A0A087YF61_POEFO Loading...

Interleukin family protein

Immune regulatory cytokine.

AlphaFold DB , UniProt , Accession A0A087YF61, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 181 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	53.2	Low	63.5	Low	215 Å²	215	111.1 Å²	111.1	100%	1.059	60%	0.604	S	S	*	*				0	123.7	0	-78	153.3	69.4	0	0	107.8	P3	M1-P3 WeakPolarHBondContact O-CD 3.46Å
2	N	63.2	Low	63.1	Low	100 Å²	100	109.5 Å²	109.5	54%	0.535	59%	0.594	S	S	.	*			trans	-81.2	116.9	-169.5	-160.8	-9.1	0	0	0	109.9	Q4 L5	N2-Q4 PolarHBondContact O-N 3Å; N2-Q4 VanDerWaalsContact O-N 3.15Å; N2-L5 HydrophobicContact CB-CB 4.48Å; N2-L5 WeakPolarHBondContact O-CB 3.41Å; N2-L5 PolarHBondContact O-N 3.15Å
3	P	63.5	Low	62.8	Low	95 Å²	95	106.4 Å²	106.4	62%	0.617	59%	0.585	S	S	*	*	H	α-helix	trans	-61.6	-25.2	-172.3	21.3	-32.5	0	0	0	113.7	M1 L6 S7	M1-P3 WeakPolarHBondContact O-CD 3.46Å; P3-L6 PolarHBondContact O-N 3.14Å; P3-S7 PolarHBondContact O-N 3.49Å
4	Q	64.9	Low	62.3	Low	152 Å²	152	103.4 Å²	103.4	71%	0.71	58%	0.576	S	S	*	*	H	α-helix	trans	-70.3	-32.6	174.7	-64.9	-155.7	-2.7	0	0	113.1	N2 L6 S7 V8	N2-Q4 PolarHBondContact O-N 3Å; N2-Q4 VanDerWaalsContact O-N 3.15Å; Q4-L6 VanDerWaalsContact C-N 3.32Å; Q4-L6 PolarHBondContact O-N 3.4Å; Q4-S7 PolarHBondContact O-N 3.46Å; Q4-V8 WeakPolarHBondContact O-CG2 3.44Å; Q4-V8 PolarHBondContact O-N 2.89Å; Q4-V8 VanDerWaalsContact O-N 3.14Å
5	L	65	Low	61.8	Low	113 Å²	113	102.9 Å²	102.9	59%	0.592	58%	0.576	S	S	*	*	H	α-helix	trans	-66.2	-38.6	176.1	-121.9	93	0	0	0	111.2	N2 V8 L9	N2-L5 HydrophobicContact CB-CB 4.48Å; N2-L5 WeakPolarHBondContact O-CB 3.41Å; N2-L5 PolarHBondContact O-N 3.15Å; L5-V8 PolarHBondContact O-N 3.41Å; L5-L9 WeakPolarHBondContact O-CB 3.36Å; L5-L9 WeakPolarHBondContact O-CD1 3.44Å; L5-L9 PolarHBondContact O-N 3.48Å
6	L	64.9	Low	61	Low	90 Å²	90	105.8 Å²	105.8	47%	0.471	58%	0.581	S	S	.	*	H	α-helix	trans	-66.1	-40.7	177.4	-81.1	156.6	0	0	0	111.7	P3 Q4 L9 V10	P3-L6 PolarHBondContact O-N 3.14Å; Q4-L6 VanDerWaalsContact C-N 3.32Å; Q4-L6 PolarHBondContact O-N 3.4Å; L6-L9 PolarHBondContact O-N 3.45Å; L6-V10 WeakPolarHBondContact O-CB 3.42Å; L6-V10 VanDerWaalsContact O-CG2 3.25Å; L6-V10 WeakPolarHBondContact O-CG2 3.35Å; L6-V10 PolarHBondContact O-N 3.22Å
7	S	65.1	Low	60.4	Low	69 Å²	69	105.6 Å²	105.6	48%	0.483	59%	0.589	S	S	.	*	H	α-helix	trans	-64.5	-41.4	177.1	-176.7	0	0	0	0	112.2	P3 Q4 V10 L11	P3-S7 PolarHBondContact O-N 3.49Å; Q4-S7 PolarHBondContact O-N 3.46Å; S7-V10 PolarHBondContact O-N 3.01Å; S7-L11 WeakPolarHBondContact O-CB 3.48Å; S7-L11 WeakPolarHBondContact O-CD1 3.47Å; S7-L11 WeakPolarHBondContact O-CG 3.34Å; S7-L11 PolarHBondContact O-N 3.4Å
8	V	68.7	Low	59.9	Low	83 Å²	83	104.4 Å²	104.4	50%	0.503	60%	0.595	S	S	.	*	H	α-helix	trans	-67.6	-39.6	176.7	174.2	0	0	0	0	111.6	Q4 L5 L11 L12	Q4-V8 WeakPolarHBondContact O-CG2 3.44Å; Q4-V8 PolarHBondContact O-N 2.89Å; Q4-V8 VanDerWaalsContact O-N 3.14Å; L5-V8 PolarHBondContact O-N 3.41Å; V8-L11 PolarHBondContact O-N 2.99Å; V8-L12 HydrophobicContact CG1-CD1 3.73Å; V8-L12 WeakPolarHBondContact O-CB 3.45Å; V8-L12 WeakPolarHBondContact O-CD1 3.43Å; V8-L12 WeakPolarHBondContact O-CG 3.31Å; V8-L12 PolarHBondContact O-N 3Å
9	L	65.9	Low	59.1	Low	107 Å²	107	104.5 Å²	104.5	56%	0.56	60%	0.601	S	S	*	*	H	α-helix	trans	-65.1	-39.2	175.9	-88.6	154	0	0	0	112.9	L5 L6 L12 S13	L5-L9 WeakPolarHBondContact O-CB 3.36Å; L5-L9 WeakPolarHBondContact O-CD1 3.44Å; L5-L9 PolarHBondContact O-N 3.48Å; L6-L9 PolarHBondContact O-N 3.45Å; L9-L12 PolarHBondContact O-N 3.35Å; L9-S13 WeakPolarHBondContact O-CB 3.4Å; L9-S13 PolarHBondContact O-N 3.46Å; L9-S13 PolarHBondContact O-OG 2.91Å; L9-S13 VanDerWaalsContact O-OG 3.12Å
10	V	64	Low	58.5	Low	93 Å²	93	103.9 Å²	103.9	56%	0.564	60%	0.602	S	S	*	*	H	α-helix	trans	-70.3	-36.8	176.5	171.5	0	0	0	0	111.6	L6 S7 S13 S14	L6-V10 WeakPolarHBondContact O-CB 3.42Å; L6-V10 VanDerWaalsContact O-CG2 3.25Å; L6-V10 WeakPolarHBondContact O-CG2 3.35Å; L6-V10 PolarHBondContact O-N 3.22Å; S7-V10 PolarHBondContact O-N 3.01Å; V10-S13 WeakPolarHBondContact CA-OG 3.47Å; V10-S13 PolarHBondContact O-OG 3.07Å; V10-S13 VanDerWaalsContact O-OG 3.04Å; V10-S14 WeakPolarHBondContact O-CB 3.25Å; V10-S14 PolarHBondContact O-N 2.79Å; V10-S14 VanDerWaalsContact O-N 3.12Å; V10-S14 PolarHBondContact O-OG 3.38Å
11	L	59.6	Low	58.5	Low	105 Å²	105	103.7 Å²	103.7	55%	0.55	61%	0.607	S	S	.	*	H	α-helix	trans	-66.5	-45.7	173.1	-75.5	163.5	0	0	0	110.7	S7 V8 S13 S14 V15	S7-L11 WeakPolarHBondContact O-CB 3.48Å; S7-L11 WeakPolarHBondContact O-CD1 3.47Å; S7-L11 WeakPolarHBondContact O-CG 3.34Å; S7-L11 PolarHBondContact O-N 3.4Å; V8-L11 PolarHBondContact O-N 2.99Å; L11-S13 PolarHBondContact O-N 2.95Å; L11-S14 WeakPolarHBondContact CA-OG 3.5Å; L11-S14 PolarHBondContact O-N 3.23Å; L11-S14 PolarHBondContact O-OG 3.12Å; L11-V15 WeakPolarHBondContact O-CG2 3.46Å; L11-V15 PolarHBondContact O-N 3.45Å; L11-V15 VanDerWaalsContact O-N 3.07Å
12	L	59.1	Low	58.7	Low	92 Å²	92	99.2 Å²	99.2	48%	0.482	59%	0.594	S	S	.	*	H	α-helix	trans	-61.9	-43.6	177.2	-78	159.4	0	0	0	112	V8 L9 S14 V15 F16	V8-L12 HydrophobicContact CG1-CD1 3.73Å; V8-L12 WeakPolarHBondContact O-CB 3.45Å; V8-L12 WeakPolarHBondContact O-CD1 3.43Å; V8-L12 WeakPolarHBondContact O-CG 3.31Å; V8-L12 PolarHBondContact O-N 3Å; L9-L12 PolarHBondContact O-N 3.35Å; L12-S14 PolarHBondContact O-N 3.12Å; L12-V15 PolarHBondContact O-N 3.04Å; L12-F16 VanDerWaalsContact O-CD2 3.31Å; L12-F16 WeakPolarHBondContact O-CD2 2.95Å; L12-F16 PolarHBondContact O-N 3.12Å; L12-F16 VanDerWaalsContact O-N 3.12Å
13	S	58.6	Low	58.6	Low	69 Å²	69	101 Å²	101	48%	0.483	61%	0.608	S	S	.	*	H	α-helix	trans	-66.6	-35.1	179.3	59.5	0	0	0	0	113.1	L9 V10 L11 S17	L9-S13 WeakPolarHBondContact O-CB 3.4Å; L9-S13 PolarHBondContact O-N 3.46Å; L9-S13 PolarHBondContact O-OG 2.91Å; L9-S13 VanDerWaalsContact O-OG 3.12Å; V10-S13 WeakPolarHBondContact CA-OG 3.47Å; V10-S13 PolarHBondContact O-OG 3.07Å; V10-S13 VanDerWaalsContact O-OG 3.04Å; L11-S13 PolarHBondContact O-N 2.95Å; S13-S17 PolarHBondContact O-N 3.49Å
14	S	56.2	Low	58.7	Low	65 Å²	65	98 Å²	98	46%	0.455	59%	0.589	S	S	.	*	H	α-helix	trans	-72	-34	176.3	49.5	0	0	0	0	113.2	V10 L11 L12 A18	V10-S14 WeakPolarHBondContact O-CB 3.25Å; V10-S14 PolarHBondContact O-N 2.79Å; V10-S14 VanDerWaalsContact O-N 3.12Å; V10-S14 PolarHBondContact O-OG 3.38Å; L11-S14 WeakPolarHBondContact CA-OG 3.5Å; L11-S14 PolarHBondContact O-N 3.23Å; L11-S14 PolarHBondContact O-OG 3.12Å; L12-S14 PolarHBondContact O-N 3.12Å; S14-A18 PolarHBondContact O-N 3.37Å
15	V	54.7	Low	58.9	Low	96 Å²	96	98.9 Å²	98.9	58%	0.582	59%	0.593	S	S	*	*	H	α-helix	trans	-71.4	-37	176	-164.6	0	0	0	0	111.3	L11 L12 A18 C19	L11-V15 WeakPolarHBondContact O-CG2 3.46Å; L11-V15 PolarHBondContact O-N 3.45Å; L11-V15 VanDerWaalsContact O-N 3.07Å; L12-V15 PolarHBondContact O-N 3.04Å; V15-A18 PolarHBondContact O-N 3.28Å; V15-C19 PolarHBondContact O-N 3.3Å
16	F	49.5	Very low	59.8	Low	149 Å²	149	97.4 Å²	97.4	65%	0.654	59%	0.585	S	S	*	*	H	α-helix	trans	-67.5	-37.7	176.9	-93.1	-80.6	0	0	0	113.1	L12 A18	L12-F16 VanDerWaalsContact O-CD2 3.31Å; L12-F16 WeakPolarHBondContact O-CD2 2.95Å; L12-F16 PolarHBondContact O-N 3.12Å; L12-F16 VanDerWaalsContact O-N 3.12Å; F16-A18 VanDerWaalsContact C-N 3.33Å
17	S	50.2	Low	60.9	Low	102 Å²	102	97.5 Å²	97.5	71%	0.713	58%	0.584	S	S	*	*	H	α-helix	trans	-70.7	-26.5	175.4	-75.5	0	0	0	0	113.7	S13	S13-S17 PolarHBondContact O-N 3.49Å
18	A	51.3	Low	62	Low	84 Å²	84	94.8 Å²	94.8	69%	0.694	56%	0.564	S	S	*	*	H	α-helix	trans	-81.4	-21.7	178.3	0	0	0	0	0	113.6	S14 V15 F16	S14-A18 PolarHBondContact O-N 3.37Å; V15-A18 PolarHBondContact O-N 3.28Å; F16-A18 VanDerWaalsContact C-N 3.33Å
19	C	45.5	Very low	62.8	Low	106 Å²	106	92.5 Å²	92.5	72%	0.716	55%	0.552	S	S	*	*	H	α-helix	trans	-90	-17.7	-173.4	-159.7	0	0	0	0	114.2	V15	V15-C19 PolarHBondContact O-N 3.3Å
20	C	47.1	Very low	63.7	Low	93 Å²	93	93.1 Å²	93.1	63%	0.628	55%	0.547	S	S	*	.			trans	-114.7	78.7	-175.9	-64	0	0	0	0	110.1
21	S	57.4	Low	64.9	Low	99 Å²	99	88.9 Å²	88.9	69%	0.692	52%	0.52	S	S	*	.			trans	-56.7	132.4	155.7	-57.6	0	0	0	0	107.4	V23	S21-V23 PolarHBondContact O-N 3.03Å
22	P	57.9	Low	66.2	Low	122 Å²	122	84.1 Å²	84.1	79%	0.792	50%	0.496	S	S	*	.			trans	-54.7	120.2	-179.9	20.2	-30	0	0	0	108.7	C24	P22-C24 PolarHBondContact O-N 3.16Å
23	V	60.8	Low	67.4	Low	138 Å²	138	83.2 Å²	83.2	84%	0.836	49%	0.489	S	S	*	.			trans	-61.6	114.9	179.2	177	0	0	0	0	107.4	S21 H25	S21-V23 PolarHBondContact O-N 3.03Å; V23-H25 PolarHBondContact O-N 3.02Å; V23-H25 VanDerWaalsContact O-N 3.16Å
24	C	65.9	Low	68.8	Low	30 Å²	30	84.6 Å²	84.6	20%	0.203	49%	0.488	C	S	.	.			trans	-70.9	107.1	-175.5	176.7	0	0	0	0	111.1	P22 C29 R30 E33	P22-C24 PolarHBondContact O-N 3.16Å; C24-C29 HydrophobicContact CB-CB 4.32Å; C24-C29 WeakPolarHBondContact CB-SG 2.98Å; C24-C29 WeakPolarHBondContact SG-CA 3.48Å; C24-C29 WeakPolarHBondContact SG-CB 3.35Å; C24-C29 CovalentContact SG-SG 2Å; C24-C29 PolarHBondContact SG-SG 2.65Å; C24-R30 WeakPolarHBondContact O-CG 3.48Å; C24-R30 PolarHBondContact SG-N 3.48Å; C24-E33 HydrophobicContact CB-CG 4.5Å
25	H	69.8	Low	70.3	Confident	171 Å²	171	81.7 Å²	81.7	79%	0.792	47%	0.467	S	S	*	.			trans	-99	-23	-174.1	-159.9	-67.2	0	0	0	113.7	V23	V23-H25 PolarHBondContact O-N 3.02Å; V23-H25 VanDerWaalsContact O-N 3.16Å
26	D	84.4	Confident	72.1	Confident	82 Å²	82	79.9 Å²	79.9	44%	0.439	46%	0.457	S	S	.	.	S	Bend	trans	-76.9	146.9	176.8	148.4	63.6	0	0	0	111.4	C28 C29 R30	D26-C28 VanDerWaalsContact C-N 3.29Å; D26-C28 VanDerWaalsContact CG-N 3.28Å; D26-C28 PolarHBondContact O-N 2.73Å; D26-C28 PolarHBondContact OD1-N 2.9Å; D26-C28 WeakPolarHBondContact OD2-CA 3.36Å; D26-C28 VanDerWaalsContact OD2-CB 3.27Å; D26-C28 WeakPolarHBondContact OD2-CB 3.38Å; D26-C28 PolarHBondContact OD2-N 2.86Å; D26-C28 VanDerWaalsContact OD2-N 3.14Å; D26-C29 HydrophobicContact CB-CB 4.44Å; D26-C29 WeakPolarHBondContact OD2-CB 3.27Å; D26-C29 PolarHBondContact OD2-N 3.21Å; D26-R30 WeakPolarHBondContact O-CG 3.5Å; D26-R30 PolarHBondContact O-N 3.41Å
27	Q	86.8	Confident	74.3	Confident	93 Å²	93	77.6 Å²	77.6	44%	0.435	46%	0.455	S	S	.	.	H	α-helix	trans	-63.2	-34.4	179.2	-174.4	168.5	27.9	0	0	112.4	R30 F31 R126	Q27-R30 PolarHBondContact O-N 3.05Å; Q27-F31 WeakPolarHBondContact O-CB 2.79Å; Q27-F31 PolarHBondContact O-N 3.32Å; Q27-R126 VanDerWaalsContact OE1-CD 3.27Å
28	C	88.5	Confident	76.4	Confident	11 Å²	11	74.9 Å²	74.9	7%	0.074	43%	0.429	C	S	.	.	H	α-helix	trans	-76.2	-36.1	-178.4	-66.9	0	0	0	0	113.6	D26 F31 V32 C127 V130	D26-C28 VanDerWaalsContact C-N 3.29Å; D26-C28 VanDerWaalsContact CG-N 3.28Å; D26-C28 PolarHBondContact O-N 2.73Å; D26-C28 PolarHBondContact OD1-N 2.9Å; D26-C28 WeakPolarHBondContact OD2-CA 3.36Å; D26-C28 VanDerWaalsContact OD2-CB 3.27Å; D26-C28 WeakPolarHBondContact OD2-CB 3.38Å; D26-C28 PolarHBondContact OD2-N 2.86Å; D26-C28 VanDerWaalsContact OD2-N 3.14Å; C28-F31 WeakPolarHBondContact O-CB 3.29Å; C28-V32 WeakPolarHBondContact O-CG2 3.42Å; C28-V32 PolarHBondContact O-N 3.42Å; C28-C127 WeakPolarHBondContact CA-SG 3.5Å; C28-C127 HydrophobicContact CB-CB 3.56Å; C28-C127 WeakPolarHBondContact CB-SG 3.49Å; C28-C127 WeakPolarHBondContact SG-CA 3.41Å; C28-C127 WeakPolarHBondContact SG-CB 3.35Å; C28-C127 CovalentContact SG-SG 2.02Å; C28-C127 PolarHBondContact SG-SG 3.32Å; C28-V130 HydrophobicContact CB-CB 4.39Å; C28-V130 HydrophobicContact CB-CG2 3.69Å
