-V473 WeakPolarHBondContact O-CG2 3.41Å; R470-V473 PolarHBondContact O-N 3.36Å
474	N	59.9	Low	68.2	Low	85 Å²	85	70.5 Å²	70.5	46%	0.455	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	9.8	178.7	-62.1	-23.8	0	0	0	113	R472 W476	R472-N474 PolarHBondContact O-N 3.01Å; N474-W476 PolarHBondContact O-N 2.88Å
475	E	62.6	Low	66.1	Low	90 Å²	90	66.9 Å²	66.9	42%	0.421	32%	0.317	S	S	.	.			trans	-79	118.3	179.7	-169.9	-178.5	176.5	0	0	109.7	R472	R472-E475 HydrophobicContact CB-CB 4.14Å; R472-E475 WeakPolarHBondContact CB-OE2 3.27Å; R472-E475 WeakPolarHBondContact CD-OE2 3.26Å; R472-E475 WeakPolarHBondContact CG-OE2 3.42Å; R472-E475 IonicContact NE-OE2 3.27Å; R472-E475 PolarHBondContact O-N 3.19Å; R472-E475 VanDerWaalsContact O-N 3.13Å
476	W	54	Low	63.8	Low	56 Å²	56	70.5 Å²	70.5	21%	0.212	34%	0.336	C	S	.	.			trans	-98.2	110.6	176.8	-167.8	100.1	0	0	0	110	Y131 Y196 N474 V478	Y131-W476 HydrophobicContact CD1-CZ3 4.29Å; Y196-W476 HydrophobicContact CD1-CB 3.81Å; Y196-W476 HydrophobicContact CD1-CE3 4.26Å; Y196-W476 HydrophobicContact CD1-CG 4.36Å; Y196-W476 HydrophobicContact CD2-CB 3.53Å; Y196-W476 HydrophobicContact CD2-CG 4.39Å; Y196-W476 HydrophobicContact CE1-CB 3.87Å; Y196-W476 HydrophobicContact CE2-CB 3.61Å; Y196-W476 HydrophobicContact CG-CB 3.63Å; Y196-W476 HydrophobicContact CG-CG 4.14Å; N474-W476 PolarHBondContact O-N 2.88Å; W476-V478 HydrophobicContact CE3-CB 4.46Å; W476-V478 HydrophobicContact CE3-CG2 3.93Å; W476-V478 HydrophobicContact CH2-CB 3.87Å; W476-V478 HydrophobicContact CH2-CG1 3.78Å; W476-V478 HydrophobicContact CH2-CG2 3.88Å; W476-V478 VanDerWaalsContact CZ3-CA 3.4Å; W476-V478 HydrophobicContact CZ3-CB 3.62Å; W476-V478 HydrophobicContact CZ3-CG1 3.98Å; W476-V478 HydrophobicContact CZ3-CG2 3.16Å
477	V	63.2	Low	61.9	Low	50 Å²	50	74.8 Å²	74.8	30%	0.303	35%	0.354	S	S	.	.			trans	-96.4	129.4	169.9	-176.8	0	0	0	0	108.7	F349 R353	F349-V477 HydrophobicContact CD1-CB 4.43Å; F349-V477 HydrophobicContact CD2-CG1 4.32Å; F349-V477 HydrophobicContact CE2-CG1 4.48Å; F349-V477 HydrophobicContact CG-CG1 4.35Å; R353-V477 PolarHBondContact NH1-O 3.03Å
478	V	56.7	Low	59.6	Low	55 Å²	55	78 Å²	78	33%	0.333	38%	0.377	S	S	.	.			trans	-64.6	135.6	179.9	-168.3	0	0	0	0	109.7	Y131 W476	Y131-V478 HydrophobicContact CD1-CG1 4.28Å; Y131-V478 HydrophobicContact CD1-CG2 3.59Å; Y131-V478 HydrophobicContact CE1-CG2 3.34Å; W476-V478 HydrophobicContact CE3-CB 4.46Å; W476-V478 HydrophobicContact CE3-CG2 3.93Å; W476-V478 HydrophobicContact CH2-CB 3.87Å; W476-V478 HydrophobicContact CH2-CG1 3.78Å; W476-V478 HydrophobicContact CH2-CG2 3.88Å; W476-V478 VanDerWaalsContact CZ3-CA 3.4Å; W476-V478 HydrophobicContact CZ3-CB 3.62Å; W476-V478 HydrophobicContact CZ3-CG1 3.98Å; W476-V478 HydrophobicContact CZ3-CG2 3.16Å
479	T	59.1	Low	57.1	Low	14 Å²	14	82.3 Å²	82.3	9%	0.086	39%	0.392	C	S	.	.			trans	-95.4	102.7	170.5	-54.5	0	0	0	0	108	P341 A346 K481	P341-T479 HydrophobicContact CB-CG2 3.93Å; A346-T479 HydrophobicContact CB-CG2 3.9Å; T479-K481 PolarHBondContact O-N 2.88Å
480	E	57.4	Low	54.8	Low	121 Å²	121	85.5 Å²	85.5	57%	0.565	41%	0.411	S	S	*	.			trans	-56.1	127.7	177.8	-68.9	178.3	178.9	0	0	111.3	K343	K343-E480 IonicContact NZ-OE2 3.61Å; K343-E480 PolarHBondContact NZ-OE2 3.47Å
481	K	63.8	Low	53.1	Low	40 Å²	40	84.7 Å²	84.7	17%	0.174	42%	0.419	C	S	.	.			trans	-104.4	146.9	170.6	-56.6	-63.5	-178.3	126.1	0	108.6	D222 E339 T479	D222-K481 HydrophobicContact CB-CB 4.49Å; D222-K481 HydrophobicContact CB-CG 4.12Å; D222-K481 WeakPolarHBondContact OD2-CE 3.39Å; D222-K481 IonicContact OD2-NZ 2.86Å; D222-K481 PolarHBondContact OD2-NZ 3.45Å; E339-K481 HydrophobicContact CB-CD 4.43Å; E339-K481 PolarHBondContact O-NZ 2.89Å; T479-K481 PolarHBondContact O-N 2.88Å
482	L	63.6	Low	51.9	Low	31 Å²	31	81.4 Å²	81.4	16%	0.162	41%	0.413	C	S	.	.			trans	-104.4	-1.8	-168.4	-71.4	175.1	0	0	0	113.8	K257 E339 S342 D484 K487	K257-L482 VanDerWaalsContact NZ-CD1 3.26Å; E339-L482 PolarHBondContact OE2-N 3.45Å; S342-L482 WeakPolarHBondContact OG-CD1 3.23Å; L482-D484 PolarHBondContact O-N 3.34Å; L482-K487 PolarHBondContact O-NZ 2.91Å
483	G	56.7	Low	50.8	Low	2 Å²	2	82.2 Å²	82.2	2%	0.021	42%	0.416	C	S	.	.			trans	59.6	37.5	-175.8	0	0	0	0	0	111.5	E339 A485 L486	E339-G483 VanDerWaalsContact OE1-CA 3.29Å; E339-G483 WeakPolarHBondContact OE1-CA 3.3Å; E339-G483 PolarHBondContact OE2-N 3.45Å; E339-G483 VanDerWaalsContact OE2-N 3.12Å; G483-A485 PolarHBondContact O-N 3.47Å; G483-A485 VanDerWaalsContact O-N 3.12Å; G483-L486 WeakPolarHBondContact O-CB 3.38Å; G483-L486 PolarHBondContact O-N 3.06Å
484	D	55.3	Low	49.5	Very low	19 Å²	19	89.8 Å²	89.8	10%	0.102	45%	0.454	C	S	.	.	H	α-helix	trans	-59.7	-21.3	-177.6	-70	-36.4	0	0	0	112.7	N254 K257 E339 L482 L486 K487	N254-D484 HydrophobicContact CB-CB 4Å; N254-D484 PolarHBondContact ND2-OD2 3.45Å; K257-D484 WeakPolarHBondContact CD-OD2 3.47Å; K257-D484 WeakPolarHBondContact CE-OD2 3.22Å; K257-D484 IonicContact NZ-OD1 3.13Å; K257-D484 PolarHBondContact NZ-OD1 2.98Å; K257-D484 IonicContact NZ-OD2 3.01Å; K257-D484 PolarHBondContact NZ-OD2 3.06Å; E339-D484 PolarHBondContact OE1-N 2.9Å; E339-D484 PolarHBondContact OE2-N 2.86Å; L482-D484 PolarHBondContact O-N 3.34Å; D484-L486 PolarHBondContact O-N 3.32Å; D484-L486 VanDerWaalsContact O-N 3.16Å; D484-K487 PolarHBondContact O-N 2.92Å; D484-K487 IonicContact OD1-NZ 3.75Å
485	A	48.6	Very low	48.4	Very low	28 Å²	28	88.8 Å²	88.8	23%	0.231	46%	0.464	C	S	.	.	H	α-helix	trans	-52.3	-33.7	170.5	0	0	0	0	0	112.9	L139 E339 G483 T488	L139-A485 HydrophobicContact CD1-CB 4.23Å; E339-A485 PolarHBondContact OE1-N 3.49Å; G483-A485 PolarHBondContact O-N 3.47Å; G483-A485 VanDerWaalsContact O-N 3.12Å; A485-T488 PolarHBondContact O-OG1 2.82Å
