A0A5K4F634_SCHMA Loading...

DUF4368 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F634, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 186 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.5	Very low	40.4	Very low	133 Å²	133	88.8 Å²	88.8	66%	0.655	44%	0.435	S	S	*	.				0	-47.4	0	-72.1	-171	-50.5	0	0	113.7	H3 L4 L5 I53 L96	M1-H3 PolarHBondContact O-N 3.09Å; M1-H3 VanDerWaalsContact O-N 3.1Å; M1-L4 PolarHBondContact O-N 3.24Å; M1-L5 PolarHBondContact O-N 2.82Å; M1-I53 HydrophobicContact CE-CD1 3.97Å; M1-I53 HydrophobicContact CE-CG1 4.47Å; M1-L96 HydrophobicContact CE-CD1 3.95Å
2	K	34.9	Very low	40.6	Very low	89 Å²	89	82.9 Å²	82.9	39%	0.387	41%	0.407	S	S	.	.	H	α-helix	trans	-41.5	-50.5	176.4	-92.9	-171	170	-173.6	0	113	L4 L6 E99	K2-L4 PolarHBondContact O-N 3.02Å; K2-L6 VanDerWaalsContact O-CB 3.3Å; K2-L6 WeakPolarHBondContact O-CB 3.42Å; K2-L6 WeakPolarHBondContact O-CD1 3.32Å; K2-L6 PolarHBondContact O-N 3.28Å; K2-L6 VanDerWaalsContact O-N 3.08Å; K2-E99 WeakPolarHBondContact CE-OE2 3.37Å
3	H	37.2	Very low	40.9	Very low	165 Å²	165	82.5 Å²	82.5	76%	0.764	41%	0.407	S	S	*	.	H	α-helix	trans	-65.6	-34.1	179.8	-61.3	-59	0	0	0	114.8	M1 F7	M1-H3 PolarHBondContact O-N 3.09Å; M1-H3 VanDerWaalsContact O-N 3.1Å; H3-F7 WeakPolarHBondContact O-CB 2.94Å; H3-F7 PolarHBondContact O-N 3.42Å
4	L	39.4	Very low	41	Very low	118 Å²	118	84.1 Å²	84.1	62%	0.618	42%	0.417	S	S	*	.	H	α-helix	trans	-73.5	-43.6	-176.6	-135.9	91.6	0	0	0	110.6	M1 K2 F7 H8	M1-L4 PolarHBondContact O-N 3.24Å; K2-L4 PolarHBondContact O-N 3.02Å; L4-F7 WeakPolarHBondContact O-CB 3.22Å; L4-F7 PolarHBondContact O-N 3.44Å; L4-H8 PolarHBondContact O-N 3.16Å; L4-H8 PolarHBondContact O-ND1 3.24Å
5	L	42.5	Very low	40.8	Very low	37 Å²	37	81.5 Å²	81.5	19%	0.194	41%	0.405	C	S	.	.	H	α-helix	trans	-73.1	-43	-179.8	-86.6	162.8	0	0	0	112.6	M1 F7 H8 L9 L42 L46 F100	M1-L5 PolarHBondContact O-N 2.82Å; L5-F7 PolarHBondContact O-N 2.71Å; L5-H8 PolarHBondContact O-N 3.49Å; L5-L9 WeakPolarHBondContact O-CB 3.28Å; L5-L9 PolarHBondContact O-N 3.47Å; L5-L42 HydrophobicContact CD2-CD1 4.4Å; L5-L46 HydrophobicContact CD1-CD2 3.75Å; L5-L46 HydrophobicContact CD2-CD2 3.21Å; L5-L46 HydrophobicContact CD2-CG 3.69Å; L5-L46 HydrophobicContact CG-CD2 4Å; L5-F100 HydrophobicContact CD1-CD1 4.3Å; L5-F100 HydrophobicContact CD1-CE1 3.32Å; L5-F100 HydrophobicContact CD1-CZ 3.45Å; L5-F100 VanDerWaalsContact CD1-CZ 3.45Å
6	L	41.1	Very low	40.7	Very low	52 Å²	52	79.6 Å²	79.6	27%	0.272	40%	0.396	S	S	.	.	H	α-helix	trans	-60.1	-34.8	169.1	-86.8	149.9	0	0	0	111.4	K2 N10 L134	K2-L6 VanDerWaalsContact O-CB 3.3Å; K2-L6 WeakPolarHBondContact O-CB 3.42Å; K2-L6 WeakPolarHBondContact O-CD1 3.32Å; K2-L6 PolarHBondContact O-N 3.28Å; K2-L6 VanDerWaalsContact O-N 3.08Å; L6-N10 WeakPolarHBondContact O-CB 3.46Å; L6-N10 PolarHBondContact O-N 3.42Å; L6-N10 PolarHBondContact O-ND2 3.38Å; L6-L134 HydrophobicContact CD2-CD1 4.35Å
7	F	39.9	Very low	40.6	Very low	129 Å²	129	86.5 Å²	86.5	57%	0.566	42%	0.417	S	S	*	.	H	α-helix	trans	-64.4	-47.8	173.4	178.3	-95.9	0	0	0	111.3	H3 L4 L5 L9 N10 V11	H3-F7 WeakPolarHBondContact O-CB 2.94Å; H3-F7 PolarHBondContact O-N 3.42Å; L4-F7 WeakPolarHBondContact O-CB 3.22Å; L4-F7 PolarHBondContact O-N 3.44Å; L5-F7 PolarHBondContact O-N 2.71Å; F7-L9 VanDerWaalsContact C-N 3.34Å; F7-L9 PolarHBondContact O-N 3.06Å; F7-N10 PolarHBondContact O-N 2.83Å; F7-V11 HydrophobicContact CD1-CG2 4.03Å; F7-V11 HydrophobicContact CD2-CG2 4.36Å; F7-V11 HydrophobicContact CE1-CG2 3.7Å; F7-V11 HydrophobicContact CE2-CG2 4.05Å; F7-V11 HydrophobicContact CG-CG2 4.35Å; F7-V11 HydrophobicContact CZ-CG2 3.71Å; F7-V11 WeakPolarHBondContact O-CB 3.32Å; F7-V11 WeakPolarHBondContact O-CG2 3.38Å; F7-V11 PolarHBondContact O-N 2.77Å
8	H	41.4	Very low	40.4	Very low	82 Å²	82	85.3 Å²	85.3	38%	0.38	42%	0.423	S	S	.	.	H	α-helix	trans	-62.9	-40.4	177.1	-72.3	88.6	0	0	0	112.1	L4 L5 V11 L12 L42	L4-H8 PolarHBondContact O-N 3.16Å; L4-H8 PolarHBondContact O-ND1 3.24Å; L5-H8 PolarHBondContact O-N 3.49Å; H8-V11 PolarHBondContact O-N 2.96Å; H8-L12 WeakPolarHBondContact O-CB 3.48Å; H8-L12 PolarHBondContact O-N 3.4Å; H8-L42 HydrophobicContact CB-CD1 3.89Å
9	L	42.5	Very low	40.1	Very low	39 Å²	39	81.8 Å²	81.8	20%	0.204	41%	0.408	C	S	.	.	H	α-helix	trans	-65.3	-44.1	175.6	-155.7	79.9	0	0	0	111.4	L5 F7 L12 L13 L42 V103 I107	L5-L9 WeakPolarHBondContact O-CB 3.28Å; L5-L9 PolarHBondContact O-N 3.47Å; F7-L9 VanDerWaalsContact C-N 3.34Å; F7-L9 PolarHBondContact O-N 3.06Å; L9-L12 PolarHBondContact O-N 3.29Å; L9-L13 WeakPolarHBondContact O-CB 3.46Å; L9-L13 WeakPolarHBondContact O-CG 3.28Å; L9-L13 PolarHBondContact O-N 2.97Å; L9-L42 HydrophobicContact CD1-CD2 4.12Å; L9-V103 HydrophobicContact CD1-CG1 3.67Å; L9-V103 HydrophobicContact CD2-CG1 4.36Å; L9-I107 HydrophobicContact CD1-CD1 4.25Å; L9-I107 HydrophobicContact CD1-CG1 4.38Å
10	N	45.2	Very low	39.8	Very low	80 Å²	80	80.6 Å²	80.6	43%	0.428	41%	0.405	S	S	.	.	H	α-helix	trans	-64.4	-40	175.5	-80.6	-40.7	0	0	0	112	L6 F7 L12 L13 L14	L6-N10 WeakPolarHBondContact O-CB 3.46Å; L6-N10 PolarHBondContact O-N 3.42Å; L6-N10 PolarHBondContact O-ND2 3.38Å; F7-N10 PolarHBondContact O-N 2.83Å; N10-L12 VanDerWaalsContact C-N 3.31Å; N10-L13 PolarHBondContact O-N 3.48Å; N10-L14 VanDerWaalsContact O-CB 3.23Å; N10-L14 WeakPolarHBondContact O-CB 3.14Å; N10-L14 WeakPolarHBondContact O-CD1 3.47Å; N10-L14 VanDerWaalsContact O-CG 3.25Å; N10-L14 WeakPolarHBondContact O-CG 3.2Å; N10-L14 PolarHBondContact O-N 3Å
11	V	42.2	Very low	39.4	Very low	53 Å²	53	83.8 Å²	83.8	32%	0.321	42%	0.418	S	S	.	.	H	α-helix	trans	-63	-41.1	174.2	169.3	0	0	0	0	109.9	F7 H8 L14 L15	F7-V11 HydrophobicContact CD1-CG2 4.03Å; F7-V11 HydrophobicContact CD2-CG2 4.36Å; F7-V11 HydrophobicContact CE1-CG2 3.7Å; F7-V11 HydrophobicContact CE2-CG2 4.05Å; F7-V11 HydrophobicContact CG-CG2 4.35Å; F7-V11 HydrophobicContact CZ-CG2 3.71Å; F7-V11 WeakPolarHBondContact O-CB 3.32Å; F7-V11 WeakPolarHBondContact O-CG2 3.38Å; F7-V11 PolarHBondContact O-N 2.77Å; H8-V11 PolarHBondContact O-N 2.96Å; V11-L14 CarbonylContact O-C 3.59Å; V11-L14 WeakPolarHBondContact O-CB 3.4Å; V11-L14 PolarHBondContact O-N 2.77Å; V11-L15 HydrophobicContact CG1-CD1 4.18Å; V11-L15 HydrophobicContact CG1-CG 4.47Å; V11-L15 WeakPolarHBondContact O-CB 3.23Å; V11-L15 VanDerWaalsContact O-CG 3.22Å; V11-L15 WeakPolarHBondContact O-CG 3.39Å; V11-L15 PolarHBondContact O-N 3.27Å
12	L	43.6	Very low	39.3	Very low	18 Å²	18	82.2 Å²	82.2	9%	0.094	42%	0.416	C	S	.	.	H	α-helix	trans	-68	-40.3	175.4	-100	149.7	0	0	0	113.2	H8 L9 N10 L14 L15 L16 R38 L39 L42	H8-L12 WeakPolarHBondContact O-CB 3.48Å; H8-L12 PolarHBondContact O-N 3.4Å; L9-L12 PolarHBondContact O-N 3.29Å; N10-L12 VanDerWaalsContact C-N 3.31Å; L12-L14 VanDerWaalsContact C-N 3.3Å; L12-L14 PolarHBondContact O-N 3.27Å; L12-L15 PolarHBondContact O-N 3.26Å; L12-L16 WeakPolarHBondContact O-CB 3.26Å; L12-L16 PolarHBondContact O-N 2.65Å; L12-R38 HydrophobicContact CD2-CB 4.28Å; L12-L39 HydrophobicContact CD1-CD2 4.19Å; L12-L39 HydrophobicContact CD2-CD2 3.8Å; L12-L39 HydrophobicContact CD2-CG 3.99Å; L12-L39 HydrophobicContact CG-CD2 4.41Å; L12-L42 HydrophobicContact CD1-CB 4.09Å; L12-L42 HydrophobicContact CD1-CD2 3.42Å; L12-L42 VanDerWaalsContact CD1-CD2 3.42Å; L12-L42 HydrophobicContact CD1-CG 4.29Å
13	L	44.8	Very low	39.4	Very low	78 Å²	78	85.5 Å²	85.5	41%	0.408	44%	0.438	S	S	.	.	H	α-helix	trans	-64.5	-35.8	172.3	-73.3	169.2	0	0	0	111.6	L9 N10 L16 R17	L9-L13 WeakPolarHBondContact O-CB 3.46Å; L9-L13 WeakPolarHBondContact O-CG 3.28Å; L9-L13 PolarHBondContact O-N 2.97Å; N10-L13 PolarHBondContact O-N 3.48Å; L13-L16 HydrophobicContact CD2-CD1 4.43Å; L13-L16 WeakPolarHBondContact O-CB 3.48Å; L13-L16 PolarHBondContact O-N 2.85Å; L13-R17 WeakPolarHBondContact O-CB 3.22Å; L13-R17 PolarHBondContact O-N 2.82Å
14	L	41.8	Very low	39.3	Very low	105 Å²	105	81.1 Å²	81.1	55%	0.55	44%	0.437	S	S	.	.	H	α-helix	trans	-67.4	-40	172.3	-82.1	162.4	0	0	0	111.5	N10 V11 L12 R17 A18	N10-L14 VanDerWaalsContact O-CB 3.23Å; N10-L14 WeakPolarHBondContact O-CB 3.14Å; N10-L14 WeakPolarHBondContact O-CD1 3.47Å; N10-L14 VanDerWaalsContact O-CG 3.25Å; N10-L14 WeakPolarHBondContact O-CG 3.2Å; N10-L14 PolarHBondContact O-N 3Å; V11-L14 CarbonylContact O-C 3.59Å; V11-L14 WeakPolarHBondContact O-CB 3.4Å; V11-L14 PolarHBondContact O-N 2.77Å; L12-L14 VanDerWaalsContact C-N 3.3Å; L12-L14 PolarHBondContact O-N 3.27Å; L14-R17 CarbonylContact O-C 3.58Å; L14-R17 PolarHBondContact O-N 3.05Å; L14-A18 VanDerWaalsContact O-CB 3.31Å; L14-A18 WeakPolarHBondContact O-CB 3.44Å; L14-A18 PolarHBondContact O-N 3.19Å
15	L	37.8	Very low	39.3	Very low	44 Å²	44	77.8 Å²	77.8	23%	0.23	43%	0.427	C	S	.	.	H	α-helix	trans	-65.5	-41.3	174.1	-72.8	170.5	0	0	0	111.3	V11 L12 A18 S19 Y30	V11-L15 HydrophobicContact CG1-CD1 4.18Å; V11-L15 HydrophobicContact CG1-CG 4.47Å; V11-L15 WeakPolarHBondContact O-CB 3.23Å; V11-L15 VanDerWaalsContact O-CG 3.22Å; V11-L15 WeakPolarHBondContact O-CG 3.39Å; V11-L15 PolarHBondContact O-N 3.27Å; L12-L15 PolarHBondContact O-N 3.26Å; L15-A18 PolarHBondContact O-N 3.5Å; L15-S19 PolarHBondContact O-N 3.36Å; L15-S19 PolarHBondContact O-OG 3.04Å; L15-Y30 HydrophobicContact CD2-CD2 4.18Å; L15-Y30 HydrophobicContact CD2-CE2 3.68Å
16	L	40.1	Very low	39	Very low	51 Å²	51	82.6 Å²	82.6	27%	0.267	45%	0.448	S	S	.	.	H	α-helix	trans	-58.1	-47.6	170.5	-88.2	155.2	0	0	0	110.6	L12 L13 S19 V20 I35	L12-L16 WeakPolarHBondContact O-CB 3.26Å; L12-L16 PolarHBondContact O-N 2.65Å; L13-L16 HydrophobicContact CD2-CD1 4.43Å; L13-L16 WeakPolarHBondContact O-CB 3.48Å; L13-L16 PolarHBondContact O-N 2.85Å; L16-S19 WeakPolarHBondContact O-CB 3.34Å; L16-S19 PolarHBondContact O-N 2.93Å; L16-V20 VanDerWaalsContact O-CG2 3.3Å; L16-V20 WeakPolarHBondContact O-CG2 3.3Å; L16-I35 HydrophobicContact CD2-CD1 4.37Å; L16-I35 HydrophobicContact CD2-CG2 4.06Å; L16-I35 HydrophobicContact CG-CG2 4.18Å
17	R	38.4	Very low	38.8	Very low	198 Å²	198	87.7 Å²	87.7	75%	0.747	47%	0.471	S	S	*	.	H	α-helix	trans	-62.1	-42.6	174.5	-93.7	-172.8	173.3	-175.7	-1.2	113.4	L13 L14 S19 V20	L13-R17 WeakPolarHBondContact O-CB 3.22Å; L13-R17 PolarHBondContact O-N 2.82Å; L14-R17 CarbonylContact O-C 3.58Å; L14-R17 PolarHBondContact O-N 3.05Å; R17-S19 PolarHBondContact O-N 3.33Å; R17-V20 WeakPolarHBondContact O-CB 3.25Å; R17-V20 PolarHBondContact O-N 2.79Å
18	A	36.3	Very low	39	Very low	64 Å²	64	84.6 Å²	84.6	53%	0.529	46%	0.458	S	S	.	.	H	α-helix	trans	-66.7	-20	179.2	0	0	0	0	0	112.1	L14 L15 V20	L14-A18 VanDerWaalsContact O-CB 3.31Å; L14-A18 WeakPolarHBondContact O-CB 3.44Å; L14-A18 PolarHBondContact O-N 3.19Å; L15-A18 PolarHBondContact O-N 3.5Å; A18-V20 VanDerWaalsContact C-N 3.28Å
19	S	35.7	Very low	39.1	Very low	19 Å²	19	84 Å²	84	13%	0.133	47%	0.467	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-5.8	172.9	-47.9	0	0	0	0	112.9	L15 L16 R17	L15-S19 PolarHBondContact O-N 3.36Å; L15-S19 PolarHBondContact O-OG 3.04Å; L16-S19 WeakPolarHBondContact O-CB 3.34Å; L16-S19 PolarHBondContact O-N 2.93Å; R17-S19 PolarHBondContact O-N 3.33Å
20	V	33.8	Very low	39.3	Very low	57 Å²	57	85.8 Å²	85.8	35%	0.345	47%	0.472	S	S	.	.	S	Bend	trans	-103	94.2	-176.9	-178.2	0	0	0	0	109.1	L16 R17 A18 I123	L16-V20 VanDerWaalsContact O-CG2 3.3Å; L16-V20 WeakPolarHBondContact O-CG2 3.3Å; R17-V20 WeakPolarHBondContact O-CB 3.25Å; R17-V20 PolarHBondContact O-N 2.79Å; A18-V20 VanDerWaalsContact C-N 3.28Å; V20-I123 HydrophobicContact CG1-CG2 4.42Å; V20-I123 HydrophobicContact CG2-CD1 3.9Å; V20-I123 HydrophobicContact CG2-CG2 4.04Å
21	Q	32.3	Very low	39.6	Very low	148 Å²	148	84.2 Å²	84.2	69%	0.692	47%	0.467	S	S	*	.			trans	53.1	98.4	155.8	-68.9	-178.5	-37.8	0	0	117.3
22	V	33.8	Very low	40.1	Very low	100 Å²	100	85.6 Å²	85.6	61%	0.606	47%	0.472	S	S	*	.	B	Isolated β-bridge	trans	-99.7	119.3	148.8	-175.3	0	0	0	0	107.1	G24 A25	V22-G24 PolarHBondContact O-N 2.87Å; V22-A25 PolarHBondContact O-N 3.42Å
23	D	36.7	Very low	40.9	Very low	159 Å²	159	90.5 Å²	90.5	85%	0.85	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	37.5	166.5	-61.6	-24.3	0	0	0	117.9	A25	D23-A25 PolarHBondContact O-N 3.36Å