29	C	84.8	Confident	78.5	Confident	36 Å²	36	71 Å²	71	24%	0.243	40%	0.397	C	S	.	.	H	α-helix	trans	-67.4	-41.2	171	164.5	0	0	0	0	110.5	C24 D26 F31 V32 E33	C24-C29 HydrophobicContact CB-CB 4.32Å; C24-C29 WeakPolarHBondContact CB-SG 2.98Å; C24-C29 WeakPolarHBondContact SG-CA 3.48Å; C24-C29 WeakPolarHBondContact SG-CB 3.35Å; C24-C29 CovalentContact SG-SG 2Å; C24-C29 PolarHBondContact SG-SG 2.65Å; D26-C29 HydrophobicContact CB-CB 4.44Å; D26-C29 WeakPolarHBondContact OD2-CB 3.27Å; D26-C29 PolarHBondContact OD2-N 3.21Å; C29-F31 VanDerWaalsContact C-N 3.31Å; C29-F31 PolarHBondContact O-N 3.38Å; C29-V32 PolarHBondContact O-N 3.01Å; C29-V32 VanDerWaalsContact O-N 3.11Å; C29-E33 PolarHBondContact O-N 3.11Å
30	R	86.5	Confident	81	Confident	120 Å²	120	71.2 Å²	71.2	45%	0.453	39%	0.388	S	S	.	.	H	α-helix	trans	-62.5	-41	176.8	-80	-173.3	-72	175.8	-3.3	111.4	C24 D26 Q27 V32 E33 E34	C24-R30 WeakPolarHBondContact O-CG 3.48Å; C24-R30 PolarHBondContact SG-N 3.48Å; D26-R30 WeakPolarHBondContact O-CG 3.5Å; D26-R30 PolarHBondContact O-N 3.41Å; Q27-R30 PolarHBondContact O-N 3.05Å; R30-V32 VanDerWaalsContact C-N 3.32Å; R30-V32 PolarHBondContact O-N 2Å; R30-E33 PolarHBondContact O-N 3.49Å; R30-E34 WeakPolarHBondContact O-CB 3.44Å; R30-E34 WeakPolarHBondContact O-CG 3.46Å; R30-E34 PolarHBondContact O-N 3.05Å
31	F	88.4	Confident	83.4	Confident	3 Å²	3	72.2 Å²	72.2	1%	0.013	38%	0.378	C	S	.	.	H	α-helix	trans	-52.7	-48.9	171.8	162.4	-124.5	0	0	0	112.1	Q27 C28 C29 E33 F35 L120 D123 V124 F131 L172	Q27-F31 WeakPolarHBondContact O-CB 2.79Å; Q27-F31 PolarHBondContact O-N 3.32Å; C28-F31 WeakPolarHBondContact O-CB 3.29Å; C29-F31 VanDerWaalsContact C-N 3.31Å; C29-F31 PolarHBondContact O-N 3.38Å; F31-E33 PolarHBondContact O-N 2.76Å; F31-F35 HydrophobicContact CE2-CD2 4.05Å; F31-F35 WeakPolarHBondContact O-CB 3.4Å; F31-F35 PolarHBondContact O-N 3.01Å; F31-F35 VanDerWaalsContact O-N 3.08Å; F31-L120 HydrophobicContact CE2-CD1 3.6Å; F31-L120 HydrophobicContact CZ-CD1 3.41Å; F31-L120 VanDerWaalsContact CZ-CD1 3.41Å; F31-D123 HydrophobicContact CB-CB 4.3Å; F31-D123 HydrophobicContact CD1-CB 3.89Å; F31-D123 HydrophobicContact CD2-CB 3.52Å; F31-D123 WeakPolarHBondContact CD2-OD2 3.5Å; F31-D123 HydrophobicContact CE1-CB 4.05Å; F31-D123 HydrophobicContact CE2-CB 3.77Å; F31-D123 HydrophobicContact CG-CB 3.62Å; F31-D123 HydrophobicContact CZ-CB 4.05Å; F31-V124 HydrophobicContact CE1-CG2 4.3Å; F31-V124 HydrophobicContact CZ-CG2 4.16Å; F31-F131 AromaticContact CD1-CE2 3.68Å; F31-F131 HydrophobicContact CD1-CE2 3.68Å; F31-F131 AromaticContact CD1-CZ 3.59Å; F31-F131 HydrophobicContact CD1-CZ 3.59Å; F31-F131 HydrophobicContact CE1-CE1 4.34Å; F31-F131 AromaticContact CE1-CE2 3.34Å; F31-F131 HydrophobicContact CE1-CE2 3.34Å; F31-F131 AromaticContact CE1-CZ 3.19Å; F31-F131 HydrophobicContact CE1-CZ 3.19Å; F31-F131 HydrophobicContact CZ-CZ 4.32Å; F31-L172 HydrophobicContact CE1-CD2 4.11Å; F31-L172 HydrophobicContact CE2-CD1 4.41Å; F31-L172 HydrophobicContact CZ-CD1 3.8Å; F31-L172 HydrophobicContact CZ-CD2 4.08Å
32	V	85.8	Confident	85.3	Confident	6 Å²	6	67.5 Å²	67.5	4%	0.036	35%	0.345	C	S	.	.	H	α-helix	trans	-65.6	-37.3	-179.9	174.5	0	0	0	0	112.1	C28 C29 R30 F131 R176	C28-V32 WeakPolarHBondContact O-CG2 3.42Å; C28-V32 PolarHBondContact O-N 3.42Å; C29-V32 PolarHBondContact O-N 3.01Å; C29-V32 VanDerWaalsContact O-N 3.11Å; R30-V32 VanDerWaalsContact C-N 3.32Å; R30-V32 PolarHBondContact O-N 2Å; V32-F131 HydrophobicContact CG2-CE1 4.12Å; V32-F131 HydrophobicContact CG2-CZ 3.74Å; V32-R176 HydrophobicContact CG1-CB 3.56Å; V32-R176 HydrophobicContact CG1-CG 4.06Å
33	E	85.5	Confident	87.2	Confident	73 Å²	73	63.6 Å²	63.6	34%	0.341	32%	0.315	S	S	.	.	H	α-helix	trans	-72.3	-38.6	178.9	-74.3	-66.8	136.7	0	0	113.3	C24 C29 R30 F31 P36 R176	C24-E33 HydrophobicContact CB-CG 4.5Å; C29-E33 PolarHBondContact O-N 3.11Å; R30-E33 PolarHBondContact O-N 3.49Å; F31-E33 PolarHBondContact O-N 2.76Å; E33-P36 VanDerWaalsContact O-CD 3.29Å; E33-P36 WeakPolarHBondContact O-CD 3.22Å; E33-R176 VanDerWaalsContact CD-NE 3.31Å; E33-R176 WeakPolarHBondContact OE1-CG 3.48Å; E33-R176 IonicContact OE1-CZ 2.85Å; E33-R176 IonicContact OE1-NE 3.01Å; E33-R176 PolarHBondContact OE1-NE 3.02Å; E33-R176 IonicContact OE1-NH2 3.48Å; E33-R176 PolarHBondContact OE1-NH2 3.48Å; E33-R176 IonicContact OE2-CZ 3.69Å; E33-R176 IonicContact OE2-NE 2.56Å; E33-R176 PolarHBondContact OE2-NE 3.14Å; E33-R176 IonicContact OE2-NH2 2.65Å; E33-R176 PolarHBondContact OE2-NH2 3.1Å
34	E	87.4	Confident	89	Confident	97 Å²	97	60.1 Å²	60.1	45%	0.453	29%	0.289	S	S	.	.	H	α-helix	trans	-82.6	-16.2	-178.5	-69.6	173	-172.2	0	0	113	R30 V37 R38	R30-E34 WeakPolarHBondContact O-CB 3.44Å; R30-E34 WeakPolarHBondContact O-CG 3.46Å; R30-E34 PolarHBondContact O-N 3.05Å; E34-V37 WeakPolarHBondContact O-CB 3.39Å; E34-V37 PolarHBondContact O-N 2.92Å; E34-V37 VanDerWaalsContact O-N 3.11Å; E34-R38 IonicContact OE2-NH2 2.82Å
35	F	88.6	Confident	90.6	Very high	5 Å²	5	58.8 Å²	58.8	2%	0.022	28%	0.28	C	S	.	.	H	α-helix	trans	-54.4	-39.3	-175.5	-175.7	-105.9	0	0	0	115.3	F31 V37 R38 V39 L120 I168 L172	F31-F35 HydrophobicContact CE2-CD2 4.05Å; F31-F35 WeakPolarHBondContact O-CB 3.4Å; F31-F35 PolarHBondContact O-N 3.01Å; F31-F35 VanDerWaalsContact O-N 3.08Å; F35-V37 PolarHBondContact O-N 3.11Å; F35-R38 HydrophobicContact CD2-CB 4.47Å; F35-R38 WeakPolarHBondContact O-CA 3.45Å; F35-R38 WeakPolarHBondContact O-CB 2.9Å; F35-R38 PolarHBondContact O-N 3.2Å; F35-V39 HydrophobicContact CD1-CG2 3.63Å; F35-V39 HydrophobicContact CD2-CG2 4.49Å; F35-V39 HydrophobicContact CE1-CB 4.4Å; F35-V39 HydrophobicContact CE1-CG2 2.92Å; F35-V39 HydrophobicContact CE2-CG2 3.92Å; F35-V39 HydrophobicContact CG-CG2 4.35Å; F35-V39 HydrophobicContact CZ-CG2 3.06Å; F35-V39 PolarHBondContact O-N 3.38Å; F35-L120 HydrophobicContact CD2-CD1 4.07Å; F35-L120 HydrophobicContact CE2-CD1 3.71Å; F35-L120 HydrophobicContact CE2-CD2 4.09Å; F35-L120 HydrophobicContact CE2-CG 4.48Å; F35-I168 HydrophobicContact CE1-CG2 3.79Å; F35-I168 HydrophobicContact CE2-CG2 3.9Å; F35-I168 HydrophobicContact CZ-CB 4.2Å; F35-I168 HydrophobicContact CZ-CG2 3.17Å; F35-L172 HydrophobicContact CB-CD1 4.2Å; F35-L172 HydrophobicContact CD1-CB 3.64Å; F35-L172 HydrophobicContact CD1-CD1 3.31Å; F35-L172 HydrophobicContact CD1-CG 4.06Å; F35-L172 HydrophobicContact CD2-CD1 3.35Å; F35-L172 HydrophobicContact CE1-CB 4.01Å; F35-L172 HydrophobicContact CE1-CD1 3.39Å; F35-L172 HydrophobicContact CE1-CG 4.17Å; F35-L172 HydrophobicContact CE2-CD1 3.47Å; F35-L172 VanDerWaalsContact CE2-CD1 3.47Å; F35-L172 HydrophobicContact CG-CB 4.22Å; F35-L172 HydrophobicContact CG-CD1 3.3Å; F35-L172 HydrophobicContact CG-CG 4.36Å; F35-L172 HydrophobicContact CZ-CD1 3.51Å
36	P	92.8	Very high	91.9	Very high	58 Å²	58	50.8 Å²	50.8	38%	0.377	24%	0.243	S	C	.	.	H	α-helix	trans	-55.5	-36	177.4	-27.1	36.5	0	0	0	113.8	E33 R38 V39 Q40	E33-P36 VanDerWaalsContact O-CD 3.29Å; E33-P36 WeakPolarHBondContact O-CD 3.22Å; P36-R38 VanDerWaalsContact C-N 3.35Å; P36-V39 PolarHBondContact O-N 3.25Å; P36-Q40 PolarHBondContact O-N 3.08Å
37	V	94.2	Very high	92.6	Very high	101 Å²	101	54.6 Å²	54.6	61%	0.612	25%	0.251	S	S	*	.	H	α-helix	trans	-66.5	-40	176.9	-179.7	0	0	0	0	110.5	E34 F35 Q40 R41	E34-V37 WeakPolarHBondContact O-CB 3.39Å; E34-V37 PolarHBondContact O-N 2.92Å; E34-V37 VanDerWaalsContact O-N 3.11Å; F35-V37 PolarHBondContact O-N 3.11Å; V37-Q40 PolarHBondContact O-N 3.47Å; V37-R41 PolarHBondContact O-N 3.03Å
38	R	94.6	Very high	93.1	Very high	44 Å²	44	58.7 Å²	58.7	17%	0.166	26%	0.263	C	S	.	.	H	α-helix	trans	-67.4	-38.9	177.1	-57.8	-170.3	-167.5	171.9	6.9	111.9	E34 F35 P36 R41 L42 I116 D123	E34-R38 IonicContact OE2-NH2 2.82Å; F35-R38 HydrophobicContact CD2-CB 4.47Å; F35-R38 WeakPolarHBondContact O-CA 3.45Å; F35-R38 WeakPolarHBondContact O-CB 2.9Å; F35-R38 PolarHBondContact O-N 3.2Å; P36-R38 VanDerWaalsContact C-N 3.35Å; R38-R41 PolarHBondContact O-N 3.26Å; R38-L42 WeakPolarHBondContact O-CG 3.32Å; R38-L42 PolarHBondContact O-N 3.29Å; R38-I116 HydrophobicContact CB-CG2 4.08Å; R38-D123 IonicContact CZ-OD2 3.19Å; R38-D123 IonicContact NH1-OD2 3.46Å; R38-D123 PolarHBondContact NH1-OD2 3.28Å; R38-D123 IonicContact NH2-OD2 3.32Å; R38-D123 PolarHBondContact NH2-OD2 3.29Å
39	V	95.7	Very high	93.5	Very high	3 Å²	3	58.2 Å²	58.2	2%	0.018	26%	0.26	C	S	.	.	H	α-helix	trans	-62.8	-44.7	172.6	178.1	0	0	0	0	111.4	F35 P36 R41 L42 R43 E169	F35-V39 HydrophobicContact CD1-CG2 3.63Å; F35-V39 HydrophobicContact CD2-CG2 4.49Å; F35-V39 HydrophobicContact CE1-CB 4.4Å; F35-V39 HydrophobicContact CE1-CG2 2.92Å; F35-V39 HydrophobicContact CE2-CG2 3.92Å; F35-V39 HydrophobicContact CG-CG2 4.35Å; F35-V39 HydrophobicContact CZ-CG2 3.06Å; F35-V39 PolarHBondContact O-N 3.38Å; P36-V39 PolarHBondContact O-N 3.25Å; V39-R41 PolarHBondContact O-N 3.39Å; V39-L42 WeakPolarHBondContact O-CB 2.95Å; V39-L42 PolarHBondContact O-N 3.27Å; V39-R43 HydrophobicContact CG1-CG 4.39Å; V39-R43 WeakPolarHBondContact O-CG 3.45Å; V39-R43 PolarHBondContact O-N 2.91Å; V39-E169 HydrophobicContact CG1-CB 4.39Å; V39-E169 HydrophobicContact CG2-CB 4.31Å
40	Q	97.1	Very high	94.1	Very high	110 Å²	110	61.7 Å²	61.7	51%	0.514	27%	0.268	S	S	.	.	H	α-helix	trans	-57	-44.4	177	-179.3	-179.7	-15.6	0	0	110.2	P36 V37 R43 E44	P36-Q40 PolarHBondContact O-N 3.08Å; V37-Q40 PolarHBondContact O-N 3.47Å; Q40-R43 PolarHBondContact O-N 3.24Å; Q40-E44 WeakPolarHBondContact CG-OE1 3.41Å; Q40-E44 PolarHBondContact NE2-OE1 3.11Å; Q40-E44 WeakPolarHBondContact O-CG 3.5Å; Q40-E44 PolarHBondContact O-N 3.42Å
41	R	97.7	Very high	94.6	Very high	114 Å²	114	58.4 Å²	58.4	43%	0.43	27%	0.271	S	S	.	.	H	α-helix	trans	-62.9	-44.3	176.6	-176.1	61.4	-170.4	-162.8	-3.2	112.7	V37 R38 V39 R43 E44 D45 I116	V37-R41 PolarHBondContact O-N 3.03Å; R38-R41 PolarHBondContact O-N 3.26Å; V39-R41 PolarHBondContact O-N 3.39Å; R41-R43 VanDerWaalsContact C-N 3.3Å; R41-R43 PolarHBondContact O-N 3.42Å; R41-E44 WeakPolarHBondContact O-CB 3.35Å; R41-E44 PolarHBondContact O-N 2.91Å; R41-E44 VanDerWaalsContact O-N 3.15Å; R41-D45 IonicContact CZ-OD1 3.72Å; R41-D45 IonicContact CZ-OD2 3.54Å; R41-D45 IonicContact NE-OD1 3.68Å; R41-D45 IonicContact NE-OD2 3.03Å; R41-D45 PolarHBondContact NE-OD2 3.03Å; R41-D45 IonicContact NH2-OD1 3.42Å; R41-D45 PolarHBondContact NH2-OD1 2.02Å; R41-D45 IonicContact NH2-OD2 2.74Å; R41-D45 PolarHBondContact O-N 2.74Å; R41-I116 HydrophobicContact CB-CD1 3.94Å; R41-I116 HydrophobicContact CG-CD1 3.5Å