486	L	42.8	Very low	47.1	Very low	109 Å²	109	93.4 Å²	93.4	57%	0.571	48%	0.483	S	S	*	.	H	α-helix	trans	-78.3	-27.2	174.8	-83.7	148.1	0	0	0	113.4	L139 G483 D484 T488	L139-L486 HydrophobicContact CD1-CD1 3.77Å; L139-L486 HydrophobicContact CD1-CG 4.02Å; L139-L486 HydrophobicContact CG-CD1 4.31Å; G483-L486 WeakPolarHBondContact O-CB 3.38Å; G483-L486 PolarHBondContact O-N 3.06Å; D484-L486 PolarHBondContact O-N 3.32Å; D484-L486 VanDerWaalsContact O-N 3.16Å; L486-T488 VanDerWaalsContact C-N 3.3Å; L486-T488 PolarHBondContact O-N 3.48Å
487	K	49.1	Very low	46.2	Very low	89 Å²	89	96.7 Å²	96.7	39%	0.387	51%	0.511	S	S	.	.	H	α-helix	trans	-83.7	-1.2	-172	-68.5	-179.9	-174.7	148	0	114.4	L482 D484 K489	L482-K487 PolarHBondContact O-NZ 2.91Å; D484-K487 PolarHBondContact O-N 2.92Å; D484-K487 IonicContact OD1-NZ 3.75Å; K487-K489 PolarHBondContact O-N 2.89Å
488	T	42	Very low	45.3	Very low	121 Å²	121	98.5 Å²	98.5	74%	0.742	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-6.9	172	-16.8	0	0	0	0	113.1	A485 L486	A485-T488 PolarHBondContact O-OG1 2.82Å; L486-T488 VanDerWaalsContact C-N 3.3Å; L486-T488 PolarHBondContact O-N 3.48Å
489	K	36.8	Very low	44.6	Very low	179 Å²	179	103.5 Å²	103.5	78%	0.778	55%	0.551	S	S	*	*	S	Bend	trans	-128.3	108	163	-70.8	-178.2	178.4	-179.6	0	110.2	K487	K487-K489 PolarHBondContact O-N 2.89Å
490	L	32.5	Very low	44.4	Very low	156 Å²	156	106.5 Å²	106.5	82%	0.817	57%	0.565	S	S	*	*	S	Bend	trans	63.2	108.4	157.6	-67.4	150.1	0	0	0	118.6
491	L	34.2	Very low	44.2	Very low	151 Å²	151	106.7 Å²	106.7	79%	0.791	56%	0.564	S	S	*	*				151.9	122.8	124.2	-80	167.1	0	0	0	110.7	R493	L491-R493 PolarHBondContact O-N 2.77Å
492	P	32.7	Very low	43.6	Very low	116 Å²	116	111.9 Å²	111.9	75%	0.753	59%	0.593	S	S	*	*			trans	-74	117.9	169.2	26.4	-22.6	0	0	0	109.2	I494	P492-I494 PolarHBondContact O-N 2.87Å; P492-I494 VanDerWaalsContact O-N 3.17Å
493	R	36.6	Very low	43.4	Very low	203 Å²	203	118.3 Å²	118.3	77%	0.766	62%	0.623	S	S	*	*			trans	-67.7	111	168.7	-96.5	-173.8	177.4	169.3	1.2	108.9	L491 G495	L491-R493 PolarHBondContact O-N 2.77Å; R493-G495 PolarHBondContact O-N 3.33Å
494	I	31.5	Very low	43.9	Very low	170 Å²	170	122.9 Å²	122.9	87%	0.872	64%	0.639	S	S	*	*			trans	-76.1	98.7	166.1	-61.1	168.2	0	0	0	107.2	P492	P492-I494 PolarHBondContact O-N 2.87Å; P492-I494 VanDerWaalsContact O-N 3.17Å
495	G	37.9	Very low	45	Very low	64 Å²	64	124.8 Å²	124.8	66%	0.66	65%	0.652	S	S	*	*			trans	-97.8	127.2	170.3	0	0	0	0	0	110.3	R493	R493-G495 PolarHBondContact O-N 3.33Å
496	K	35.1	Very low	46.8	Very low	188 Å²	188	124.3 Å²	124.3	82%	0.817	65%	0.645	S	S	*	*			trans	-50.8	141.1	179.7	-75.7	177.1	173.9	178.1	0	112.1	S498	K496-S498 PolarHBondContact O-N 3.29Å
497	P	34.8	Very low	49	Very low	124 Å²	124	123.2 Å²	123.2	81%	0.805	65%	0.647	S	S	*	*			trans	-78.2	88.6	173.9	32.2	-30	0	0	0	109.2
498	S	45	Very low	51	Low	89 Å²	89	123.9 Å²	123.9	62%	0.622	65%	0.65	S	S	*	*			trans	-91.5	108.7	168.1	60.7	0	0	0	0	109	K496 M500	K496-S498 PolarHBondContact O-N 3.29Å; S498-M500 WeakPolarHBondContact O-CA 3.47Å; S498-M500 WeakPolarHBondContact O-CB 3.4Å; S498-M500 PolarHBondContact O-N 3.31Å
499	N	41.8	Very low	53.4	Low	160 Å²	160	118.3 Å²	118.3	86%	0.856	62%	0.615	S	S	*	*	S	Bend	trans	22.8	45.8	167.6	-71.9	-6.8	0	0	0	117	F501	N499-F501 PolarHBondContact O-N 3.13Å
500	M	53.1	Low	56.1	Low	77 Å²	77	111.8 Å²	111.8	38%	0.379	59%	0.588	S	S	.	*	H	α-helix	trans	-80.3	-10.3	-160.9	-132.9	-175.8	-58.6	0	0	112.3	S498 R504	S498-M500 WeakPolarHBondContact O-CA 3.47Å; S498-M500 WeakPolarHBondContact O-CB 3.4Å; S498-M500 PolarHBondContact O-N 3.31Å; M500-R504 VanDerWaalsContact O-CD 3.27Å; M500-R504 WeakPolarHBondContact O-CD 3.45Å; M500-R504 WeakPolarHBondContact O-CG 3.38Å; M500-R504 PolarHBondContact SD-NH2 3.39Å
501	F	54.1	Low	59.1	Low	124 Å²	124	110.4 Å²	110.4	54%	0.544	58%	0.579	S	S	.	*	H	α-helix	trans	-72.9	-47.5	-169.9	-162.7	-101.2	0	0	0	111.6	N499 E503 R504 V505 V547 F549	N499-F501 PolarHBondContact O-N 3.13Å; F501-E503 PolarHBondContact O-N 3.27Å; F501-R504 PolarHBondContact O-N 3.28Å; F501-V505 WeakPolarHBondContact O-CG2 3.45Å; F501-V547 HydrophobicContact CE2-CG1 3.7Å; F501-V547 HydrophobicContact CZ-CG1 3.53Å; F501-F549 HydrophobicContact CE2-CE2 4.23Å
502	L	52.3	Low	61.9	Low	149 Å²	149	104 Å²	104	78%	0.78	55%	0.546	S	S	*	.	H	α-helix	trans	-68.1	-37.9	-177	-114.2	92.3	0	0	0	113.1	R504 V505	L502-R504 PolarHBondContact O-N 3.42Å; L502-V505 PolarHBondContact O-N 2.88Å
503	E	59.4	Low	64.9	Low	167 Å²	167	98.5 Å²	98.5	78%	0.78	51%	0.51	S	S	*	.	H	α-helix	trans	-68	-18.2	177.7	-69.7	-167.8	166.6	0	0	113.5	F501	F501-E503 PolarHBondContact O-N 3.27Å
504	R	66.9	Low	67.7	Low	97 Å²	97	92.6 Å²	92.6	37%	0.366	49%	0.493	S	S	.	.	H	α-helix	trans	-85.7	-16.9	177.3	-74.6	174.4	179.9	-146.7	-3.2	113	M500 F501 L502 N506	M500-R504 VanDerWaalsContact O-CD 3.27Å; M500-R504 WeakPolarHBondContact O-CD 3.45Å; M500-R504 WeakPolarHBondContact O-CG 3.38Å; M500-R504 PolarHBondContact SD-NH2 3.39Å; F501-R504 PolarHBondContact O-N 3.28Å; L502-R504 PolarHBondContact O-N 3.42Å; R504-N506 PolarHBondContact O-N 2.88Å; R504-N506 PolarHBondContact O-ND2 3.15Å
505	V	78.7	Confident	70.8	Confident	60 Å²	60	87.4 Å²	87.4	36%	0.364	46%	0.463	S	S	.	.			trans	-71.1	118.8	-176.4	-177.8	0	0	0	0	110.8	F501 L502 I510 G546	F501-V505 WeakPolarHBondContact O-CG2 3.45Å; L502-V505 PolarHBondContact O-N 2.88Å; V505-I510 HydrophobicContact CG1-CD1 3.47Å; V505-I510 VanDerWaalsContact CG1-CD1 3.47Å; V505-G546 CarbonylContact C-O 3.5Å; V505-G546 WeakPolarHBondContact CA-O 3.3Å