24	G	35.4	Very low	41.3	Very low	72 Å²	72	90.7 Å²	90.7	74%	0.742	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.7	-1.5	173.3	0	0	0	0	0	114.8	V22	V22-G24 PolarHBondContact O-N 2.87Å
25	A	39.2	Very low	41.7	Very low	49 Å²	49	86.3 Å²	86.3	41%	0.405	48%	0.477	S	S	.	.	B	Isolated β-bridge	trans	-88.6	122.9	165.8	0	0	0	0	0	108.4	V22 D23 Q27	V22-A25 PolarHBondContact O-N 3.42Å; D23-A25 PolarHBondContact O-N 3.36Å; A25-Q27 PolarHBondContact O-N 3.14Å
26	E	36.8	Very low	42.6	Very low	137 Å²	137	86.3 Å²	86.3	64%	0.64	48%	0.475	S	S	*	.			trans	-66.5	76.9	167.8	-74	-174.8	161.1	0	0	109.5	Q28 Y120	E26-Q28 VanDerWaalsContact C-N 3.32Å; E26-Q28 PolarHBondContact O-N 3.35Å; E26-Y120 WeakPolarHBondContact OE1-CE2 3.47Å
27	Q	37.2	Very low	43.4	Very low	159 Å²	159	85.4 Å²	85.4	74%	0.743	48%	0.478	S	S	*	.			trans	-88	80	162.6	-71.9	-162.8	1.4	0	0	108.2	A25 A29	A25-Q27 PolarHBondContact O-N 3.14Å; Q27-A29 PolarHBondContact O-N 2.88Å
28	Q	43	Very low	44.3	Very low	65 Å²	65	81.4 Å²	81.4	30%	0.304	46%	0.463	S	S	.	.			trans	-71.5	108.2	166.5	-75.3	-175.7	9.9	0	0	108.3	E26 Y30 Y120	E26-Q28 VanDerWaalsContact C-N 3.32Å; E26-Q28 PolarHBondContact O-N 3.35Å; Q28-Y30 WeakPolarHBondContact CB-O 3.45Å; Q28-Y30 PolarHBondContact O-N 3.49Å; Q28-Y30 VanDerWaalsContact O-N 3.14Å; Q28-Y120 PolarHBondContact NE2-OH 3.43Å
29	A	45.4	Very low	45.2	Very low	69 Å²	69	78.9 Å²	78.9	57%	0.57	44%	0.441	S	S	*	.	S	Bend	trans	-57	-24.9	170.3	0	0	0	0	0	111.8	Q27	Q27-A29 PolarHBondContact O-N 2.88Å
30	Y	45	Very low	46.4	Very low	76 Å²	76	82.9 Å²	82.9	30%	0.298	46%	0.456	S	S	.	.	S	Bend	trans	-141	137.2	176.8	-67	-73.8	0	0	0	110.2	L15 Q28 D34	L15-Y30 HydrophobicContact CD2-CD2 4.18Å; L15-Y30 HydrophobicContact CD2-CE2 3.68Å; Q28-Y30 WeakPolarHBondContact CB-O 3.45Å; Q28-Y30 PolarHBondContact O-N 3.49Å; Q28-Y30 VanDerWaalsContact O-N 3.14Å; Y30-D34 HydrophobicContact CD1-CB 4.27Å
31	S	53	Low	47.6	Very low	48 Å²	48	84.5 Å²	84.5	34%	0.336	46%	0.461	S	S	.	.			trans	-62.8	152.8	171	73.2	0	0	0	0	110	N33 D34 I35	S31-N33 PolarHBondContact O-N 3.07Å; S31-N33 VanDerWaalsContact O-N 3.11Å; S31-D34 WeakPolarHBondContact CB-OD2 3.4Å; S31-D34 PolarHBondContact N-OD2 2.75Å; S31-D34 VanDerWaalsContact N-OD2 3.1Å; S31-D34 WeakPolarHBondContact O-CA 3.33Å; S31-D34 WeakPolarHBondContact O-CB 3.45Å; S31-D34 PolarHBondContact O-N 3.14Å; S31-D34 PolarHBondContact OG-N 3.41Å; S31-D34 VanDerWaalsContact OG-N 3.14Å; S31-D34 PolarHBondContact OG-OD2 3Å; S31-I35 PolarHBondContact O-N 3.4Å
32	L	53	Low	48.6	Very low	82 Å²	82	78.1 Å²	78.1	43%	0.429	43%	0.432	S	S	.	.	H	α-helix	trans	-53.6	-33.7	173.5	-178.8	64.2	0	0	0	112.1	I35 K36	L32-I35 PolarHBondContact O-N 2.89Å; L32-K36 HydrophobicContact CG-CD 4.43Å; L32-K36 WeakPolarHBondContact O-CB 3.43Å; L32-K36 WeakPolarHBondContact O-CG 3.24Å; L32-K36 PolarHBondContact O-N 3.16Å
33	N	58.3	Low	49.8	Very low	121 Å²	121	74.2 Å²	74.2	65%	0.647	41%	0.406	S	S	*	.	H	α-helix	trans	-66	-39.3	175.9	-73.2	-21.2	0	0	0	112	S31 K36 G37	S31-N33 PolarHBondContact O-N 3.07Å; S31-N33 VanDerWaalsContact O-N 3.11Å; N33-K36 PolarHBondContact O-N 3.39Å; N33-G37 PolarHBondContact O-N 3.11Å
34	D	53.2	Low	51.2	Low	81 Å²	81	70.1 Å²	70.1	43%	0.433	38%	0.384	S	S	.	.	H	α-helix	trans	-64.9	-42.2	174.3	-60.9	-43.5	0	0	0	111.3	Y30 S31 G37 R38	Y30-D34 HydrophobicContact CD1-CB 4.27Å; S31-D34 WeakPolarHBondContact CB-OD2 3.4Å; S31-D34 PolarHBondContact N-OD2 2.75Å; S31-D34 VanDerWaalsContact N-OD2 3.1Å; S31-D34 WeakPolarHBondContact O-CA 3.33Å; S31-D34 WeakPolarHBondContact O-CB 3.45Å; S31-D34 PolarHBondContact O-N 3.14Å; S31-D34 PolarHBondContact OG-N 3.41Å; S31-D34 VanDerWaalsContact OG-N 3.14Å; S31-D34 PolarHBondContact OG-OD2 3Å; D34-G37 PolarHBondContact O-N 3.33Å; D34-R38 WeakPolarHBondContact O-CB 3.41Å; D34-R38 VanDerWaalsContact O-CG 3.3Å; D34-R38 WeakPolarHBondContact O-CG 3.43Å; D34-R38 PolarHBondContact O-N 3.37Å
35	I	51.5	Low	52.3	Low	13 Å²	13	73.8 Å²	73.8	7%	0.067	38%	0.377	C	S	.	.	H	α-helix	trans	-61.6	-48	176.5	-63.1	173.9	0	0	0	110.2	L16 S31 L32 G37 R38 L39	L16-I35 HydrophobicContact CD2-CD1 4.37Å; L16-I35 HydrophobicContact CD2-CG2 4.06Å; L16-I35 HydrophobicContact CG-CG2 4.18Å; S31-I35 PolarHBondContact O-N 3.4Å; L32-I35 PolarHBondContact O-N 2.89Å; I35-G37 VanDerWaalsContact C-N 3.32Å; I35-G37 PolarHBondContact O-N 2.89Å; I35-R38 PolarHBondContact O-N 2.72Å; I35-L39 HydrophobicContact CG2-CD1 4.07Å; I35-L39 HydrophobicContact CG2-CG 4.45Å; I35-L39 WeakPolarHBondContact O-CB 3.2Å; I35-L39 WeakPolarHBondContact O-CG 3.5Å; I35-L39 PolarHBondContact O-N 3.32Å
36	K	56.6	Low	53.1	Low	44 Å²	44	71.6 Å²	71.6	19%	0.191	36%	0.358	C	S	.	.	H	α-helix	trans	-58.7	-43.5	175.5	-77.1	177.1	175.7	178.8	0	111.8	L32 N33 L39 K40 F114	L32-K36 HydrophobicContact CG-CD 4.43Å; L32-K36 WeakPolarHBondContact O-CB 3.43Å; L32-K36 WeakPolarHBondContact O-CG 3.24Å; L32-K36 PolarHBondContact O-N 3.16Å; N33-K36 PolarHBondContact O-N 3.39Å; K36-L39 PolarHBondContact O-N 3.45Å; K36-K40 WeakPolarHBondContact O-CB 3.44Å; K36-K40 PolarHBondContact O-N 2.96Å; K36-F114 PolarHBondContact NZ-O 2.99Å
37	G	57	Low	54.5	Low	32 Å²	32	69.2 Å²	69.2	33%	0.33	35%	0.346	S	S	.	.	H	α-helix	trans	-59.5	-47	176	0	0	0	0	0	112.3	N33 D34 I35 K40 I41	N33-G37 PolarHBondContact O-N 3.11Å; D34-G37 PolarHBondContact O-N 3.33Å; I35-G37 VanDerWaalsContact C-N 3.32Å; I35-G37 PolarHBondContact O-N 2.89Å; G37-K40 WeakPolarHBondContact O-CB 3.44Å; G37-K40 PolarHBondContact O-N 3.32Å; G37-I41 WeakPolarHBondContact O-CG1 3.44Å; G37-I41 PolarHBondContact O-N 3Å
38	R	56.6	Low	55.6	Low	114 Å²	114	67.6 Å²	67.6	43%	0.43	34%	0.336	S	S	.	.	H	α-helix	trans	-64.7	-42.5	177.8	-71.7	171.9	180	-87.5	-1.8	112.8	L12 D34 I35 K40 I41 L42	L12-R38 HydrophobicContact CD2-CB 4.28Å; D34-R38 WeakPolarHBondContact O-CB 3.41Å; D34-R38 VanDerWaalsContact O-CG 3.3Å; D34-R38 WeakPolarHBondContact O-CG 3.43Å; D34-R38 PolarHBondContact O-N 3.37Å; I35-R38 PolarHBondContact O-N 2.72Å; R38-K40 VanDerWaalsContact C-N 3.31Å; R38-K40 PolarHBondContact O-N 3.49Å; R38-I41 PolarHBondContact O-N 2.83Å; R38-L42 PolarHBondContact O-N 2.93Å
39	L	55.1	Low	56.2	Low	12 Å²	12	67.2 Å²	67.2	6%	0.063	34%	0.337	C	S	.	.	H	α-helix	trans	-61	-41.2	174.7	-78.2	174	0	0	0	111.7	L12 I35 K36 L42 R43 I107 V111	L12-L39 HydrophobicContact CD1-CD2 4.19Å; L12-L39 HydrophobicContact CD2-CD2 3.8Å; L12-L39 HydrophobicContact CD2-CG 3.99Å; L12-L39 HydrophobicContact CG-CD2 4.41Å; I35-L39 HydrophobicContact CG2-CD1 4.07Å; I35-L39 HydrophobicContact CG2-CG 4.45Å; I35-L39 WeakPolarHBondContact O-CB 3.2Å; I35-L39 WeakPolarHBondContact O-CG 3.5Å; I35-L39 PolarHBondContact O-N 3.32Å; K36-L39 PolarHBondContact O-N 3.45Å; L39-L42 PolarHBondContact O-N 3.25Å; L39-R43 WeakPolarHBondContact O-CB 3.32Å; L39-R43 PolarHBondContact O-N 3.48Å; L39-I107 HydrophobicContact CB-CG2 4Å; L39-I107 HydrophobicContact CD2-CG1 4.34Å; L39-I107 HydrophobicContact CD2-CG2 4.33Å; L39-V111 HydrophobicContact CB-CG2 3.84Å; L39-V111 HydrophobicContact CD1-CG2 4.39Å
40	K	61.6	Low	56.9	Low	103 Å²	103	65 Å²	65	45%	0.448	31%	0.314	S	S	.	.	H	α-helix	trans	-62.8	-43.8	176.4	-165.7	-178.3	179.5	-175.3	0	111.8	K36 G37 R38 R43 D44	K36-K40 WeakPolarHBondContact O-CB 3.44Å; K36-K40 PolarHBondContact O-N 2.96Å; G37-K40 WeakPolarHBondContact O-CB 3.44Å; G37-K40 PolarHBondContact O-N 3.32Å; R38-K40 VanDerWaalsContact C-N 3.31Å; R38-K40 PolarHBondContact O-N 3.49Å; K40-R43 WeakPolarHBondContact O-CB 3.45Å; K40-R43 PolarHBondContact O-N 2.86Å; K40-D44 PolarHBondContact O-N 3.19Å
41	I	58	Low	57.8	Low	91 Å²	91	66.2 Å²	66.2	47%	0.467	33%	0.326	S	S	.	.	H	α-helix	trans	-61.5	-47	175.5	-68.5	166.1	0	0	0	111	G37 R38 R43 D44 Y45	G37-I41 WeakPolarHBondContact O-CG1 3.44Å; G37-I41 PolarHBondContact O-N 3Å; R38-I41 PolarHBondContact O-N 2.83Å; I41-R43 VanDerWaalsContact C-N 3.32Å; I41-R43 PolarHBondContact O-N 3.45Å; I41-D44 PolarHBondContact O-N 3.2Å; I41-D44 VanDerWaalsContact O-N 3.14Å; I41-Y45 HydrophobicContact CG2-CD2 3.74Å; I41-Y45 HydrophobicContact CG2-CE2 3.29Å; I41-Y45 WeakPolarHBondContact O-CD2 3.38Å; I41-Y45 PolarHBondContact O-N 3.04Å
42	L	54.1	Low	58	Low	13 Å²	13	66.6 Å²	66.6	7%	0.068	32%	0.324	C	S	.	.	H	α-helix	trans	-58.9	-45.1	177.8	178.6	65.8	0	0	0	111.4	L5 H8 L9 L12 R38 L39 D44 Y45 L46 I107	L5-L42 HydrophobicContact CD2-CD1 4.4Å; H8-L42 HydrophobicContact CB-CD1 3.89Å; L9-L42 HydrophobicContact CD1-CD2 4.12Å; L12-L42 HydrophobicContact CD1-CB 4.09Å; L12-L42 HydrophobicContact CD1-CD2 3.42Å; L12-L42 VanDerWaalsContact CD1-CD2 3.42Å; L12-L42 HydrophobicContact CD1-CG 4.29Å; R38-L42 PolarHBondContact O-N 2.93Å; L39-L42 PolarHBondContact O-N 3.25Å; L42-D44 VanDerWaalsContact C-N 3.3Å; L42-D44 PolarHBondContact O-N 3.32Å; L42-Y45 PolarHBondContact O-N 3.12Å; L42-L46 HydrophobicContact CD2-CD1 4.47Å; L42-L46 HydrophobicContact CG-CD1 4Å; L42-L46 WeakPolarHBondContact O-CB 3.4Å; L42-L46 WeakPolarHBondContact O-CG 3.49Å; L42-L46 PolarHBondContact O-N 3.03Å; L42-I107 HydrophobicContact CD2-CD1 3.98Å; L42-I107 HydrophobicContact CG-CD1 4.28Å
43	R	60	Low	58.3	Low	19 Å²	19	63.7 Å²	63.7	7%	0.072	31%	0.308	C	S	.	.	H	α-helix	trans	-57.8	-43.2	175.5	-176.8	-158.8	66.2	-176	0.2	111.9	L39 K40 I41 Y45 L46 K47 T104 I107 N108 Y112	L39-R43 WeakPolarHBondContact O-CB 3.32Å; L39-R43 PolarHBondContact O-N 3.48Å; K40-R43 WeakPolarHBondContact O-CB 3.45Å; K40-R43 PolarHBondContact O-N 2.86Å; I41-R43 VanDerWaalsContact C-N 3.32Å; I41-R43 PolarHBondContact O-N 3.45Å; R43-Y45 VanDerWaalsContact C-N 3.35Å; R43-L46 WeakPolarHBondContact O-CB 3.34Å; R43-L46 PolarHBondContact O-N 3.13Å; R43-K47 WeakPolarHBondContact O-CG 3.48Å; R43-K47 PolarHBondContact O-N 2.86Å; R43-T104 HydrophobicContact CG-CG2 3.98Å; R43-I107 HydrophobicContact CB-CD1 4.46Å; R43-I107 HydrophobicContact CB-CG2 4Å; R43-N108 WeakPolarHBondContact CD-OD1 3.21Å; R43-N108 PolarHBondContact NH1-OD1 3.15Å; R43-Y112 PolarHBondContact NH1-OH 2.95Å
44	D	65.3	Low	58.5	Low	73 Å²	73	62.1 Å²	62.1	39%	0.39	29%	0.294	S	S	.	.	H	α-helix	trans	-68.7	-36	-178.4	-64	-13.7	0	0	0	111	K40 I41 L42 K48	K40-D44 PolarHBondContact O-N 3.19Å; I41-D44 PolarHBondContact O-N 3.2Å; I41-D44 VanDerWaalsContact O-N 3.14Å; L42-D44 VanDerWaalsContact C-N 3.3Å; L42-D44 PolarHBondContact O-N 3.32Å; D44-K48 PolarHBondContact O-N 3.28Å; D44-K48 VanDerWaalsContact O-N 3.15Å
45	Y	57.8	Low	58.9	Low	148 Å²	148	64.6 Å²	64.6	58%	0.58	30%	0.303	S	S	*	.	H	α-helix	trans	-65.6	-46.2	169.9	-70.3	-47.2	0	0	0	113	I41 L42 R43 K47 K48 D49	I41-Y45 HydrophobicContact CG2-CD2 3.74Å; I41-Y45 HydrophobicContact CG2-CE2 3.29Å; I41-Y45 WeakPolarHBondContact O-CD2 3.38Å; I41-Y45 PolarHBondContact O-N 3.04Å; L42-Y45 PolarHBondContact O-N 3.12Å; R43-Y45 VanDerWaalsContact C-N 3.35Å; Y45-K47 VanDerWaalsContact C-N 3.27Å; Y45-K47 PolarHBondContact O-N 2.96Å; Y45-K48 WeakPolarHBondContact O-CB 3.38Å; Y45-K48 PolarHBondContact O-N 3.16Å; Y45-D49 PolarHBondContact O-N 3.27Å
46	L	56.4	Low	59.1	Low	3 Å²	3	69.9 Å²	69.9	2%	0.016	32%	0.323	C	S	.	.	H	α-helix	trans	-53.2	-45.6	175.3	-85.1	161.4	0	0	0	111.6	L5 L42 R43 K48 D49 Q50 F100 V103 I107	L5-L46 HydrophobicContact CD1-CD2 3.75Å; L5-L46 HydrophobicContact CD2-CD2 3.21Å; L5-L46 HydrophobicContact CD2-CG 3.69Å; L5-L46 HydrophobicContact CG-CD2 4Å; L42-L46 HydrophobicContact CD2-CD1 4.47Å; L42-L46 HydrophobicContact CG-CD1 4Å; L42-L46 WeakPolarHBondContact O-CB 3.4Å; L42-L46 WeakPolarHBondContact O-CG 3.49Å; L42-L46 PolarHBondContact O-N 3.03Å; R43-L46 WeakPolarHBondContact O-CB 3.34Å; R43-L46 PolarHBondContact O-N 3.13Å; L46-K48 VanDerWaalsContact C-N 3.35Å; L46-K48 PolarHBondContact O-N 2.97Å; L46-D49 PolarHBondContact O-N 3.37Å; L46-Q50 WeakPolarHBondContact O-CB 3.33Å; L46-Q50 PolarHBondContact O-N 2.05Å; L46-F100 HydrophobicContact CB-CD1 4.14Å; L46-F100 HydrophobicContact CB-CE1 4.49Å; L46-F100 HydrophobicContact CD2-CD1 3.36Å; L46-F100 HydrophobicContact CD2-CE1 3.54Å; L46-F100 HydrophobicContact CG-CD1 4.38Å; L46-F100 WeakPolarHBondContact O-CD1 3.45Å; L46-F100 WeakPolarHBondContact O-CE1 3.48Å; L46-V103 HydrophobicContact CD1-CG1 3.67Å; L46-V103 HydrophobicContact CD2-CG1 4.42Å; L46-I107 HydrophobicContact CD1-CD1 3.58Å