42	L	98.3	Very high	94.9	Very high	1 Å²	1	61.3 Å²	61.3	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-55	-45	173.7	-76.7	170	0	0	0	111.9	R38 V39 D45 Y46 I113 I116 F117 F165	R38-L42 WeakPolarHBondContact O-CG 3.32Å; R38-L42 PolarHBondContact O-N 3.29Å; V39-L42 WeakPolarHBondContact O-CB 2.95Å; V39-L42 PolarHBondContact O-N 3.27Å; L42-D45 PolarHBondContact O-N 3.18Å; L42-Y46 VanDerWaalsContact O-CB 3.23Å; L42-Y46 WeakPolarHBondContact O-CB 3.14Å; L42-Y46 PolarHBondContact O-N 3.02Å; L42-I113 HydrophobicContact CD2-CB 4.23Å; L42-I113 HydrophobicContact CD2-CG1 4.09Å; L42-I113 HydrophobicContact CD2-CG2 3.98Å; L42-I116 HydrophobicContact CD1-CG2 3.87Å; L42-I116 HydrophobicContact CD2-CB 3.88Å; L42-I116 HydrophobicContact CD2-CD1 4.08Å; L42-I116 HydrophobicContact CD2-CG2 3.85Å; L42-I116 HydrophobicContact CG-CB 4.26Å; L42-I116 HydrophobicContact CG-CD1 4.15Å; L42-I116 HydrophobicContact CG-CG2 3.72Å; L42-F117 HydrophobicContact CD1-CD1 4.34Å; L42-F117 HydrophobicContact CD1-CE1 3.95Å; L42-F117 HydrophobicContact CD2-CD1 3.84Å; L42-F117 HydrophobicContact CD2-CE1 3.68Å; L42-F117 HydrophobicContact CG-CE1 4.48Å; L42-F165 HydrophobicContact CB-CD1 4.21Å; L42-F165 HydrophobicContact CB-CD2 4.19Å; L42-F165 HydrophobicContact CB-CE1 3.92Å; L42-F165 HydrophobicContact CB-CE2 3.89Å; L42-F165 HydrophobicContact CB-CG 4.35Å; L42-F165 HydrophobicContact CB-CZ 3.75Å; L42-F165 HydrophobicContact CD1-CD1 4.02Å; L42-F165 HydrophobicContact CD1-CE1 4.03Å; L42-F165 HydrophobicContact CD2-CE1 3.98Å; L42-F165 HydrophobicContact CD2-CZ 4.13Å; L42-F165 HydrophobicContact CG-CE1 4.2Å; L42-F165 HydrophobicContact CG-CZ 4.4Å; L42-F165 WeakPolarHBondContact O-CE2 3.37Å
43	R	98.4	Very high	95.4	Very high	39 Å²	39	61 Å²	61	15%	0.147	28%	0.282	C	S	.	.	H	α-helix	trans	-67.1	-38.4	177.3	-68.7	-173.6	-168.4	-80.7	3.7	112.3	V39 Q40 R41 R47 D162 F165 N166 E169	V39-R43 HydrophobicContact CG1-CG 4.39Å; V39-R43 WeakPolarHBondContact O-CG 3.45Å; V39-R43 PolarHBondContact O-N 2.91Å; Q40-R43 PolarHBondContact O-N 3.24Å; R41-R43 VanDerWaalsContact C-N 3.3Å; R41-R43 PolarHBondContact O-N 3.42Å; R43-R47 WeakPolarHBondContact O-CB 3.5Å; R43-R47 VanDerWaalsContact O-CG 3.22Å; R43-R47 WeakPolarHBondContact O-CG 3.5Å; R43-R47 PolarHBondContact O-N 3.37Å; R43-D162 IonicContact CZ-OD1 3.8Å; R43-D162 VanDerWaalsContact NH1-CG 3.34Å; R43-D162 IonicContact NH1-OD1 3.62Å; R43-D162 PolarHBondContact NH1-OD1 2.94Å; R43-D162 IonicContact NH1-OD2 2.94Å; R43-F165 HydrophobicContact CG-CD2 3.94Å; R43-N166 PolarHBondContact NH1-OD1 2.92Å; R43-N166 VanDerWaalsContact NH1-OD1 3.15Å; R43-N166 PolarHBondContact NH2-OD1 3.37Å; R43-E169 IonicContact CZ-OE2 3.21Å; R43-E169 IonicContact NE-OE2 2.64Å; R43-E169 IonicContact NH2-OE2 2.79Å; R43-E169 PolarHBondContact NH2-OE2 3.3Å
44	E	98.4	Very high	95.9	Very high	65 Å²	65	61.1 Å²	61.1	30%	0.304	28%	0.283	S	S	.	.	H	α-helix	trans	-63.3	-46.2	175.9	-75.3	170.4	-172.9	0	0	112.1	Q40 R41	Q40-E44 WeakPolarHBondContact CG-OE1 3.41Å; Q40-E44 PolarHBondContact NE2-OE1 3.11Å; Q40-E44 WeakPolarHBondContact O-CG 3.5Å; Q40-E44 PolarHBondContact O-N 3.42Å; R41-E44 WeakPolarHBondContact O-CB 3.35Å; R41-E44 PolarHBondContact O-N 2.91Å; R41-E44 VanDerWaalsContact O-N 3.15Å
45	D	98.3	Very high	96.3	Very high	3 Å²	3	60.5 Å²	60.5	2%	0.016	29%	0.289	C	S	.	.	H	α-helix	trans	-67.2	-43.2	176.4	-73.5	-43.8	0	0	0	111.2	R41 L42 R47 R48 H109 S112 I113	R41-D45 IonicContact CZ-OD1 3.72Å; R41-D45 IonicContact CZ-OD2 3.54Å; R41-D45 IonicContact NE-OD1 3.68Å; R41-D45 IonicContact NE-OD2 3.03Å; R41-D45 PolarHBondContact NE-OD2 3.03Å; R41-D45 IonicContact NH2-OD1 3.42Å; R41-D45 PolarHBondContact NH2-OD1 2.02Å; R41-D45 IonicContact NH2-OD2 2.74Å; R41-D45 PolarHBondContact O-N 2.74Å; L42-D45 PolarHBondContact O-N 3.18Å; D45-R47 PolarHBondContact O-N 3.34Å; D45-R48 WeakPolarHBondContact O-CB 3.44Å; D45-R48 PolarHBondContact O-N 3.35Å; D45-R48 VanDerWaalsContact O-N 3.08Å; D45-H109 HydrophobicContact CB-CB 4.2Å; D45-H109 IonicContact OD1-CE1 3.35Å; D45-H109 IonicContact OD1-CG 2.58Å; D45-H109 IonicContact OD1-ND1 3.32Å; D45-H109 PolarHBondContact OD1-ND1 3.2Å; D45-S112 VanDerWaalsContact OD2-CB 3.26Å; D45-S112 WeakPolarHBondContact OD2-CB 3.49Å; D45-S112 PolarHBondContact OD2-OG 3.29Å; D45-I113 HydrophobicContact CB-CD1 4.13Å; D45-I113 HydrophobicContact CB-CG1 3.85Å
46	Y	98.3	Very high	96.5	Very high	2 Å²	2	63.1 Å²	63.1	1%	0.008	30%	0.303	C	S	.	.	H	α-helix	trans	-62	-40.6	177.6	176	-112.4	0	0	0	112.6	L42 R48 I49 R50 E54 M158 G159 L161 D162 F165	L42-Y46 VanDerWaalsContact O-CB 3.23Å; L42-Y46 WeakPolarHBondContact O-CB 3.14Å; L42-Y46 PolarHBondContact O-N 3.02Å; Y46-R48 PolarHBondContact O-N 2.96Å; Y46-I49 HydrophobicContact CD2-CD1 4.33Å; Y46-I49 HydrophobicContact CD2-CG1 4.06Å; Y46-I49 CarbonylContact O-C 3.54Å; Y46-I49 WeakPolarHBondContact O-CG1 3.48Å; Y46-I49 PolarHBondContact O-N 3.4Å; Y46-R50 HydrophobicContact CD1-CB 4.31Å; Y46-R50 HydrophobicContact CD2-CB 4.46Å; Y46-R50 HydrophobicContact CE1-CB 3.87Å; Y46-R50 HydrophobicContact CE1-CG 3.83Å; Y46-R50 HydrophobicContact CE2-CB 4.07Å; Y46-R50 HydrophobicContact CE2-CG 4.43Å; Y46-R50 WeakPolarHBondContact O-CA 3.22Å; Y46-R50 VanDerWaalsContact O-CB 3.27Å; Y46-R50 WeakPolarHBondContact O-CB 3.21Å; Y46-R50 PolarHBondContact O-N 2.98Å; Y46-E54 PolarHBondContact OH-OE1 3.06Å; Y46-M158 WeakPolarHBondContact CE2-O 3.4Å; Y46-G159 PolarHBondContact OH-O 3.14Å; Y46-L161 HydrophobicContact CD2-CB 3.77Å; Y46-L161 HydrophobicContact CD2-CD1 3.97Å; Y46-L161 HydrophobicContact CE2-CB 3.85Å; Y46-L161 HydrophobicContact CE2-CD1 4.41Å; Y46-L161 HydrophobicContact CG-CB 4.31Å; Y46-D162 HydrophobicContact CD1-CB 4.12Å; Y46-D162 HydrophobicContact CE1-CB 3.67Å; Y46-F165 HydrophobicContact CD1-CE2 4.35Å; Y46-F165 HydrophobicContact CG-CE2 4.02Å
47	R	98.2	Very high	96.6	Very high	162 Å²	162	62.1 Å²	62.1	61%	0.611	30%	0.295	S	S	*	.	H	α-helix	trans	-54	-28.3	175.1	-79	173.9	-158.2	138.1	2.5	113.1	R43 D45	R43-R47 WeakPolarHBondContact O-CB 3.5Å; R43-R47 VanDerWaalsContact O-CG 3.22Å; R43-R47 WeakPolarHBondContact O-CG 3.5Å; R43-R47 PolarHBondContact O-N 3.37Å; D45-R47 PolarHBondContact O-N 3.34Å
48	R	97.9	Very high	96.5	Very high	180 Å²	180	62.5 Å²	62.5	68%	0.679	29%	0.293	S	S	*	.	H	α-helix	trans	-78.5	-26.6	-179.8	-59.7	-68.4	-175.5	-179.8	2.4	113.1	D45 Y46 H109	D45-R48 WeakPolarHBondContact O-CB 3.44Å; D45-R48 PolarHBondContact O-N 3.35Å; D45-R48 VanDerWaalsContact O-N 3.08Å; Y46-R48 PolarHBondContact O-N 2.96Å; R48-H109 HydrophobicContact CB-CB 4.44Å; R48-H109 WeakPolarHBondContact CB-CD2 3.4Å; R48-H109 WeakPolarHBondContact CB-NE2 3.41Å; R48-H109 WeakPolarHBondContact CG-NE2 3.49Å
49	I	96.9	Very high	96.4	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-109.6	-13.9	-177.4	63.4	172.9	0	0	0	113.4	Y46 G51 F52 Y53 L106 H109 V110 I113 M158	Y46-I49 HydrophobicContact CD2-CD1 4.33Å; Y46-I49 HydrophobicContact CD2-CG1 4.06Å; Y46-I49 CarbonylContact O-C 3.54Å; Y46-I49 WeakPolarHBondContact O-CG1 3.48Å; Y46-I49 PolarHBondContact O-N 3.4Å; I49-G51 PolarHBondContact O-N 3.35Å; I49-F52 WeakPolarHBondContact O-CB 3.21Å; I49-F52 PolarHBondContact O-N 3.39Å; I49-F52 VanDerWaalsContact O-N 3.12Å; I49-Y53 HydrophobicContact CB-CD2 3.95Å; I49-Y53 HydrophobicContact CB-CE2 3.88Å; I49-Y53 HydrophobicContact CD1-CD2 4.07Å; I49-Y53 HydrophobicContact CD1-CE2 3.82Å; I49-Y53 HydrophobicContact CG1-CD2 4.1Å; I49-Y53 HydrophobicContact CG1-CE2 4.17Å; I49-Y53 WeakPolarHBondContact O-CD2 3.23Å; I49-Y53 PolarHBondContact O-N 2.96Å; I49-L106 HydrophobicContact CB-CD2 4.42Å; I49-L106 HydrophobicContact CG2-CB 4.3Å; I49-L106 HydrophobicContact CG2-CD2 3.94Å; I49-H109 HydrophobicContact CG2-CB 3.62Å; I49-V110 HydrophobicContact CD1-CG2 4.07Å; I49-V110 HydrophobicContact CG2-CG2 4.37Å; I49-I113 HydrophobicContact CD1-CD1 3.51Å; I49-I113 HydrophobicContact CG1-CD1 4.49Å; I49-M158 HydrophobicContact CD1-CE 3.74Å
50	R	97.2	Very high	96.1	Very high	109 Å²	109	70.9 Å²	70.9	41%	0.411	34%	0.339	S	S	.	.	H	α-helix	trans	-50.4	-53.4	-174.6	173.1	176.3	-177.1	164.7	16.3	112.2	Y46 F52 Y53 E54	Y46-R50 HydrophobicContact CD1-CB 4.31Å; Y46-R50 HydrophobicContact CD2-CB 4.46Å; Y46-R50 HydrophobicContact CE1-CB 3.87Å; Y46-R50 HydrophobicContact CE1-CG 3.83Å; Y46-R50 HydrophobicContact CE2-CB 4.07Å; Y46-R50 HydrophobicContact CE2-CG 4.43Å; Y46-R50 WeakPolarHBondContact O-CA 3.22Å; Y46-R50 VanDerWaalsContact O-CB 3.27Å; Y46-R50 WeakPolarHBondContact O-CB 3.21Å; Y46-R50 PolarHBondContact O-N 2.98Å; R50-F52 PolarHBondContact O-N 3.41Å; R50-Y53 PolarHBondContact O-N 2.91Å; R50-E54 VanDerWaalsContact CG-CD 3.47Å; R50-E54 HydrophobicContact CG-CG 4.05Å; R50-E54 VanDerWaalsContact CG-OE2 3.26Å; R50-E54 WeakPolarHBondContact CG-OE2 3.34Å; R50-E54 IonicContact CZ-OE1 3.72Å; R50-E54 IonicContact CZ-OE2 3.58Å; R50-E54 IonicContact NE-OE1 3.04Å; R50-E54 PolarHBondContact NE-OE1 3.14Å; R50-E54 IonicContact NE-OE2 2.96Å; R50-E54 PolarHBondContact NE-OE2 3.47Å; R50-E54 IonicContact NH2-OE1 2.75Å; R50-E54 PolarHBondContact NH2-OE1 3.05Å; R50-E54 IonicContact NH2-OE2 3.71Å; R50-E54 WeakPolarHBondContact O-CB 3.46Å; R50-E54 PolarHBondContact O-N 3.43Å
51	G	95.9	Very high	95.9	Very high	51 Å²	51	69.4 Å²	69.4	53%	0.526	34%	0.335	S	S	.	.	H	α-helix	trans	-58.4	-37.3	-176.8	0	0	0	0	0	112.8	I49 S55	I49-G51 PolarHBondContact O-N 3.35Å; G51-S55 WeakPolarHBondContact O-CB 3.43Å; G51-S55 PolarHBondContact O-N 3.32Å; G51-S55 VanDerWaalsContact O-N 3.13Å; G51-S55 PolarHBondContact O-OG 3.49Å
52	F	95	Very high	95.8	Very high	64 Å²	64	66.1 Å²	66.1	28%	0.281	33%	0.332	S	S	.	.	H	α-helix	trans	-67.9	-46.5	177.3	174.3	-96.7	0	0	0	112	I49 R50 S55 N56 V100 L106 Y155	I49-F52 WeakPolarHBondContact O-CB 3.21Å; I49-F52 PolarHBondContact O-N 3.39Å; I49-F52 VanDerWaalsContact O-N 3.12Å; R50-F52 PolarHBondContact O-N 3.41Å; F52-S55 PolarHBondContact O-OG 2.96Å; F52-N56 PolarHBondContact O-ND2 3.49Å; F52-V100 HydrophobicContact CD1-CG1 4.37Å; F52-V100 HydrophobicContact CE1-CG1 3.71Å; F52-V100 HydrophobicContact CZ-CG1 4.12Å; F52-L106 HydrophobicContact CB-CD1 4.06Å; F52-L106 HydrophobicContact CD1-CD1 4.1Å; F52-L106 HydrophobicContact CD2-CD1 3.86Å; F52-L106 HydrophobicContact CE2-CD1 4.33Å; F52-L106 HydrophobicContact CG-CD1 3.73Å; F52-Y155 HydrophobicContact CE1-CD1 4.46Å; F52-Y155 AromaticContact CE1-CE1 3.84Å; F52-Y155 HydrophobicContact CE1-CE1 3.84Å; F52-Y155 HydrophobicContact CZ-CE1 4.04Å
53	Y	96.4	Very high	95.7	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-75.3	-41.1	-177.3	-70.8	-71.1	0	0	0	112.7	I49 R50 N56 D57 A96 V110 Y155 M158	I49-Y53 HydrophobicContact CB-CD2 3.95Å; I49-Y53 HydrophobicContact CB-CE2 3.88Å; I49-Y53 HydrophobicContact CD1-CD2 4.07Å; I49-Y53 HydrophobicContact CD1-CE2 3.82Å; I49-Y53 HydrophobicContact CG1-CD2 4.1Å; I49-Y53 HydrophobicContact CG1-CE2 4.17Å; I49-Y53 WeakPolarHBondContact O-CD2 3.23Å; I49-Y53 PolarHBondContact O-N 2.96Å; R50-Y53 PolarHBondContact O-N 2.91Å; Y53-N56 PolarHBondContact O-N 2.84Å; Y53-D57 PolarHBondContact O-N 3.08Å; Y53-A96 HydrophobicContact CE1-CB 4.42Å; Y53-A96 WeakPolarHBondContact OH-CB 3.21Å; Y53-V110 HydrophobicContact CE2-CG2 4.22Å; Y53-Y155 AromaticContact CD1-CD1 3.76Å; Y53-Y155 HydrophobicContact CD1-CD1 3.76Å; Y53-Y155 HydrophobicContact CD1-CE1 4.4Å; Y53-Y155 HydrophobicContact CE1-CD1 4.28Å; Y53-M158 HydrophobicContact CD1-CB 3.32Å; Y53-M158 HydrophobicContact CD1-CG 3.84Å; Y53-M158 HydrophobicContact CD2-CB 3.75Å; Y53-M158 HydrophobicContact CD2-CE 4.26Å; Y53-M158 HydrophobicContact CD2-CG 4.46Å; Y53-M158 HydrophobicContact CE1-CB 3.71Å; Y53-M158 HydrophobicContact CE1-CG 3.68Å; Y53-M158 HydrophobicContact CE2-CB 4.1Å; Y53-M158 HydrophobicContact CE2-CE 3.7Å; Y53-M158 HydrophobicContact CE2-CG 4.32Å; Y53-M158 HydrophobicContact CG-CB 3.34Å; Y53-M158 HydrophobicContact CG-CG 4.25Å