506	N	85.3	Confident	73.5	Confident	17 Å²	17	84.3 Å²	84.3	9%	0.091	43%	0.432	C	S	.	.			trans	-105.8	96.6	178.8	-53.6	-60.8	0	0	0	109.6	R348 R504 K508 E509 I510 S545 G546	R348-N506 PolarHBondContact NH1-OD1 2.89Å; R348-N506 PolarHBondContact NH2-OD1 3.04Å; R504-N506 PolarHBondContact O-N 2.88Å; R504-N506 PolarHBondContact O-ND2 3.15Å; N506-K508 PolarHBondContact O-N 3.43Å; N506-K508 VanDerWaalsContact O-N 3.17Å; N506-E509 HydrophobicContact CB-CB 4.38Å; N506-E509 HydrophobicContact CB-CG 4.33Å; N506-E509 WeakPolarHBondContact CB-OE1 3.37Å; N506-E509 WeakPolarHBondContact CB-OE2 3.5Å; N506-E509 PolarHBondContact O-N 3Å; N506-I510 WeakPolarHBondContact O-CG1 3.42Å; N506-I510 PolarHBondContact O-N 3.48Å; N506-I510 VanDerWaalsContact O-N 3.15Å; N506-S545 PolarHBondContact ND2-O 3.24Å; N506-S545 VanDerWaalsContact ND2-O 3.13Å; N506-G546 PolarHBondContact N-O 2.79Å
507	S	88.6	Confident	76.4	Confident	87 Å²	87	77 Å²	77	61%	0.608	40%	0.401	S	S	*	.	H	α-helix	trans	-59.2	-30.6	-171.8	57.3	0	0	0	0	114.2	M511	S507-M511 VanDerWaalsContact O-CB 3.32Å; S507-M511 WeakPolarHBondContact O-CB 3.26Å; S507-M511 PolarHBondContact O-N 3.11Å
508	K	91	Very high	79.2	Confident	103 Å²	103	71.5 Å²	71.5	45%	0.448	37%	0.366	S	S	.	.	H	α-helix	trans	-72.1	-45.7	-177.8	-65.4	179.7	179.7	-178.8	0	111.6	M457 N506 I510 M511 V512	M457-K508 HydrophobicContact CE-CB 4.07Å; M457-K508 HydrophobicContact SD-CB 4.34Å; N506-K508 PolarHBondContact O-N 3.43Å; N506-K508 VanDerWaalsContact O-N 3.17Å; K508-I510 VanDerWaalsContact C-N 3.31Å; K508-M511 PolarHBondContact O-N 3.23Å; K508-V512 WeakPolarHBondContact O-CG2 3.48Å; K508-V512 PolarHBondContact O-N 2.89Å
509	E	93.2	Very high	81.4	Confident	4 Å²	4	67.3 Å²	67.3	2%	0.019	34%	0.336	C	S	.	.	H	α-helix	trans	-62.1	-41.6	175.4	-67.3	86.7	139.7	0	0	110.2	R348 V454 M457 H458 N506 G513 F542	R348-E509 IonicContact CZ-OE1 2.76Å; R348-E509 IonicContact NH1-OE1 2.81Å; R348-E509 PolarHBondContact NH1-OE1 3.06Å; V454-E509 HydrophobicContact CG1-CG 4.34Å; M457-E509 HydrophobicContact CE-CG 3.66Å; H458-E509 IonicContact CE1-OE1 3.93Å; H458-E509 PolarHBondContact CE1-OE1 2.96Å; H458-E509 IonicContact NE2-OE1 3.52Å; H458-E509 PolarHBondContact NE2-OE1 2.71Å; N506-E509 HydrophobicContact CB-CB 4.38Å; N506-E509 HydrophobicContact CB-CG 4.33Å; N506-E509 WeakPolarHBondContact CB-OE1 3.37Å; N506-E509 WeakPolarHBondContact CB-OE2 3.5Å; N506-E509 PolarHBondContact O-N 3Å; E509-G513 PolarHBondContact O-N 3.26Å; E509-F542 HydrophobicContact CB-CD1 4.39Å
510	I	93.7	Very high	83.8	Confident	42 Å²	42	59.7 Å²	59.7	22%	0.215	30%	0.295	C	S	.	.	H	α-helix	trans	-62.6	-47.7	174.3	-66	178.4	0	0	0	111.1	V505 N506 K508 V512 G513 I514 L543	V505-I510 HydrophobicContact CG1-CD1 3.47Å; V505-I510 VanDerWaalsContact CG1-CD1 3.47Å; N506-I510 WeakPolarHBondContact O-CG1 3.42Å; N506-I510 PolarHBondContact O-N 3.48Å; N506-I510 VanDerWaalsContact O-N 3.15Å; K508-I510 VanDerWaalsContact C-N 3.31Å; I510-V512 PolarHBondContact O-N 3.29Å; I510-G513 PolarHBondContact O-N 3.43Å; I510-G513 VanDerWaalsContact O-N 3.16Å; I510-I514 HydrophobicContact CG2-CD1 3.62Å; I510-I514 HydrophobicContact CG2-CG1 4.17Å; I510-I514 WeakPolarHBondContact O-CG1 3.44Å; I510-I514 PolarHBondContact O-N 3.45Å; I510-L543 HydrophobicContact CG2-CD2 4.4Å
511	M	94.2	Very high	85.7	Confident	127 Å²	127	56.6 Å²	56.6	63%	0.626	28%	0.281	S	S	*	.	H	α-helix	trans	-59.4	-45.6	-180	-175.6	-172.9	71.5	0	0	111.8	S507 K508 Y515	S507-M511 VanDerWaalsContact O-CB 3.32Å; S507-M511 WeakPolarHBondContact O-CB 3.26Å; S507-M511 PolarHBondContact O-N 3.11Å; K508-M511 PolarHBondContact O-N 3.23Å; M511-Y515 WeakPolarHBondContact O-CB 3.31Å; M511-Y515 PolarHBondContact O-N 3.06Å
512	V	94.6	Very high	87.3	Confident	16 Å²	16	54 Å²	54	10%	0.097	27%	0.268	C	S	.	.	H	α-helix	trans	-66.6	-39.8	175.6	176	0	0	0	0	110.9	F400 M457 K508 I510 Y515 I516 F542	F400-V512 HydrophobicContact CE2-CG1 4.48Å; F400-V512 HydrophobicContact CZ-CG2 4.46Å; M457-V512 HydrophobicContact SD-CG2 3.78Å; K508-V512 WeakPolarHBondContact O-CG2 3.48Å; K508-V512 PolarHBondContact O-N 2.89Å; I510-V512 PolarHBondContact O-N 3.29Å; V512-Y515 PolarHBondContact O-N 2.88Å; V512-I516 HydrophobicContact CG1-CD1 3.79Å; V512-I516 HydrophobicContact CG1-CG1 4.27Å; V512-I516 VanDerWaalsContact O-CG1 3.32Å; V512-I516 WeakPolarHBondContact O-CG1 3.36Å; V512-I516 PolarHBondContact O-N 3.17Å; V512-F542 HydrophobicContact CB-CD1 3.94Å; V512-F542 HydrophobicContact CB-CE1 3.98Å; V512-F542 HydrophobicContact CB-CG 4.45Å; V512-F542 HydrophobicContact CG1-CD1 3.81Å; V512-F542 HydrophobicContact CG1-CD2 4.12Å; V512-F542 HydrophobicContact CG1-CE1 3.58Å; V512-F542 HydrophobicContact CG1-CE2 3.91Å; V512-F542 HydrophobicContact CG1-CG 4.08Å; V512-F542 HydrophobicContact CG1-CZ 3.64Å
513	G	95.6	Very high	89	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60.6	-46.3	176.1	0	0	0	0	0	113.1	E509 I510 I516 L517 F542	E509-G513 PolarHBondContact O-N 3.26Å; I510-G513 PolarHBondContact O-N 3.43Å; I510-G513 VanDerWaalsContact O-N 3.16Å; G513-I516 PolarHBondContact O-N 2.79Å; G513-L517 VanDerWaalsContact O-CB 3.27Å; G513-L517 WeakPolarHBondContact O-CB 3.48Å; G513-L517 PolarHBondContact O-N 3.43Å; G513-F542 VanDerWaalsContact CA-CB 3.48Å