47	K	65.7	Low	59.4	Low	88 Å²	88	69.3 Å²	69.3	38%	0.383	32%	0.321	S	S	.	.	H	α-helix	trans	-64.8	-37.7	177.6	-76.2	-175.8	173.4	-169.1	0	112.9	R43 Y45 Q50 L51	R43-K47 WeakPolarHBondContact O-CG 3.48Å; R43-K47 PolarHBondContact O-N 2.86Å; Y45-K47 VanDerWaalsContact C-N 3.27Å; Y45-K47 PolarHBondContact O-N 2.96Å; K47-Q50 WeakPolarHBondContact O-CB 3.37Å; K47-Q50 PolarHBondContact O-N 2.85Å; K47-L51 WeakPolarHBondContact O-CG 3.41Å; K47-L51 PolarHBondContact O-N 2.91Å
48	K	60.8	Low	59.9	Low	124 Å²	124	70.7 Å²	70.7	54%	0.539	33%	0.329	S	S	.	.	H	α-helix	trans	-65	-50	175.7	-172.8	-174.3	174.1	-172.9	0	110.9	D44 Y45 L46 Q50 L51 D52	D44-K48 PolarHBondContact O-N 3.28Å; D44-K48 VanDerWaalsContact O-N 3.15Å; Y45-K48 WeakPolarHBondContact O-CB 3.38Å; Y45-K48 PolarHBondContact O-N 3.16Å; L46-K48 VanDerWaalsContact C-N 3.35Å; L46-K48 PolarHBondContact O-N 2.97Å; K48-Q50 PolarHBondContact O-N 3.29Å; K48-L51 WeakPolarHBondContact O-CB 3.02Å; K48-L51 PolarHBondContact O-N 3.45Å; K48-L51 VanDerWaalsContact O-N 3.09Å; K48-D52 PolarHBondContact O-N 3.22Å
49	D	56	Low	60.1	Low	58 Å²	58	69.3 Å²	69.3	31%	0.31	33%	0.328	S	S	.	.	H	α-helix	trans	-58.9	-38.9	177.3	-69.4	-6.9	0	0	0	111.3	Y45 L46 D52 I53 F100	Y45-D49 PolarHBondContact O-N 3.27Å; L46-D49 PolarHBondContact O-N 3.37Å; D49-D52 PolarHBondContact O-N 2.7Å; D49-I53 WeakPolarHBondContact O-CD1 3.39Å; D49-I53 VanDerWaalsContact O-CG1 3.26Å; D49-I53 WeakPolarHBondContact O-CG1 3.37Å; D49-I53 PolarHBondContact O-N 3.47Å; D49-F100 HydrophobicContact CB-CE1 3.81Å; D49-F100 HydrophobicContact CB-CZ 3.93Å
50	Q	60.1	Low	60.3	Low	22 Å²	22	70.9 Å²	70.9	10%	0.103	34%	0.336	C	S	.	.	H	α-helix	trans	-59.9	-49.6	174.7	-161.3	-164	12.4	0	0	111.2	L46 K47 K48 I53 Y54 F100 D101	L46-Q50 WeakPolarHBondContact O-CB 3.33Å; L46-Q50 PolarHBondContact O-N 2.05Å; K47-Q50 WeakPolarHBondContact O-CB 3.37Å; K47-Q50 PolarHBondContact O-N 2.85Å; K48-Q50 PolarHBondContact O-N 3.29Å; Q50-I53 WeakPolarHBondContact O-CB 3.32Å; Q50-I53 PolarHBondContact O-N 2.87Å; Q50-Y54 HydrophobicContact CG-CD2 4.22Å; Q50-Y54 HydrophobicContact CG-CE2 3.66Å; Q50-Y54 WeakPolarHBondContact O-CD2 3.04Å; Q50-Y54 PolarHBondContact O-N 3.08Å; Q50-F100 HydrophobicContact CB-CB 4.26Å; Q50-F100 HydrophobicContact CB-CD1 4.22Å; Q50-F100 HydrophobicContact CB-CD2 4.45Å; Q50-F100 HydrophobicContact CB-CG 4.09Å; Q50-F100 HydrophobicContact CG-CB 3.87Å; Q50-F100 HydrophobicContact CG-CD2 4.31Å; Q50-F100 HydrophobicContact CG-CG 4.08Å; Q50-D101 PolarHBondContact NE2-OD1 3.3Å
51	L	62.8	Low	60.6	Low	102 Å²	102	68 Å²	68	53%	0.534	33%	0.327	S	S	.	.	H	α-helix	trans	-58.9	-46.1	176.6	-74.8	168	0	0	0	112	K47 K48 I53 Y54 E55	K47-L51 WeakPolarHBondContact O-CG 3.41Å; K47-L51 PolarHBondContact O-N 2.91Å; K48-L51 WeakPolarHBondContact O-CB 3.02Å; K48-L51 PolarHBondContact O-N 3.45Å; K48-L51 VanDerWaalsContact O-N 3.09Å; L51-I53 VanDerWaalsContact C-N 3.26Å; L51-I53 PolarHBondContact O-N 3.36Å; L51-Y54 WeakPolarHBondContact O-CA 3.26Å; L51-Y54 VanDerWaalsContact O-CB 3.32Å; L51-Y54 WeakPolarHBondContact O-CB 3.28Å; L51-Y54 PolarHBondContact O-N 3.33Å; L51-E55 PolarHBondContact O-N 3.13Å
52	D	58.9	Low	61	Low	55 Å²	55	69.8 Å²	69.8	29%	0.294	33%	0.331	S	S	.	.	H	α-helix	trans	-58.1	-42	177.4	-67.9	-7.1	0	0	0	110.3	K48 D49 Y54 E55 Y56	K48-D52 PolarHBondContact O-N 3.22Å; D49-D52 PolarHBondContact O-N 2.7Å; D52-Y54 PolarHBondContact O-N 2.9Å; D52-E55 PolarHBondContact O-N 3.38Å; D52-Y56 HydrophobicContact CB-CD2 4.47Å; D52-Y56 HydrophobicContact CB-CE2 4.16Å; D52-Y56 WeakPolarHBondContact O-CD2 3.38Å; D52-Y56 PolarHBondContact O-N 3.35Å
53	I	57.4	Low	61.3	Low	22 Å²	22	72.8 Å²	72.8	11%	0.113	35%	0.345	C	S	.	.	H	α-helix	trans	-61.6	-40.2	174.1	-68.2	163.7	0	0	0	112	M1 D49 Q50 L51 Y56 E57 V93 L96 F100	M1-I53 HydrophobicContact CE-CD1 3.97Å; M1-I53 HydrophobicContact CE-CG1 4.47Å; D49-I53 WeakPolarHBondContact O-CD1 3.39Å; D49-I53 VanDerWaalsContact O-CG1 3.26Å; D49-I53 WeakPolarHBondContact O-CG1 3.37Å; D49-I53 PolarHBondContact O-N 3.47Å; Q50-I53 WeakPolarHBondContact O-CB 3.32Å; Q50-I53 PolarHBondContact O-N 2.87Å; L51-I53 VanDerWaalsContact C-N 3.26Å; L51-I53 PolarHBondContact O-N 3.36Å; I53-Y56 PolarHBondContact O-N 3.36Å; I53-E57 PolarHBondContact O-N 2.83Å; I53-V93 HydrophobicContact CG2-CG1 4.13Å; I53-V93 HydrophobicContact CG2-CG2 4.18Å; I53-L96 HydrophobicContact CD1-CD1 4.24Å; I53-F100 HydrophobicContact CD1-CD2 4.28Å; I53-F100 HydrophobicContact CD1-CE2 3.4Å; I53-F100 HydrophobicContact CD1-CZ 3.9Å
54	Y	62.7	Low	61.5	Low	87 Å²	87	72.1 Å²	72.1	34%	0.341	34%	0.343	S	S	.	.	H	α-helix	trans	-59.9	-46.8	174.7	-78.5	-88.6	0	0	0	111.3	Q50 L51 D52 E57 A58 R97	Q50-Y54 HydrophobicContact CG-CD2 4.22Å; Q50-Y54 HydrophobicContact CG-CE2 3.66Å; Q50-Y54 WeakPolarHBondContact O-CD2 3.04Å; Q50-Y54 PolarHBondContact O-N 3.08Å; L51-Y54 WeakPolarHBondContact O-CA 3.26Å; L51-Y54 VanDerWaalsContact O-CB 3.32Å; L51-Y54 WeakPolarHBondContact O-CB 3.28Å; L51-Y54 PolarHBondContact O-N 3.33Å; D52-Y54 PolarHBondContact O-N 2.9Å; Y54-E57 PolarHBondContact O-N 3.44Å; Y54-A58 PolarHBondContact O-N 3.24Å; Y54-A58 VanDerWaalsContact O-N 3.14Å; Y54-R97 HydrophobicContact CE1-CG 4.32Å; Y54-R97 HydrophobicContact CE2-CG 4.13Å; Y54-R97 VanDerWaalsContact CZ-CD 3.48Å; Y54-R97 VanDerWaalsContact OH-CD 3.3Å; Y54-R97 WeakPolarHBondContact OH-CD 3.13Å; Y54-R97 WeakPolarHBondContact OH-CG 3.13Å; Y54-R97 PolarHBondContact OH-NE 2.7Å
55	E	61.5	Low	61.7	Low	133 Å²	133	72 Å²	72	62%	0.621	34%	0.342	S	S	*	.	H	α-helix	trans	-63.8	-41.8	-179.9	-68.7	-176.8	177.7	0	0	111.6	L51 D52 A58 E59	L51-E55 PolarHBondContact O-N 3.13Å; D52-E55 PolarHBondContact O-N 3.38Å; E55-A58 PolarHBondContact O-N 3.01Å; E55-E59 WeakPolarHBondContact O-CB 3.43Å; E55-E59 PolarHBondContact O-N 2.9Å
56	Y	57.7	Low	61.9	Low	125 Å²	125	68 Å²	68	49%	0.49	33%	0.333	S	S	.	.	H	α-helix	trans	-67.7	-37	176.5	-70.5	-56.5	0	0	0	113.3	D52 I53 A58 E59 I60	D52-Y56 HydrophobicContact CB-CD2 4.47Å; D52-Y56 HydrophobicContact CB-CE2 4.16Å; D52-Y56 WeakPolarHBondContact O-CD2 3.38Å; D52-Y56 PolarHBondContact O-N 3.35Å; I53-Y56 PolarHBondContact O-N 3.36Å; Y56-A58 VanDerWaalsContact C-N 3.33Å; Y56-E59 PolarHBondContact O-N 3.35Å; Y56-I60 WeakPolarHBondContact O-CB 3.33Å; Y56-I60 VanDerWaalsContact O-CG1 3.24Å; Y56-I60 WeakPolarHBondContact O-CG1 3.33Å; Y56-I60 PolarHBondContact O-N 3.03Å
57	E	62.6	Low	61.9	Low	32 Å²	32	70.6 Å²	70.6	15%	0.15	35%	0.346	C	S	.	.	H	α-helix	trans	-58.4	-48.9	172.9	-172.3	178	-146	0	0	111	I53 Y54 E59 I60 T61 V88 V93 R97	I53-E57 PolarHBondContact O-N 2.83Å; Y54-E57 PolarHBondContact O-N 3.44Å; E57-E59 VanDerWaalsContact C-N 3.32Å; E57-E59 PolarHBondContact O-N 3.41Å; E57-I60 PolarHBondContact O-N 2.91Å; E57-T61 WeakPolarHBondContact O-CB 3.35Å; E57-T61 PolarHBondContact O-N 2.93Å; E57-T61 PolarHBondContact O-OG1 3.13Å; E57-V88 HydrophobicContact CG-CG1 3.66Å; E57-V93 HydrophobicContact CB-CB 4.43Å; E57-V93 HydrophobicContact CB-CG1 4.18Å; E57-V93 HydrophobicContact CB-CG2 3.57Å; E57-V93 VanDerWaalsContact CD-CG1 3.48Å; E57-V93 HydrophobicContact CG-CB 4.25Å; E57-V93 HydrophobicContact CG-CG1 4.28Å; E57-V93 HydrophobicContact CG-CG2 3.61Å; E57-V93 WeakPolarHBondContact OE2-CG1 3.32Å; E57-R97 IonicContact OE2-CZ 2.59Å; E57-R97 IonicContact OE2-NH1 3.33Å; E57-R97 PolarHBondContact OE2-NH1 3.18Å; E57-R97 IonicContact OE2-NH2 3.05Å; E57-R97 PolarHBondContact OE2-NH2 3.44Å
58	A	67.3	Low	61.8	Low	61 Å²	61	67.6 Å²	67.6	50%	0.504	34%	0.337	S	S	.	.	H	α-helix	trans	-61.3	-44.3	-178.3	0	0	0	0	0	110.8	Y54 E55 Y56 T61 K62	Y54-A58 PolarHBondContact O-N 3.24Å; Y54-A58 VanDerWaalsContact O-N 3.14Å; E55-A58 PolarHBondContact O-N 3.01Å; Y56-A58 VanDerWaalsContact C-N 3.33Å; A58-T61 PolarHBondContact O-N 2.93Å; A58-K62 WeakPolarHBondContact O-CB 3.5Å; A58-K62 PolarHBondContact O-N 3.41Å
59	E	60.3	Low	62	Low	84 Å²	84	68.4 Å²	68.4	39%	0.393	34%	0.343	S	S	.	.	H	α-helix	trans	-66.4	-42.6	178.6	-178.5	52.6	-147.4	0	0	112.4	E55 Y56 E57 T61 K62 Q63	E55-E59 WeakPolarHBondContact O-CB 3.43Å; E55-E59 PolarHBondContact O-N 2.9Å; Y56-E59 PolarHBondContact O-N 3.35Å; E57-E59 VanDerWaalsContact C-N 3.32Å; E57-E59 PolarHBondContact O-N 3.41Å; E59-T61 VanDerWaalsContact C-N 3.34Å; E59-T61 PolarHBondContact O-N 3.03Å; E59-K62 PolarHBondContact O-N 2.83Å; E59-Q63 WeakPolarHBondContact O-CG 3.44Å; E59-Q63 PolarHBondContact O-N 3.32Å; E59-Q63 PolarHBondContact OE1-NE2 3.01Å
60	I	59.7	Low	62.1	Low	46 Å²	46	72.8 Å²	72.8	24%	0.236	36%	0.362	C	S	.	.	H	α-helix	trans	-64.2	-42.5	175.7	-67.7	168.5	0	0	0	110.7	Y56 E57 Q63 I64 V88	Y56-I60 WeakPolarHBondContact O-CB 3.33Å; Y56-I60 VanDerWaalsContact O-CG1 3.24Å; Y56-I60 WeakPolarHBondContact O-CG1 3.33Å; Y56-I60 PolarHBondContact O-N 3.03Å; E57-I60 PolarHBondContact O-N 2.91Å; I60-Q63 WeakPolarHBondContact O-CB 3.33Å; I60-Q63 PolarHBondContact O-N 3.4Å; I60-I64 HydrophobicContact CG2-CD1 3.95Å; I60-I64 WeakPolarHBondContact O-CG1 3.4Å; I60-I64 PolarHBondContact O-N 3.32Å; I60-V88 HydrophobicContact CG2-CG2 3.49Å; I60-V88 VanDerWaalsContact CG2-CG2 3.49Å
61	T	66.7	Low	62	Low	42 Å²	42	75.2 Å²	75.2	26%	0.258	38%	0.375	S	S	.	.	H	α-helix	trans	-60.8	-46.7	177.9	-57	0	0	0	0	110.5	E57 A58 E59 Q63 I64 D65	E57-T61 WeakPolarHBondContact O-CB 3.35Å; E57-T61 PolarHBondContact O-N 2.93Å; E57-T61 PolarHBondContact O-OG1 3.13Å; A58-T61 PolarHBondContact O-N 2.93Å; E59-T61 VanDerWaalsContact C-N 3.34Å; E59-T61 PolarHBondContact O-N 3.03Å; T61-Q63 VanDerWaalsContact C-N 3.3Å; T61-Q63 PolarHBondContact O-N 3.04Å; T61-I64 WeakPolarHBondContact O-CA 3.49Å; T61-I64 WeakPolarHBondContact O-CB 3.36Å; T61-I64 PolarHBondContact O-N 3.48Å; T61-D65 PolarHBondContact O-N 2.9Å
62	K	66.7	Low	61.9	Low	128 Å²	128	74.9 Å²	74.9	56%	0.557	38%	0.381	S	S	*	.	H	α-helix	trans	-56.8	-41.9	175.2	-177.3	-175.7	175.3	-169.9	0	112.4	A58 E59 I64 D65 V66	A58-K62 WeakPolarHBondContact O-CB 3.5Å; A58-K62 PolarHBondContact O-N 3.41Å; E59-K62 PolarHBondContact O-N 2.83Å; K62-I64 VanDerWaalsContact C-N 3.34Å; K62-D65 PolarHBondContact O-N 3.32Å; K62-V66 WeakPolarHBondContact O-CG2 3.44Å; K62-V66 PolarHBondContact O-N 2.84Å
63	Q	61.6	Low	62	Low	76 Å²	76	78 Å²	78	36%	0.355	41%	0.407	S	S	.	.	H	α-helix	trans	-64.7	-38.1	175.7	-70.6	170	20.3	0	0	112.2	E59 I60 T61 V66 I67	E59-Q63 WeakPolarHBondContact O-CG 3.44Å; E59-Q63 PolarHBondContact O-N 3.32Å; E59-Q63 PolarHBondContact OE1-NE2 3.01Å; I60-Q63 WeakPolarHBondContact O-CB 3.33Å; I60-Q63 PolarHBondContact O-N 3.4Å; T61-Q63 VanDerWaalsContact C-N 3.3Å; T61-Q63 PolarHBondContact O-N 3.04Å; Q63-V66 PolarHBondContact O-N 3.49Å; Q63-I67 VanDerWaalsContact O-CG1 3.32Å; Q63-I67 WeakPolarHBondContact O-CG1 3.38Å; Q63-I67 PolarHBondContact O-N 3.1Å; Q63-I67 VanDerWaalsContact O-N 3.12Å
64	I	63.3	Low	61.9	Low	6 Å²	6	79.6 Å²	79.6	3%	0.031	42%	0.416	C	S	.	.	H	α-helix	trans	-65.6	-41	175.3	-64	162.3	0	0	0	110.5	I60 T61 K62 V66 I67 A68 V81 L84 H85 V88	I60-I64 HydrophobicContact CG2-CD1 3.95Å; I60-I64 WeakPolarHBondContact O-CG1 3.4Å; I60-I64 PolarHBondContact O-N 3.32Å; T61-I64 WeakPolarHBondContact O-CA 3.49Å; T61-I64 WeakPolarHBondContact O-CB 3.36Å; T61-I64 PolarHBondContact O-N 3.48Å; K62-I64 VanDerWaalsContact C-N 3.34Å; I64-V66 PolarHBondContact O-N 3.42Å; I64-I67 WeakPolarHBondContact O-CB 3.27Å; I64-I67 PolarHBondContact O-N 3.2Å; I64-A68 WeakPolarHBondContact O-CB 3.38Å; I64-A68 PolarHBondContact O-N 3.34Å; I64-V81 HydrophobicContact CG2-CG1 3.93Å; I64-L84 HydrophobicContact CD1-CB 3.75Å; I64-L84 HydrophobicContact CG1-CB 3.98Å; I64-L84 HydrophobicContact CG1-CD1 4.15Å; I64-L84 HydrophobicContact CG2-CB 3.88Å; I64-L84 HydrophobicContact CG2-CD1 4.25Å; I64-H85 WeakPolarHBondContact CG2-CD2 3.13Å; I64-H85 VanDerWaalsContact CG2-NE2 3.28Å; I64-H85 WeakPolarHBondContact CG2-NE2 3.47Å; I64-V88 HydrophobicContact CD1-CG2 3.52Å