54	E	96.3	Very high	95.7	Very high	76 Å²	76	64.4 Å²	64.4	36%	0.355	33%	0.326	S	S	.	.	H	α-helix	trans	-67.6	-34.2	177.6	-71.1	-176.6	159.1	0	0	112.5	Y46 R50 N56 D57	Y46-E54 PolarHBondContact OH-OE1 3.06Å; R50-E54 VanDerWaalsContact CG-CD 3.47Å; R50-E54 HydrophobicContact CG-CG 4.05Å; R50-E54 VanDerWaalsContact CG-OE2 3.26Å; R50-E54 WeakPolarHBondContact CG-OE2 3.34Å; R50-E54 IonicContact CZ-OE1 3.72Å; R50-E54 IonicContact CZ-OE2 3.58Å; R50-E54 IonicContact NE-OE1 3.04Å; R50-E54 PolarHBondContact NE-OE1 3.14Å; R50-E54 IonicContact NE-OE2 2.96Å; R50-E54 PolarHBondContact NE-OE2 3.47Å; R50-E54 IonicContact NH2-OE1 2.75Å; R50-E54 PolarHBondContact NH2-OE1 3.05Å; R50-E54 IonicContact NH2-OE2 3.71Å; R50-E54 WeakPolarHBondContact O-CB 3.46Å; R50-E54 PolarHBondContact O-N 3.43Å; E54-N56 PolarHBondContact O-N 3.39Å; E54-D57 PolarHBondContact O-N 3.33Å
55	S	95.4	Very high	95.5	Very high	84 Å²	84	64 Å²	64	59%	0.587	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-13.8	178.5	72.2	0	0	0	0	114.2	G51 F52	G51-S55 WeakPolarHBondContact O-CB 3.43Å; G51-S55 PolarHBondContact O-N 3.32Å; G51-S55 VanDerWaalsContact O-N 3.13Å; G51-S55 PolarHBondContact O-OG 3.49Å; F52-S55 PolarHBondContact O-OG 2.96Å
56	N	94.3	Very high	95.3	Very high	59 Å²	59	69.1 Å²	69.1	32%	0.316	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	5.3	178.8	-70.8	-89.3	0	0	0	111.7	F52 Y53 E54 Y155	F52-N56 PolarHBondContact O-ND2 3.49Å; Y53-N56 PolarHBondContact O-N 2.84Å; E54-N56 PolarHBondContact O-N 3.39Å; N56-Y155 HydrophobicContact CB-CD1 3.41Å; N56-Y155 VanDerWaalsContact CB-CD1 3.41Å; N56-Y155 HydrophobicContact CB-CD2 4.19Å; N56-Y155 HydrophobicContact CB-CE1 3.74Å; N56-Y155 HydrophobicContact CB-CE2 4.46Å; N56-Y155 HydrophobicContact CB-CG 3.68Å; N56-Y155 WeakPolarHBondContact O-CB 3.48Å
57	D	93.3	Very high	95	Very high	38 Å²	38	72 Å²	72	20%	0.203	37%	0.37	C	S	.	.			trans	-88.9	104.6	170.7	178.7	18	0	0	0	109.7	Y53 E54 F59 K156	Y53-D57 PolarHBondContact O-N 3.08Å; E54-D57 PolarHBondContact O-N 3.33Å; D57-F59 WeakPolarHBondContact OD1-CB 3.43Å; D57-F59 PolarHBondContact OD1-N 3.3Å; D57-K156 WeakPolarHBondContact OD1-CD 3.43Å; D57-K156 IonicContact OD1-NZ 3.58Å; D57-K156 WeakPolarHBondContact OD2-CD 3.38Å; D57-K156 IonicContact OD2-NZ 3.2Å; D57-K156 PolarHBondContact OD2-NZ 2.94Å
58	D	92.1	Very high	94.9	Very high	108 Å²	108	64.4 Å²	64.4	58%	0.578	34%	0.342	S	S	*	.			trans	-104	31.2	173	-25.1	-72.5	0	0	0	112.5	R152	D58-R152 PolarHBondContact O-NH2 3.43Å; D58-R152 VanDerWaalsContact O-NH2 3.1Å; D58-R152 IonicContact OD2-CZ 2.67Å; D58-R152 IonicContact OD2-NE 3.88Å; D58-R152 IonicContact OD2-NH1 2.85Å; D58-R152 PolarHBondContact OD2-NH1 2.7Å; D58-R152 IonicContact OD2-NH2 3.72Å; D58-R152 PolarHBondContact OD2-NH2 2.99Å
59	F	93.8	Very high	94.8	Very high	47 Å²	47	58.1 Å²	58.1	21%	0.206	32%	0.32	C	S	.	.			trans	-108.7	121	175.9	-64.5	-77.3	0	0	0	112.2	D57 M149 R152 K156	D57-F59 WeakPolarHBondContact OD1-CB 3.43Å; D57-F59 PolarHBondContact OD1-N 3.3Å; F59-M149 HydrophobicContact CB-CE 4.36Å; F59-M149 HydrophobicContact CD1-CE 4.43Å; F59-M149 HydrophobicContact CD1-CG 4.13Å; F59-M149 HydrophobicContact CD2-CG 4.22Å; F59-M149 HydrophobicContact CD2-SD 4.29Å; F59-M149 HydrophobicContact CE1-CB 4.15Å; F59-M149 HydrophobicContact CE1-CG 3.77Å; F59-M149 HydrophobicContact CE2-CB 3.77Å; F59-M149 HydrophobicContact CE2-CG 3.83Å; F59-M149 HydrophobicContact CE2-SD 4.34Å; F59-M149 HydrophobicContact CG-CE 4.22Å; F59-M149 HydrophobicContact CG-CG 4.35Å; F59-M149 HydrophobicContact CZ-CB 3.52Å; F59-M149 HydrophobicContact CZ-CG 3.61Å; F59-R152 HydrophobicContact CE2-CB 3.54Å; F59-R152 HydrophobicContact CZ-CB 3.93Å; F59-K156 HydrophobicContact CB-CD 4.29Å; F59-K156 HydrophobicContact CD2-CB 4.14Å; F59-K156 PolarHBondContact O-NZ 3.44Å
60	D	89.9	Confident	94.8	Very high	176 Å²	176	62.1 Å²	62.1	94%	0.941	34%	0.341	S	S	*	.			trans	-75	-25.1	176.2	-66	-33.2	0	0	0	112.9
61	N	92.3	Very high	94.7	Very high	79 Å²	79	57.4 Å²	57.4	42%	0.422	33%	0.326	S	S	.	.	S	Bend	trans	-81.6	134.6	179.5	63	-54.6	0	0	0	111.2	M149 K156	N61-M149 WeakPolarHBondContact ND2-CE 3.33Å; N61-K156 WeakPolarHBondContact O-CE 3.26Å; N61-K156 PolarHBondContact O-NZ 3.47Å
62	A	94.7	Very high	94.7	Very high	46 Å²	46	55.7 Å²	55.7	38%	0.38	30%	0.304	S	S	.	.			trans	-68	138.7	175.1	0	0	0	0	0	111.6	E160	A62-E160 VanDerWaalsContact CA-OE1 3.29Å; A62-E160 WeakPolarHBondContact CA-OE1 3.43Å
63	L	97.3	Very high	94.7	Very high	4 Å²	4	59.1 Å²	59.1	2%	0.021	32%	0.319	C	S	.	.	S	Bend	trans	-82.5	-42	168.7	176.8	68	0	0	0	110.3	D65 F87 L142 T145 Y146 M149 K156 A157 E160	L63-D65 VanDerWaalsContact C-N 3.25Å; L63-D65 PolarHBondContact O-N 2.87Å; L63-D65 VanDerWaalsContact O-N 3.16Å; L63-F87 HydrophobicContact CD2-CE1 4.49Å; L63-L142 HydrophobicContact CD1-CG 4.19Å; L63-L142 HydrophobicContact CG-CG 4.42Å; L63-T145 HydrophobicContact CD1-CG2 3.84Å; L63-Y146 HydrophobicContact CD2-CD2 3.97Å; L63-M149 HydrophobicContact CB-CE 4.44Å; L63-M149 HydrophobicContact CD1-SD 4.43Å; L63-K156 HydrophobicContact CB-CG 3.73Å; L63-A157 HydrophobicContact CD2-CB 3.57Å; L63-E160 WeakPolarHBondContact CA-OE2 3.39Å; L63-E160 WeakPolarHBondContact CB-OE2 3.48Å; L63-E160 PolarHBondContact N-OE1 3.19Å; L63-E160 VanDerWaalsContact N-OE1 3.14Å; L63-E160 PolarHBondContact N-OE2 3.16Å
64	L	97	Very high	94.6	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	33%	0.333	C	S	.	.	S	Bend	trans	-86.2	65.3	171.5	-57.8	-176.9	0	0	0	110.5	V68 Y88 L142 E160 Q163 L164 Y167	L64-V68 HydrophobicContact CD2-CG1 4.38Å; L64-Y88 HydrophobicContact CD2-CE2 4.48Å; L64-L142 HydrophobicContact CD2-CD1 3.93Å; L64-E160 WeakPolarHBondContact CB-OE2 3.23Å; L64-E160 HydrophobicContact CD1-CB 3.95Å; L64-E160 HydrophobicContact CG-CB 4.24Å; L64-E160 PolarHBondContact N-OE2 2.88Å; L64-Q163 HydrophobicContact CD1-CB 4.4Å; L64-Q163 PolarHBondContact O-NE2 3.49Å; L64-L164 HydrophobicContact CD1-CB 3.7Å; L64-Y167 HydrophobicContact CB-CE2 4.24Å; L64-Y167 PolarHBondContact O-OH 2.99Å
65	D	94.7	Very high	94.4	Very high	57 Å²	57	63.1 Å²	63.1	31%	0.305	34%	0.342	S	S	.	.			trans	-68.4	-176.4	-174.4	76	5	0	0	0	114.5	L63 S67 V68 E69	L63-D65 VanDerWaalsContact C-N 3.25Å; L63-D65 PolarHBondContact O-N 2.87Å; L63-D65 VanDerWaalsContact O-N 3.16Å; D65-S67 PolarHBondContact O-N 3.49Å; D65-S67 WeakPolarHBondContact OD1-CA 3.5Å; D65-S67 VanDerWaalsContact OD1-CB 3.24Å; D65-S67 WeakPolarHBondContact OD1-CB 3.46Å; D65-S67 PolarHBondContact OD1-N 3.04Å; D65-S67 PolarHBondContact OD1-OG 3.04Å; D65-S67 PolarHBondContact OD2-OG 3Å; D65-V68 WeakPolarHBondContact O-CB 3.19Å; D65-V68 PolarHBondContact O-N 3.23Å; D65-V68 VanDerWaalsContact O-N 3.13Å; D65-V68 PolarHBondContact OD1-N 3.48Å; D65-E69 PolarHBondContact O-N 3.44Å
66	Q	93.9	Very high	94.5	Very high	109 Å²	109	61.6 Å²	61.6	51%	0.509	33%	0.325	S	S	.	.	H	α-helix	trans	-58.4	-32.1	178.8	-168.4	61.9	58.2	0	0	112.8	V68 E69 D70	Q66-V68 VanDerWaalsContact C-N 3.3Å; Q66-V68 PolarHBondContact O-N 3.29Å; Q66-E69 PolarHBondContact NE2-OE2 3.4Å; Q66-E69 PolarHBondContact O-N 3.32Å; Q66-E69 PolarHBondContact OE1-OE2 2.86Å; Q66-D70 PolarHBondContact NE2-OD1 3.28Å; Q66-D70 WeakPolarHBondContact O-CB 3.48Å; Q66-D70 PolarHBondContact O-N 2.58Å
67	S	93.6	Very high	94.5	Very high	63 Å²	63	58.9 Å²	58.9	44%	0.441	31%	0.311	S	S	.	.	H	α-helix	trans	-66.3	-36	179.8	81.4	0	0	0	0	111.6	D65 A71	D65-S67 PolarHBondContact O-N 3.49Å; D65-S67 WeakPolarHBondContact OD1-CA 3.5Å; D65-S67 VanDerWaalsContact OD1-CB 3.24Å; D65-S67 WeakPolarHBondContact OD1-CB 3.46Å; D65-S67 PolarHBondContact OD1-N 3.04Å; D65-S67 PolarHBondContact OD1-OG 3.04Å; D65-S67 PolarHBondContact OD2-OG 3Å; S67-A71 WeakPolarHBondContact O-CB 3.31Å; S67-A71 PolarHBondContact O-N 3.39Å; S67-A71 VanDerWaalsContact O-N 3.08Å
68	V	96.1	Very high	94.6	Very high	2 Å²	2	57.1 Å²	57.1	1%	0.012	30%	0.302	C	S	.	.	H	α-helix	trans	-66.6	-47.6	173.4	175.4	0	0	0	0	110.5	L64 D65 Q66 D70 A71 F72 I84 L142 Y167	L64-V68 HydrophobicContact CD2-CG1 4.38Å; D65-V68 WeakPolarHBondContact O-CB 3.19Å; D65-V68 PolarHBondContact O-N 3.23Å; D65-V68 VanDerWaalsContact O-N 3.13Å; D65-V68 PolarHBondContact OD1-N 3.48Å; Q66-V68 VanDerWaalsContact C-N 3.3Å; Q66-V68 PolarHBondContact O-N 3.29Å; V68-D70 VanDerWaalsContact C-N 3.34Å; V68-D70 PolarHBondContact O-N 3.43Å; V68-A71 WeakPolarHBondContact O-CB 3.36Å; V68-A71 PolarHBondContact O-N 2.94Å; V68-F72 HydrophobicContact CG1-CD2 4.11Å; V68-F72 HydrophobicContact CG1-CE2 4.14Å; V68-F72 WeakPolarHBondContact O-CD2 3.48Å; V68-F72 PolarHBondContact O-N 3Å; V68-F72 VanDerWaalsContact O-N 3.14Å; V68-I84 HydrophobicContact CG1-CD1 3.53Å; V68-L142 HydrophobicContact CG2-CD1 3.84Å; V68-Y167 HydrophobicContact CG1-CD2 4.02Å; V68-Y167 HydrophobicContact CG1-CE2 3.84Å
69	E	95.8	Very high	94.7	Very high	48 Å²	48	52.9 Å²	52.9	22%	0.224	28%	0.278	C	S	.	.	H	α-helix	trans	-58.7	-47.1	178.6	-169	-178.1	-171.9	0	0	111.7	D65 Q66 A71 F72 K73 Y167	D65-E69 PolarHBondContact O-N 3.44Å; Q66-E69 PolarHBondContact NE2-OE2 3.4Å; Q66-E69 PolarHBondContact O-N 3.32Å; Q66-E69 PolarHBondContact OE1-OE2 2.86Å; E69-A71 VanDerWaalsContact C-N 3.26Å; E69-A71 PolarHBondContact O-N 2.84Å; E69-F72 PolarHBondContact O-N 3.35Å; E69-F72 VanDerWaalsContact O-N 3.12Å; E69-K73 HydrophobicContact CG-CD 4.31Å; E69-K73 PolarHBondContact O-N 3.11Å; E69-K73 WeakPolarHBondContact OE1-CE 3.5Å; E69-K73 IonicContact OE1-NZ 3.8Å; E69-K73 PolarHBondContact OE1-NZ 2.95Å; E69-K73 IonicContact OE2-NZ 3.88Å; E69-Y167 HydrophobicContact CB-CE1 3.96Å; E69-Y167 HydrophobicContact CB-CE2 4.43Å; E69-Y167 WeakPolarHBondContact CB-OH 3.45Å; E69-Y167 HydrophobicContact CG-CD1 4.33Å; E69-Y167 HydrophobicContact CG-CE1 3.6Å
70	D	95.4	Very high	94.9	Very high	84 Å²	84	50.7 Å²	50.7	45%	0.449	27%	0.269	S	S	.	.	H	α-helix	trans	-61.9	-37.3	179.7	-70.6	-10.2	0	0	0	111.2	Q66 V68 F72 K73 S74	Q66-D70 PolarHBondContact NE2-OD1 3.28Å; Q66-D70 WeakPolarHBondContact O-CB 3.48Å; Q66-D70 PolarHBondContact O-N 2.58Å; V68-D70 VanDerWaalsContact C-N 3.34Å; V68-D70 PolarHBondContact O-N 3.43Å; D70-F72 PolarHBondContact O-N 3.32Å; D70-K73 PolarHBondContact O-N 3.21Å; D70-S74 WeakPolarHBondContact O-CB 3.46Å; D70-S74 PolarHBondContact O-N 2.75Å
71	A	96.1	Very high	95.2	Very high	11 Å²	11	42.3 Å²	42.3	9%	0.091	22%	0.224	C	C	.	.	H	α-helix	trans	-61.8	-43.3	174.7	0	0	0	0	0	112	S67 V68 E69 K73 S74 A77 A80 F137	S67-A71 WeakPolarHBondContact O-CB 3.31Å; S67-A71 PolarHBondContact O-N 3.39Å; S67-A71 VanDerWaalsContact O-N 3.08Å; V68-A71 WeakPolarHBondContact O-CB 3.36Å; V68-A71 PolarHBondContact O-N 2.94Å; E69-A71 VanDerWaalsContact C-N 3.26Å; E69-A71 PolarHBondContact O-N 2.84Å; A71-K73 VanDerWaalsContact C-N 3.29Å; A71-K73 PolarHBondContact O-N 3.15Å; A71-S74 PolarHBondContact O-N 3Å; A71-S74 VanDerWaalsContact O-N 3.16Å; A71-S74 PolarHBondContact O-OG 3.26Å; A71-A77 VanDerWaalsContact O-CA 3.28Å; A71-A77 WeakPolarHBondContact O-CA 3.22Å; A71-A77 PolarHBondContact O-N 2.87Å; A71-A80 HydrophobicContact CB-CB 3.8Å; A71-F137 HydrophobicContact CB-CD2 3.49Å; A71-F137 VanDerWaalsContact CB-CD2 3.49Å; A71-F137 HydrophobicContact CB-CE2 3.46Å; A71-F137 VanDerWaalsContact CB-CE2 3.46Å