514	I	95.5	Very high	90.3	Very high	79 Å²	79	42.8 Å²	42.8	41%	0.405	22%	0.215	S	C	.	.	H	α-helix	trans	-62.9	-44.9	175.1	-67.4	170.3	0	0	0	110.3	I510 I516 L517 C518 L543	I510-I514 HydrophobicContact CG2-CD1 3.62Å; I510-I514 HydrophobicContact CG2-CG1 4.17Å; I510-I514 WeakPolarHBondContact O-CG1 3.44Å; I510-I514 PolarHBondContact O-N 3.45Å; I514-I516 PolarHBondContact O-N 3.48Å; I514-L517 WeakPolarHBondContact O-CB 3.34Å; I514-L517 PolarHBondContact O-N 2.99Å; I514-C518 PolarHBondContact O-N 3.01Å; I514-C518 PolarHBondContact O-SG 3.36Å; I514-L543 HydrophobicContact CG1-CD2 4.2Å
515	Y	95.8	Very high	91.2	Very high	61 Å²	61	43.6 Å²	43.6	24%	0.239	22%	0.221	C	C	.	.	H	α-helix	trans	-57.9	-50.7	177	160.2	-103	0	0	0	112	C404 V405 P408 T409 M511 V512 L517 C518 C519	C404-Y515 WeakPolarHBondContact O-CE1 3.33Å; V405-Y515 PolarHBondContact O-OH 2.77Å; P408-Y515 HydrophobicContact CB-CE1 4.17Å; T409-Y515 PolarHBondContact OG1-OH 2.92Å; M511-Y515 WeakPolarHBondContact O-CB 3.31Å; M511-Y515 PolarHBondContact O-N 3.06Å; V512-Y515 PolarHBondContact O-N 2.88Å; Y515-L517 VanDerWaalsContact C-N 3.29Å; Y515-L517 PolarHBondContact O-N 3.49Å; Y515-C518 PolarHBondContact O-N 2.78Å; Y515-C519 PolarHBondContact O-N 3.16Å; Y515-C519 PolarHBondContact O-SG 2.99Å
516	I	95.2	Very high	91.3	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-64.1	-36.8	177.8	-63.7	174.2	0	0	0	110.5	C404 P408 V512 G513 I514 C519 A520 L535 Q538 A539 F542	C404-I516 HydrophobicContact CB-CD1 4.22Å; P408-I516 HydrophobicContact CB-CG1 4.46Å; P408-I516 HydrophobicContact CG-CG1 4.13Å; V512-I516 HydrophobicContact CG1-CD1 3.79Å; V512-I516 HydrophobicContact CG1-CG1 4.27Å; V512-I516 VanDerWaalsContact O-CG1 3.32Å; V512-I516 WeakPolarHBondContact O-CG1 3.36Å; V512-I516 PolarHBondContact O-N 3.17Å; G513-I516 PolarHBondContact O-N 2.79Å; I514-I516 PolarHBondContact O-N 3.48Å; I516-C519 WeakPolarHBondContact O-CB 3.43Å; I516-C519 PolarHBondContact O-N 3.45Å; I516-A520 WeakPolarHBondContact O-CB 3.47Å; I516-A520 PolarHBondContact O-N 3.33Å; I516-L535 HydrophobicContact CG2-CB 4.16Å; I516-L535 HydrophobicContact CG2-CD2 4.17Å; I516-L535 VanDerWaalsContact CG2-O 3.3Å; I516-L535 WeakPolarHBondContact CG2-O 3.48Å; I516-Q538 HydrophobicContact CD1-CG 3.94Å; I516-Q538 HydrophobicContact CG2-CB 4.3Å; I516-A539 HydrophobicContact CB-CB 4.18Å; I516-A539 HydrophobicContact CG2-CB 3.97Å; I516-F542 HydrophobicContact CD1-CD2 3.7Å; I516-F542 HydrophobicContact CD1-CE2 3.68Å
517	L	95.3	Very high	90.6	Very high	34 Å²	34	45.6 Å²	45.6	18%	0.178	23%	0.233	C	C	.	.	H	α-helix	trans	-61.5	-48.2	176.3	-176.4	62.1	0	0	0	111.3	G513 I514 Y515 C519 A520 C521 F536 A539 L543	G513-L517 VanDerWaalsContact O-CB 3.27Å; G513-L517 WeakPolarHBondContact O-CB 3.48Å; G513-L517 PolarHBondContact O-N 3.43Å; I514-L517 WeakPolarHBondContact O-CB 3.34Å; I514-L517 PolarHBondContact O-N 2.99Å; Y515-L517 VanDerWaalsContact C-N 3.29Å; Y515-L517 PolarHBondContact O-N 3.49Å; L517-C519 VanDerWaalsContact C-N 3.27Å; L517-C519 PolarHBondContact O-N 3.27Å; L517-A520 WeakPolarHBondContact O-CB 3.27Å; L517-A520 PolarHBondContact O-N 3.18Å; L517-A520 VanDerWaalsContact O-N 3.07Å; L517-C521 PolarHBondContact O-N 3.23Å; L517-C521 PolarHBondContact O-SG 3.21Å; L517-C521 VanDerWaalsContact O-SG 3.36Å; L517-F536 HydrophobicContact CD1-CD1 3.74Å; L517-F536 HydrophobicContact CD1-CE1 3.73Å; L517-A539 HydrophobicContact CB-CB 3.86Å; L517-A539 HydrophobicContact CD1-CB 4.28Å; L517-L543 HydrophobicContact CD2-CD1 4.41Å
518	C	93	Very high	89.1	Confident	9 Å²	9	50 Å²	50	6%	0.061	25%	0.25	C	C	.	.	H	α-helix	trans	-64.8	-34.3	178.6	-50.8	0	0	0	0	110.7	L11 C15 I514 Y515 Y522	L11-C518 HydrophobicContact CD1-CB 4.42Å; L11-C518 HydrophobicContact CD2-CB 3.52Å; L11-C518 HydrophobicContact CG-CB 3.62Å; C15-C518 WeakPolarHBondContact CB-SG 3.49Å; C15-C518 WeakPolarHBondContact SG-CB 3.47Å; C15-C518 CovalentContact SG-SG 2.08Å; C15-C518 PolarHBondContact SG-SG 3.17Å; I514-C518 PolarHBondContact O-N 3.01Å; I514-C518 PolarHBondContact O-SG 3.36Å; Y515-C518 PolarHBondContact O-N 2.78Å; C518-Y522 WeakPolarHBondContact O-CB 3.49Å; C518-Y522 PolarHBondContact O-N 2.96Å
519	C	92.4	Very high	88	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-63.8	-40.5	169.8	-64.1	0	0	0	0	112.7	P408 V411 F412 Y515 I516 L517 Y522 G523 L535	P408-C519 HydrophobicContact CB-CB 3.97Å; V411-C519 HydrophobicContact CG2-CB 4.16Å; F412-C519 VanDerWaalsContact CE2-SG 3.59Å; Y515-C519 PolarHBondContact O-N 3.16Å; Y515-C519 PolarHBondContact O-SG 2.99Å; I516-C519 WeakPolarHBondContact O-CB 3.43Å; I516-C519 PolarHBondContact O-N 3.45Å; L517-C519 VanDerWaalsContact C-N 3.27Å; L517-C519 PolarHBondContact O-N 3.27Å; C519-Y522 PolarHBondContact O-N 2.9Å; C519-G523 PolarHBondContact O-N 3.08Å; C519-L535 HydrophobicContact CB-CD1 4.37Å
520	A	92.5	Very high	87.5	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-64.6	-45.9	177.6	0	0	0	0	0	111.4	I516 L517 G523 L524 L535 F536	I516-A520 WeakPolarHBondContact O-CB 3.47Å; I516-A520 PolarHBondContact O-N 3.33Å; L517-A520 WeakPolarHBondContact O-CB 3.27Å; L517-A520 PolarHBondContact O-N 3.18Å; L517-A520 VanDerWaalsContact O-N 3.07Å; A520-G523 PolarHBondContact O-N 2.94Å; A520-L524 PolarHBondContact O-N 3.26Å; A520-L535 HydrophobicContact CB-CB 3.56Å; A520-F536 HydrophobicContact CB-CD1 3.79Å; A520-F536 HydrophobicContact CB-CD2 3.97Å; A520-F536 HydrophobicContact CB-CE1 3.85Å; A520-F536 HydrophobicContact CB-CE2 4.02Å; A520-F536 HydrophobicContact CB-CG 3.83Å; A520-F536 HydrophobicContact CB-CZ 3.96Å