65	D	69.8	Low	61.6	Low	69 Å²	69	83.4 Å²	83.4	37%	0.369	44%	0.437	S	S	.	.	H	α-helix	trans	-62.7	-40.2	176.9	-73.8	-34.1	0	0	0	112.2	T61 K62 A68 Q69 H85	T61-D65 PolarHBondContact O-N 2.9Å; K62-D65 PolarHBondContact O-N 3.32Å; D65-A68 WeakPolarHBondContact O-CB 3.36Å; D65-A68 PolarHBondContact O-N 3.1Å; D65-Q69 WeakPolarHBondContact O-CG 3.33Å; D65-Q69 PolarHBondContact O-N 3.48Å; D65-H85 IonicContact OD1-CE1 2.72Å; D65-H85 PolarHBondContact OD1-CE1 3.1Å; D65-H85 IonicContact OD1-NE2 2.71Å; D65-H85 PolarHBondContact OD1-NE2 3.08Å
66	V	61.7	Low	61.2	Low	64 Å²	64	80 Å²	80	39%	0.388	43%	0.426	S	S	.	.	H	α-helix	trans	-60.5	-47.7	173.7	171.6	0	0	0	0	110.6	K62 Q63 I64 A68 Q69 E70	K62-V66 WeakPolarHBondContact O-CG2 3.44Å; K62-V66 PolarHBondContact O-N 2.84Å; Q63-V66 PolarHBondContact O-N 3.49Å; I64-V66 PolarHBondContact O-N 3.42Å; V66-A68 PolarHBondContact O-N 3.22Å; V66-Q69 PolarHBondContact O-N 3.37Å; V66-E70 HydrophobicContact CG1-CG 4.5Å; V66-E70 WeakPolarHBondContact O-CG 3.34Å; V66-E70 PolarHBondContact O-N 2.92Å
67	I	57.5	Low	61	Low	59 Å²	59	75.1 Å²	75.1	30%	0.303	41%	0.409	S	S	.	.	H	α-helix	trans	-57.6	-41.2	175.5	-68.4	166.4	0	0	0	110.5	Q63 I64 E70 L71	Q63-I67 VanDerWaalsContact O-CG1 3.32Å; Q63-I67 WeakPolarHBondContact O-CG1 3.38Å; Q63-I67 PolarHBondContact O-N 3.1Å; Q63-I67 VanDerWaalsContact O-N 3.12Å; I64-I67 WeakPolarHBondContact O-CB 3.27Å; I64-I67 PolarHBondContact O-N 3.2Å; I67-E70 PolarHBondContact O-N 3.07Å; I67-L71 HydrophobicContact CG2-CD1 3.54Å; I67-L71 HydrophobicContact CG2-CG 4.33Å; I67-L71 VanDerWaalsContact O-CB 3.25Å; I67-L71 WeakPolarHBondContact O-CB 3.34Å; I67-L71 WeakPolarHBondContact O-CG 3.46Å; I67-L71 PolarHBondContact O-N 3.48Å; I67-L71 VanDerWaalsContact O-N 3.07Å
68	A	62.9	Low	60.8	Low	24 Å²	24	76.8 Å²	76.8	20%	0.198	42%	0.421	C	S	.	.	H	α-helix	trans	-63.8	-41.6	178.8	0	0	0	0	0	112.9	I64 D65 V66 S72 V81	I64-A68 WeakPolarHBondContact O-CB 3.38Å; I64-A68 PolarHBondContact O-N 3.34Å; D65-A68 WeakPolarHBondContact O-CB 3.36Å; D65-A68 PolarHBondContact O-N 3.1Å; V66-A68 PolarHBondContact O-N 3.22Å; A68-S72 WeakPolarHBondContact O-CA 3.24Å; A68-S72 WeakPolarHBondContact O-CB 3.44Å; A68-S72 PolarHBondContact O-N 3.36Å; A68-S72 VanDerWaalsContact O-N 3.14Å; A68-V81 HydrophobicContact CB-CB 4.16Å; A68-V81 HydrophobicContact CB-CG1 3.54Å; A68-V81 HydrophobicContact CB-CG2 3.57Å
69	Q	63.9	Low	60.2	Low	142 Å²	142	78.3 Å²	78.3	66%	0.664	42%	0.418	S	S	*	.	H	α-helix	trans	-65.5	-46.9	177.5	-72.3	174.9	5.5	0	0	111.4	D65 V66 L71 S72	D65-Q69 WeakPolarHBondContact O-CG 3.33Å; D65-Q69 PolarHBondContact O-N 3.48Å; V66-Q69 PolarHBondContact O-N 3.37Å; Q69-L71 PolarHBondContact O-N 3.14Å; Q69-S72 WeakPolarHBondContact O-CB 3.34Å; Q69-S72 PolarHBondContact O-N 3.46Å; Q69-S72 PolarHBondContact O-OG 2.75Å
70	E	59	Low	59.7	Low	150 Å²	150	75.6 Å²	75.6	70%	0.701	40%	0.404	S	S	*	.	H	α-helix	trans	-63.3	-32.2	180	-71.9	-178.7	175.4	0	0	112.5	V66 I67	V66-E70 HydrophobicContact CG1-CG 4.5Å; V66-E70 WeakPolarHBondContact O-CG 3.34Å; V66-E70 PolarHBondContact O-N 2.92Å; I67-E70 PolarHBondContact O-N 3.07Å
71	L	58.5	Low	59.5	Low	73 Å²	73	74 Å²	74	38%	0.382	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	9.5	-174.4	-61.7	179.6	0	0	0	113.8	I67 Q69 S73 V77	I67-L71 HydrophobicContact CG2-CD1 3.54Å; I67-L71 HydrophobicContact CG2-CG 4.33Å; I67-L71 VanDerWaalsContact O-CB 3.25Å; I67-L71 WeakPolarHBondContact O-CB 3.34Å; I67-L71 WeakPolarHBondContact O-CG 3.46Å; I67-L71 PolarHBondContact O-N 3.48Å; I67-L71 VanDerWaalsContact O-N 3.07Å; Q69-L71 PolarHBondContact O-N 3.14Å; L71-S73 PolarHBondContact O-N 2.88Å; L71-V77 HydrophobicContact CB-CB 4.04Å; L71-V77 HydrophobicContact CB-CG1 3.13Å; L71-V77 HydrophobicContact CB-CG2 3.83Å; L71-V77 HydrophobicContact CD1-CG1 3.85Å; L71-V77 HydrophobicContact CD1-CG2 4.31Å; L71-V77 HydrophobicContact CG-CG1 4.15Å; L71-V77 WeakPolarHBondContact O-CG1 3.14Å
72	S	60.1	Low	59.2	Low	94 Å²	94	77.3 Å²	77.3	66%	0.657	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	3.9	-168.3	53.4	0	0	0	0	117.6	A68 Q69	A68-S72 WeakPolarHBondContact O-CA 3.24Å; A68-S72 WeakPolarHBondContact O-CB 3.44Å; A68-S72 PolarHBondContact O-N 3.36Å; A68-S72 VanDerWaalsContact O-N 3.14Å; Q69-S72 WeakPolarHBondContact O-CB 3.34Å; Q69-S72 PolarHBondContact O-N 3.46Å; Q69-S72 PolarHBondContact O-OG 2.75Å
73	S	60.5	Low	58.6	Low	121 Å²	121	71.6 Å²	71.6	85%	0.846	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-1.3	-177.2	57	0	0	0	0	115.3	L71	L71-S73 PolarHBondContact O-N 2.88Å
74	N	56.6	Low	58.4	Low	56 Å²	56	69.5 Å²	69.5	30%	0.299	37%	0.374	S	S	.	.			trans	-135.7	131.1	-174.5	-174.9	-14.9	0	0	0	113.2	T76 V77 T78	N74-T76 PolarHBondContact O-N 2.97Å; N74-T76 WeakPolarHBondContact OD1-CB 2.94Å; N74-T76 PolarHBondContact OD1-N 3.44Å; N74-T76 PolarHBondContact OD1-OG1 2.79Å; N74-V77 HydrophobicContact CB-CB 4.49Å; N74-V77 HydrophobicContact CB-CG2 3.94Å; N74-V77 VanDerWaalsContact O-CB 3.3Å; N74-V77 WeakPolarHBondContact O-CB 3.44Å; N74-V77 PolarHBondContact O-N 2.72Å; N74-T78 PolarHBondContact O-N 3.48Å
75	E	56.5	Low	58.4	Low	167 Å²	167	71.3 Å²	71.3	78%	0.78	38%	0.383	S	S	*	.	H	α-helix	trans	-55.5	-38.5	176.9	-172.2	174.8	-167.4	0	0	112.6	V77 T78 E79	E75-V77 PolarHBondContact O-N 3.36Å; E75-T78 WeakPolarHBondContact O-CB 3.21Å; E75-T78 PolarHBondContact O-N 3.38Å; E75-E79 PolarHBondContact O-N 3.49Å
76	T	52.7	Low	57.9	Low	62 Å²	62	70 Å²	70	38%	0.38	38%	0.379	S	S	.	.	H	α-helix	trans	-61.4	-33.8	178.2	-26.1	0	0	0	0	112.2	N74 Y80 P156	N74-T76 PolarHBondContact O-N 2.97Å; N74-T76 WeakPolarHBondContact OD1-CB 2.94Å; N74-T76 PolarHBondContact OD1-N 3.44Å; N74-T76 PolarHBondContact OD1-OG1 2.79Å; T76-Y80 PolarHBondContact O-N 2.99Å; T76-P156 HydrophobicContact CG2-CB 3.54Å; T76-P156 HydrophobicContact CG2-CG 3.96Å
77	V	53.1	Low	57.5	Low	22 Å²	22	69.1 Å²	69.1	13%	0.133	37%	0.372	C	S	.	.	H	α-helix	trans	-69.6	-39.4	176.4	168.9	0	0	0	0	110.3	L71 N74 E75 E79 Y80 V81	L71-V77 HydrophobicContact CB-CB 4.04Å; L71-V77 HydrophobicContact CB-CG1 3.13Å; L71-V77 HydrophobicContact CB-CG2 3.83Å; L71-V77 HydrophobicContact CD1-CG1 3.85Å; L71-V77 HydrophobicContact CD1-CG2 4.31Å; L71-V77 HydrophobicContact CG-CG1 4.15Å; L71-V77 WeakPolarHBondContact O-CG1 3.14Å; N74-V77 HydrophobicContact CB-CB 4.49Å; N74-V77 HydrophobicContact CB-CG2 3.94Å; N74-V77 VanDerWaalsContact O-CB 3.3Å; N74-V77 WeakPolarHBondContact O-CB 3.44Å; N74-V77 PolarHBondContact O-N 2.72Å; E75-V77 PolarHBondContact O-N 3.36Å; V77-E79 VanDerWaalsContact C-N 3.28Å; V77-E79 PolarHBondContact O-N 2.59Å; V77-Y80 WeakPolarHBondContact O-CB 3.01Å; V77-Y80 PolarHBondContact O-N 3.27Å; V77-Y80 VanDerWaalsContact O-N 3.11Å; V77-V81 HydrophobicContact CG1-CG2 4.11Å; V77-V81 WeakPolarHBondContact O-CG2 3.26Å; V77-V81 PolarHBondContact O-N 2.98Å
78	T	57.7	Low	57.4	Low	67 Å²	67	66.9 Å²	66.9	41%	0.411	36%	0.361	S	S	.	.	H	α-helix	trans	-61.1	-40.9	-179.1	-61.1	0	0	0	0	110.6	N74 E75 K82	N74-T78 PolarHBondContact O-N 3.48Å; E75-T78 WeakPolarHBondContact O-CB 3.21Å; E75-T78 PolarHBondContact O-N 3.38Å; T78-K82 HydrophobicContact CG2-CD 4.4Å; T78-K82 WeakPolarHBondContact O-CB 3.49Å; T78-K82 VanDerWaalsContact O-CG 3.24Å; T78-K82 WeakPolarHBondContact O-CG 3Å; T78-K82 PolarHBondContact O-N 2.92Å
79	E	55.4	Low	57.1	Low	93 Å²	93	72.5 Å²	72.5	44%	0.435	38%	0.381	S	S	.	.	H	α-helix	trans	-66.7	-39.1	173.3	-72.7	-55.9	130.8	0	0	113	E75 V77 K82 C83	E75-E79 PolarHBondContact O-N 3.49Å; V77-E79 VanDerWaalsContact C-N 3.28Å; V77-E79 PolarHBondContact O-N 2.59Å; E79-K82 PolarHBondContact O-N 2.8Å; E79-K82 WeakPolarHBondContact OE1-CD 3.41Å; E79-K82 IonicContact OE1-NZ 3.45Å; E79-K82 PolarHBondContact OE1-NZ 2.97Å; E79-C83 WeakPolarHBondContact O-CB 2.98Å; E79-C83 PolarHBondContact O-N 2.97Å
80	Y	50.3	Low	56.5	Low	27 Å²	27	71.8 Å²	71.8	11%	0.106	38%	0.377	C	S	.	.	H	α-helix	trans	-59.7	-48.2	174.1	-179.8	-110.2	0	0	0	112.5	T76 V77 C83 L84 L155 P156 L167	T76-Y80 PolarHBondContact O-N 2.99Å; V77-Y80 WeakPolarHBondContact O-CB 3.01Å; V77-Y80 PolarHBondContact O-N 3.27Å; V77-Y80 VanDerWaalsContact O-N 3.11Å; Y80-C83 WeakPolarHBondContact O-CB 3.08Å; Y80-C83 PolarHBondContact O-N 2.98Å; Y80-C83 VanDerWaalsContact O-N 3.16Å; Y80-L84 HydrophobicContact CD1-CD1 3.97Å; Y80-L84 HydrophobicContact CD1-CG 4.43Å; Y80-L84 HydrophobicContact CE1-CD1 3.34Å; Y80-L84 HydrophobicContact CE1-CG 4.02Å; Y80-L84 HydrophobicContact CE2-CD1 4.43Å; Y80-L84 HydrophobicContact CE2-CD2 4.4Å; Y80-L84 HydrophobicContact CE2-CG 4.29Å; Y80-L84 PolarHBondContact O-N 2.72Å; Y80-L155 HydrophobicContact CD2-CD2 3.74Å; Y80-L155 HydrophobicContact CE2-CD2 3.56Å; Y80-P156 HydrophobicContact CD2-CG 4.16Å; Y80-P156 HydrophobicContact CG-CG 4.18Å; Y80-L167 HydrophobicContact CE1-CD2 4.28Å; Y80-L167 HydrophobicContact CE2-CD2 3.64Å; Y80-L167 VanDerWaalsContact CZ-CD2 3.45Å; Y80-L167 WeakPolarHBondContact OH-CD2 3.32Å
81	V	55.3	Low	56	Low	13 Å²	13	68.1 Å²	68.1	8%	0.079	36%	0.359	C	S	.	.	H	α-helix	trans	-62	-45.7	178	168.6	0	0	0	0	110.7	I64 A68 V77 C83 L84 H85	I64-V81 HydrophobicContact CG2-CG1 3.93Å; A68-V81 HydrophobicContact CB-CB 4.16Å; A68-V81 HydrophobicContact CB-CG1 3.54Å; A68-V81 HydrophobicContact CB-CG2 3.57Å; V77-V81 HydrophobicContact CG1-CG2 4.11Å; V77-V81 WeakPolarHBondContact O-CG2 3.26Å; V77-V81 PolarHBondContact O-N 2.98Å; V81-C83 PolarHBondContact O-N 3.5Å; V81-L84 PolarHBondContact O-N 3.42Å; V81-H85 PolarHBondContact O-N 2.88Å
82	K	60.7	Low	55.5	Low	111 Å²	111	67.5 Å²	67.5	48%	0.483	36%	0.359	S	S	.	.	H	α-helix	trans	-57.1	-41.5	174.3	-76.4	171.6	-175.9	169.8	0	111.2	T78 E79 H85 S86	T78-K82 HydrophobicContact CG2-CD 4.4Å; T78-K82 WeakPolarHBondContact O-CB 3.49Å; T78-K82 VanDerWaalsContact O-CG 3.24Å; T78-K82 WeakPolarHBondContact O-CG 3Å; T78-K82 PolarHBondContact O-N 2.92Å; E79-K82 PolarHBondContact O-N 2.8Å; E79-K82 WeakPolarHBondContact OE1-CD 3.41Å; E79-K82 IonicContact OE1-NZ 3.45Å; E79-K82 PolarHBondContact OE1-NZ 2.97Å; K82-H85 PolarHBondContact O-N 3.45Å; K82-S86 WeakPolarHBondContact O-CB 3.45Å; K82-S86 PolarHBondContact O-N 3.24Å
83	C	53.1	Low	55.1	Low	7 Å²	7	63.2 Å²	63.2	5%	0.047	33%	0.328	C	S	.	.	H	α-helix	trans	-64.3	-48.2	176.9	-175.8	0	0	0	0	111.4	E79 Y80 V81 H85 S86 L87 C153	E79-C83 WeakPolarHBondContact O-CB 2.98Å; E79-C83 PolarHBondContact O-N 2.97Å; Y80-C83 WeakPolarHBondContact O-CB 3.08Å; Y80-C83 PolarHBondContact O-N 2.98Å; Y80-C83 VanDerWaalsContact O-N 3.16Å; V81-C83 PolarHBondContact O-N 3.5Å; C83-H85 VanDerWaalsContact C-N 3.34Å; C83-H85 PolarHBondContact O-N 2.72Å; C83-S86 WeakPolarHBondContact O-CB 3.3Å; C83-S86 PolarHBondContact O-N 3.49Å; C83-S86 VanDerWaalsContact O-N 3.08Å; C83-L87 WeakPolarHBondContact O-CG 3.08Å; C83-L87 PolarHBondContact O-N 3.11Å; C83-C153 WeakPolarHBondContact CA-SG 3.3Å; C83-C153 HydrophobicContact CB-CB 4.21Å; C83-C153 WeakPolarHBondContact CB-SG 3.49Å; C83-C153 WeakPolarHBondContact SG-CB 3.27Å; C83-C153 CovalentContact SG-SG 2.05Å; C83-C153 PolarHBondContact SG-SG 3.46Å
84	L	56.7	Low	54.7	Low	32 Å²	32	66.7 Å²	66.7	17%	0.168	32%	0.323	C	S	.	.	H	α-helix	trans	-57.5	-44.7	176	-71	-177.8	0	0	0	112.3	I64 Y80 V81 S86 L87 V88	I64-L84 HydrophobicContact CD1-CB 3.75Å; I64-L84 HydrophobicContact CG1-CB 3.98Å; I64-L84 HydrophobicContact CG1-CD1 4.15Å; I64-L84 HydrophobicContact CG2-CB 3.88Å; I64-L84 HydrophobicContact CG2-CD1 4.25Å; Y80-L84 HydrophobicContact CD1-CD1 3.97Å; Y80-L84 HydrophobicContact CD1-CG 4.43Å; Y80-L84 HydrophobicContact CE1-CD1 3.34Å; Y80-L84 HydrophobicContact CE1-CG 4.02Å; Y80-L84 HydrophobicContact CE2-CD1 4.43Å; Y80-L84 HydrophobicContact CE2-CD2 4.4Å; Y80-L84 HydrophobicContact CE2-CG 4.29Å; Y80-L84 PolarHBondContact O-N 2.72Å; V81-L84 PolarHBondContact O-N 3.42Å; L84-S86 VanDerWaalsContact C-N 3.33Å; L84-S86 PolarHBondContact O-N 3.23Å; L84-L87 PolarHBondContact O-N 3.42Å; L84-V88 WeakPolarHBondContact O-CG2 3.3Å; L84-V88 PolarHBondContact O-N 2.83Å