72	F	95.9	Very high	95.3	Very high	14 Å²	14	39.7 Å²	39.7	6%	0.061	21%	0.21	C	C	.	.	H	α-helix	trans	-67.2	-25	175.5	-89.4	-89.9	0	0	0	113.9	V68 E69 D70 A77 A80 M81 I84 L164 Y167 I168	V68-F72 HydrophobicContact CG1-CD2 4.11Å; V68-F72 HydrophobicContact CG1-CE2 4.14Å; V68-F72 WeakPolarHBondContact O-CD2 3.48Å; V68-F72 PolarHBondContact O-N 3Å; V68-F72 VanDerWaalsContact O-N 3.14Å; E69-F72 PolarHBondContact O-N 3.35Å; E69-F72 VanDerWaalsContact O-N 3.12Å; D70-F72 PolarHBondContact O-N 3.32Å; F72-A77 WeakPolarHBondContact O-CB 3.46Å; F72-A80 HydrophobicContact CD2-CB 4.43Å; F72-A80 HydrophobicContact CE2-CB 4.49Å; F72-M81 HydrophobicContact CE1-CB 3.76Å; F72-M81 HydrophobicContact CE1-CG 4.2Å; F72-M81 HydrophobicContact CZ-CB 3.9Å; F72-M81 HydrophobicContact CZ-CG 4.37Å; F72-I84 HydrophobicContact CD2-CD1 4.45Å; F72-I84 HydrophobicContact CE2-CD1 3.6Å; F72-I84 HydrophobicContact CZ-CD1 4.4Å; F72-L164 HydrophobicContact CE2-CD1 4.41Å; F72-L164 HydrophobicContact CZ-CD1 4.19Å; F72-Y167 WeakPolarHBondContact CD1-O 3.21Å; F72-Y167 HydrophobicContact CD2-CD2 4.04Å; F72-Y167 HydrophobicContact CD2-CG 4.2Å; F72-Y167 HydrophobicContact CE2-CD2 4.19Å; F72-Y167 HydrophobicContact CG-CG 4.35Å; F72-I168 HydrophobicContact CE1-CG1 4.12Å; F72-I168 HydrophobicContact CZ-CG1 4.24Å
73	K	94.5	Very high	95.4	Very high	136 Å²	136	38.5 Å²	38.5	59%	0.591	20%	0.199	S	C	*	.	H	α-helix	trans	-84.9	-11.7	173.6	-68.3	173.4	-177.3	166.9	0	113.5	E69 D70 A71	E69-K73 HydrophobicContact CG-CD 4.31Å; E69-K73 PolarHBondContact O-N 3.11Å; E69-K73 WeakPolarHBondContact OE1-CE 3.5Å; E69-K73 IonicContact OE1-NZ 3.8Å; E69-K73 PolarHBondContact OE1-NZ 2.95Å; E69-K73 IonicContact OE2-NZ 3.88Å; D70-K73 PolarHBondContact O-N 3.21Å; A71-K73 VanDerWaalsContact C-N 3.29Å; A71-K73 PolarHBondContact O-N 3.15Å
74	S	94.4	Very high	95.4	Very high	44 Å²	44	38.3 Å²	38.3	31%	0.308	20%	0.198	S	C	.	.	S	Bend	trans	-94.4	179.9	-174.7	81.2	0	0	0	0	113.7	D70 A71 F76 A77	D70-S74 WeakPolarHBondContact O-CB 3.46Å; D70-S74 PolarHBondContact O-N 2.75Å; A71-S74 PolarHBondContact O-N 3Å; A71-S74 VanDerWaalsContact O-N 3.16Å; A71-S74 PolarHBondContact O-OG 3.26Å; S74-F76 PolarHBondContact O-N 2.69Å; S74-F76 WeakPolarHBondContact OG-CB 3.49Å; S74-F76 WeakPolarHBondContact OG-CD2 3.24Å; S74-F76 PolarHBondContact OG-N 2.67Å; S74-A77 WeakPolarHBondContact O-CB 3.42Å; S74-A77 PolarHBondContact O-N 3.15Å
75	Q	93	Very high	95.5	Very high	116 Å²	116	38.4 Å²	38.4	54%	0.542	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-9.2	169.7	68.8	179.3	-28.2	0	0	114.1	K134	Q75-K134 HydrophobicContact CB-CD 4.15Å; Q75-K134 HydrophobicContact CG-CD 4.13Å; Q75-K134 VanDerWaalsContact OE1-CD 3.28Å
76	F	95.5	Very high	95.6	Very high	53 Å²	53	39.9 Å²	39.9	23%	0.232	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	1.5	-178.8	-50.4	-59.4	0	0	0	113.2	S74 C78 E79 A80 K134 K135 P136	S74-F76 PolarHBondContact O-N 2.69Å; S74-F76 WeakPolarHBondContact OG-CB 3.49Å; S74-F76 WeakPolarHBondContact OG-CD2 3.24Å; S74-F76 PolarHBondContact OG-N 2.67Å; F76-C78 VanDerWaalsContact C-N 3.27Å; F76-C78 PolarHBondContact O-N 3.46Å; F76-C78 VanDerWaalsContact O-N 3.13Å; F76-E79 PolarHBondContact O-N 2.85Å; F76-A80 PolarHBondContact O-N 3.19Å; F76-K134 HydrophobicContact CD1-CB 3.92Å; F76-K134 HydrophobicContact CE1-CB 4.17Å; F76-K135 WeakPolarHBondContact CE1-O 3.5Å; F76-P136 WeakPolarHBondContact CD1-O 3.23Å; F76-P136 VanDerWaalsContact CG-O 3.25Å; F76-P136 WeakPolarHBondContact CG-O 3.26Å
77	A	95.6	Very high	95.8	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.008	18%	0.181	C	C	.	.	H	α-helix	trans	-52.8	-37.7	-174.7	0	0	0	0	0	114.7	A71 F72 S74 A80 M81 Y171	A71-A77 VanDerWaalsContact O-CA 3.28Å; A71-A77 WeakPolarHBondContact O-CA 3.22Å; A71-A77 PolarHBondContact O-N 2.87Å; F72-A77 WeakPolarHBondContact O-CB 3.46Å; S74-A77 WeakPolarHBondContact O-CB 3.42Å; S74-A77 PolarHBondContact O-N 3.15Å; A77-A80 PolarHBondContact O-N 2.85Å; A77-M81 VanDerWaalsContact O-CB 3.31Å; A77-M81 WeakPolarHBondContact O-CB 3.31Å; A77-M81 PolarHBondContact O-N 3.5Å; A77-Y171 HydrophobicContact CB-CD2 3.35Å; A77-Y171 HydrophobicContact CB-CE2 3.39Å; A77-Y171 HydrophobicContact CB-CG 4.13Å
78	C	95.3	Very high	96.1	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.014	16%	0.16	C	C	.	.	H	α-helix	trans	-62	-45.3	174.3	174	0	0	0	0	112.4	F76 M81 N82 F131 C133 Y171	F76-C78 VanDerWaalsContact C-N 3.27Å; F76-C78 PolarHBondContact O-N 3.46Å; F76-C78 VanDerWaalsContact O-N 3.13Å; C78-M81 PolarHBondContact O-N 2.91Å; C78-N82 WeakPolarHBondContact O-CB 3.49Å; C78-N82 PolarHBondContact O-N 2.85Å; C78-F131 HydrophobicContact CB-CB 4.07Å; C78-C133 HydrophobicContact CB-CB 3.58Å; C78-C133 WeakPolarHBondContact CB-SG 3.22Å; C78-C133 WeakPolarHBondContact SG-CB 3.35Å; C78-C133 CovalentContact SG-SG 2.01Å; C78-C133 PolarHBondContact SG-SG 3.43Å; C78-Y171 WeakPolarHBondContact CB-OH 3.39Å
79	E	94.9	Very high	96.2	Very high	19 Å²	19	33.4 Å²	33.4	9%	0.089	17%	0.167	C	C	.	.	H	α-helix	trans	-71.9	-35.7	-178.7	-168.1	72.2	-176.6	0	0	110.6	F76 N82 S83 R128 K134 K135 F137	F76-E79 PolarHBondContact O-N 2.85Å; E79-N82 PolarHBondContact O-N 3.35Å; E79-S83 WeakPolarHBondContact O-CB 3.39Å; E79-S83 PolarHBondContact O-N 2.97Å; E79-S83 PolarHBondContact O-OG 3.13Å; E79-R128 IonicContact OE2-NH2 3.1Å; E79-R128 PolarHBondContact OE2-NH2 3.09Å; E79-K134 VanDerWaalsContact CB-O 3.26Å; E79-K134 WeakPolarHBondContact CB-O 3.49Å; E79-K135 HydrophobicContact CG-CG 4.23Å; E79-K135 VanDerWaalsContact OE1-CE 3.3Å; E79-K135 WeakPolarHBondContact OE1-CE 3.29Å; E79-F137 HydrophobicContact CB-CB 4.31Å; E79-F137 HydrophobicContact CG-CB 4.23Å
80	A	96.3	Very high	96.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-58.2	-53.1	171.1	0	0	0	0	0	111.4	A71 F72 F76 A77 N82 S83 I84 F137	A71-A80 HydrophobicContact CB-CB 3.8Å; F72-A80 HydrophobicContact CD2-CB 4.43Å; F72-A80 HydrophobicContact CE2-CB 4.49Å; F76-A80 PolarHBondContact O-N 3.19Å; A77-A80 PolarHBondContact O-N 2.85Å; A80-N82 PolarHBondContact O-N 2.78Å; A80-S83 PolarHBondContact O-N 2.56Å; A80-I84 WeakPolarHBondContact O-CB 3.32Å; A80-I84 WeakPolarHBondContact O-CG1 3.36Å; A80-I84 PolarHBondContact O-N 3.4Å; A80-F137 HydrophobicContact CB-CB 4.46Å; A80-F137 HydrophobicContact CB-CD1 4.13Å; A80-F137 HydrophobicContact CB-CD2 3.7Å; A80-F137 HydrophobicContact CB-CE1 4.25Å; A80-F137 HydrophobicContact CB-CE2 3.87Å; A80-F137 HydrophobicContact CB-CG 3.82Å; A80-F137 HydrophobicContact CB-CZ 4.13Å
81	M	95.9	Very high	96.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-57.6	-46.3	176	-177.4	173.8	50.9	0	0	111.9	F72 A77 C78 S83 I84 L85 V124 I168 Y171 L172	F72-M81 HydrophobicContact CE1-CB 3.76Å; F72-M81 HydrophobicContact CE1-CG 4.2Å; F72-M81 HydrophobicContact CZ-CB 3.9Å; F72-M81 HydrophobicContact CZ-CG 4.37Å; A77-M81 VanDerWaalsContact O-CB 3.31Å; A77-M81 WeakPolarHBondContact O-CB 3.31Å; A77-M81 PolarHBondContact O-N 3.5Å; C78-M81 PolarHBondContact O-N 2.91Å; M81-S83 VanDerWaalsContact C-N 3.34Å; M81-S83 PolarHBondContact O-N 3.43Å; M81-I84 PolarHBondContact O-N 3.42Å; M81-L85 HydrophobicContact CG-CD1 3.71Å; M81-L85 HydrophobicContact CG-CG 4.28Å; M81-L85 VanDerWaalsContact O-CB 3.29Å; M81-L85 WeakPolarHBondContact O-CB 3.47Å; M81-L85 WeakPolarHBondContact O-CD1 3.41Å; M81-L85 WeakPolarHBondContact O-CG 3.48Å; M81-L85 PolarHBondContact O-N 3.4Å; M81-V124 HydrophobicContact CE-CB 4.16Å; M81-V124 HydrophobicContact CE-CG1 3.78Å; M81-V124 HydrophobicContact CE-CG2 3.23Å; M81-V124 HydrophobicContact SD-CG2 3.92Å; M81-I168 HydrophobicContact CG-CG1 4.47Å; M81-I168 HydrophobicContact SD-CG1 4.43Å; M81-I168 HydrophobicContact SD-CG2 3.9Å; M81-Y171 HydrophobicContact CE-CD1 3.53Å; M81-Y171 HydrophobicContact CE-CE1 3.31Å; M81-Y171 HydrophobicContact SD-CD1 3.98Å; M81-Y171 HydrophobicContact SD-CE1 4.37Å; M81-L172 HydrophobicContact CE-CD2 4.4Å
82	N	95.4	Very high	96.5	Very high	25 Å²	25	32.2 Å²	32.2	13%	0.134	17%	0.167	C	C	.	.	H	α-helix	trans	-61.6	-41	178.4	179.4	80.8	0	0	0	112.6	C78 E79 A80 E86 V124	C78-N82 WeakPolarHBondContact O-CB 3.49Å; C78-N82 PolarHBondContact O-N 2.85Å; E79-N82 PolarHBondContact O-N 3.35Å; A80-N82 PolarHBondContact O-N 2.78Å; N82-E86 PolarHBondContact O-N 2.93Å; N82-E86 VanDerWaalsContact O-N 3.08Å; N82-V124 HydrophobicContact CB-CG1 4.42Å
83	S	96.5	Very high	96.6	Very high	21 Å²	21	31.5 Å²	31.5	15%	0.147	16%	0.164	C	C	.	.	H	α-helix	trans	-73.1	-40	-177.9	-54.2	0	0	0	0	111.8	E79 A80 M81 E86 F87	E79-S83 WeakPolarHBondContact O-CB 3.39Å; E79-S83 PolarHBondContact O-N 2.97Å; E79-S83 PolarHBondContact O-OG 3.13Å; A80-S83 PolarHBondContact O-N 2.56Å; M81-S83 VanDerWaalsContact C-N 3.34Å; M81-S83 PolarHBondContact O-N 3.43Å; S83-E86 WeakPolarHBondContact O-CB 3.07Å; S83-E86 PolarHBondContact O-N 2.99Å; S83-F87 PolarHBondContact O-N 2.91Å
84	I	98	Very high	96.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-70.9	-42.4	177.9	-68.9	164.6	0	0	0	110.5	V68 F72 A80 M81 E86 F87 Y88 F137 I139 L142 L164	V68-I84 HydrophobicContact CG1-CD1 3.53Å; F72-I84 HydrophobicContact CD2-CD1 4.45Å; F72-I84 HydrophobicContact CE2-CD1 3.6Å; F72-I84 HydrophobicContact CZ-CD1 4.4Å; A80-I84 WeakPolarHBondContact O-CB 3.32Å; A80-I84 WeakPolarHBondContact O-CG1 3.36Å; A80-I84 PolarHBondContact O-N 3.4Å; M81-I84 PolarHBondContact O-N 3.42Å; I84-E86 VanDerWaalsContact C-N 3.26Å; I84-E86 PolarHBondContact O-N 3Å; I84-F87 WeakPolarHBondContact O-CB 3.48Å; I84-F87 PolarHBondContact O-N 3Å; I84-F87 VanDerWaalsContact O-N 3.13Å; I84-Y88 HydrophobicContact CG2-CD2 3.84Å; I84-Y88 HydrophobicContact CG2-CE2 3.84Å; I84-Y88 WeakPolarHBondContact O-CD2 2.85Å; I84-Y88 PolarHBondContact O-N 3.32Å; I84-F137 HydrophobicContact CD1-CE1 4.38Å; I84-F137 HydrophobicContact CD1-CZ 3.97Å; I84-F137 HydrophobicContact CG1-CE1 4.23Å; I84-F137 HydrophobicContact CG1-CZ 4.24Å; I84-I139 HydrophobicContact CG1-CD1 3.72Å; I84-L142 HydrophobicContact CG1-CD1 4.42Å; I84-L164 HydrophobicContact CG2-CD1 3.69Å; I84-L164 HydrophobicContact CG2-CD2 4.03Å
85	L	97.9	Very high	96.8	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-59.8	-39.8	173.2	-71	169.4	0	0	0	111.4	M81 Y88 L89 F117 L120 K121 I168	M81-L85 HydrophobicContact CG-CD1 3.71Å; M81-L85 HydrophobicContact CG-CG 4.28Å; M81-L85 VanDerWaalsContact O-CB 3.29Å; M81-L85 WeakPolarHBondContact O-CB 3.47Å; M81-L85 WeakPolarHBondContact O-CD1 3.41Å; M81-L85 WeakPolarHBondContact O-CG 3.48Å; M81-L85 PolarHBondContact O-N 3.4Å; L85-Y88 PolarHBondContact O-N 3.03Å; L85-L89 VanDerWaalsContact O-CB 3.31Å; L85-L89 WeakPolarHBondContact O-CB 3.32Å; L85-L89 WeakPolarHBondContact O-CD1 3.33Å; L85-L89 VanDerWaalsContact O-CG 3.22Å; L85-L89 WeakPolarHBondContact O-CG 3.36Å; L85-L89 PolarHBondContact O-N 3.24Å; L85-F117 HydrophobicContact CD2-CB 4.18Å; L85-F117 HydrophobicContact CD2-CD1 4.19Å; L85-F117 HydrophobicContact CD2-CD2 3.85Å; L85-F117 HydrophobicContact CD2-CE2 4.22Å; L85-F117 HydrophobicContact CD2-CG 3.83Å; L85-L120 HydrophobicContact CD1-CB 4.39Å; L85-L120 HydrophobicContact CD1-CD2 3.79Å; L85-L120 HydrophobicContact CD1-CG 3.68Å; L85-L120 HydrophobicContact CD2-CD2 3.88Å; L85-L120 HydrophobicContact CD2-CG 4.48Å; L85-L120 HydrophobicContact CG-CD2 4.45Å; L85-K121 HydrophobicContact CB-CB 4.22Å; L85-K121 HydrophobicContact CD1-CB 4.16Å; L85-I168 HydrophobicContact CD2-CD1 4.36Å