521	C	91.8	Very high	87.2	Confident	13 Å²	13	54.9 Å²	54.9	9%	0.088	28%	0.283	C	S	.	.	H	α-helix	trans	-59.3	-47.2	174	-67.7	0	0	0	0	111	L517 G523 L524 F525	L517-C521 PolarHBondContact O-N 3.23Å; L517-C521 PolarHBondContact O-SG 3.21Å; L517-C521 VanDerWaalsContact O-SG 3.36Å; C521-G523 VanDerWaalsContact C-N 3.33Å; C521-G523 PolarHBondContact O-N 3.16Å; C521-L524 WeakPolarHBondContact O-CB 3.37Å; C521-L524 PolarHBondContact O-N 2.97Å; C521-L524 VanDerWaalsContact O-N 3.17Å; C521-F525 WeakPolarHBondContact O-CD2 3.34Å; C521-F525 PolarHBondContact O-N 3.02Å; C521-F525 VanDerWaalsContact O-N 3.07Å
522	Y	89.3	Confident	86.9	Confident	68 Å²	68	51.8 Å²	51.8	27%	0.267	27%	0.265	S	S	.	.	H	α-helix	trans	-59.3	-44.7	176	-174.5	-85	0	0	0	111.8	V411 F412 C518 C519 L524 F525 F526	V411-Y522 HydrophobicContact CB-CD1 4.11Å; V411-Y522 HydrophobicContact CG2-CD1 3.79Å; V411-Y522 HydrophobicContact CG2-CG 4.49Å; V411-Y522 VanDerWaalsContact O-CE1 3.29Å; V411-Y522 WeakPolarHBondContact O-CE1 3.42Å; F412-Y522 AromaticContact CD1-CD1 3.83Å; F412-Y522 HydrophobicContact CD1-CD1 3.83Å; F412-Y522 HydrophobicContact CD1-CD2 4.09Å; F412-Y522 AromaticContact CD1-CE1 3.79Å; F412-Y522 HydrophobicContact CD1-CE1 3.79Å; F412-Y522 HydrophobicContact CD1-CE2 4.03Å; F412-Y522 AromaticContact CD1-CG 3.99Å; F412-Y522 HydrophobicContact CD1-CG 3.99Å; F412-Y522 AromaticContact CD1-CZ 3.88Å; F412-Y522 AromaticContact CE1-CD1 3.79Å; F412-Y522 HydrophobicContact CE1-CD1 3.79Å; F412-Y522 AromaticContact CE1-CD2 3.62Å; F412-Y522 HydrophobicContact CE1-CD2 3.62Å; F412-Y522 HydrophobicContact CE1-CE1 4.18Å; F412-Y522 HydrophobicContact CE1-CE2 4.01Å; F412-Y522 AromaticContact CE1-CG 3.49Å; F412-Y522 HydrophobicContact CE1-CG 3.49Å; F412-Y522 VanDerWaalsContact CE1-CG 3.49Å; F412-Y522 HydrophobicContact CZ-CG 4.33Å; C518-Y522 WeakPolarHBondContact O-CB 3.49Å; C518-Y522 PolarHBondContact O-N 2.96Å; C519-Y522 PolarHBondContact O-N 2.9Å; Y522-L524 VanDerWaalsContact C-N 3.29Å; Y522-L524 PolarHBondContact O-N 3.32Å; Y522-F525 PolarHBondContact O-N 3.29Å; Y522-F526 HydrophobicContact CD1-CB 4.43Å; Y522-F526 HydrophobicContact CD1-CD2 4.36Å; Y522-F526 AromaticContact CD2-CD2 3.58Å; Y522-F526 HydrophobicContact CD2-CD2 3.58Å; Y522-F526 HydrophobicContact CD2-CE2 4.02Å; Y522-F526 HydrophobicContact CE1-CB 4.02Å; Y522-F526 HydrophobicContact CE1-CD2 4.32Å; Y522-F526 HydrophobicContact CE1-CG 4.49Å; Y522-F526 AromaticContact CE2-CD2 3.56Å; Y522-F526 HydrophobicContact CE2-CD2 3.56Å; Y522-F526 HydrophobicContact CE2-CE2 4.04Å; Y522-F526 HydrophobicContact CE2-CG 4.21Å; Y522-F526 HydrophobicContact CG-CD2 4.01Å; Y522-F526 AromaticContact CZ-CD2 3.95Å; Y522-F526 WeakPolarHBondContact O-CD2 3.2Å; Y522-F526 PolarHBondContact O-N 3.48Å
523	G	86.6	Confident	86.7	Confident	2 Å²	2	55.1 Å²	55.1	2%	0.021	28%	0.282	C	S	.	.	H	α-helix	trans	-62.3	-32.7	176.2	0	0	0	0	0	113.7	C519 A520 C521 G527	C519-G523 PolarHBondContact O-N 3.08Å; A520-G523 PolarHBondContact O-N 2.94Å; C521-G523 VanDerWaalsContact C-N 3.33Å; C521-G523 PolarHBondContact O-N 3.16Å; G523-G527 CarbonylContact O-C 3.52Å; G523-G527 WeakPolarHBondContact O-CA 3.25Å; G523-G527 PolarHBondContact O-N 3.43Å
524	L	87.7	Confident	86.5	Confident	79 Å²	79	57.4 Å²	57.4	41%	0.414	29%	0.291	S	S	.	.	H	α-helix	trans	-70.5	-42	175.6	-179.5	68	0	0	0	112.4	A520 C521 Y522 Y532 F536	A520-L524 PolarHBondContact O-N 3.26Å; C521-L524 WeakPolarHBondContact O-CB 3.37Å; C521-L524 PolarHBondContact O-N 2.97Å; C521-L524 VanDerWaalsContact O-N 3.17Å; Y522-L524 VanDerWaalsContact C-N 3.29Å; Y522-L524 PolarHBondContact O-N 3.32Å; L524-Y532 HydrophobicContact CB-CD2 4.48Å; L524-Y532 HydrophobicContact CB-CG 4.39Å; L524-Y532 HydrophobicContact CD1-CD1 4.49Å; L524-Y532 HydrophobicContact CD1-CD2 3.8Å; L524-Y532 HydrophobicContact CD1-CE1 4.43Å; L524-Y532 HydrophobicContact CD1-CE2 3.69Å; L524-Y532 HydrophobicContact CD1-CG 4.24Å; L524-F536 HydrophobicContact CB-CE2 4.19Å; L524-F536 HydrophobicContact CB-CZ 4.47Å; L524-F536 HydrophobicContact CD2-CE2 4.12Å; L524-F536 HydrophobicContact CD2-CZ 4.1Å
525	F	85.6	Confident	86.4	Confident	114 Å²	114	53.6 Å²	53.6	50%	0.5	27%	0.271	S	S	.	.	H	α-helix	trans	-82.6	-32.8	-176.5	-71.9	-66.5	0	0	0	113.8	C521 Y522	C521-F525 WeakPolarHBondContact O-CD2 3.34Å; C521-F525 PolarHBondContact O-N 3.02Å; C521-F525 VanDerWaalsContact O-N 3.07Å; Y522-F525 PolarHBondContact O-N 3.29Å
526	F	81.3	Confident	86.4	Confident	89 Å²	89	53 Å²	53	39%	0.39	27%	0.27	S	S	.	.	H	α-helix	trans	-121.3	-14.7	-171.9	-59.4	-73.4	0	0	0	114.3	I42 Y522	I42-F526 HydrophobicContact CD1-CZ 4.1Å; I42-F526 HydrophobicContact CG2-CE1 4.4Å; I42-F526 HydrophobicContact CG2-CZ 3.9Å; Y522-F526 HydrophobicContact CD1-CB 4.43Å; Y522-F526 HydrophobicContact CD1-CD2 4.36Å; Y522-F526 AromaticContact CD2-CD2 3.58Å; Y522-F526 HydrophobicContact CD2-CD2 3.58Å; Y522-F526 HydrophobicContact CD2-CE2 4.02Å; Y522-F526 HydrophobicContact CE1-CB 4.02Å; Y522-F526 HydrophobicContact CE1-CD2 4.32Å; Y522-F526 HydrophobicContact CE1-CG 4.49Å; Y522-F526 AromaticContact CE2-CD2 3.56Å; Y522-F526 HydrophobicContact CE2-CD2 3.56Å; Y522-F526 HydrophobicContact CE2-CE2 4.04Å; Y522-F526 HydrophobicContact CE2-CG 4.21Å; Y522-F526 HydrophobicContact CG-CD2 4.01Å; Y522-F526 AromaticContact CZ-CD2 3.95Å; Y522-F526 WeakPolarHBondContact O-CD2 3.2Å; Y522-F526 PolarHBondContact O-N 3.48Å
527	G	70.6	Confident	86.4	Confident	31 Å²	31	57.1 Å²	57.1	32%	0.32	29%	0.29	S	S	.	.			trans	-97.4	146.6	-174.9	0	0	0	0	0	112.6	G523	G523-G527 CarbonylContact O-C 3.52Å; G523-G527 WeakPolarHBondContact O-CA 3.25Å; G523-G527 PolarHBondContact O-N 3.43Å
528	N	56.8	Low	86.4	Confident	180 Å²	180	55.5 Å²	55.5	96%	0.963	28%	0.282	S	S	*	.			trans	-101.3	20.8	176.6	-117.5	-5.6	0	0	0	112.7