85	H	63.4	Low	54.5	Low	44 Å²	44	66.2 Å²	66.2	20%	0.204	33%	0.332	C	S	.	.	H	α-helix	trans	-61.2	-40.7	174.1	-78.3	164.2	0	0	0	112.8	I64 D65 V81 K82 C83 V88 K89	I64-H85 WeakPolarHBondContact CG2-CD2 3.13Å; I64-H85 VanDerWaalsContact CG2-NE2 3.28Å; I64-H85 WeakPolarHBondContact CG2-NE2 3.47Å; D65-H85 IonicContact OD1-CE1 2.72Å; D65-H85 PolarHBondContact OD1-CE1 3.1Å; D65-H85 IonicContact OD1-NE2 2.71Å; D65-H85 PolarHBondContact OD1-NE2 3.08Å; V81-H85 PolarHBondContact O-N 2.88Å; K82-H85 PolarHBondContact O-N 3.45Å; C83-H85 VanDerWaalsContact C-N 3.34Å; C83-H85 PolarHBondContact O-N 2.72Å; H85-V88 PolarHBondContact O-N 3.05Å; H85-K89 WeakPolarHBondContact O-CG 3.48Å; H85-K89 PolarHBondContact O-N 3.03Å; H85-K89 VanDerWaalsContact O-N 3.1Å
86	S	60.1	Low	54.2	Low	41 Å²	41	60 Å²	60	29%	0.287	30%	0.304	S	S	.	.	H	α-helix	trans	-62.7	-44.8	175.9	-171.3	0	0	0	0	111.3	K82 C83 L84 V88 K89 Q90	K82-S86 WeakPolarHBondContact O-CB 3.45Å; K82-S86 PolarHBondContact O-N 3.24Å; C83-S86 WeakPolarHBondContact O-CB 3.3Å; C83-S86 PolarHBondContact O-N 3.49Å; C83-S86 VanDerWaalsContact O-N 3.08Å; L84-S86 VanDerWaalsContact C-N 3.33Å; L84-S86 PolarHBondContact O-N 3.23Å; S86-V88 PolarHBondContact O-N 3.23Å; S86-K89 PolarHBondContact O-N 3.47Å; S86-Q90 WeakPolarHBondContact O-CB 3.21Å; S86-Q90 WeakPolarHBondContact O-CG 3.26Å; S86-Q90 PolarHBondContact O-N 3.31Å; S86-Q90 PolarHBondContact OG-NE2 3.01Å
87	L	52.8	Low	54.3	Low	46 Å²	46	59.5 Å²	59.5	24%	0.241	30%	0.295	C	S	.	.	H	α-helix	trans	-60.2	-46.7	177.8	-68.1	174.8	0	0	0	111.2	C83 L84 K89 Q90 F91	C83-L87 WeakPolarHBondContact O-CG 3.08Å; C83-L87 PolarHBondContact O-N 3.11Å; L84-L87 PolarHBondContact O-N 3.42Å; L87-K89 PolarHBondContact O-N 2.9Å; L87-Q90 PolarHBondContact O-N 3.49Å; L87-F91 HydrophobicContact CB-CD2 4.33Å; L87-F91 HydrophobicContact CD2-CD2 3.74Å; L87-F91 HydrophobicContact CD2-CE2 3.21Å; L87-F91 HydrophobicContact CD2-CZ 3.9Å; L87-F91 HydrophobicContact CG-CE2 4.48Å; L87-F91 VanDerWaalsContact O-CB 3.27Å; L87-F91 WeakPolarHBondContact O-CB 3.43Å; L87-F91 WeakPolarHBondContact O-CD2 3.05Å; L87-F91 PolarHBondContact O-N 3.09Å
88	V	55	Low	54.4	Low	12 Å²	12	64 Å²	64	7%	0.073	32%	0.315	C	S	.	.	I	π-helix	trans	-60.2	-44.6	178.3	172.6	0	0	0	0	111.8	E57 I60 I64 L84 H85 S86 T92	E57-V88 HydrophobicContact CG-CG1 3.66Å; I60-V88 HydrophobicContact CG2-CG2 3.49Å; I60-V88 VanDerWaalsContact CG2-CG2 3.49Å; I64-V88 HydrophobicContact CD1-CG2 3.52Å; L84-V88 WeakPolarHBondContact O-CG2 3.3Å; L84-V88 PolarHBondContact O-N 2.83Å; H85-V88 PolarHBondContact O-N 3.05Å; S86-V88 PolarHBondContact O-N 3.23Å; V88-T92 PolarHBondContact O-OG1 3.05Å
89	K	56.9	Low	54.1	Low	143 Å²	143	63.6 Å²	63.6	62%	0.622	31%	0.308	S	S	*	.	I	π-helix	trans	-66.3	-41.1	178.8	-74.8	179.5	179.5	179.6	0	112.8	H85 S86 L87	H85-K89 WeakPolarHBondContact O-CG 3.48Å; H85-K89 PolarHBondContact O-N 3.03Å; H85-K89 VanDerWaalsContact O-N 3.1Å; S86-K89 PolarHBondContact O-N 3.47Å; L87-K89 PolarHBondContact O-N 2.9Å
90	Q	51.3	Low	54	Low	126 Å²	126	59.6 Å²	59.6	59%	0.589	29%	0.289	S	S	*	.	I	π-helix	trans	-82.3	-45.8	-174.4	-71.2	-174	7.5	0	0	112.8	S86 L87	S86-Q90 WeakPolarHBondContact O-CB 3.21Å; S86-Q90 WeakPolarHBondContact O-CG 3.26Å; S86-Q90 PolarHBondContact O-N 3.31Å; S86-Q90 PolarHBondContact OG-NE2 3.01Å; L87-Q90 PolarHBondContact O-N 3.49Å
91	F	48.3	Very low	54.5	Low	73 Å²	73	61.9 Å²	61.9	32%	0.32	30%	0.303	S	S	.	.	I	π-helix	trans	-85.3	-36.8	-166.6	-81.6	-106.5	0	0	0	114	L87 L147	L87-F91 HydrophobicContact CB-CD2 4.33Å; L87-F91 HydrophobicContact CD2-CD2 3.74Å; L87-F91 HydrophobicContact CD2-CE2 3.21Å; L87-F91 HydrophobicContact CD2-CZ 3.9Å; L87-F91 HydrophobicContact CG-CE2 4.48Å; L87-F91 VanDerWaalsContact O-CB 3.27Å; L87-F91 WeakPolarHBondContact O-CB 3.43Å; L87-F91 WeakPolarHBondContact O-CD2 3.05Å; L87-F91 PolarHBondContact O-N 3.09Å; F91-L147 HydrophobicContact CD1-CD1 4.01Å; F91-L147 HydrophobicContact CD1-CD2 3.79Å; F91-L147 HydrophobicContact CD1-CG 4.29Å; F91-L147 HydrophobicContact CD2-CD2 3.72Å; F91-L147 HydrophobicContact CE1-CB 3.43Å; F91-L147 VanDerWaalsContact CE1-CB 3.43Å; F91-L147 HydrophobicContact CE1-CD1 3.61Å; F91-L147 HydrophobicContact CE1-CD2 3.36Å; F91-L147 HydrophobicContact CE1-CG 3.59Å; F91-L147 HydrophobicContact CE2-CB 4.24Å; F91-L147 HydrophobicContact CE2-CD2 3.21Å; F91-L147 HydrophobicContact CE2-CG 4.21Å; F91-L147 HydrophobicContact CG-CD2 4.01Å; F91-L147 HydrophobicContact CZ-CB 3.28Å; F91-L147 HydrophobicContact CZ-CD1 4.17Å; F91-L147 HydrophobicContact CZ-CD2 3.1Å; F91-L147 HydrophobicContact CZ-CG 3.6Å; F91-L147 WeakPolarHBondContact CZ-O 3.47Å
92	T	49.7	Very low	54.5	Low	61 Å²	61	65.5 Å²	65.5	37%	0.374	32%	0.322	S	S	.	.	I	π-helix	trans	-107.4	-21.7	-159.3	32	0	0	0	0	114.4	V88 L96	V88-T92 PolarHBondContact O-OG1 3.05Å; T92-L96 WeakPolarHBondContact O-CD1 3.48Å
93	V	51.4	Low	54	Low	3 Å²	3	61.7 Å²	61.7	2%	0.018	31%	0.308	C	S	.	.	I	π-helix	trans	-135.5	-53.4	-154.3	-173.2	0	0	0	0	114.2	I53 E57 G95 L96 R97	I53-V93 HydrophobicContact CG2-CG1 4.13Å; I53-V93 HydrophobicContact CG2-CG2 4.18Å; E57-V93 HydrophobicContact CB-CB 4.43Å; E57-V93 HydrophobicContact CB-CG1 4.18Å; E57-V93 HydrophobicContact CB-CG2 3.57Å; E57-V93 VanDerWaalsContact CD-CG1 3.48Å; E57-V93 HydrophobicContact CG-CB 4.25Å; E57-V93 HydrophobicContact CG-CG1 4.28Å; E57-V93 HydrophobicContact CG-CG2 3.61Å; E57-V93 WeakPolarHBondContact OE2-CG1 3.32Å; V93-G95 PolarHBondContact O-N 3.29Å; V93-L96 PolarHBondContact O-N 2.98Å; V93-R97 HydrophobicContact CG1-CG 4.09Å; V93-R97 WeakPolarHBondContact O-CB 3.3Å; V93-R97 WeakPolarHBondContact O-CD 3.28Å; V93-R97 WeakPolarHBondContact O-CG 3.33Å; V93-R97 PolarHBondContact O-N 2.91Å
94	R	52.3	Low	54	Low	194 Å²	194	61.9 Å²	61.9	73%	0.732	31%	0.309	S	S	*	.	H	α-helix	trans	-64.4	-46.1	-176.8	-166.1	179.4	-169	176.1	4	112.8	R97 Q98	R94-R97 PolarHBondContact O-N 2.92Å; R94-Q98 PolarHBondContact O-N 3.48Å; R94-Q98 VanDerWaalsContact O-N 3.11Å
95	G	52.1	Low	54.2	Low	47 Å²	47	63.8 Å²	63.8	49%	0.485	33%	0.325	S	S	.	.	H	α-helix	trans	-64.9	-43.8	179.8	0	0	0	0	0	112.5	V93 E99	V93-G95 PolarHBondContact O-N 3.29Å; G95-E99 PolarHBondContact O-N 3.45Å
96	L	49.4	Very low	53.7	Low	37 Å²	37	66.2 Å²	66.2	19%	0.194	34%	0.339	C	S	.	.	H	α-helix	trans	-65.3	-44.3	175.6	-71.2	-177	0	0	0	111.2	M1 I53 T92 V93 Q98 E99 F100	M1-L96 HydrophobicContact CE-CD1 3.95Å; I53-L96 HydrophobicContact CD1-CD1 4.24Å; T92-L96 WeakPolarHBondContact O-CD1 3.48Å; V93-L96 PolarHBondContact O-N 2.98Å; L96-Q98 VanDerWaalsContact C-N 3.34Å; L96-Q98 PolarHBondContact O-N 2.82Å; L96-E99 WeakPolarHBondContact O-CB 3.47Å; L96-E99 PolarHBondContact O-N 3.14Å; L96-E99 VanDerWaalsContact O-N 3.1Å; L96-F100 HydrophobicContact CB-CD2 4.39Å; L96-F100 HydrophobicContact CB-CE2 4.31Å; L96-F100 WeakPolarHBondContact O-CD2 3.44Å; L96-F100 PolarHBondContact O-N 3.44Å
97	R	55	Low	53.2	Low	50 Å²	50	64.4 Å²	64.4	19%	0.189	33%	0.327	C	S	.	.	H	α-helix	trans	-53.4	-50.2	177.7	-80.4	170.5	178.6	166.1	5.7	112.1	Y54 E57 V93 R94 E99 F100 D101	Y54-R97 HydrophobicContact CE1-CG 4.32Å; Y54-R97 HydrophobicContact CE2-CG 4.13Å; Y54-R97 VanDerWaalsContact CZ-CD 3.48Å; Y54-R97 VanDerWaalsContact OH-CD 3.3Å; Y54-R97 WeakPolarHBondContact OH-CD 3.13Å; Y54-R97 WeakPolarHBondContact OH-CG 3.13Å; Y54-R97 PolarHBondContact OH-NE 2.7Å; E57-R97 IonicContact OE2-CZ 2.59Å; E57-R97 IonicContact OE2-NH1 3.33Å; E57-R97 PolarHBondContact OE2-NH1 3.18Å; E57-R97 IonicContact OE2-NH2 3.05Å; E57-R97 PolarHBondContact OE2-NH2 3.44Å; V93-R97 HydrophobicContact CG1-CG 4.09Å; V93-R97 WeakPolarHBondContact O-CB 3.3Å; V93-R97 WeakPolarHBondContact O-CD 3.28Å; V93-R97 WeakPolarHBondContact O-CG 3.33Å; V93-R97 PolarHBondContact O-N 2.91Å; R94-R97 PolarHBondContact O-N 2.92Å; R97-E99 VanDerWaalsContact C-N 3.28Å; R97-E99 PolarHBondContact O-N 2.69Å; R97-F100 PolarHBondContact O-N 3.06Å; R97-D101 VanDerWaalsContact O-CG 3.31Å; R97-D101 PolarHBondContact O-N 3.35Å
98	Q	56.7	Low	53.4	Low	118 Å²	118	64.3 Å²	64.3	55%	0.551	33%	0.326	S	S	*	.	H	α-helix	trans	-61.2	-39.9	179.8	-171.6	169.9	-4.6	0	0	111.3	R94 L96 D101 D102	R94-Q98 PolarHBondContact O-N 3.48Å; R94-Q98 VanDerWaalsContact O-N 3.11Å; L96-Q98 VanDerWaalsContact C-N 3.34Å; L96-Q98 PolarHBondContact O-N 2.82Å; Q98-D101 PolarHBondContact O-N 3.06Å; Q98-D102 WeakPolarHBondContact O-CB 3.2Å; Q98-D102 PolarHBondContact O-N 3.26Å
99	E	50.9	Low	53.4	Low	57 Å²	57	65.9 Å²	65.9	27%	0.266	34%	0.338	S	S	.	.	H	α-helix	trans	-65.2	-41.6	176	-166.8	173.8	178.5	0	0	112.4	K2 G95 L96 R97 V103	K2-E99 WeakPolarHBondContact CE-OE2 3.37Å; G95-E99 PolarHBondContact O-N 3.45Å; L96-E99 WeakPolarHBondContact O-CB 3.47Å; L96-E99 PolarHBondContact O-N 3.14Å; L96-E99 VanDerWaalsContact O-N 3.1Å; R97-E99 VanDerWaalsContact C-N 3.28Å; R97-E99 PolarHBondContact O-N 2.69Å; E99-V103 WeakPolarHBondContact O-CB 3.4Å; E99-V103 VanDerWaalsContact O-CG2 3.28Å; E99-V103 WeakPolarHBondContact O-CG2 2.99Å; E99-V103 PolarHBondContact O-N 3.4Å
100	F	53.3	Low	53	Low	9 Å²	9	62.6 Å²	62.6	4%	0.039	32%	0.322	C	S	.	.	H	α-helix	trans	-62.4	-41.6	173.5	-81.7	-80.2	0	0	0	112.2	L5 L46 D49 Q50 I53 L96 R97 T104	L5-F100 HydrophobicContact CD1-CD1 4.3Å; L5-F100 HydrophobicContact CD1-CE1 3.32Å; L5-F100 HydrophobicContact CD1-CZ 3.45Å; L5-F100 VanDerWaalsContact CD1-CZ 3.45Å; L46-F100 HydrophobicContact CB-CD1 4.14Å; L46-F100 HydrophobicContact CB-CE1 4.49Å; L46-F100 HydrophobicContact CD2-CD1 3.36Å; L46-F100 HydrophobicContact CD2-CE1 3.54Å; L46-F100 HydrophobicContact CG-CD1 4.38Å; L46-F100 WeakPolarHBondContact O-CD1 3.45Å; L46-F100 WeakPolarHBondContact O-CE1 3.48Å; D49-F100 HydrophobicContact CB-CE1 3.81Å; D49-F100 HydrophobicContact CB-CZ 3.93Å; Q50-F100 HydrophobicContact CB-CB 4.26Å; Q50-F100 HydrophobicContact CB-CD1 4.22Å; Q50-F100 HydrophobicContact CB-CD2 4.45Å; Q50-F100 HydrophobicContact CB-CG 4.09Å; Q50-F100 HydrophobicContact CG-CB 3.87Å; Q50-F100 HydrophobicContact CG-CD2 4.31Å; Q50-F100 HydrophobicContact CG-CG 4.08Å; I53-F100 HydrophobicContact CD1-CD2 4.28Å; I53-F100 HydrophobicContact CD1-CE2 3.4Å; I53-F100 HydrophobicContact CD1-CZ 3.9Å; L96-F100 HydrophobicContact CB-CD2 4.39Å; L96-F100 HydrophobicContact CB-CE2 4.31Å; L96-F100 WeakPolarHBondContact O-CD2 3.44Å; L96-F100 PolarHBondContact O-N 3.44Å; R97-F100 PolarHBondContact O-N 3.06Å; F100-T104 WeakPolarHBondContact O-CB 3.45Å; F100-T104 PolarHBondContact O-N 3.32Å; F100-T104 PolarHBondContact O-OG1 2.93Å
101	D	59.9	Low	52.9	Low	75 Å²	75	57.6 Å²	57.6	40%	0.401	30%	0.3	S	S	.	.	H	α-helix	trans	-67.1	-44.8	179.6	-70.8	-27.1	0	0	0	111.3	Q50 R97 Q98 T104 S105	Q50-D101 PolarHBondContact NE2-OD1 3.3Å; R97-D101 VanDerWaalsContact O-CG 3.31Å; R97-D101 PolarHBondContact O-N 3.35Å; Q98-D101 PolarHBondContact O-N 3.06Å; D101-T104 PolarHBondContact O-N 3.37Å; D101-S105 VanDerWaalsContact O-CB 3.27Å; D101-S105 WeakPolarHBondContact O-CB 3.28Å; D101-S105 PolarHBondContact O-N 2.9Å
102	D	55.7	Low	53.1	Low	89 Å²	89	60.5 Å²	60.5	48%	0.476	31%	0.31	S	S	.	.	H	α-helix	trans	-61.1	-49.6	177.8	-70	-18.2	0	0	0	110.7	Q98 T104 S105 D106	Q98-D102 WeakPolarHBondContact O-CB 3.2Å; Q98-D102 PolarHBondContact O-N 3.26Å; D102-T104 PolarHBondContact O-N 2.86Å; D102-S105 WeakPolarHBondContact O-CB 3.43Å; D102-S105 PolarHBondContact O-N 3.18Å; D102-D106 PolarHBondContact O-N 3.05Å
103	V	49.6	Very low	53	Low	31 Å²	31	64 Å²	64	19%	0.188	32%	0.322	C	S	.	.	H	α-helix	trans	-63.9	-40.9	177.8	174.6	0	0	0	0	111.5	L9 L46 E99 S105 D106 I107	L9-V103 HydrophobicContact CD1-CG1 3.67Å; L9-V103 HydrophobicContact CD2-CG1 4.36Å; L46-V103 HydrophobicContact CD1-CG1 3.67Å; L46-V103 HydrophobicContact CD2-CG1 4.42Å; E99-V103 WeakPolarHBondContact O-CB 3.4Å; E99-V103 VanDerWaalsContact O-CG2 3.28Å; E99-V103 WeakPolarHBondContact O-CG2 2.99Å; E99-V103 PolarHBondContact O-N 3.4Å; V103-S105 VanDerWaalsContact C-N 3.33Å; V103-S105 PolarHBondContact O-N 3.39Å; V103-D106 PolarHBondContact O-N 3.1Å; V103-I107 HydrophobicContact CG1-CD1 3.94Å; V103-I107 HydrophobicContact CG1-CG1 4.49Å; V103-I107 VanDerWaalsContact O-CG1 3.28Å; V103-I107 WeakPolarHBondContact O-CG1 3.4Å; V103-I107 PolarHBondContact O-N 2.9Å