86	E	97.8	Very high	96.9	Very high	89 Å²	89	22.9 Å²	22.9	42%	0.416	13%	0.13	S	C	.	.	H	α-helix	trans	-61.2	-46.3	173.1	-179.3	68.8	113.8	0	0	112.3	N82 S83 I84 Y88 L89 S90 K121	N82-E86 PolarHBondContact O-N 2.93Å; N82-E86 VanDerWaalsContact O-N 3.08Å; S83-E86 WeakPolarHBondContact O-CB 3.07Å; S83-E86 PolarHBondContact O-N 2.99Å; I84-E86 VanDerWaalsContact C-N 3.26Å; I84-E86 PolarHBondContact O-N 3Å; E86-Y88 VanDerWaalsContact C-N 3.34Å; E86-Y88 PolarHBondContact O-N 3.44Å; E86-L89 PolarHBondContact O-N 2.9Å; E86-S90 VanDerWaalsContact O-CB 3.26Å; E86-S90 WeakPolarHBondContact O-CB 3.4Å; E86-S90 PolarHBondContact O-N 3.31Å; E86-S90 PolarHBondContact O-OG 3.3Å; E86-K121 IonicContact OE1-NZ 3.93Å; E86-K121 PolarHBondContact OE1-NZ 2.99Å; E86-K121 IonicContact OE2-NZ 2.93Å; E86-K121 PolarHBondContact OE2-NZ 3.46Å
87	F	98.3	Very high	96.8	Very high	10 Å²	10	21.5 Å²	21.5	4%	0.044	13%	0.126	C	C	.	.	H	α-helix	trans	-57.3	-47.1	178	165.8	-103.2	0	0	0	111.6	L63 S83 I84 T91 V92 L142 N143 Y146	L63-F87 HydrophobicContact CD2-CE1 4.49Å; S83-F87 PolarHBondContact O-N 2.91Å; I84-F87 WeakPolarHBondContact O-CB 3.48Å; I84-F87 PolarHBondContact O-N 3Å; I84-F87 VanDerWaalsContact O-N 3.13Å; F87-T91 HydrophobicContact CE2-CG2 4.25Å; F87-T91 VanDerWaalsContact O-CB 3.22Å; F87-T91 WeakPolarHBondContact O-CB 3.06Å; F87-T91 PolarHBondContact O-N 3.28Å; F87-V92 HydrophobicContact CD1-CG2 3.98Å; F87-V92 HydrophobicContact CE1-CG2 3.3Å; F87-V92 HydrophobicContact CE2-CG2 4.27Å; F87-V92 HydrophobicContact CZ-CG2 3.48Å; F87-V92 VanDerWaalsContact CZ-CG2 3.48Å; F87-V92 PolarHBondContact O-N 2.89Å; F87-L142 HydrophobicContact CD1-CD2 3.54Å; F87-L142 HydrophobicContact CD2-CD2 4.04Å; F87-L142 HydrophobicContact CE1-CD2 3.49Å; F87-L142 VanDerWaalsContact CE1-CD2 3.49Å; F87-L142 HydrophobicContact CE2-CD2 3.99Å; F87-L142 HydrophobicContact CG-CD2 3.82Å; F87-L142 HydrophobicContact CZ-CD2 3.72Å; F87-N143 WeakPolarHBondContact CD2-OD1 3.27Å; F87-Y146 HydrophobicContact CE1-CD2 4.47Å; F87-Y146 AromaticContact CE2-CD1 3.98Å; F87-Y146 HydrophobicContact CE2-CD1 3.98Å; F87-Y146 HydrophobicContact CE2-CD2 4.35Å; F87-Y146 AromaticContact CE2-CG 3.89Å; F87-Y146 HydrophobicContact CE2-CG 3.89Å; F87-Y146 HydrophobicContact CZ-CD1 4Å; F87-Y146 AromaticContact CZ-CD2 3.55Å; F87-Y146 HydrophobicContact CZ-CD2 3.55Å; F87-Y146 HydrophobicContact CZ-CE1 4.48Å; F87-Y146 HydrophobicContact CZ-CE2 4.02Å; F87-Y146 AromaticContact CZ-CG 3.5Å; F87-Y146 HydrophobicContact CZ-CG 3.5Å
88	Y	98.6	Very high	96.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	15%	0.149	C	C	.	.	I	π-helix	trans	-64.8	-44.7	177.6	-85.4	-99.3	0	0	0	112.6	L64 I84 L85 E86 V92 L93 F117 A157 L161 L164	L64-Y88 HydrophobicContact CD2-CE2 4.48Å; I84-Y88 HydrophobicContact CG2-CD2 3.84Å; I84-Y88 HydrophobicContact CG2-CE2 3.84Å; I84-Y88 WeakPolarHBondContact O-CD2 2.85Å; I84-Y88 PolarHBondContact O-N 3.32Å; L85-Y88 PolarHBondContact O-N 3.03Å; E86-Y88 VanDerWaalsContact C-N 3.34Å; E86-Y88 PolarHBondContact O-N 3.44Å; Y88-V92 HydrophobicContact CD1-CB 3.87Å; Y88-V92 HydrophobicContact CD1-CG1 3.92Å; Y88-V92 HydrophobicContact CD1-CG2 4.15Å; Y88-V92 HydrophobicContact CE1-CB 4.37Å; Y88-V92 HydrophobicContact CE1-CG1 4.05Å; Y88-V92 HydrophobicContact CE1-CG2 4.4Å; Y88-V92 HydrophobicContact CG-CB 4.29Å; Y88-V92 HydrophobicContact CG-CG2 4.3Å; Y88-V92 PolarHBondContact O-N 2.58Å; Y88-L93 WeakPolarHBondContact O-CB 3.48Å; Y88-L93 WeakPolarHBondContact O-CG 3.2Å; Y88-L93 PolarHBondContact O-N 2.92Å; Y88-F117 AromaticContact CD1-CE2 4Å; Y88-F117 HydrophobicContact CD1-CE2 4Å; Y88-F117 HydrophobicContact CG-CD2 4.46Å; Y88-F117 AromaticContact CG-CE2 3.92Å; Y88-F117 HydrophobicContact CG-CE2 3.92Å; Y88-A157 HydrophobicContact CE1-CB 4.22Å; Y88-A157 PolarHBondContact OH-O 3.29Å; Y88-L161 HydrophobicContact CD1-CD2 3.94Å; Y88-L161 HydrophobicContact CE1-CD2 3.53Å; Y88-L161 HydrophobicContact CE1-CG 4.28Å; Y88-L164 HydrophobicContact CD2-CD2 3.86Å; Y88-L164 HydrophobicContact CE1-CD2 4.29Å; Y88-L164 HydrophobicContact CE2-CD2 3.6Å; Y88-L164 HydrophobicContact CG-CD2 4.33Å
89	L	98.6	Very high	96	Very high	27 Å²	27	26.6 Å²	26.6	14%	0.141	17%	0.165	C	C	.	.	I	π-helix	trans	-69.7	-36	-177.5	-73.2	167.6	0	0	0	113.4	L85 E86 L93 P94 Q114 F117 D118 K121	L85-L89 VanDerWaalsContact O-CB 3.31Å; L85-L89 WeakPolarHBondContact O-CB 3.32Å; L85-L89 WeakPolarHBondContact O-CD1 3.33Å; L85-L89 VanDerWaalsContact O-CG 3.22Å; L85-L89 WeakPolarHBondContact O-CG 3.36Å; L85-L89 PolarHBondContact O-N 3.24Å; E86-L89 PolarHBondContact O-N 2.9Å; L89-L93 HydrophobicContact CD2-CD1 4.11Å; L89-P94 VanDerWaalsContact O-CD 3.31Å; L89-P94 WeakPolarHBondContact O-CD 3.41Å; L89-P94 VanDerWaalsContact O-CG 3.23Å; L89-P94 WeakPolarHBondContact O-CG 3.47Å; L89-Q114 HydrophobicContact CD2-CG 3.96Å; L89-F117 HydrophobicContact CD1-CB 4.42Å; L89-F117 HydrophobicContact CD2-CB 3.76Å; L89-F117 HydrophobicContact CG-CB 4.1Å; L89-D118 HydrophobicContact CD1-CB 4.42Å; L89-D118 HydrophobicContact CD2-CB 3.99Å; L89-K121 HydrophobicContact CD1-CB 4.02Å; L89-K121 HydrophobicContact CD1-CD 3.7Å; L89-K121 HydrophobicContact CD1-CG 4.49Å
90	S	98	Very high	95.3	Very high	68 Å²	68	25.9 Å²	25.9	48%	0.476	16%	0.162	S	C	.	.	I	π-helix	trans	-87.6	-25	-177.2	62.1	0	0	0	0	113.6	E86	E86-S90 VanDerWaalsContact O-CB 3.26Å; E86-S90 WeakPolarHBondContact O-CB 3.4Å; E86-S90 PolarHBondContact O-N 3.31Å; E86-S90 PolarHBondContact O-OG 3.3Å
91	T	97.7	Very high	94.2	Very high	50 Å²	50	30 Å²	30	31%	0.307	19%	0.187	S	C	.	.	I	π-helix	trans	-126.7	-62.6	-167.9	-51	0	0	0	0	112.2	F87 T95 Y146	F87-T91 HydrophobicContact CE2-CG2 4.25Å; F87-T91 VanDerWaalsContact O-CB 3.22Å; F87-T91 WeakPolarHBondContact O-CB 3.06Å; F87-T91 PolarHBondContact O-N 3.28Å; T91-T95 WeakPolarHBondContact O-CB 3.31Å; T91-T95 PolarHBondContact O-N 2.97Å; T91-T95 PolarHBondContact O-OG1 3.09Å; T91-Y146 HydrophobicContact CG2-CD1 4.33Å; T91-Y146 HydrophobicContact CG2-CE1 3.65Å
92	V	98.3	Very high	92.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	23%	0.228	C	C	.	.	I	π-helix	trans	-69.5	-54.5	-169.4	-178.5	0	0	0	0	112	F87 Y88 T95 A96 Y146 V154 A157 M158	F87-V92 HydrophobicContact CD1-CG2 3.98Å; F87-V92 HydrophobicContact CE1-CG2 3.3Å; F87-V92 HydrophobicContact CE2-CG2 4.27Å; F87-V92 HydrophobicContact CZ-CG2 3.48Å; F87-V92 VanDerWaalsContact CZ-CG2 3.48Å; F87-V92 PolarHBondContact O-N 2.89Å; Y88-V92 HydrophobicContact CD1-CB 3.87Å; Y88-V92 HydrophobicContact CD1-CG1 3.92Å; Y88-V92 HydrophobicContact CD1-CG2 4.15Å; Y88-V92 HydrophobicContact CE1-CB 4.37Å; Y88-V92 HydrophobicContact CE1-CG1 4.05Å; Y88-V92 HydrophobicContact CE1-CG2 4.4Å; Y88-V92 HydrophobicContact CG-CB 4.29Å; Y88-V92 HydrophobicContact CG-CG2 4.3Å; Y88-V92 PolarHBondContact O-N 2.58Å; V92-T95 WeakPolarHBondContact O-CB 3.43Å; V92-T95 PolarHBondContact O-N 3.34Å; V92-A96 WeakPolarHBondContact O-CB 3.11Å; V92-A96 PolarHBondContact O-N 3.47Å; V92-Y146 HydrophobicContact CG2-CE2 3.92Å; V92-V154 HydrophobicContact CG1-CG2 4.45Å; V92-A157 HydrophobicContact CB-CB 4.35Å; V92-A157 HydrophobicContact CG1-CB 3.58Å; V92-A157 HydrophobicContact CG2-CB 3.77Å; V92-M158 HydrophobicContact CG1-CG 3.86Å; V92-M158 HydrophobicContact CG1-SD 3.73Å
93	L	98.1	Very high	92.2	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-66.1	-43	-173.7	-68.7	163.5	0	0	0	112.7	Y88 L89 T95 A96 V97 V110 I113 Q114 F117 M158	Y88-L93 WeakPolarHBondContact O-CB 3.48Å; Y88-L93 WeakPolarHBondContact O-CG 3.2Å; Y88-L93 PolarHBondContact O-N 2.92Å; L89-L93 HydrophobicContact CD2-CD1 4.11Å; L93-T95 VanDerWaalsContact C-N 3.28Å; L93-T95 PolarHBondContact O-N 2.83Å; L93-A96 WeakPolarHBondContact O-CB 3.35Å; L93-A96 PolarHBondContact O-N 3.32Å; L93-V97 WeakPolarHBondContact O-CG2 3.47Å; L93-V97 PolarHBondContact O-N 3.31Å; L93-V110 HydrophobicContact CD2-CG1 4Å; L93-I113 HydrophobicContact CD2-CG2 4.01Å; L93-Q114 HydrophobicContact CB-CB 4.41Å; L93-Q114 HydrophobicContact CB-CG 4.39Å; L93-Q114 HydrophobicContact CD1-CB 3.97Å; L93-Q114 HydrophobicContact CD1-CG 4.17Å; L93-F117 HydrophobicContact CD1-CB 4.43Å; L93-F117 HydrophobicContact CD1-CD2 3.78Å; L93-F117 HydrophobicContact CD1-CE2 4.47Å; L93-F117 HydrophobicContact CD1-CG 4.37Å; L93-M158 HydrophobicContact CD2-CE 4.09Å; L93-M158 HydrophobicContact CD2-SD 3.87Å
94	P	96.5	Very high	91.5	Very high	56 Å²	56	43.7 Å²	43.7	36%	0.364	26%	0.261	S	S	.	.	H	α-helix	trans	-58.1	-40.6	171.8	-26.5	36.1	0	0	0	112.9	L89 A98	L89-P94 VanDerWaalsContact O-CD 3.31Å; L89-P94 WeakPolarHBondContact O-CD 3.41Å; L89-P94 VanDerWaalsContact O-CG 3.23Å; L89-P94 WeakPolarHBondContact O-CG 3.47Å; P94-A98 WeakPolarHBondContact O-CB 3.42Å; P94-A98 PolarHBondContact O-N 2.98Å; P94-A98 VanDerWaalsContact O-N 3.07Å
95	T	96.2	Very high	91.1	Very high	59 Å²	59	47.1 Å²	47.1	36%	0.362	29%	0.285	S	S	.	.	H	α-helix	trans	-66.2	-41.2	176.3	-54.7	0	0	0	0	111.3	T91 V92 L93 A98 S99 V154	T91-T95 WeakPolarHBondContact O-CB 3.31Å; T91-T95 PolarHBondContact O-N 2.97Å; T91-T95 PolarHBondContact O-OG1 3.09Å; V92-T95 WeakPolarHBondContact O-CB 3.43Å; V92-T95 PolarHBondContact O-N 3.34Å; L93-T95 VanDerWaalsContact C-N 3.28Å; L93-T95 PolarHBondContact O-N 2.83Å; T95-A98 WeakPolarHBondContact O-CB 3.31Å; T95-A98 PolarHBondContact O-N 3.08Å; T95-S99 PolarHBondContact O-N 3.02Å; T95-V154 HydrophobicContact CG2-CB 3.96Å; T95-V154 HydrophobicContact CG2-CG1 4.33Å; T95-V154 HydrophobicContact CG2-CG2 4.01Å
96	A	95.8	Very high	90.9	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-64	-43.3	178	0	0	0	0	0	111.9	Y53 V92 L93 A98 S99 V100 V110 V154 M158	Y53-A96 HydrophobicContact CE1-CB 4.42Å; Y53-A96 WeakPolarHBondContact OH-CB 3.21Å; V92-A96 WeakPolarHBondContact O-CB 3.11Å; V92-A96 PolarHBondContact O-N 3.47Å; L93-A96 WeakPolarHBondContact O-CB 3.35Å; L93-A96 PolarHBondContact O-N 3.32Å; A96-A98 VanDerWaalsContact C-N 3.31Å; A96-A98 PolarHBondContact O-N 3.22Å; A96-S99 PolarHBondContact O-N 3.13Å; A96-S99 PolarHBondContact O-OG 2.01Å; A96-V100 WeakPolarHBondContact O-CG2 3.46Å; A96-V100 PolarHBondContact O-N 3.41Å; A96-V110 HydrophobicContact CB-CG1 3.91Å; A96-V154 HydrophobicContact CB-CG2 3.78Å; A96-M158 HydrophobicContact CB-CE 4.03Å; A96-M158 HydrophobicContact CB-CG 3.91Å; A96-M158 HydrophobicContact CB-SD 3.85Å
97	V	93.6	Very high	90.7	Very high	23 Å²	23	46.7 Å²	46.7	14%	0.139	28%	0.282	C	S	.	.	H	α-helix	trans	-62.4	-41	174.3	171.6	0	0	0	0	110.8	L93 S99 T101 K107 V110 E111	L93-V97 WeakPolarHBondContact O-CG2 3.47Å; L93-V97 PolarHBondContact O-N 3.31Å; V97-S99 VanDerWaalsContact C-N 3.35Å; V97-S99 PolarHBondContact O-N 2.75Å; V97-T101 WeakPolarHBondContact O-CG2 3.48Å; V97-T101 PolarHBondContact O-N 3.19Å; V97-K107 HydrophobicContact CG1-CG 4.48Å; V97-V110 HydrophobicContact CG2-CB 4.26Å; V97-V110 HydrophobicContact CG2-CG1 3.61Å; V97-E111 HydrophobicContact CG2-CG 4.2Å
98	A	90.1	Very high	90.6	Very high	59 Å²	59	50.4 Å²	50.4	49%	0.488	30%	0.302	S	S	.	.	H	α-helix	trans	-63.5	-38.7	177.1	0	0	0	0	0	112.3	P94 T95 A96 T101	P94-A98 WeakPolarHBondContact O-CB 3.42Å; P94-A98 PolarHBondContact O-N 2.98Å; P94-A98 VanDerWaalsContact O-N 3.07Å; T95-A98 WeakPolarHBondContact O-CB 3.31Å; T95-A98 PolarHBondContact O-N 3.08Å; A96-A98 VanDerWaalsContact C-N 3.31Å; A96-A98 PolarHBondContact O-N 3.22Å; A98-T101 WeakPolarHBondContact O-CG2 3.47Å; A98-T101 PolarHBondContact O-OG1 3.01Å