529	T	67.9	Low	86.6	Confident	80 Å²	80	55 Å²	55	49%	0.491	28%	0.279	S	S	.	.	S	Bend	trans	-119.6	137.8	-172	54.7	0	0	0	0	111.9	L531 Y532	T529-L531 PolarHBondContact O-N 3.27Å; T529-Y532 WeakPolarHBondContact O-CD1 3.39Å
530	L	82.3	Confident	86.7	Confident	135 Å²	135	58.7 Å²	58.7	71%	0.707	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-2.5	172.3	-77.5	156.4	0	0	0	114.2	Y532 L533	L530-Y532 PolarHBondContact O-N 3.02Å; L530-L533 HydrophobicContact CD2-CD1 3.73Å; L530-L533 PolarHBondContact O-N 2.87Å
531	L	87.5	Confident	86.9	Confident	35 Å²	35	59.4 Å²	59.4	18%	0.183	31%	0.307	C	S	.	.	H	α-helix	trans	-56.6	-33.6	177.4	-179.1	60.1	0	0	0	112.4	L407 V411 T529 L533 Y534 L535	L407-L531 HydrophobicContact CD1-CD1 3.86Å; L407-L531 HydrophobicContact CD1-CD2 3.96Å; L407-L531 HydrophobicContact CD2-CD1 3.97Å; L407-L531 HydrophobicContact CG-CD1 3.83Å; L407-L531 HydrophobicContact CG-CD2 4.37Å; V411-L531 HydrophobicContact CG1-CD2 4.21Å; T529-L531 PolarHBondContact O-N 3.27Å; L531-L533 PolarHBondContact O-N 3.16Å; L531-Y534 HydrophobicContact CD1-CD1 3.97Å; L531-Y534 PolarHBondContact O-N 2.89Å; L531-Y534 VanDerWaalsContact O-N 3.14Å; L531-L535 HydrophobicContact CD1-CG 4.32Å; L531-L535 HydrophobicContact CD2-CD1 4.42Å; L531-L535 HydrophobicContact CG-CD1 4.04Å; L531-L535 HydrophobicContact CG-CG 4.08Å; L531-L535 WeakPolarHBondContact O-CG 3.5Å; L531-L535 PolarHBondContact O-N 3.41Å
532	Y	87.5	Confident	87.1	Confident	63 Å²	63	58.8 Å²	58.8	25%	0.247	30%	0.303	C	S	.	.	H	α-helix	trans	-57.9	-35.6	-179.8	69.3	-97.9	0	0	0	112.3	L524 T529 L530 Y534 L535 F536	L524-Y532 HydrophobicContact CB-CD2 4.48Å; L524-Y532 HydrophobicContact CB-CG 4.39Å; L524-Y532 HydrophobicContact CD1-CD1 4.49Å; L524-Y532 HydrophobicContact CD1-CD2 3.8Å; L524-Y532 HydrophobicContact CD1-CE1 4.43Å; L524-Y532 HydrophobicContact CD1-CE2 3.69Å; L524-Y532 HydrophobicContact CD1-CG 4.24Å; T529-Y532 WeakPolarHBondContact O-CD1 3.39Å; L530-Y532 PolarHBondContact O-N 3.02Å; Y532-Y534 PolarHBondContact O-N 3.34Å; Y532-L535 PolarHBondContact O-N 2.95Å; Y532-F536 AromaticContact CD2-CD2 3.95Å; Y532-F536 HydrophobicContact CD2-CD2 3.95Å; Y532-F536 AromaticContact CD2-CE2 3.92Å; Y532-F536 HydrophobicContact CD2-CE2 3.92Å; Y532-F536 WeakPolarHBondContact O-CD2 2.85Å; Y532-F536 PolarHBondContact O-N 3.28Å
533	L	91	Very high	87.4	Confident	85 Å²	85	58 Å²	58	45%	0.445	30%	0.303	S	S	.	.	H	α-helix	trans	-62.1	-45.8	178.1	-69.4	173.6	0	0	0	111.3	L530 L531 F536 M537	L530-L533 HydrophobicContact CD2-CD1 3.73Å; L530-L533 PolarHBondContact O-N 2.87Å; L531-L533 PolarHBondContact O-N 3.16Å; L533-F536 PolarHBondContact O-N 3.13Å; L533-M537 WeakPolarHBondContact O-CG 3.39Å; L533-M537 PolarHBondContact O-N 3.05Å; L533-M537 VanDerWaalsContact O-N 3.12Å
534	Y	92	Very high	87.7	Confident	48 Å²	48	61.6 Å²	61.6	19%	0.188	32%	0.321	C	S	.	.	H	α-helix	trans	-62.1	-44.5	174.7	166.6	-100.7	0	0	0	111.3	L407 L450 N453 L531 Y532 F536 M537 Q538	L407-Y534 HydrophobicContact CD2-CD1 4.25Å; L407-Y534 HydrophobicContact CD2-CE1 3.82Å; L450-Y534 HydrophobicContact CD2-CE2 4.25Å; N453-Y534 PolarHBondContact ND2-OH 3.01Å; L531-Y534 HydrophobicContact CD1-CD1 3.97Å; L531-Y534 PolarHBondContact O-N 2.89Å; L531-Y534 VanDerWaalsContact O-N 3.14Å; Y532-Y534 PolarHBondContact O-N 3.34Å; Y534-F536 PolarHBondContact O-N 2.88Å; Y534-M537 PolarHBondContact O-N 3.39Å; Y534-Q538 WeakPolarHBondContact O-CB 3.44Å; Y534-Q538 PolarHBondContact O-N 3.06Å; Y534-Q538 PolarHBondContact OH-OE1 2.87Å
535	L	93.7	Very high	87.9	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-64	-39	179.3	-63.3	-179.8	0	0	0	112.2	P408 V411 I516 C519 A520 L531 Y532 Q538 A539	P408-L535 HydrophobicContact CB-CD2 3.89Å; P408-L535 HydrophobicContact CG-CD2 3.66Å; V411-L535 HydrophobicContact CG1-CD1 3.83Å; I516-L535 HydrophobicContact CG2-CB 4.16Å; I516-L535 HydrophobicContact CG2-CD2 4.17Å; I516-L535 VanDerWaalsContact CG2-O 3.3Å; I516-L535 WeakPolarHBondContact CG2-O 3.48Å; C519-L535 HydrophobicContact CB-CD1 4.37Å; A520-L535 HydrophobicContact CB-CB 3.56Å; L531-L535 HydrophobicContact CD1-CG 4.32Å; L531-L535 HydrophobicContact CD2-CD1 4.42Å; L531-L535 HydrophobicContact CG-CD1 4.04Å; L531-L535 HydrophobicContact CG-CG 4.08Å; L531-L535 WeakPolarHBondContact O-CG 3.5Å; L531-L535 PolarHBondContact O-N 3.41Å; Y532-L535 PolarHBondContact O-N 2.95Å; L535-Q538 PolarHBondContact O-N 3.2Å; L535-A539 VanDerWaalsContact O-CB 3.29Å; L535-A539 WeakPolarHBondContact O-CB 3.16Å; L535-A539 PolarHBondContact O-N 3.08Å
536	F	94.4	Very high	88	Confident	47 Å²	47	52.6 Å²	52.6	21%	0.206	28%	0.279	C	S	.	.	H	α-helix	trans	-61.5	-48	173.5	-82.4	-63	0	0	0	111.6	L517 A520 L524 Y532 L533 Y534 Q538 A539 V540	L517-F536 HydrophobicContact CD1-CD1 3.74Å; L517-F536 HydrophobicContact CD1-CE1 3.73Å; A520-F536 HydrophobicContact CB-CD1 3.79Å; A520-F536 HydrophobicContact CB-CD2 3.97Å; A520-F536 HydrophobicContact CB-CE1 3.85Å; A520-F536 HydrophobicContact CB-CE2 4.02Å; A520-F536 HydrophobicContact CB-CG 3.83Å; A520-F536 HydrophobicContact CB-CZ 3.96Å; L524-F536 HydrophobicContact CB-CE2 4.19Å; L524-F536 HydrophobicContact CB-CZ 4.47Å; L524-F536 HydrophobicContact CD2-CE2 4.12Å; L524-F536 HydrophobicContact CD2-CZ 4.1Å; Y532-F536 AromaticContact CD2-CD2 3.95Å; Y532-F536 HydrophobicContact CD2-CD2 3.95Å; Y532-F536 AromaticContact CD2-CE2 3.92Å; Y532-F536 HydrophobicContact CD2-CE2 3.92Å; Y532-F536 WeakPolarHBondContact O-CD2 2.85Å; Y532-F536 PolarHBondContact O-N 3.28Å; L533-F536 PolarHBondContact O-N 3.13Å; Y534-F536 PolarHBondContact O-N 2.88Å; F536-Q538 VanDerWaalsContact C-N 3.31Å; F536-Q538 PolarHBondContact O-N 3.43Å; F536-A539 PolarHBondContact O-N 2.64Å; F536-V540 VanDerWaalsContact O-CG2 3.3Å; F536-V540 WeakPolarHBondContact O-CG2 3.42Å; F536-V540 PolarHBondContact O-N 3.05Å