104	T	54.3	Low	52.7	Low	11 Å²	11	67.8 Å²	67.8	7%	0.067	34%	0.338	C	S	.	.	H	α-helix	trans	-64.3	-39.5	177	-66.5	0	0	0	0	111.4	R43 F100 D101 D102 I107 N108	R43-T104 HydrophobicContact CG-CG2 3.98Å; F100-T104 WeakPolarHBondContact O-CB 3.45Å; F100-T104 PolarHBondContact O-N 3.32Å; F100-T104 PolarHBondContact O-OG1 2.93Å; D101-T104 PolarHBondContact O-N 3.37Å; D102-T104 PolarHBondContact O-N 2.86Å; T104-I107 PolarHBondContact O-N 2.92Å; T104-N108 WeakPolarHBondContact O-CB 3.33Å; T104-N108 PolarHBondContact O-N 3.06Å; T104-N108 PolarHBondContact O-ND2 2.7Å; T104-N108 VanDerWaalsContact O-ND2 3.09Å
105	S	60.2	Low	52.1	Low	73 Å²	73	63 Å²	63	51%	0.51	33%	0.332	S	S	.	.	H	α-helix	trans	-62.4	-47.6	175.6	-175.3	0	0	0	0	111.3	D101 D102 V103 I107 N108 S109	D101-S105 VanDerWaalsContact O-CB 3.27Å; D101-S105 WeakPolarHBondContact O-CB 3.28Å; D101-S105 PolarHBondContact O-N 2.9Å; D102-S105 WeakPolarHBondContact O-CB 3.43Å; D102-S105 PolarHBondContact O-N 3.18Å; V103-S105 VanDerWaalsContact C-N 3.33Å; V103-S105 PolarHBondContact O-N 3.39Å; S105-I107 PolarHBondContact O-N 3.45Å; S105-N108 WeakPolarHBondContact O-CB 3.48Å; S105-N108 PolarHBondContact O-N 3.31Å; S105-N108 VanDerWaalsContact O-N 3.17Å; S105-S109 PolarHBondContact O-N 3.21Å
106	D	52.8	Low	51.7	Low	94 Å²	94	67.3 Å²	67.3	50%	0.503	34%	0.344	S	S	.	.	H	α-helix	trans	-59	-48.9	176.5	-75.9	-14.6	0	0	0	111.1	D102 V103 N108 S109 Y110	D102-D106 PolarHBondContact O-N 3.05Å; V103-D106 PolarHBondContact O-N 3.1Å; D106-N108 VanDerWaalsContact C-N 3.29Å; D106-N108 PolarHBondContact O-N 3Å; D106-S109 VanDerWaalsContact O-CB 3.27Å; D106-S109 WeakPolarHBondContact O-CB 3.32Å; D106-S109 PolarHBondContact O-N 2.76Å; D106-S109 VanDerWaalsContact O-N 3.1Å; D106-Y110 WeakPolarHBondContact O-CD2 3.46Å; D106-Y110 PolarHBondContact O-N 2.93Å
107	I	50.5	Low	51	Low	4 Å²	4	73.3 Å²	73.3	2%	0.021	37%	0.371	C	S	.	.	H	α-helix	trans	-58.6	-42.5	176.9	-67.6	168.3	0	0	0	111.1	L9 L39 L42 R43 L46 V103 T104 S105 S109 Y110 V111	L9-I107 HydrophobicContact CD1-CD1 4.25Å; L9-I107 HydrophobicContact CD1-CG1 4.38Å; L39-I107 HydrophobicContact CB-CG2 4Å; L39-I107 HydrophobicContact CD2-CG1 4.34Å; L39-I107 HydrophobicContact CD2-CG2 4.33Å; L42-I107 HydrophobicContact CD2-CD1 3.98Å; L42-I107 HydrophobicContact CG-CD1 4.28Å; R43-I107 HydrophobicContact CB-CD1 4.46Å; R43-I107 HydrophobicContact CB-CG2 4Å; L46-I107 HydrophobicContact CD1-CD1 3.58Å; V103-I107 HydrophobicContact CG1-CD1 3.94Å; V103-I107 HydrophobicContact CG1-CG1 4.49Å; V103-I107 VanDerWaalsContact O-CG1 3.28Å; V103-I107 WeakPolarHBondContact O-CG1 3.4Å; V103-I107 PolarHBondContact O-N 2.9Å; T104-I107 PolarHBondContact O-N 2.92Å; S105-I107 PolarHBondContact O-N 3.45Å; I107-S109 VanDerWaalsContact C-N 3.31Å; I107-S109 PolarHBondContact O-N 3.38Å; I107-Y110 PolarHBondContact O-N 2.88Å; I107-V111 HydrophobicContact CG2-CG2 4Å; I107-V111 WeakPolarHBondContact O-CG2 3.44Å; I107-V111 PolarHBondContact O-N 2.77Å
108	N	57.3	Low	50	Low	43 Å²	43	77.3 Å²	77.3	23%	0.23	40%	0.401	C	S	.	.	H	α-helix	trans	-62.8	-40.2	177.2	-73.1	-31.5	0	0	0	111.5	R43 T104 S105 D106 Y110 V111 Y112	R43-N108 WeakPolarHBondContact CD-OD1 3.21Å; R43-N108 PolarHBondContact NH1-OD1 3.15Å; T104-N108 WeakPolarHBondContact O-CB 3.33Å; T104-N108 PolarHBondContact O-N 3.06Å; T104-N108 PolarHBondContact O-ND2 2.7Å; T104-N108 VanDerWaalsContact O-ND2 3.09Å; S105-N108 WeakPolarHBondContact O-CB 3.48Å; S105-N108 PolarHBondContact O-N 3.31Å; S105-N108 VanDerWaalsContact O-N 3.17Å; D106-N108 VanDerWaalsContact C-N 3.29Å; D106-N108 PolarHBondContact O-N 3Å; N108-Y110 VanDerWaalsContact C-N 3.3Å; N108-Y110 PolarHBondContact O-N 2.98Å; N108-V111 PolarHBondContact O-N 3.42Å; N108-Y112 HydrophobicContact CB-CD2 3.88Å; N108-Y112 HydrophobicContact CB-CE2 4.12Å; N108-Y112 WeakPolarHBondContact O-CB 3.35Å; N108-Y112 WeakPolarHBondContact O-CD2 3.46Å; N108-Y112 PolarHBondContact O-N 3.5Å; N108-Y112 WeakPolarHBondContact OD1-CE2 3.23Å
109	S	54.2	Low	48.9	Very low	45 Å²	45	76.4 Å²	76.4	32%	0.315	40%	0.404	S	S	.	.	H	α-helix	trans	-56.5	-46	173.7	-166.5	0	0	0	0	111.1	S105 D106 I107 Q113	S105-S109 PolarHBondContact O-N 3.21Å; D106-S109 VanDerWaalsContact O-CB 3.27Å; D106-S109 WeakPolarHBondContact O-CB 3.32Å; D106-S109 PolarHBondContact O-N 2.76Å; D106-S109 VanDerWaalsContact O-N 3.1Å; I107-S109 VanDerWaalsContact C-N 3.31Å; I107-S109 PolarHBondContact O-N 3.38Å; S109-Q113 WeakPolarHBondContact O-CB 3.15Å; S109-Q113 VanDerWaalsContact O-CG 3.32Å; S109-Q113 WeakPolarHBondContact O-CG 3.37Å; S109-Q113 PolarHBondContact O-N 3.1Å; S109-Q113 PolarHBondContact OG-NE2 2.71Å
110	Y	49.2	Very low	48	Very low	75 Å²	75	79.8 Å²	79.8	29%	0.294	42%	0.415	S	S	.	.	H	α-helix	trans	-69.7	-35.6	176.7	-75.6	-74.2	0	0	0	114.6	D106 I107 N108 F114 I126	D106-Y110 WeakPolarHBondContact O-CD2 3.46Å; D106-Y110 PolarHBondContact O-N 2.93Å; I107-Y110 PolarHBondContact O-N 2.88Å; N108-Y110 VanDerWaalsContact C-N 3.3Å; N108-Y110 PolarHBondContact O-N 2.98Å; Y110-F114 HydrophobicContact CD1-CE2 4.23Å; Y110-F114 VanDerWaalsContact O-CD2 3.28Å; Y110-F114 WeakPolarHBondContact O-CD2 3.35Å; Y110-I126 HydrophobicContact CE1-CD1 3.96Å
111	V	49.1	Very low	46.8	Very low	20 Å²	20	88.1 Å²	88.1	12%	0.121	45%	0.451	C	S	.	.	H	α-helix	trans	-74.9	-39.8	-179.4	171	0	0	0	0	111	L39 I107 N108	L39-V111 HydrophobicContact CB-CG2 3.84Å; L39-V111 HydrophobicContact CD1-CG2 4.39Å; I107-V111 HydrophobicContact CG2-CG2 4Å; I107-V111 WeakPolarHBondContact O-CG2 3.44Å; I107-V111 PolarHBondContact O-N 2.77Å; N108-V111 PolarHBondContact O-N 3.42Å
112	Y	51.9	Low	45.4	Very low	134 Å²	134	91.1 Å²	91.1	53%	0.525	47%	0.466	S	S	.	.	H	α-helix	trans	-102.2	-23.5	-167	-63.3	-66.2	0	0	0	115.1	R43 N108 F114 P115	R43-Y112 PolarHBondContact NH1-OH 2.95Å; N108-Y112 HydrophobicContact CB-CD2 3.88Å; N108-Y112 HydrophobicContact CB-CE2 4.12Å; N108-Y112 WeakPolarHBondContact O-CB 3.35Å; N108-Y112 WeakPolarHBondContact O-CD2 3.46Å; N108-Y112 PolarHBondContact O-N 3.5Å; N108-Y112 WeakPolarHBondContact OD1-CE2 3.23Å; Y112-F114 VanDerWaalsContact C-N 3.26Å; Y112-F114 PolarHBondContact O-N 2.77Å; Y112-P115 WeakPolarHBondContact O-CD 3.39Å
113	Q	47.6	Very low	44.3	Very low	136 Å²	136	91.7 Å²	91.7	64%	0.636	47%	0.468	S	S	*	.	S	Bend	trans	-77	-6.6	179.1	-68.5	-170.9	-3.5	0	0	114.4	S109 P115	S109-Q113 WeakPolarHBondContact O-CB 3.15Å; S109-Q113 VanDerWaalsContact O-CG 3.32Å; S109-Q113 WeakPolarHBondContact O-CG 3.37Å; S109-Q113 PolarHBondContact O-N 3.1Å; S109-Q113 PolarHBondContact OG-NE2 2.71Å; Q113-P115 VanDerWaalsContact O-CD 3.32Å; Q113-P115 WeakPolarHBondContact O-CD 3.45Å
114	F	44.6	Very low	43.3	Very low	82 Å²	82	97.9 Å²	97.9	36%	0.36	50%	0.5	S	S	.	.			trans	-114.2	56.4	-179.7	-57.6	-85.2	0	0	0	114.8	K36 Y110 Y112	K36-F114 PolarHBondContact NZ-O 2.99Å; Y110-F114 HydrophobicContact CD1-CE2 4.23Å; Y110-F114 VanDerWaalsContact O-CD2 3.28Å; Y110-F114 WeakPolarHBondContact O-CD2 3.35Å; Y112-F114 VanDerWaalsContact C-N 3.26Å; Y112-F114 PolarHBondContact O-N 2.77Å
115	P	40.5	Very low	42.1	Very low	93 Å²	93	100 Å²	100	60%	0.604	52%	0.524	S	S	*	.	S	Bend	trans	-68	-40.1	175.3	-16.5	30.6	0	0	0	112.6	Y112 Q113	Y112-P115 WeakPolarHBondContact O-CD 3.39Å; Q113-P115 VanDerWaalsContact O-CD 3.32Å; Q113-P115 WeakPolarHBondContact O-CD 3.45Å
116	N	42.8	Very low	40.8	Very low	138 Å²	138	101.1 Å²	101.1	74%	0.738	52%	0.524	S	S	*	.	S	Bend	trans	-142	12.9	-158.8	-78.1	-17.8	0	0	0	117.5	T118	N116-T118 PolarHBondContact O-N 3.29Å
117	H	35	Very low	39.5	Very low	162 Å²	162	103.7 Å²	103.7	75%	0.75	54%	0.537	S	S	*	.			trans	-94.5	89	177.4	-77.2	-72.5	0	0	0	111.8	T119	H117-T119 PolarHBondContact O-N 3.38Å
118	T	35.1	Very low	38.4	Very low	134 Å²	134	108.9 Å²	108.9	82%	0.822	57%	0.569	S	S	*	*			trans	-65.4	26.5	170.7	-3	0	0	0	0	113.7	N116	N116-T118 PolarHBondContact O-N 3.29Å
119	T	33.5	Very low	36.9	Very low	99 Å²	99	114.7 Å²	114.7	61%	0.607	60%	0.595	S	S	*	*			trans	-142.8	102.7	-174.5	-37.2	0	0	0	0	108.7	H117 K121	H117-T119 PolarHBondContact O-N 3.38Å; T119-K121 PolarHBondContact O-N 2.8Å
120	Y	31.4	Very low	35.4	Very low	129 Å²	129	120.7 Å²	120.7	51%	0.506	62%	0.615	S	S	.	*			trans	-52.3	22.3	179.9	-67.3	-86.1	0	0	0	116.9	E26 Q28 L122	E26-Y120 WeakPolarHBondContact OE1-CE2 3.47Å; Q28-Y120 PolarHBondContact NE2-OH 3.43Å; Y120-L122 PolarHBondContact O-N 2.81Å
121	K	28.8	Very low	34.4	Very low	183 Å²	183	119.6 Å²	119.6	80%	0.796	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.7	6.8	-168.5	-122.8	-179.4	-178.9	-179.1	0	115.5	T119	T119-K121 PolarHBondContact O-N 2.8Å
122	L	28.6	Very low	33.3	Very low	139 Å²	139	122.3 Å²	122.3	73%	0.728	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.1	16.2	-176	-92.5	157	0	0	0	115.7	Y120 N124	Y120-L122 PolarHBondContact O-N 2.81Å; L122-N124 PolarHBondContact O-N 3.23Å
123	I	33.6	Very low	32.1	Very low	101 Å²	101	119.7 Å²	119.7	52%	0.518	64%	0.637	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.8	-13.1	167	-60.7	-179.4	0	0	0	111.7	V20	V20-I123 HydrophobicContact CG1-CG2 4.42Å; V20-I123 HydrophobicContact CG2-CD1 3.9Å; V20-I123 HydrophobicContact CG2-CG2 4.04Å
124	N	29.1	Very low	31	Very low	160 Å²	160	117.9 Å²	117.9	86%	0.856	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	6.1	-177.6	-74.2	-1	0	0	0	115.7	L122	L122-N124 PolarHBondContact O-N 3.23Å
125	G	29	Very low	30.1	Very low	55 Å²	55	119.4 Å²	119.4	57%	0.567	64%	0.639	S	S	*	*			trans	-109	-17.2	-173.2	0	0	0	0	0	116.2	N127	G125-N127 VanDerWaalsContact C-N 3.32Å; G125-N127 PolarHBondContact O-N 2.94Å
126	I	31.9	Very low	29.4	Very low	98 Å²	98	119.6 Å²	119.6	50%	0.503	63%	0.632	S	S	.	*			trans	-82.6	88.6	-177	-52.2	-178	0	0	0	108.2	Y110 V128	Y110-I126 HydrophobicContact CE1-CD1 3.96Å; I126-V128 HydrophobicContact CG2-CG2 3.98Å; I126-V128 PolarHBondContact O-N 3.23Å
127	N	26.6	Very low	28.6	Very low	147 Å²	147	116 Å²	116	79%	0.786	62%	0.616	S	S	*	*			trans	-66.6	89.8	162.7	-143.6	-7.3	0	0	0	105.9	G125 Q129	G125-N127 VanDerWaalsContact C-N 3.32Å; G125-N127 PolarHBondContact O-N 2.94Å; N127-Q129 PolarHBondContact O-N 3.43Å
128	V	26.9	Very low	28.2	Very low	114 Å²	114	113.3 Å²	113.3	69%	0.691	61%	0.611	S	S	*	*			trans	-64.7	90.9	166.9	-176.4	0	0	0	0	104.4	I126 K130	I126-V128 HydrophobicContact CG2-CG2 3.98Å; I126-V128 PolarHBondContact O-N 3.23Å; V128-K130 PolarHBondContact O-N 2.92Å
129	Q	24.7	Very low	27.7	Very low	165 Å²	165	112.4 Å²	112.4	77%	0.771	60%	0.601	S	S	*	*			trans	-50.1	122.7	164.1	-81.4	-172.5	-22.3	0	0	104.5	N127 S131	N127-Q129 PolarHBondContact O-N 3.43Å; Q129-S131 PolarHBondContact O-N 2.92Å
130	K	24.6	Very low	27.3	Very low	171 Å²	171	111.7 Å²	111.7	74%	0.743	59%	0.593	S	S	*	*			trans	-47.3	103.8	163.5	-78.9	-179.7	176	179.6	0	104.3	V128 S132	V128-K130 PolarHBondContact O-N 2.92Å; K130-S132 PolarHBondContact O-N 2.74Å; K130-S132 VanDerWaalsContact O-N 3.1Å
131	S	26.6	Very low	27.1	Very low	52 Å²	52	113.8 Å²	113.8	36%	0.364	61%	0.607	S	S	.	*			trans	-59.6	129.4	175.2	91.5	0	0	0	0	103.3	Q129 T133 L134	Q129-S131 PolarHBondContact O-N 2.92Å; S131-T133 VanDerWaalsContact CB-OG1 3.28Å; S131-T133 WeakPolarHBondContact CB-OG1 3.15Å; S131-T133 PolarHBondContact O-N 3.34Å; S131-T133 WeakPolarHBondContact OG-CB 3.45Å; S131-T133 PolarHBondContact OG-N 2.98Å; S131-T133 PolarHBondContact OG-OG1 3.49Å; S131-L134 PolarHBondContact O-N 2.82Å; S131-L134 PolarHBondContact OG-N 2.95Å
132	S	26	Very low	27	Very low	77 Å²	77	109.9 Å²	109.9	54%	0.538	59%	0.594	S	S	.	*	H	α-helix	trans	-49.8	-31.8	171.4	48.2	0	0	0	0	108.8	K130 L134 Q135 E136	K130-S132 PolarHBondContact O-N 2.74Å; K130-S132 VanDerWaalsContact O-N 3.1Å; S132-L134 VanDerWaalsContact C-N 3.32Å; S132-L134 PolarHBondContact O-N 3.37Å; S132-Q135 PolarHBondContact O-N 3.42Å; S132-E136 WeakPolarHBondContact O-CA 3.28Å; S132-E136 WeakPolarHBondContact O-CB 3.27Å; S132-E136 VanDerWaalsContact O-CG 3.3Å; S132-E136 WeakPolarHBondContact O-CG 3.46Å; S132-E136 PolarHBondContact O-N 2.99Å
133	T	27.3	Very low	26.9	Very low	79 Å²	79	105.5 Å²	105.5	49%	0.485	58%	0.575	S	S	.	*	H	α-helix	trans	-54.4	-32.9	170.1	6.5	0	0	0	0	115.6	S131 C137	S131-T133 VanDerWaalsContact CB-OG1 3.28Å; S131-T133 WeakPolarHBondContact CB-OG1 3.15Å; S131-T133 PolarHBondContact O-N 3.34Å; S131-T133 WeakPolarHBondContact OG-CB 3.45Å; S131-T133 PolarHBondContact OG-N 2.98Å; S131-T133 PolarHBondContact OG-OG1 3.49Å; T133-C137 WeakPolarHBondContact O-CA 3.43Å; T133-C137 WeakPolarHBondContact O-CB 3.38Å; T133-C137 PolarHBondContact O-N 3.14Å; T133-C137 PolarHBondContact O-SG 3.41Å