99	S	83.9	Confident	90.6	Very high	51 Å²	51	52 Å²	52	36%	0.357	31%	0.31	S	S	.	.	H	α-helix	trans	-74	-26.1	-178	69.4	0	0	0	0	114.2	T95 A96 V97	T95-S99 PolarHBondContact O-N 3.02Å; A96-S99 PolarHBondContact O-N 3.13Å; A96-S99 PolarHBondContact O-OG 2.01Å; V97-S99 VanDerWaalsContact C-N 3.35Å; V97-S99 PolarHBondContact O-N 2.75Å
100	V	80.9	Confident	90.5	Very high	4 Å²	4	50.8 Å²	50.8	2%	0.024	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	17.3	178.5	-55.1	0	0	0	0	113.4	F52 A96 I102 D103 L106 K107	F52-V100 HydrophobicContact CD1-CG1 4.37Å; F52-V100 HydrophobicContact CE1-CG1 3.71Å; F52-V100 HydrophobicContact CZ-CG1 4.12Å; A96-V100 WeakPolarHBondContact O-CG2 3.46Å; A96-V100 PolarHBondContact O-N 3.41Å; V100-I102 PolarHBondContact O-N 3.34Å; V100-D103 CarbonylContact O-C 3.49Å; V100-D103 PolarHBondContact O-N 2.91Å; V100-L106 HydrophobicContact CB-CB 4.21Å; V100-L106 HydrophobicContact CG1-CB 4.27Å; V100-L106 HydrophobicContact CG1-CD1 4.27Å; V100-L106 HydrophobicContact CG2-CB 4.46Å; V100-K107 HydrophobicContact CG2-CB 3.96Å
101	T	71.3	Confident	90.4	Very high	87 Å²	87	51.5 Å²	51.5	53%	0.534	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-26.2	-172.4	32.4	0	0	0	0	115.3	V97 A98	V97-T101 WeakPolarHBondContact O-CG2 3.48Å; V97-T101 PolarHBondContact O-N 3.19Å; A98-T101 WeakPolarHBondContact O-CG2 3.47Å; A98-T101 PolarHBondContact O-OG1 3.01Å
102	I	68.1	Low	90.4	Very high	165 Å²	165	50.1 Å²	50.1	85%	0.846	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-31	177.7	-58.4	172.8	0	0	0	111.4	V100 T104	V100-I102 PolarHBondContact O-N 3.34Å; I102-T104 PolarHBondContact O-N 2.58Å
103	D	81.4	Confident	90.5	Very high	67 Å²	67	50.1 Å²	50.1	36%	0.358	29%	0.291	S	S	.	.			trans	-90.8	89.6	179.4	-165.7	-27.5	0	0	0	110.7	V100 S105 L106 K107	V100-D103 CarbonylContact O-C 3.49Å; V100-D103 PolarHBondContact O-N 2.91Å; D103-S105 PolarHBondContact O-N 3.24Å; D103-S105 VanDerWaalsContact O-N 3.16Å; D103-S105 WeakPolarHBondContact OD1-CA 3.44Å; D103-S105 VanDerWaalsContact OD1-CB 3.31Å; D103-S105 WeakPolarHBondContact OD1-CB 3.28Å; D103-S105 PolarHBondContact OD1-N 3.28Å; D103-S105 PolarHBondContact OD1-OG 3.16Å; D103-L106 HydrophobicContact CB-CB 4.34Å; D103-L106 HydrophobicContact CB-CD1 4.13Å; D103-L106 HydrophobicContact CB-CG 4.23Å; D103-L106 PolarHBondContact O-N 3.21Å; D103-L106 PolarHBondContact OD1-N 3.2Å; D103-L106 WeakPolarHBondContact OD2-CD1 3.21Å; D103-L106 WeakPolarHBondContact OD2-CG 3.35Å; D103-K107 WeakPolarHBondContact O-CB 3.41Å; D103-K107 PolarHBondContact O-N 3.36Å
104	T	83.3	Confident	90.5	Very high	101 Å²	101	53.4 Å²	53.4	62%	0.62	31%	0.306	S	S	*	.	H	α-helix	trans	-60.5	-25.5	178.5	-51.8	0	0	0	0	111.9	I102 I108	I102-T104 PolarHBondContact O-N 2.58Å; T104-I108 WeakPolarHBondContact O-CG2 3.47Å; T104-I108 PolarHBondContact O-N 3.24Å
105	S	88.8	Confident	90.5	Very high	72 Å²	72	56.2 Å²	56.2	50%	0.503	32%	0.315	S	S	.	.	H	α-helix	trans	-74.4	-34.9	-179	78.6	0	0	0	0	112.7	D103 I108 H109	D103-S105 PolarHBondContact O-N 3.24Å; D103-S105 VanDerWaalsContact O-N 3.16Å; D103-S105 WeakPolarHBondContact OD1-CA 3.44Å; D103-S105 VanDerWaalsContact OD1-CB 3.31Å; D103-S105 WeakPolarHBondContact OD1-CB 3.28Å; D103-S105 PolarHBondContact OD1-N 3.28Å; D103-S105 PolarHBondContact OD1-OG 3.16Å; S105-I108 VanDerWaalsContact O-CG1 3.24Å; S105-I108 WeakPolarHBondContact O-CG1 3.38Å; S105-H109 PolarHBondContact O-CD2 3.19Å
106	L	93.1	Very high	90.6	Very high	17 Å²	17	54 Å²	54	9%	0.089	30%	0.301	C	S	.	.	H	α-helix	trans	-77.7	-41.6	173.7	-62.1	177.9	0	0	0	111.2	I49 F52 V100 D103 I108 H109 V110	I49-L106 HydrophobicContact CB-CD2 4.42Å; I49-L106 HydrophobicContact CG2-CB 4.3Å; I49-L106 HydrophobicContact CG2-CD2 3.94Å; F52-L106 HydrophobicContact CB-CD1 4.06Å; F52-L106 HydrophobicContact CD1-CD1 4.1Å; F52-L106 HydrophobicContact CD2-CD1 3.86Å; F52-L106 HydrophobicContact CE2-CD1 4.33Å; F52-L106 HydrophobicContact CG-CD1 3.73Å; V100-L106 HydrophobicContact CB-CB 4.21Å; V100-L106 HydrophobicContact CG1-CB 4.27Å; V100-L106 HydrophobicContact CG1-CD1 4.27Å; V100-L106 HydrophobicContact CG2-CB 4.46Å; D103-L106 HydrophobicContact CB-CB 4.34Å; D103-L106 HydrophobicContact CB-CD1 4.13Å; D103-L106 HydrophobicContact CB-CG 4.23Å; D103-L106 PolarHBondContact O-N 3.21Å; D103-L106 PolarHBondContact OD1-N 3.2Å; D103-L106 WeakPolarHBondContact OD2-CD1 3.21Å; D103-L106 WeakPolarHBondContact OD2-CG 3.35Å; L106-I108 VanDerWaalsContact C-N 3.33Å; L106-I108 PolarHBondContact O-N 2.88Å; L106-H109 PolarHBondContact O-N 3.42Å; L106-H109 VanDerWaalsContact O-N 3.09Å; L106-V110 PolarHBondContact O-N 3.18Å
107	K	94.8	Very high	90.7	Very high	64 Å²	64	54 Å²	54	28%	0.278	30%	0.301	S	S	.	.	H	α-helix	trans	-53.3	-46.6	-176.2	-177.2	175.1	168.4	179.5	0	113.1	V97 V100 D103 H109 V110 E111	V97-K107 HydrophobicContact CG1-CG 4.48Å; V100-K107 HydrophobicContact CG2-CB 3.96Å; D103-K107 WeakPolarHBondContact O-CB 3.41Å; D103-K107 PolarHBondContact O-N 3.36Å; K107-H109 PolarHBondContact O-N 3.19Å; K107-V110 PolarHBondContact O-N 3.08Å; K107-V110 VanDerWaalsContact O-N 3.15Å; K107-E111 WeakPolarHBondContact CE-OE1 3.16Å; K107-E111 HydrophobicContact CG-CG 4.3Å; K107-E111 IonicContact NZ-OE1 3.54Å; K107-E111 WeakPolarHBondContact O-CG 3.5Å; K107-E111 PolarHBondContact O-N 3.05Å
108	I	95.8	Very high	90.9	Very high	89 Å²	89	56 Å²	56	46%	0.456	31%	0.311	S	S	.	.	H	α-helix	trans	-58.7	-32.7	-178.3	56.4	167	0	0	0	112.9	T104 S105 L106 S112	T104-I108 WeakPolarHBondContact O-CG2 3.47Å; T104-I108 PolarHBondContact O-N 3.24Å; S105-I108 VanDerWaalsContact O-CG1 3.24Å; S105-I108 WeakPolarHBondContact O-CG1 3.38Å; L106-I108 VanDerWaalsContact C-N 3.33Å; L106-I108 PolarHBondContact O-N 2.88Å; I108-S112 WeakPolarHBondContact O-CB 3.29Å; I108-S112 PolarHBondContact O-N 3.06Å
109	H	97.6	Very high	91.2	Very high	34 Å²	34	55.6 Å²	55.6	16%	0.157	30%	0.299	C	S	.	.	H	α-helix	trans	-79.6	-36.8	-179.8	-67.2	-58.1	0	0	0	111.4	D45 R48 I49 S105 L106 K107 S112 I113	D45-H109 HydrophobicContact CB-CB 4.2Å; D45-H109 IonicContact OD1-CE1 3.35Å; D45-H109 IonicContact OD1-CG 2.58Å; D45-H109 IonicContact OD1-ND1 3.32Å; D45-H109 PolarHBondContact OD1-ND1 3.2Å; R48-H109 HydrophobicContact CB-CB 4.44Å; R48-H109 WeakPolarHBondContact CB-CD2 3.4Å; R48-H109 WeakPolarHBondContact CB-NE2 3.41Å; R48-H109 WeakPolarHBondContact CG-NE2 3.49Å; I49-H109 HydrophobicContact CG2-CB 3.62Å; S105-H109 PolarHBondContact O-CD2 3.19Å; L106-H109 PolarHBondContact O-N 3.42Å; L106-H109 VanDerWaalsContact O-N 3.09Å; K107-H109 PolarHBondContact O-N 3.19Å; H109-S112 PolarHBondContact O-N 3.15Å; H109-I113 VanDerWaalsContact O-CG1 3.31Å; H109-I113 WeakPolarHBondContact O-CG1 3.22Å; H109-I113 PolarHBondContact O-N 3.42Å
110	V	97.4	Very high	91.7	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-62.9	-44.1	172	-176.9	0	0	0	0	110.6	I49 Y53 L93 A96 V97 L106 K107 I113 Q114 M158	I49-V110 HydrophobicContact CD1-CG2 4.07Å; I49-V110 HydrophobicContact CG2-CG2 4.37Å; Y53-V110 HydrophobicContact CE2-CG2 4.22Å; L93-V110 HydrophobicContact CD2-CG1 4Å; A96-V110 HydrophobicContact CB-CG1 3.91Å; V97-V110 HydrophobicContact CG2-CB 4.26Å; V97-V110 HydrophobicContact CG2-CG1 3.61Å; L106-V110 PolarHBondContact O-N 3.18Å; K107-V110 PolarHBondContact O-N 3.08Å; K107-V110 VanDerWaalsContact O-N 3.15Å; V110-I113 PolarHBondContact O-N 3.49Å; V110-Q114 WeakPolarHBondContact O-CB 3.31Å; V110-Q114 PolarHBondContact O-N 3.16Å; V110-M158 HydrophobicContact CG1-CE 4.12Å; V110-M158 HydrophobicContact CG2-CE 4.14Å
111	E	96.8	Very high	92.4	Very high	83 Å²	83	54.8 Å²	54.8	39%	0.388	29%	0.288	S	S	.	.	H	α-helix	trans	-64.7	-39.4	177.2	-71.8	177.8	154.4	0	0	112.2	V97 K107 Q114 Q115	V97-E111 HydrophobicContact CG2-CG 4.2Å; K107-E111 WeakPolarHBondContact CE-OE1 3.16Å; K107-E111 HydrophobicContact CG-CG 4.3Å; K107-E111 IonicContact NZ-OE1 3.54Å; K107-E111 WeakPolarHBondContact O-CG 3.5Å; K107-E111 PolarHBondContact O-N 3.05Å; E111-Q114 WeakPolarHBondContact O-CB 3.44Å; E111-Q114 PolarHBondContact O-N 3.18Å; E111-Q115 PolarHBondContact O-N 3.26Å
112	S	97.8	Very high	93.5	Very high	22 Å²	22	55.7 Å²	55.7	15%	0.154	28%	0.282	C	S	.	.	H	α-helix	trans	-61.9	-44.8	173.8	-175.1	0	0	0	0	111.9	D45 I108 H109 Q114 Q115 I116	D45-S112 VanDerWaalsContact OD2-CB 3.26Å; D45-S112 WeakPolarHBondContact OD2-CB 3.49Å; D45-S112 PolarHBondContact OD2-OG 3.29Å; I108-S112 WeakPolarHBondContact O-CB 3.29Å; I108-S112 PolarHBondContact O-N 3.06Å; H109-S112 PolarHBondContact O-N 3.15Å; S112-Q114 VanDerWaalsContact C-N 3.33Å; S112-Q114 PolarHBondContact O-N 3.38Å; S112-Q115 PolarHBondContact O-N 3.41Å; S112-I116 WeakPolarHBondContact O-CG1 3.4Å; S112-I116 PolarHBondContact O-N 3.2Å; S112-I116 VanDerWaalsContact O-N 3.09Å
113	I	98.5	Very high	94.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-60	-45.1	174	-70.6	163	0	0	0	110.7	L42 D45 I49 L93 H109 V110 Q115 I116 F117 L161	L42-I113 HydrophobicContact CD2-CB 4.23Å; L42-I113 HydrophobicContact CD2-CG1 4.09Å; L42-I113 HydrophobicContact CD2-CG2 3.98Å; D45-I113 HydrophobicContact CB-CD1 4.13Å; D45-I113 HydrophobicContact CB-CG1 3.85Å; I49-I113 HydrophobicContact CD1-CD1 3.51Å; I49-I113 HydrophobicContact CG1-CD1 4.49Å; L93-I113 HydrophobicContact CD2-CG2 4.01Å; H109-I113 VanDerWaalsContact O-CG1 3.31Å; H109-I113 WeakPolarHBondContact O-CG1 3.22Å; H109-I113 PolarHBondContact O-N 3.42Å; V110-I113 PolarHBondContact O-N 3.49Å; I113-Q115 VanDerWaalsContact C-N 3.34Å; I113-Q115 PolarHBondContact O-N 3.14Å; I113-I116 PolarHBondContact O-N 3.21Å; I113-F117 HydrophobicContact CG2-CD1 4.25Å; I113-F117 HydrophobicContact CG2-CE1 4.19Å; I113-F117 HydrophobicContact CG2-CG 4.5Å; I113-F117 HydrophobicContact CG2-CZ 4.35Å; I113-F117 WeakPolarHBondContact O-CB 3.45Å; I113-F117 PolarHBondContact O-N 2.76Å; I113-L161 HydrophobicContact CD1-CD1 4.23Å
114	Q	98.1	Very high	95.2	Very high	68 Å²	68	45.4 Å²	45.4	32%	0.318	23%	0.229	S	C	.	.	H	α-helix	trans	-59	-44.8	177.8	-177.2	-177.8	-52.2	0	0	111.9	L89 L93 V110 E111 S112 I116 F117 D118	L89-Q114 HydrophobicContact CD2-CG 3.96Å; L93-Q114 HydrophobicContact CB-CB 4.41Å; L93-Q114 HydrophobicContact CB-CG 4.39Å; L93-Q114 HydrophobicContact CD1-CB 3.97Å; L93-Q114 HydrophobicContact CD1-CG 4.17Å; V110-Q114 WeakPolarHBondContact O-CB 3.31Å; V110-Q114 PolarHBondContact O-N 3.16Å; E111-Q114 WeakPolarHBondContact O-CB 3.44Å; E111-Q114 PolarHBondContact O-N 3.18Å; S112-Q114 VanDerWaalsContact C-N 3.33Å; S112-Q114 PolarHBondContact O-N 3.38Å; Q114-I116 PolarHBondContact O-N 3.36Å; Q114-F117 PolarHBondContact O-N 3.05Å; Q114-D118 VanDerWaalsContact O-CB 3.32Å; Q114-D118 WeakPolarHBondContact O-CB 3.35Å; Q114-D118 PolarHBondContact O-N 2.95Å
115	Q	98	Very high	95.6	Very high	116 Å²	116	45.7 Å²	45.7	54%	0.542	22%	0.223	S	C	.	.	H	α-helix	trans	-60.1	-45.6	177	-176	-176.5	-24.5	0	0	111.6	E111 S112 I113 F117 D118 E119	E111-Q115 PolarHBondContact O-N 3.26Å; S112-Q115 PolarHBondContact O-N 3.41Å; I113-Q115 VanDerWaalsContact C-N 3.34Å; I113-Q115 PolarHBondContact O-N 3.14Å; Q115-F117 PolarHBondContact O-N 3.33Å; Q115-D118 PolarHBondContact O-N 3.45Å; Q115-E119 PolarHBondContact NE2-OE1 3.49Å; Q115-E119 WeakPolarHBondContact O-CG 3.31Å; Q115-E119 PolarHBondContact O-N 2.9Å