537	M	95.2	Very high	88.4	Confident	87 Å²	87	50.4 Å²	50.4	43%	0.429	27%	0.273	S	S	.	.	H	α-helix	trans	-60.6	-41.5	176.8	-69.7	-172.1	-67.7	0	0	111.9	I446 L450 L533 Y534 V540 A541	I446-M537 HydrophobicContact CG2-SD 4.44Å; L450-M537 HydrophobicContact CD1-CB 3.92Å; L450-M537 HydrophobicContact CD2-CB 4.02Å; L533-M537 WeakPolarHBondContact O-CG 3.39Å; L533-M537 PolarHBondContact O-N 3.05Å; L533-M537 VanDerWaalsContact O-N 3.12Å; Y534-M537 PolarHBondContact O-N 3.39Å; M537-V540 PolarHBondContact O-N 3.23Å; M537-A541 PolarHBondContact O-N 3.38Å
538	Q	96.2	Very high	88.9	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-67.1	-42	178.1	-169.9	61.9	60	0	0	111.9	L450 N453 I516 Y534 L535 F536 A541 F542	L450-Q538 HydrophobicContact CD2-CB 4.17Å; L450-Q538 PolarHBondContact O-NE2 2.84Å; L450-Q538 VanDerWaalsContact O-NE2 3.12Å; N453-Q538 PolarHBondContact ND2-OE1 2.63Å; I516-Q538 HydrophobicContact CD1-CG 3.94Å; I516-Q538 HydrophobicContact CG2-CB 4.3Å; Y534-Q538 WeakPolarHBondContact O-CB 3.44Å; Y534-Q538 PolarHBondContact O-N 3.06Å; Y534-Q538 PolarHBondContact OH-OE1 2.87Å; L535-Q538 PolarHBondContact O-N 3.2Å; F536-Q538 VanDerWaalsContact C-N 3.31Å; F536-Q538 PolarHBondContact O-N 3.43Å; Q538-A541 PolarHBondContact O-N 2.96Å; Q538-F542 HydrophobicContact CG-CD2 4.15Å; Q538-F542 HydrophobicContact CG-CE2 4.11Å; Q538-F542 WeakPolarHBondContact O-CD2 3.49Å; Q538-F542 PolarHBondContact O-N 3.22Å; Q538-F542 VanDerWaalsContact O-N 3.08Å
539	A	96.3	Very high	89.9	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-59.6	-47.2	174.2	0	0	0	0	0	111.4	I516 L517 L535 F536 A541 F542 L543	I516-A539 HydrophobicContact CB-CB 4.18Å; I516-A539 HydrophobicContact CG2-CB 3.97Å; L517-A539 HydrophobicContact CB-CB 3.86Å; L517-A539 HydrophobicContact CD1-CB 4.28Å; L535-A539 VanDerWaalsContact O-CB 3.29Å; L535-A539 WeakPolarHBondContact O-CB 3.16Å; L535-A539 PolarHBondContact O-N 3.08Å; F536-A539 PolarHBondContact O-N 2.64Å; A539-A541 VanDerWaalsContact C-N 3.33Å; A539-A541 PolarHBondContact O-N 3.46Å; A539-F542 PolarHBondContact O-N 3Å; A539-L543 VanDerWaalsContact O-CG 3.3Å; A539-L543 WeakPolarHBondContact O-CG 3.44Å; A539-L543 PolarHBondContact O-N 3.2Å
540	V	95.7	Very high	90.6	Very high	76 Å²	76	45 Å²	45	46%	0.461	23%	0.231	S	C	.	.	H	α-helix	trans	-58.8	-44	176.6	170.1	0	0	0	0	111.1	F536 M537 F542 L543 I544	F536-V540 VanDerWaalsContact O-CG2 3.3Å; F536-V540 WeakPolarHBondContact O-CG2 3.42Å; F536-V540 PolarHBondContact O-N 3.05Å; M537-V540 PolarHBondContact O-N 3.23Å; V540-F542 PolarHBondContact O-N 3.22Å; V540-L543 PolarHBondContact O-N 3.09Å; V540-I544 HydrophobicContact CG1-CD1 3.57Å; V540-I544 HydrophobicContact CG1-CG1 4.18Å; V540-I544 WeakPolarHBondContact O-CB 3.42Å; V540-I544 VanDerWaalsContact O-CG1 3.28Å; V540-I544 WeakPolarHBondContact O-CG1 3.14Å; V540-I544 PolarHBondContact O-N 2.78Å
541	A	95.5	Very high	90.7	Very high	16 Å²	16	40 Å²	40	13%	0.132	21%	0.211	C	C	.	.	H	α-helix	trans	-61.4	-41.6	177.7	0	0	0	0	0	113	L450 V454 M537 Q538 A539 S545	L450-A541 HydrophobicContact CB-CB 3.75Å; V454-A541 HydrophobicContact CG2-CB 4.27Å; M537-A541 PolarHBondContact O-N 3.38Å; Q538-A541 PolarHBondContact O-N 2.96Å; A539-A541 VanDerWaalsContact C-N 3.33Å; A539-A541 PolarHBondContact O-N 3.46Å; A541-S545 WeakPolarHBondContact O-CB 3.05Å; A541-S545 PolarHBondContact O-N 3.18Å; A541-S545 VanDerWaalsContact O-N 3.09Å; A541-S545 PolarHBondContact O-OG 3.16Å
542	F	96.1	Very high	90.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-65.2	-42.9	174	-90.8	-78.2	0	0	0	112.1	F400 C404 V454 M457 E509 V512 G513 I516 Q538 A539 V540 S545 G546	F400-F542 HydrophobicContact CE2-CZ 4.45Å; C404-F542 HydrophobicContact CB-CE2 4.36Å; C404-F542 HydrophobicContact CB-CZ 4.36Å; V454-F542 HydrophobicContact CB-CD1 4.44Å; V454-F542 HydrophobicContact CB-CE1 4.24Å; V454-F542 HydrophobicContact CB-CZ 4.4Å; V454-F542 HydrophobicContact CG1-CD1 4.24Å; V454-F542 HydrophobicContact CG1-CE1 4.22Å; V454-F542 HydrophobicContact CG2-CB 4.48Å; V454-F542 HydrophobicContact CG2-CD1 3.93Å; V454-F542 HydrophobicContact CG2-CD2 3.93Å; V454-F542 HydrophobicContact CG2-CE1 4.08Å; V454-F542 HydrophobicContact CG2-CE2 4.07Å; V454-F542 HydrophobicContact CG2-CG 3.85Å; V454-F542 HydrophobicContact CG2-CZ 4.14Å; M457-F542 HydrophobicContact CB-CE1 4.45Å; M457-F542 HydrophobicContact SD-CE1 4.25Å; E509-F542 HydrophobicContact CB-CD1 4.39Å; V512-F542 HydrophobicContact CB-CD1 3.94Å; V512-F542 HydrophobicContact CB-CE1 3.98Å; V512-F542 HydrophobicContact CB-CG 4.45Å; V512-F542 HydrophobicContact CG1-CD1 3.81Å; V512-F542 HydrophobicContact CG1-CD2 4.12Å; V512-F542 HydrophobicContact CG1-CE1 3.58Å; V512-F542 HydrophobicContact CG1-CE2 3.91Å; V512-F542 HydrophobicContact CG1-CG 4.08Å; V512-F542 HydrophobicContact CG1-CZ 3.64Å; G513-F542 VanDerWaalsContact CA-CB 3.48Å; I516-F542 HydrophobicContact CD1-CD2 3.7Å; I516-F542 HydrophobicContact CD1-CE2 3.68Å; Q538-F542 HydrophobicContact CG-CD2 4.15Å; Q538-F542 HydrophobicContact CG-CE2 4.11Å; Q538-F542 WeakPolarHBondContact O-CD2 3.49Å; Q538-F542 PolarHBondContact O-N 3.22Å; Q538-F542 VanDerWaalsContact O-N 3.08Å; A539-F542 PolarHBondContact O-N 3Å; V540-F542 PolarHBondContact O-N 3.22Å; F542-S545 PolarHBondContact O-N 3.37Å; F542-G546 PolarHBondContact O-N 3.39Å