134	L	25.5	Very low	26.8	Very low	97 Å²	97	106.6 Å²	106.6	51%	0.508	58%	0.58	S	S	.	*	H	α-helix	trans	-73.5	-43.5	176.7	-156.1	92.8	0	0	0	110.7	L6 S131 S132 C137 V138	L6-L134 HydrophobicContact CD2-CD1 4.35Å; S131-L134 PolarHBondContact O-N 2.82Å; S131-L134 PolarHBondContact OG-N 2.95Å; S132-L134 VanDerWaalsContact C-N 3.32Å; S132-L134 PolarHBondContact O-N 3.37Å; L134-C137 PolarHBondContact O-N 2.94Å; L134-V138 WeakPolarHBondContact O-CB 3.25Å; L134-V138 WeakPolarHBondContact O-CG2 3.31Å; L134-V138 PolarHBondContact O-N 3.37Å
135	Q	24.5	Very low	26.6	Very low	114 Å²	114	106 Å²	106	53%	0.533	57%	0.571	S	S	.	*	H	α-helix	trans	-74.9	-34	179.1	-154.9	170.5	0.4	0	0	111.2	S132 N139	S132-Q135 PolarHBondContact O-N 3.42Å; Q135-N139 WeakPolarHBondContact O-CA 3.44Å; Q135-N139 WeakPolarHBondContact O-CB 3.48Å; Q135-N139 PolarHBondContact O-N 3.29Å
136	E	26.3	Very low	26.5	Very low	98 Å²	98	108.8 Å²	108.8	46%	0.458	57%	0.572	S	S	.	*	H	α-helix	trans	-71	-38.9	170.5	-76.4	176.2	176.9	0	0	111.4	S132 V138 I140	S132-E136 WeakPolarHBondContact O-CA 3.28Å; S132-E136 WeakPolarHBondContact O-CB 3.27Å; S132-E136 VanDerWaalsContact O-CG 3.3Å; S132-E136 WeakPolarHBondContact O-CG 3.46Å; S132-E136 PolarHBondContact O-N 2.99Å; E136-V138 VanDerWaalsContact C-N 3.32Å; E136-V138 PolarHBondContact O-N 3.41Å; E136-I140 HydrophobicContact CB-CD1 3.56Å; E136-I140 HydrophobicContact CB-CG1 4.04Å; E136-I140 HydrophobicContact CG-CD1 3.92Å; E136-I140 HydrophobicContact CG-CG1 4.42Å; E136-I140 VanDerWaalsContact O-CA 3.26Å; E136-I140 WeakPolarHBondContact O-CA 3.46Å; E136-I140 WeakPolarHBondContact O-CB 3.46Å; E136-I140 WeakPolarHBondContact O-CG1 3.22Å; E136-I140 PolarHBondContact O-N 3.04Å
137	C	26.2	Very low	26.2	Very low	61 Å²	61	107.1 Å²	107.1	41%	0.412	56%	0.564	S	S	.	*	H	α-helix	trans	-72	-28.2	175.3	-77.7	0	0	0	0	112.6	T133 L134	T133-C137 WeakPolarHBondContact O-CA 3.43Å; T133-C137 WeakPolarHBondContact O-CB 3.38Å; T133-C137 PolarHBondContact O-N 3.14Å; T133-C137 PolarHBondContact O-SG 3.41Å; L134-C137 PolarHBondContact O-N 2.94Å
138	V	26	Very low	26.2	Very low	106 Å²	106	105.1 Å²	105.1	64%	0.642	55%	0.553	S	S	*	*	H	α-helix	trans	-85.8	-33.6	177.8	178.7	0	0	0	0	111.6	L134 E136	L134-V138 WeakPolarHBondContact O-CB 3.25Å; L134-V138 WeakPolarHBondContact O-CG2 3.31Å; L134-V138 PolarHBondContact O-N 3.37Å; E136-V138 VanDerWaalsContact C-N 3.32Å; E136-V138 PolarHBondContact O-N 3.41Å
139	N	24.2	Very low	26.2	Very low	115 Å²	115	103.5 Å²	103.5	62%	0.615	55%	0.547	S	S	*	.	H	α-helix	trans	-100.1	-22.9	-179	-69.9	-15.1	0	0	0	114.6	Q135 H141	Q135-N139 WeakPolarHBondContact O-CA 3.44Å; Q135-N139 WeakPolarHBondContact O-CB 3.48Å; Q135-N139 PolarHBondContact O-N 3.29Å; N139-H141 PolarHBondContact O-N 3Å
140	I	25.7	Very low	26.3	Very low	84 Å²	84	97.5 Å²	97.5	43%	0.431	53%	0.529	S	S	.	.			trans	-78.7	86.2	166.3	-46.7	169.5	0	0	0	105.1	E136 I142	E136-I140 HydrophobicContact CB-CD1 3.56Å; E136-I140 HydrophobicContact CB-CG1 4.04Å; E136-I140 HydrophobicContact CG-CD1 3.92Å; E136-I140 HydrophobicContact CG-CG1 4.42Å; E136-I140 VanDerWaalsContact O-CA 3.26Å; E136-I140 WeakPolarHBondContact O-CA 3.46Å; E136-I140 WeakPolarHBondContact O-CB 3.46Å; E136-I140 WeakPolarHBondContact O-CG1 3.22Å; E136-I140 PolarHBondContact O-N 3.04Å; I140-I142 HydrophobicContact CB-CG1 4.03Å; I140-I142 HydrophobicContact CG2-CB 4.24Å; I140-I142 HydrophobicContact CG2-CD1 4.33Å; I140-I142 HydrophobicContact CG2-CG1 3.27Å; I140-I142 PolarHBondContact O-N 3.24Å
141	H	27.1	Very low	26.6	Very low	174 Å²	174	95.7 Å²	95.7	81%	0.806	53%	0.534	S	S	*	.			trans	-49.7	84.2	137.7	-88.7	-81.4	0	0	0	106.3	N139 S143	N139-H141 PolarHBondContact O-N 3Å; H141-S143 PolarHBondContact O-N 2.77Å
142	I	26	Very low	26.9	Very low	100 Å²	100	104.2 Å²	104.2	51%	0.513	56%	0.559	S	S	.	*			trans	-68.2	92.9	160.9	-60.7	178.3	0	0	0	101.3	I140 I144 L147	I140-I142 HydrophobicContact CB-CG1 4.03Å; I140-I142 HydrophobicContact CG2-CB 4.24Å; I140-I142 HydrophobicContact CG2-CD1 4.33Å; I140-I142 HydrophobicContact CG2-CG1 3.27Å; I140-I142 PolarHBondContact O-N 3.24Å; I142-I144 PolarHBondContact O-N 2.8Å; I142-L147 HydrophobicContact CG2-CD1 3.71Å; I142-L147 HydrophobicContact CG2-CG 4.36Å
143	S	28	Very low	27	Very low	47 Å²	47	102.3 Å²	102.3	33%	0.329	55%	0.545	S	S	.	.			trans	-50.5	119.9	170.4	176.4	0	0	0	0	105.3	H141 F145 D146	H141-S143 PolarHBondContact O-N 2.77Å; S143-F145 PolarHBondContact O-N 3.28Å; S143-F145 WeakPolarHBondContact OG-CB 3.42Å; S143-F145 PolarHBondContact OG-N 2.75Å; S143-D146 PolarHBondContact O-N 2.83Å
144	I	30	Very low	27.2	Very low	124 Å²	124	104.4 Å²	104.4	64%	0.636	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-48.1	-22	170.6	-78.5	170.8	0	0	0	110.4	I142 L147	I142-I144 PolarHBondContact O-N 2.8Å; I144-L147 WeakPolarHBondContact O-CB 3.46Å
145	F	25.3	Very low	27.5	Very low	149 Å²	149	104.8 Å²	104.8	65%	0.654	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73	-38.1	175.5	-75.4	-89.1	0	0	0	115.9	S143 L147 L148 S149	S143-F145 PolarHBondContact O-N 3.28Å; S143-F145 WeakPolarHBondContact OG-CB 3.42Å; S143-F145 PolarHBondContact OG-N 2.75Å; F145-L147 PolarHBondContact O-N 3.5Å; F145-L147 VanDerWaalsContact O-N 3.16Å; F145-L148 PolarHBondContact O-N 3.32Å; F145-S149 PolarHBondContact O-N 2.87Å; F145-S149 VanDerWaalsContact O-N 3.13Å; F145-S149 PolarHBondContact O-OG 3.48Å
146	D	27.2	Very low	27.9	Very low	113 Å²	113	100.9 Å²	100.9	60%	0.604	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-28.3	178.4	-72.9	-27.8	0	0	0	111.3	S143 L148 S149 G150	S143-D146 PolarHBondContact O-N 2.83Å; D146-L148 VanDerWaalsContact C-N 3.32Å; D146-S149 WeakPolarHBondContact CA-OG 3.43Å; D146-S149 PolarHBondContact O-N 3.34Å; D146-G150 PolarHBondContact O-N 3.17Å
147	L	26.6	Very low	28.3	Very low	62 Å²	62	100.5 Å²	100.5	33%	0.325	56%	0.557	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.1	-26.2	176.6	-109.1	163.7	0	0	0	112.5	F91 I142 I144 F145	F91-L147 HydrophobicContact CD1-CD1 4.01Å; F91-L147 HydrophobicContact CD1-CD2 3.79Å; F91-L147 HydrophobicContact CD1-CG 4.29Å; F91-L147 HydrophobicContact CD2-CD2 3.72Å; F91-L147 HydrophobicContact CE1-CB 3.43Å; F91-L147 VanDerWaalsContact CE1-CB 3.43Å; F91-L147 HydrophobicContact CE1-CD1 3.61Å; F91-L147 HydrophobicContact CE1-CD2 3.36Å; F91-L147 HydrophobicContact CE1-CG 3.59Å; F91-L147 HydrophobicContact CE2-CB 4.24Å; F91-L147 HydrophobicContact CE2-CD2 3.21Å; F91-L147 HydrophobicContact CE2-CG 4.21Å; F91-L147 HydrophobicContact CG-CD2 4.01Å; F91-L147 HydrophobicContact CZ-CB 3.28Å; F91-L147 HydrophobicContact CZ-CD1 4.17Å; F91-L147 HydrophobicContact CZ-CD2 3.1Å; F91-L147 HydrophobicContact CZ-CG 3.6Å; F91-L147 WeakPolarHBondContact CZ-O 3.47Å; I142-L147 HydrophobicContact CG2-CD1 3.71Å; I142-L147 HydrophobicContact CG2-CG 4.36Å; I144-L147 WeakPolarHBondContact O-CB 3.46Å; F145-L147 PolarHBondContact O-N 3.5Å; F145-L147 VanDerWaalsContact O-N 3.16Å
148	L	25.9	Very low	28.6	Very low	105 Å²	105	100 Å²	100	55%	0.55	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.6	-20.7	173.4	-69.8	172.2	0	0	0	113.3	F145 D146	F145-L148 PolarHBondContact O-N 3.32Å; D146-L148 VanDerWaalsContact C-N 3.32Å
149	S	26.5	Very low	29.2	Very low	81 Å²	81	102.6 Å²	102.6	57%	0.566	56%	0.557	S	S	*	*			trans	-105.7	9.1	-174.8	54.7	0	0	0	0	114.8	F145 D146	F145-S149 PolarHBondContact O-N 2.87Å; F145-S149 VanDerWaalsContact O-N 3.13Å; F145-S149 PolarHBondContact O-OG 3.48Å; D146-S149 WeakPolarHBondContact CA-OG 3.43Å; D146-S149 PolarHBondContact O-N 3.34Å
150	G	27	Very low	29.6	Very low	38 Å²	38	100.7 Å²	100.7	39%	0.392	55%	0.547	S	S	.	.	S	Bend	trans	-53	133.3	166.4	0	0	0	0	0	110	D146 R152	D146-G150 PolarHBondContact O-N 3.17Å; G150-R152 PolarHBondContact O-N 2.95Å
151	P	31.1	Very low	30	Very low	133 Å²	133	103.6 Å²	103.6	86%	0.864	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	23.4	-162.8	25.5	-35.2	0	0	0	116.2
152	R	31.9	Very low	30.3	Very low	232 Å²	232	100.7 Å²	100.7	88%	0.875	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.9	17.1	-173	-62.8	-170.2	-177.1	-175.4	1.5	115.6	G150	G150-R152 PolarHBondContact O-N 2.95Å
153	C	28.1	Very low	30.7	Very low	37 Å²	37	98.5 Å²	98.5	25%	0.25	54%	0.54	C	S	.	.			trans	-131.6	79.2	175.3	-110.2	0	0	0	0	109.8	C83 L155	C83-C153 WeakPolarHBondContact CA-SG 3.3Å; C83-C153 HydrophobicContact CB-CB 4.21Å; C83-C153 WeakPolarHBondContact CB-SG 3.49Å; C83-C153 WeakPolarHBondContact SG-CB 3.27Å; C83-C153 CovalentContact SG-SG 2.05Å; C83-C153 PolarHBondContact SG-SG 3.46Å; C153-L155 PolarHBondContact O-N 3.5Å
154	V	32.4	Very low	30.8	Very low	122 Å²	122	98.7 Å²	98.7	74%	0.739	54%	0.539	S	S	*	.			trans	-86.3	106.5	171.5	-175	0	0	0	0	106.9
155	L	31.5	Very low	31	Very low	105 Å²	105	96 Å²	96	55%	0.55	53%	0.53	S	S	.	.			trans	-54.3	139.7	166.1	-74.9	164.2	0	0	0	108.2	Y80 C153 A157	Y80-L155 HydrophobicContact CD2-CD2 3.74Å; Y80-L155 HydrophobicContact CE2-CD2 3.56Å; C153-L155 PolarHBondContact O-N 3.5Å; L155-A157 PolarHBondContact O-N 3.05Å
156	P	33.4	Very low	31.5	Very low	33 Å²	33	95.8 Å²	95.8	21%	0.214	53%	0.526	C	S	.	.			trans	-45.9	132.3	170.9	-26.4	33.1	0	0	0	109.9	T76 Y80 S158	T76-P156 HydrophobicContact CG2-CB 3.54Å; T76-P156 HydrophobicContact CG2-CG 3.96Å; Y80-P156 HydrophobicContact CD2-CG 4.16Å; Y80-P156 HydrophobicContact CG-CG 4.18Å; P156-S158 PolarHBondContact O-N 2.91Å; P156-S158 VanDerWaalsContact O-N 3.16Å
157	A	33.5	Very low	31.9	Very low	89 Å²	89	92.8 Å²	92.8	74%	0.736	51%	0.509	S	S	*	.			trans	-55.4	126.2	165.9	0	0	0	0	0	107.2	L155 K159	L155-A157 PolarHBondContact O-N 3.05Å; A157-K159 PolarHBondContact O-N 3.1Å
158	S	32.6	Very low	32.3	Very low	50 Å²	50	94 Å²	94	35%	0.35	52%	0.515	S	S	.	.			trans	-57.4	138.9	174.2	83.7	0	0	0	0	108.2	P156 N160 T164	P156-S158 PolarHBondContact O-N 2.91Å; P156-S158 VanDerWaalsContact O-N 3.16Å; S158-N160 WeakPolarHBondContact CB-O 3.39Å; S158-N160 PolarHBondContact OG-O 3.09Å; S158-N160 VanDerWaalsContact OG-O 3.06Å; S158-T164 WeakPolarHBondContact CB-OG1 3.49Å; S158-T164 PolarHBondContact OG-OG1 3.45Å
159	K	39.4	Very low	32.7	Very low	162 Å²	162	91.8 Å²	91.8	70%	0.704	51%	0.506	S	S	*	.	S	Bend	trans	-81	-17	174.6	-67	-172.9	176.4	-176	0	111.1	A157 D163	A157-K159 PolarHBondContact O-N 3.1Å; K159-D163 PolarHBondContact N-OD2 2.91Å
160	N	32.8	Very low	33.3	Very low	75 Å²	75	93.3 Å²	93.3	40%	0.401	51%	0.507	S	S	.	.	S	Bend	trans	-160.7	169.4	177.4	54.9	56.4	0	0	0	110.3	S158 E162 D163 T164	S158-N160 WeakPolarHBondContact CB-O 3.39Å; S158-N160 PolarHBondContact OG-O 3.09Å; S158-N160 VanDerWaalsContact OG-O 3.06Å; N160-E162 PolarHBondContact O-N 3.26Å; N160-E162 WeakPolarHBondContact OD1-CA 3.18Å; N160-E162 VanDerWaalsContact OD1-CB 3.28Å; N160-E162 WeakPolarHBondContact OD1-CB 3.43Å; N160-E162 PolarHBondContact OD1-N 2.9Å; N160-E162 VanDerWaalsContact OD1-N 3.09Å; N160-D163 PolarHBondContact O-N 3.3Å; N160-D163 PolarHBondContact OD1-N 3.46Å; N160-T164 PolarHBondContact O-N 2.89Å; N160-T164 PolarHBondContact O-OG1 3.31Å
161	D	34.4	Very low	33.7	Very low	144 Å²	144	96 Å²	96	77%	0.77	52%	0.515	S	S	*	.	H	α-helix	trans	-62.3	-25.2	179	-64.2	-30.7	0	0	0	112.9	S165	D161-S165 WeakPolarHBondContact O-CB 3.46Å; D161-S165 PolarHBondContact O-N 3.47Å
162	E	33.6	Very low	33.8	Very low	114 Å²	114	95.9 Å²	95.9	53%	0.533	50%	0.502	S	S	.	.	H	α-helix	trans	-71.1	-40	178.9	-159.7	178.7	159.8	0	0	111.8	N160 S165 R166	N160-E162 PolarHBondContact O-N 3.26Å; N160-E162 WeakPolarHBondContact OD1-CA 3.18Å; N160-E162 VanDerWaalsContact OD1-CB 3.28Å; N160-E162 WeakPolarHBondContact OD1-CB 3.43Å; N160-E162 PolarHBondContact OD1-N 2.9Å; N160-E162 VanDerWaalsContact OD1-N 3.09Å; E162-S165 PolarHBondContact O-N 3.04Å; E162-R166 WeakPolarHBondContact O-CB 3.41Å; E162-R166 VanDerWaalsContact O-CG 3.28Å; E162-R166 WeakPolarHBondContact O-CG 3.15Å; E162-R166 PolarHBondContact O-N 2.96Å; E162-R166 IonicContact OE1-CZ 3.13Å; E162-R166 IonicContact OE1-NE 3.44Å; E162-R166 PolarHBondContact OE1-NE 2.69Å; E162-R166 IonicContact OE1-NH2 3.14Å; E162-R166 PolarHBondContact OE1-NH2 2.97Å
163	D	33.5	Very low	34	Very low	54 Å²	54	93.2 Å²	93.2	29%	0.289	49%	0.492	S	S	.	.	H	α-helix	trans	-64.2	-42.2	175.5	-73.6	-22.4	0	0	0	111.4	K159 N160 S165 R166 L167	K159-D163 PolarHBondContact N-OD2 2.91Å; N160-D163 PolarHBondContact O-N 3.3Å; N160-D163 PolarHBondContact OD1-N 3.46Å; D163-S165 VanDerWaalsContact C-N 3.34Å; D163-R166 PolarHBondContact O-N 2.9Å; D163-L167 WeakPolarHBondContact O-CB 3.42Å; D163-L167 PolarHBondContact O-N 3.04Å
164	T	31.2	Very low	34.4	Very low	51 Å²	51	95.4 Å²	95.4	31%	0.313	50%	0.497	S	S	.	.	H	α-helix	trans	-58.9	-48.5	173.6	-52.7	0	0	0	0	110.4	S158 N160 R166 L167 I168	S158-T164 WeakPolarHBondContact CB-OG1 3.49Å; S158-T164 PolarHBondContact OG-OG1 3.45Å; N160-T164 PolarHBondContact O-N 2.89Å; N160-T164 PolarHBondContact O-OG1 3.31Å; T164-R166 PolarHBondContact O-N 2.93Å; T164-L167 PolarHBondContact O-N 3.25Å; T164-I168 HydrophobicContact CG2-CD1 3.7Å; T164-I168 HydrophobicContact CG2-CG1 4.45Å; T164-I168 WeakPolarHBondContact O-CB 3.39Å; T164-I168 VanDerWaalsContact O-CG1 3.22Å; T164-I168 WeakPolarHBondContact O-CG1 3.48Å; T164-I168 PolarHBondContact O-N 3.22Å
165	S	32.6	Very low	34.4	Very low	66 Å²	66	96.8 Å²	96.8	46%	0.462	49%	0.49	S	S	.	.	H	α-helix	trans	-64.2	-40.3	-179.3	-168.6	0	0	0	0	111.8	D161 E162 D163 T169	D161-S165 WeakPolarHBondContact O-CB 3.46Å; D161-S165 PolarHBondContact O-N 3.47Å; E162-S165 PolarHBondContact O-N 3.04Å; D163-S165 VanDerWaalsContact C-N 3.34Å; S165-T169 WeakPolarHBondContact O-CB 3.3Å; S165-T169 PolarHBondContact O-N 3.32Å; S165-T169 PolarHBondContact O-OG1 2.89Å
166	R	35.8	Very low	34.6	Very low	146 Å²	146	95.4 Å²	95.4	55%	0.551	48%	0.483	S	S	*	.	H	α-helix	trans	-64.1	-45.8	176.3	-74.6	173.4	-176.5	-159	4.1	112.3	E162 D163 T164 T169 L170	E162-R166 WeakPolarHBondContact O-CB 3.41Å; E162-R166 VanDerWaalsContact O-CG 3.28Å; E162-R166 WeakPolarHBondContact O-CG 3.15Å; E162-R166 PolarHBondContact O-N 2.96Å; E162-R166 IonicContact OE1-CZ 3.13Å; E162-R166 IonicContact OE1-NE 3.44Å; E162-R166 PolarHBondContact OE1-NE 2.69Å; E162-R166 IonicContact OE1-NH2 3.14Å; E162-R166 PolarHBondContact OE1-NH2 2.97Å; D163-R166 PolarHBondContact O-N 2.9Å; T164-R166 PolarHBondContact O-N 2.93Å; R166-T169 PolarHBondContact O-N 3.45Å; R166-L170 WeakPolarHBondContact O-CB 3.17Å; R166-L170 PolarHBondContact O-N 3.04Å
167	L	36.5	Very low	34.6	Very low	50 Å²	50	99.4 Å²	99.4	26%	0.262	50%	0.501	S	S	.	.	H	α-helix	trans	-63.5	-46.3	177.8	-80.3	163.8	0	0	0	111.8	Y80 D163 T164 L170 V171	Y80-L167 HydrophobicContact CE1-CD2 4.28Å; Y80-L167 HydrophobicContact CE2-CD2 3.64Å; Y80-L167 VanDerWaalsContact CZ-CD2 3.45Å; Y80-L167 WeakPolarHBondContact OH-CD2 3.32Å; D163-L167 WeakPolarHBondContact O-CB 3.42Å; D163-L167 PolarHBondContact O-N 3.04Å; T164-L167 PolarHBondContact O-N 3.25Å; L167-L170 PolarHBondContact O-N 3.39Å; L167-V171 WeakPolarHBondContact O-CG2 3.28Å; L167-V171 PolarHBondContact O-N 3.34Å; L167-V171 VanDerWaalsContact O-N 3.14Å
168	I	34.5	Very low	34.7	Very low	86 Å²	86	99.2 Å²	99.2	44%	0.441	49%	0.491	S	S	.	.	H	α-helix	trans	-60.4	-46.7	175	-72.5	175.8	0	0	0	110.2	T164 L170 V171 F172	T164-I168 HydrophobicContact CG2-CD1 3.7Å; T164-I168 HydrophobicContact CG2-CG1 4.45Å; T164-I168 WeakPolarHBondContact O-CB 3.39Å; T164-I168 VanDerWaalsContact O-CG1 3.22Å; T164-I168 WeakPolarHBondContact O-CG1 3.48Å; T164-I168 PolarHBondContact O-N 3.22Å; I168-L170 VanDerWaalsContact C-N 3.34Å; I168-L170 PolarHBondContact O-N 2.83Å; I168-V171 PolarHBondContact O-N 3.28Å; I168-F172 HydrophobicContact CG2-CD2 3.53Å; I168-F172 HydrophobicContact CG2-CE2 3.65Å; I168-F172 VanDerWaalsContact O-CD2 3.23Å; I168-F172 WeakPolarHBondContact O-CD2 3.49Å; I168-F172 PolarHBondContact O-N 3.2Å
169	T	35.5	Very low	34.7	Very low	59 Å²	59	102.7 Å²	102.7	36%	0.362	50%	0.5	S	S	.	.	H	α-helix	trans	-64.4	-37	-180	-60.8	0	0	0	0	112.1	S165 R166 F172 R173	S165-T169 WeakPolarHBondContact O-CB 3.3Å; S165-T169 PolarHBondContact O-N 3.32Å; S165-T169 PolarHBondContact O-OG1 2.89Å; R166-T169 PolarHBondContact O-N 3.45Å; T169-F172 PolarHBondContact O-N 3.41Å; T169-R173 HydrophobicContact CG2-CG 4.35Å; T169-R173 VanDerWaalsContact O-CB 3.26Å; T169-R173 WeakPolarHBondContact O-CB 3.32Å; T169-R173 WeakPolarHBondContact O-CG 3.19Å; T169-R173 PolarHBondContact O-N 3.02Å
170	L	37.2	Very low	34.3	Very low	114 Å²	114	101.7 Å²	101.7	60%	0.597	50%	0.495	S	S	*	.	H	α-helix	trans	-63.9	-46.7	176	-93.6	156.9	0	0	0	111.6	R166 L167 I168 R173 K174	R166-L170 WeakPolarHBondContact O-CB 3.17Å; R166-L170 PolarHBondContact O-N 3.04Å; L167-L170 PolarHBondContact O-N 3.39Å; I168-L170 VanDerWaalsContact C-N 3.34Å; I168-L170 PolarHBondContact O-N 2.83Å; L170-R173 PolarHBondContact O-N 3.14Å; L170-K174 WeakPolarHBondContact O-CB 3.33Å; L170-K174 PolarHBondContact O-N 3.3Å
171	V	36.8	Very low	34.3	Very low	93 Å²	93	104.3 Å²	104.3	56%	0.564	50%	0.501	S	S	*	.	H	α-helix	trans	-62.5	-46.1	176.6	174.1	0	0	0	0	110.6	L167 I168 K174 Y175	L167-V171 WeakPolarHBondContact O-CG2 3.28Å; L167-V171 PolarHBondContact O-N 3.34Å; L167-V171 VanDerWaalsContact O-N 3.14Å; I168-V171 PolarHBondContact O-N 3.28Å; V171-K174 PolarHBondContact O-N 3.43Å; V171-Y175 PolarHBondContact O-N 2.88Å
172	F	32	Very low	34.2	Very low	132 Å²	132	102.4 Å²	102.4	58%	0.579	49%	0.49	S	S	*	.	H	α-helix	trans	-68.9	-38.5	179.1	-82.6	-67	0	0	0	113.2	I168 T169 K174 Y175 D176	I168-F172 HydrophobicContact CG2-CD2 3.53Å; I168-F172 HydrophobicContact CG2-CE2 3.65Å; I168-F172 VanDerWaalsContact O-CD2 3.23Å; I168-F172 WeakPolarHBondContact O-CD2 3.49Å; I168-F172 PolarHBondContact O-N 3.2Å; T169-F172 PolarHBondContact O-N 3.41Å; F172-K174 VanDerWaalsContact C-N 3.3Å; F172-K174 PolarHBondContact O-N 3.43Å; F172-Y175 PolarHBondContact O-N 2.91Å; F172-D176 WeakPolarHBondContact O-CB 3.39Å; F172-D176 PolarHBondContact O-N 3.42Å
173	R	36.6	Very low	34	Very low	176 Å²	176	105.1 Å²	105.1	66%	0.664	50%	0.5	S	S	*	.	H	α-helix	trans	-61.6	-40.1	172.8	-88.2	-177.6	171.4	175.2	-1.8	111.2	T169 L170 D176 I177	T169-R173 HydrophobicContact CG2-CG 4.35Å; T169-R173 VanDerWaalsContact O-CB 3.26Å; T169-R173 WeakPolarHBondContact O-CB 3.32Å; T169-R173 WeakPolarHBondContact O-CG 3.19Å; T169-R173 PolarHBondContact O-N 3.02Å; L170-R173 PolarHBondContact O-N 3.14Å; R173-D176 PolarHBondContact O-N 2.67Å; R173-I177 WeakPolarHBondContact O-CB 3.41Å; R173-I177 WeakPolarHBondContact O-CD1 3.46Å; R173-I177 WeakPolarHBondContact O-CG1 3.41Å; R173-I177 PolarHBondContact O-N 3.18Å
174	K	36.3	Very low	33.8	Very low	82 Å²	82	110.2 Å²	110.2	36%	0.357	52%	0.522	S	S	.	.	H	α-helix	trans	-66.9	-41.8	177.8	-154.1	168.3	-169.4	166	0	111.2	L170 V171 F172 I177 V178	L170-K174 WeakPolarHBondContact O-CB 3.33Å; L170-K174 PolarHBondContact O-N 3.3Å; V171-K174 PolarHBondContact O-N 3.43Å; F172-K174 VanDerWaalsContact C-N 3.3Å; F172-K174 PolarHBondContact O-N 3.43Å; K174-I177 PolarHBondContact O-N 3.1Å; K174-V178 WeakPolarHBondContact O-CG2 3.41Å; K174-V178 PolarHBondContact O-N 2.93Å; K174-V178 VanDerWaalsContact O-N 3.13Å
175	Y	32.3	Very low	33.6	Very low	151 Å²	151	114 Å²	114	59%	0.592	54%	0.54	S	S	*	.	H	α-helix	trans	-61.6	-42.8	172.8	-172.3	-94.2	0	0	0	112.5	V171 F172 V178 K179	V171-Y175 PolarHBondContact O-N 2.88Å; F172-Y175 PolarHBondContact O-N 2.91Å; Y175-V178 PolarHBondContact O-N 3.29Å; Y175-K179 HydrophobicContact CE1-CD 4.21Å; Y175-K179 VanDerWaalsContact O-CB 3.26Å; Y175-K179 WeakPolarHBondContact O-CB 3.36Å; Y175-K179 PolarHBondContact O-N 3.35Å
176	D	36	Very low	33.4	Very low	76 Å²	76	117 Å²	117	41%	0.406	58%	0.581	S	S	.	*	H	α-helix	trans	-69.7	-34.4	179.3	-103.5	3.2	0	0	0	113	F172 R173 K179 K180	F172-D176 WeakPolarHBondContact O-CB 3.39Å; F172-D176 PolarHBondContact O-N 3.42Å; R173-D176 PolarHBondContact O-N 2.67Å; D176-K179 PolarHBondContact O-N 3.11Å; D176-K180 WeakPolarHBondContact O-CB 3.43Å; D176-K180 WeakPolarHBondContact O-CG 3.32Å; D176-K180 PolarHBondContact O-N 3.25Å
177	I	34.6	Very low	33.3	Very low	117 Å²	117	115.6 Å²	115.6	60%	0.6	58%	0.583	S	S	*	*	H	α-helix	trans	-62.3	-48.1	172.4	-70.6	163.5	0	0	0	109.7	R173 K174 K179 K180 Y181	R173-I177 WeakPolarHBondContact O-CB 3.41Å; R173-I177 WeakPolarHBondContact O-CD1 3.46Å; R173-I177 WeakPolarHBondContact O-CG1 3.41Å; R173-I177 PolarHBondContact O-N 3.18Å; K174-I177 PolarHBondContact O-N 3.1Å; I177-K179 VanDerWaalsContact C-N 3.33Å; I177-K179 PolarHBondContact O-N 2.74Å; I177-K180 PolarHBondContact O-N 2.96Å; I177-Y181 WeakPolarHBondContact O-CB 3.46Å; I177-Y181 PolarHBondContact O-N 3.14Å
178	V	35.1	Very low	33.1	Very low	85 Å²	85	119 Å²	119	52%	0.515	60%	0.6	S	S	.	*	H	α-helix	trans	-61.7	-41.3	176.6	173.9	0	0	0	0	111.4	K174 Y175 N182	K174-V178 WeakPolarHBondContact O-CG2 3.41Å; K174-V178 PolarHBondContact O-N 2.93Å; K174-V178 VanDerWaalsContact O-N 3.13Å; Y175-V178 PolarHBondContact O-N 3.29Å; V178-N182 PolarHBondContact O-N 3.43Å; V178-N182 PolarHBondContact O-ND2 2.77Å; V178-N182 VanDerWaalsContact O-ND2 3.1Å
179	K	31.4	Very low	33	Very low	124 Å²	124	120.8 Å²	120.8	54%	0.539	61%	0.608	S	S	.	*	H	α-helix	trans	-67.1	-40.3	178.1	-174	-178.7	176.1	-176.6	0	112.8	Y175 D176 I177 K183	Y175-K179 HydrophobicContact CE1-CD 4.21Å; Y175-K179 VanDerWaalsContact O-CB 3.26Å; Y175-K179 WeakPolarHBondContact O-CB 3.36Å; Y175-K179 PolarHBondContact O-N 3.35Å; D176-K179 PolarHBondContact O-N 3.11Å; I177-K179 VanDerWaalsContact C-N 3.33Å; I177-K179 PolarHBondContact O-N 2.74Å; K179-K183 PolarHBondContact O-N 2.79Å
180	K	32.9	Very low	32.9	Very low	140 Å²	140	124.5 Å²	124.5	61%	0.609	62%	0.623	S	S	*	*	H	α-helix	trans	-73	-35.9	177.5	-79.8	-178	178.6	177.3	0	112.2	D176 I177 N182 K183	D176-K180 WeakPolarHBondContact O-CB 3.43Å; D176-K180 WeakPolarHBondContact O-CG 3.32Å; D176-K180 PolarHBondContact O-N 3.25Å; I177-K180 PolarHBondContact O-N 2.96Å; K180-N182 VanDerWaalsContact C-N 3.33Å; K180-N182 PolarHBondContact O-N 3.41Å; K180-K183 WeakPolarHBondContact O-CB 3.33Å; K180-K183 PolarHBondContact O-N 2.88Å; K180-K183 VanDerWaalsContact O-N 3.07Å
181	Y	32.5	Very low	32.6	Very low	131 Å²	131	125.1 Å²	125.1	51%	0.514	63%	0.625	S	S	.	*	H	α-helix	trans	-63.2	-41.3	176.1	-159.6	-93.7	0	0	0	111.5	I177 K183 H184 L185	I177-Y181 WeakPolarHBondContact O-CB 3.46Å; I177-Y181 PolarHBondContact O-N 3.14Å; Y181-K183 PolarHBondContact O-N 2.71Å; Y181-H184 PolarHBondContact O-N 3.32Å; Y181-L185 HydrophobicContact CD1-CD1 4.44Å; Y181-L185 HydrophobicContact CE1-CD1 4.38Å
182	N	32.5	Very low	32.3	Very low	103 Å²	103	127.3 Å²	127.3	55%	0.551	63%	0.629	S	S	*	*	H	α-helix	trans	-62.5	-22.8	173.1	-76.6	-37.2	0	0	0	114.1	V178 K180 H184	V178-N182 PolarHBondContact O-N 3.43Å; V178-N182 PolarHBondContact O-ND2 2.77Å; V178-N182 VanDerWaalsContact O-ND2 3.1Å; K180-N182 VanDerWaalsContact C-N 3.33Å; K180-N182 PolarHBondContact O-N 3.41Å; N182-H184 VanDerWaalsContact C-N 3.27Å
183	K	28.5	Very low	32.4	Very low	171 Å²	171	126.9 Å²	126.9	74%	0.743	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	-15.4	173.3	-106.7	-170.4	176.5	-171.3	0	113.3	K179 K180 Y181	K179-K183 PolarHBondContact O-N 2.79Å; K180-K183 WeakPolarHBondContact O-CB 3.33Å; K180-K183 PolarHBondContact O-N 2.88Å; K180-K183 VanDerWaalsContact O-N 3.07Å; Y181-K183 PolarHBondContact O-N 2.71Å
184	H	29.2	Very low	32	Very low	161 Å²	161	123.2 Å²	123.2	75%	0.745	63%	0.63	S	S	*	*	S	Bend	trans	-102.2	-2.1	-179.9	-70.2	-28.3	0	0	0	114	Y181 N182	Y181-H184 PolarHBondContact O-N 3.32Å; N182-H184 VanDerWaalsContact C-N 3.27Å
185	L	27.9	Very low	31.7	Very low	131 Å²	131	126.6 Å²	126.6	69%	0.686	65%	0.653	S	S	*	*			trans	-94.6	-0.7	166.3	-65.7	173.9	0	0	0	112.5	Y181	Y181-L185 HydrophobicContact CD1-CD1 4.44Å; Y181-L185 HydrophobicContact CE1-CD1 4.38Å
186	G	27.5	Very low	31.6	Very low	129 Å²	129	124.4 Å²	124.4	100%	1.33	66%	0.658	S	S	*	*			trans	-87	0	164.2	0	0	0	0	0	111.3

Retrieved 186 of 186 residues in 124.4 ms (Link to these results)

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