543	L	95	Very high	90.4	Very high	50 Å²	50	41.6 Å²	41.6	26%	0.262	23%	0.228	S	C	.	.	H	α-helix	trans	-66	-44	178.8	-68.7	171.4	0	0	0	112	I510 I514 L517 A539 V540 S545 G546 V547	I510-L543 HydrophobicContact CG2-CD2 4.4Å; I514-L543 HydrophobicContact CG1-CD2 4.2Å; L517-L543 HydrophobicContact CD2-CD1 4.41Å; A539-L543 VanDerWaalsContact O-CG 3.3Å; A539-L543 WeakPolarHBondContact O-CG 3.44Å; A539-L543 PolarHBondContact O-N 3.2Å; V540-L543 PolarHBondContact O-N 3.09Å; L543-S545 VanDerWaalsContact C-N 3.33Å; L543-S545 PolarHBondContact O-N 3.1Å; L543-G546 CarbonylContact O-C 3.44Å; L543-G546 WeakPolarHBondContact O-CA 3.21Å; L543-G546 PolarHBondContact O-N 2.86Å; L543-G546 VanDerWaalsContact O-N 3.08Å; L543-V547 WeakPolarHBondContact O-CG2 3.42Å; L543-V547 PolarHBondContact O-N 2.75Å
544	I	92.9	Very high	90.4	Very high	79 Å²	79	39.3 Å²	39.3	41%	0.405	22%	0.216	S	C	.	.	H	α-helix	trans	-60.2	-44.5	175.5	-69.7	171.8	0	0	0	110.8	V540 G546 V547 G548 F549 V550	V540-I544 HydrophobicContact CG1-CD1 3.57Å; V540-I544 HydrophobicContact CG1-CG1 4.18Å; V540-I544 WeakPolarHBondContact O-CB 3.42Å; V540-I544 VanDerWaalsContact O-CG1 3.28Å; V540-I544 WeakPolarHBondContact O-CG1 3.14Å; V540-I544 PolarHBondContact O-N 2.78Å; I544-G546 VanDerWaalsContact C-N 3.27Å; I544-G546 PolarHBondContact O-N 2.95Å; I544-V547 PolarHBondContact O-N 2.94Å; I544-G548 PolarHBondContact O-N 2.86Å; I544-F549 HydrophobicContact CG2-CB 4.03Å; I544-F549 PolarHBondContact O-N 3.12Å; I544-F549 VanDerWaalsContact O-N 3.17Å; I544-V550 HydrophobicContact CG2-CG2 3.96Å
545	S	91.7	Very high	90.3	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.021	22%	0.218	C	C	.	.	H	α-helix	trans	-65.3	-34.2	174.9	-55.5	0	0	0	0	112	N506 A541 F542 L543 G548	N506-S545 PolarHBondContact ND2-O 3.24Å; N506-S545 VanDerWaalsContact ND2-O 3.13Å; A541-S545 WeakPolarHBondContact O-CB 3.05Å; A541-S545 PolarHBondContact O-N 3.18Å; A541-S545 VanDerWaalsContact O-N 3.09Å; A541-S545 PolarHBondContact O-OG 3.16Å; F542-S545 PolarHBondContact O-N 3.37Å; L543-S545 VanDerWaalsContact C-N 3.33Å; L543-S545 PolarHBondContact O-N 3.1Å; S545-G548 PolarHBondContact O-N 3.27Å
546	G	89.3	Confident	90.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-64.3	-42.3	175.4	0	0	0	0	0	113.6	V505 N506 F542 L543 I544 G548	V505-G546 CarbonylContact C-O 3.5Å; V505-G546 WeakPolarHBondContact CA-O 3.3Å; N506-G546 PolarHBondContact N-O 2.79Å; F542-G546 PolarHBondContact O-N 3.39Å; L543-G546 CarbonylContact O-C 3.44Å; L543-G546 WeakPolarHBondContact O-CA 3.21Å; L543-G546 PolarHBondContact O-N 2.86Å; L543-G546 VanDerWaalsContact O-N 3.08Å; I544-G546 VanDerWaalsContact C-N 3.27Å; I544-G546 PolarHBondContact O-N 2.95Å; G546-G548 PolarHBondContact O-N 3.15Å
547	V	88.1	Confident	89.9	Confident	44 Å²	44	40.7 Å²	40.7	27%	0.267	23%	0.232	S	C	.	.	H	α-helix	trans	-78.4	-10.2	176.2	-174.7	0	0	0	0	111.8	F501 L543 I544 F549	F501-V547 HydrophobicContact CE2-CG1 3.7Å; F501-V547 HydrophobicContact CZ-CG1 3.53Å; L543-V547 WeakPolarHBondContact O-CG2 3.42Å; L543-V547 PolarHBondContact O-N 2.75Å; I544-V547 PolarHBondContact O-N 2.94Å; V547-F549 HydrophobicContact CB-CD2 3.95Å; V547-F549 HydrophobicContact CB-CE2 4.4Å; V547-F549 HydrophobicContact CG1-CD2 3.53Å; V547-F549 HydrophobicContact CG1-CE2 3.49Å; V547-F549 VanDerWaalsContact CG1-CE2 3.49Å
548	G	81.5	Confident	89.5	Confident	13 Å²	13	37.6 Å²	37.6	13%	0.134	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.3	22.2	176.5	0	0	0	0	0	114.1	I544 S545 G546 V550	I544-G548 PolarHBondContact O-N 2.86Å; S545-G548 PolarHBondContact O-N 3.27Å; G546-G548 PolarHBondContact O-N 3.15Å; G548-V550 PolarHBondContact O-N 2.79Å
549	F	78.8	Confident	89	Confident	143 Å²	143	40.3 Å²	40.3	63%	0.627	24%	0.235	S	C	*	.			trans	-83.1	28.6	175.3	-81.6	-71.5	0	0	0	113.2	F501 I544 V547	F501-F549 HydrophobicContact CE2-CE2 4.23Å; I544-F549 HydrophobicContact CG2-CB 4.03Å; I544-F549 PolarHBondContact O-N 3.12Å; I544-F549 VanDerWaalsContact O-N 3.17Å; V547-F549 HydrophobicContact CB-CD2 3.95Å; V547-F549 HydrophobicContact CB-CE2 4.4Å; V547-F549 HydrophobicContact CG1-CD2 3.53Å; V547-F549 HydrophobicContact CG1-CE2 3.49Å; V547-F549 VanDerWaalsContact CG1-CE2 3.49Å
550	V	82.2	Confident	88.5	Confident	21 Å²	21	43.4 Å²	43.4	13%	0.127	25%	0.253	C	S	.	.	S	Bend	trans	-116.7	134.3	179	-175.1	0	0	0	0	109.2	M260 F344 F451 I544 G548	M260-V550 HydrophobicContact CB-CG1 4.04Å; M260-V550 HydrophobicContact CG-CG1 3.99Å; M260-V550 HydrophobicContact SD-CG1 3.78Å; F344-V550 HydrophobicContact CB-CB 4.33Å; F344-V550 WeakPolarHBondContact CB-O 3.26Å; F344-V550 HydrophobicContact CD2-CB 4.17Å; F344-V550 HydrophobicContact CD2-CG1 4.01Å; F344-V550 HydrophobicContact CE2-CG1 4.47Å; F344-V550 HydrophobicContact CG-CB 4.16Å; F344-V550 HydrophobicContact CG-CG1 4.43Å; F451-V550 HydrophobicContact CD2-CG1 4.37Å; F451-V550 HydrophobicContact CE2-CG1 3.71Å; F451-V550 HydrophobicContact CZ-CG1 4.31Å; I544-V550 HydrophobicContact CG2-CG2 3.96Å; G548-V550 PolarHBondContact O-N 2.79Å
551	G	83.5	Confident	87.9	Confident	29 Å²	29	40.7 Å²	40.7	30%	0.299	24%	0.236	S	C	.	.	B	Isolated β-bridge	trans	86	-158.4	-174.7	0	0	0	0	0	113	S342	S342-G551 CarbonylContact O-C 3.52Å; S342-G551 WeakPolarHBondContact O-CA 3.47Å
552	T	80	Confident	87.2	Confident	90 Å²	90	42.9 Å²	42.9	55%	0.552	25%	0.245	S	C	*	.			trans	-102.5	0	177.6	59.1	0	0	0	0	113.2	K257 C258 S342	K257-T552 HydrophobicContact CD-CG2 4.35Å; K257-T552 HydrophobicContact CG-CG2 3.97Å; C258-T552 HydrophobicContact CB-CG2 3.97Å; S342-T552 PolarHBondContact O-N 2.82Å; S342-T552 PolarHBondContact O-OG1 3.31Å

Retrieved 552 of 552 residues in 1142 ms (Link to these results)

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