116	I	97.6	Very high	95.8	Very high	13 Å²	13	48.2 Å²	48.2	7%	0.067	22%	0.221	C	C	.	.	H	α-helix	trans	-67.2	-38.1	-179.7	-63.2	164.7	0	0	0	111.1	R38 R41 L42 S112 I113 Q114 D118 E119 L120	R38-I116 HydrophobicContact CB-CG2 4.08Å; R41-I116 HydrophobicContact CB-CD1 3.94Å; R41-I116 HydrophobicContact CG-CD1 3.5Å; L42-I116 HydrophobicContact CD1-CG2 3.87Å; L42-I116 HydrophobicContact CD2-CB 3.88Å; L42-I116 HydrophobicContact CD2-CD1 4.08Å; L42-I116 HydrophobicContact CD2-CG2 3.85Å; L42-I116 HydrophobicContact CG-CB 4.26Å; L42-I116 HydrophobicContact CG-CD1 4.15Å; L42-I116 HydrophobicContact CG-CG2 3.72Å; S112-I116 WeakPolarHBondContact O-CG1 3.4Å; S112-I116 PolarHBondContact O-N 3.2Å; S112-I116 VanDerWaalsContact O-N 3.09Å; I113-I116 PolarHBondContact O-N 3.21Å; Q114-I116 PolarHBondContact O-N 3.36Å; I116-D118 VanDerWaalsContact C-N 3.33Å; I116-E119 PolarHBondContact O-N 3.42Å; I116-L120 VanDerWaalsContact O-CB 3.23Å; I116-L120 WeakPolarHBondContact O-CB 3.33Å; I116-L120 PolarHBondContact O-N 2.88Å
117	F	98.3	Very high	95.7	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-63.7	-40.3	175.6	-86.6	23.6	0	0	0	112	L42 L85 Y88 L89 L93 I113 Q114 Q115 L120 K121 L161 L164 F165	L42-F117 HydrophobicContact CD1-CD1 4.34Å; L42-F117 HydrophobicContact CD1-CE1 3.95Å; L42-F117 HydrophobicContact CD2-CD1 3.84Å; L42-F117 HydrophobicContact CD2-CE1 3.68Å; L42-F117 HydrophobicContact CG-CE1 4.48Å; L85-F117 HydrophobicContact CD2-CB 4.18Å; L85-F117 HydrophobicContact CD2-CD1 4.19Å; L85-F117 HydrophobicContact CD2-CD2 3.85Å; L85-F117 HydrophobicContact CD2-CE2 4.22Å; L85-F117 HydrophobicContact CD2-CG 3.83Å; Y88-F117 AromaticContact CD1-CE2 4Å; Y88-F117 HydrophobicContact CD1-CE2 4Å; Y88-F117 HydrophobicContact CG-CD2 4.46Å; Y88-F117 AromaticContact CG-CE2 3.92Å; Y88-F117 HydrophobicContact CG-CE2 3.92Å; L89-F117 HydrophobicContact CD1-CB 4.42Å; L89-F117 HydrophobicContact CD2-CB 3.76Å; L89-F117 HydrophobicContact CG-CB 4.1Å; L93-F117 HydrophobicContact CD1-CB 4.43Å; L93-F117 HydrophobicContact CD1-CD2 3.78Å; L93-F117 HydrophobicContact CD1-CE2 4.47Å; L93-F117 HydrophobicContact CD1-CG 4.37Å; I113-F117 HydrophobicContact CG2-CD1 4.25Å; I113-F117 HydrophobicContact CG2-CE1 4.19Å; I113-F117 HydrophobicContact CG2-CG 4.5Å; I113-F117 HydrophobicContact CG2-CZ 4.35Å; I113-F117 WeakPolarHBondContact O-CB 3.45Å; I113-F117 PolarHBondContact O-N 2.76Å; Q114-F117 PolarHBondContact O-N 3.05Å; Q115-F117 PolarHBondContact O-N 3.33Å; F117-L120 PolarHBondContact O-N 3.22Å; F117-K121 WeakPolarHBondContact O-CB 3.4Å; F117-K121 PolarHBondContact O-N 2.94Å; F117-L161 HydrophobicContact CE2-CD2 4.06Å; F117-L161 HydrophobicContact CZ-CD2 3.79Å; F117-L164 HydrophobicContact CE2-CD2 3.89Å; F117-L164 HydrophobicContact CZ-CD2 3.78Å; F117-F165 HydrophobicContact CE1-CD1 4.25Å; F117-F165 AromaticContact CE1-CE1 3.66Å; F117-F165 HydrophobicContact CE1-CE1 3.66Å; F117-F165 HydrophobicContact CZ-CD1 4.35Å; F117-F165 AromaticContact CZ-CE1 3.72Å; F117-F165 HydrophobicContact CZ-CE1 3.72Å
118	D	97.6	Very high	95.5	Very high	64 Å²	64	48.5 Å²	48.5	34%	0.342	22%	0.22	S	C	.	.	H	α-helix	trans	-66.6	-43.2	177.3	176.7	44.6	0	0	0	111.5	L89 Q114 Q115 I116 K121 R122	L89-D118 HydrophobicContact CD1-CB 4.42Å; L89-D118 HydrophobicContact CD2-CB 3.99Å; Q114-D118 VanDerWaalsContact O-CB 3.32Å; Q114-D118 WeakPolarHBondContact O-CB 3.35Å; Q114-D118 PolarHBondContact O-N 2.95Å; Q115-D118 PolarHBondContact O-N 3.45Å; I116-D118 VanDerWaalsContact C-N 3.33Å; D118-K121 PolarHBondContact O-N 2.91Å; D118-R122 WeakPolarHBondContact O-CG 3.23Å; D118-R122 PolarHBondContact O-N 3.13Å; D118-R122 IonicContact OD1-CZ 3.73Å; D118-R122 IonicContact OD1-NH1 3.37Å; D118-R122 PolarHBondContact OD1-NH1 2.85Å; D118-R122 IonicContact OD2-CZ 3.62Å; D118-R122 IonicContact OD2-NH1 2.83Å; D118-R122 PolarHBondContact OD2-NH1 3.5Å; D118-R122 IonicContact OD2-NH2 3.54Å; D118-R122 PolarHBondContact OD2-NH2 2.88Å
119	E	95.6	Very high	95.1	Very high	51 Å²	51	53.6 Å²	53.6	24%	0.238	24%	0.238	C	C	.	.	H	α-helix	trans	-59.5	-47.9	170.4	-72.6	173.5	-164.9	0	0	112.3	Q115 I116 K121 R122 D123	Q115-E119 PolarHBondContact NE2-OE1 3.49Å; Q115-E119 WeakPolarHBondContact O-CG 3.31Å; Q115-E119 PolarHBondContact O-N 2.9Å; I116-E119 PolarHBondContact O-N 3.42Å; E119-K121 PolarHBondContact O-N 3.4Å; E119-R122 WeakPolarHBondContact O-CB 3.45Å; E119-R122 PolarHBondContact O-N 2.92Å; E119-D123 PolarHBondContact O-N 3.4Å
120	L	94.9	Very high	94.5	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-59.7	-47.9	178.6	175.9	59.6	0	0	0	111.2	F31 F35 L85 I116 F117 R122 D123 V124 I168 L172	F31-L120 HydrophobicContact CE2-CD1 3.6Å; F31-L120 HydrophobicContact CZ-CD1 3.41Å; F31-L120 VanDerWaalsContact CZ-CD1 3.41Å; F35-L120 HydrophobicContact CD2-CD1 4.07Å; F35-L120 HydrophobicContact CE2-CD1 3.71Å; F35-L120 HydrophobicContact CE2-CD2 4.09Å; F35-L120 HydrophobicContact CE2-CG 4.48Å; L85-L120 HydrophobicContact CD1-CB 4.39Å; L85-L120 HydrophobicContact CD1-CD2 3.79Å; L85-L120 HydrophobicContact CD1-CG 3.68Å; L85-L120 HydrophobicContact CD2-CD2 3.88Å; L85-L120 HydrophobicContact CD2-CG 4.48Å; L85-L120 HydrophobicContact CG-CD2 4.45Å; I116-L120 VanDerWaalsContact O-CB 3.23Å; I116-L120 WeakPolarHBondContact O-CB 3.33Å; I116-L120 PolarHBondContact O-N 2.88Å; F117-L120 PolarHBondContact O-N 3.22Å; L120-R122 VanDerWaalsContact C-N 3.34Å; L120-R122 PolarHBondContact O-N 3.46Å; L120-D123 PolarHBondContact O-N 2.93Å; L120-V124 HydrophobicContact CD1-CG2 3.99Å; L120-V124 HydrophobicContact CG-CG2 4.41Å; L120-V124 WeakPolarHBondContact O-CB 3.25Å; L120-V124 WeakPolarHBondContact O-CG2 3.45Å; L120-V124 PolarHBondContact O-N 3.38Å; L120-I168 HydrophobicContact CD2-CD1 3.92Å; L120-I168 HydrophobicContact CD2-CG2 3.74Å; L120-L172 HydrophobicContact CD1-CD1 3.94Å
121	K	95.4	Very high	94	Very high	37 Å²	37	54.2 Å²	54.2	16%	0.161	24%	0.244	C	C	.	.	H	α-helix	trans	-60	-44.6	177.9	176.5	172	169.1	163.3	0	111.5	L85 E86 L89 F117 D118 E119 D123 V124 H125	L85-K121 HydrophobicContact CB-CB 4.22Å; L85-K121 HydrophobicContact CD1-CB 4.16Å; E86-K121 IonicContact OE1-NZ 3.93Å; E86-K121 PolarHBondContact OE1-NZ 2.99Å; E86-K121 IonicContact OE2-NZ 2.93Å; E86-K121 PolarHBondContact OE2-NZ 3.46Å; L89-K121 HydrophobicContact CD1-CB 4.02Å; L89-K121 HydrophobicContact CD1-CD 3.7Å; L89-K121 HydrophobicContact CD1-CG 4.49Å; F117-K121 WeakPolarHBondContact O-CB 3.4Å; F117-K121 PolarHBondContact O-N 2.94Å; D118-K121 PolarHBondContact O-N 2.91Å; E119-K121 PolarHBondContact O-N 3.4Å; K121-D123 VanDerWaalsContact C-N 3.35Å; K121-D123 PolarHBondContact O-N 3.08Å; K121-V124 PolarHBondContact O-N 2.92Å; K121-H125 WeakPolarHBondContact O-CB 3.3Å; K121-H125 PolarHBondContact O-N 2.73Å
122	R	95.3	Very high	93.7	Very high	107 Å²	107	57.1 Å²	57.1	40%	0.404	26%	0.255	S	S	.	.	H	α-helix	trans	-58.5	-46	175.1	-80.5	-167.8	-66.9	-91.4	-0.3	112.1	D118 E119 L120 H125 R126	D118-R122 WeakPolarHBondContact O-CG 3.23Å; D118-R122 PolarHBondContact O-N 3.13Å; D118-R122 IonicContact OD1-CZ 3.73Å; D118-R122 IonicContact OD1-NH1 3.37Å; D118-R122 PolarHBondContact OD1-NH1 2.85Å; D118-R122 IonicContact OD2-CZ 3.62Å; D118-R122 IonicContact OD2-NH1 2.83Å; D118-R122 PolarHBondContact OD2-NH1 3.5Å; D118-R122 IonicContact OD2-NH2 3.54Å; D118-R122 PolarHBondContact OD2-NH2 2.88Å; E119-R122 WeakPolarHBondContact O-CB 3.45Å; E119-R122 PolarHBondContact O-N 2.92Å; L120-R122 VanDerWaalsContact C-N 3.34Å; L120-R122 PolarHBondContact O-N 3.46Å; R122-H125 PolarHBondContact O-N 2.86Å; R122-R126 VanDerWaalsContact O-CB 3.32Å; R122-R126 WeakPolarHBondContact O-CB 3.26Å; R122-R126 PolarHBondContact O-N 2.56Å
123	D	93.1	Very high	93.3	Very high	14 Å²	14	57.6 Å²	57.6	8%	0.075	26%	0.258	C	S	.	.	H	α-helix	trans	-69	-41.9	-177.8	-73.9	-24.8	0	0	0	111.5	F31 R38 E119 L120 K121 H125 R126 C127	F31-D123 HydrophobicContact CB-CB 4.3Å; F31-D123 HydrophobicContact CD1-CB 3.89Å; F31-D123 HydrophobicContact CD2-CB 3.52Å; F31-D123 WeakPolarHBondContact CD2-OD2 3.5Å; F31-D123 HydrophobicContact CE1-CB 4.05Å; F31-D123 HydrophobicContact CE2-CB 3.77Å; F31-D123 HydrophobicContact CG-CB 3.62Å; F31-D123 HydrophobicContact CZ-CB 4.05Å; R38-D123 IonicContact CZ-OD2 3.19Å; R38-D123 IonicContact NH1-OD2 3.46Å; R38-D123 PolarHBondContact NH1-OD2 3.28Å; R38-D123 IonicContact NH2-OD2 3.32Å; R38-D123 PolarHBondContact NH2-OD2 3.29Å; E119-D123 PolarHBondContact O-N 3.4Å; L120-D123 PolarHBondContact O-N 2.93Å; K121-D123 VanDerWaalsContact C-N 3.35Å; K121-D123 PolarHBondContact O-N 3.08Å; D123-H125 VanDerWaalsContact C-N 3.31Å; D123-H125 PolarHBondContact O-N 3.01Å; D123-R126 PolarHBondContact O-N 2.82Å; D123-R126 IonicContact OD1-NH1 2.73Å; D123-R126 PolarHBondContact OD1-NH1 2.83Å; D123-C127 WeakPolarHBondContact O-CB 3.46Å; D123-C127 PolarHBondContact O-N 2.79Å; D123-C127 PolarHBondContact O-SG 3.21Å
124	V	91.3	Very high	92.9	Very high	1 Å²	1	62.4 Å²	62.4	1%	0.006	28%	0.279	C	S	.	.	H	α-helix	trans	-57.3	-45.7	172.1	170.6	0	0	0	0	110.9	F31 M81 N82 L120 K121 C127 R128	F31-V124 HydrophobicContact CE1-CG2 4.3Å; F31-V124 HydrophobicContact CZ-CG2 4.16Å; M81-V124 HydrophobicContact CE-CB 4.16Å; M81-V124 HydrophobicContact CE-CG1 3.78Å; M81-V124 HydrophobicContact CE-CG2 3.23Å; M81-V124 HydrophobicContact SD-CG2 3.92Å; N82-V124 HydrophobicContact CB-CG1 4.42Å; L120-V124 HydrophobicContact CD1-CG2 3.99Å; L120-V124 HydrophobicContact CG-CG2 4.41Å; L120-V124 WeakPolarHBondContact O-CB 3.25Å; L120-V124 WeakPolarHBondContact O-CG2 3.45Å; L120-V124 PolarHBondContact O-N 3.38Å; K121-V124 PolarHBondContact O-N 2.92Å; V124-C127 CarbonylContact O-C 3.58Å; V124-C127 PolarHBondContact O-N 3.12Å; V124-R128 VanDerWaalsContact O-CG 3.23Å; V124-R128 WeakPolarHBondContact O-CG 3.47Å; V124-R128 PolarHBondContact O-N 2.88Å; V124-R128 VanDerWaalsContact O-N 3.11Å
125	H	91.9	Very high	92.3	Very high	107 Å²	107	66.4 Å²	66.4	50%	0.495	30%	0.296	S	S	.	.	H	α-helix	trans	-65.4	-43.5	178.3	-173.9	87.7	0	0	0	112.8	K121 R122 D123 C127 R128	K121-H125 WeakPolarHBondContact O-CB 3.3Å; K121-H125 PolarHBondContact O-N 2.73Å; R122-H125 PolarHBondContact O-N 2.86Å; D123-H125 VanDerWaalsContact C-N 3.31Å; D123-H125 PolarHBondContact O-N 3.01Å; H125-C127 VanDerWaalsContact C-N 3.28Å; H125-C127 PolarHBondContact O-N 3.25Å; H125-R128 WeakPolarHBondContact O-CD 3.33Å; H125-R128 WeakPolarHBondContact O-CG 3.39Å
126	R	92.6	Very high	91.5	Very high	125 Å²	125	65.4 Å²	65.4	47%	0.472	30%	0.299	S	S	.	.	H	α-helix	trans	-62.9	-38.8	176.9	-177.4	-179.9	-66.9	140.4	-6.8	111.3	Q27 R122 D123	Q27-R126 VanDerWaalsContact OE1-CD 3.27Å; R122-R126 VanDerWaalsContact O-CB 3.32Å; R122-R126 WeakPolarHBondContact O-CB 3.26Å; R122-R126 PolarHBondContact O-N 2.56Å; D123-R126 PolarHBondContact O-N 2.82Å; D123-R126 IonicContact OD1-NH1 2.73Å; D123-R126 PolarHBondContact OD1-NH1 2.83Å
127	C	91.1	Very high	91.1	Very high	2 Å²	2	66.5 Å²	66.5	1%	0.014	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	19.9	-170.9	-59.7	0	0	0	0	113.5	C28 D123 V124 H125 K129 V130 F131	C28-C127 WeakPolarHBondContact CA-SG 3.5Å; C28-C127 HydrophobicContact CB-CB 3.56Å; C28-C127 WeakPolarHBondContact CB-SG 3.49Å; C28-C127 WeakPolarHBondContact SG-CA 3.41Å; C28-C127 WeakPolarHBondContact SG-CB 3.35Å; C28-C127 CovalentContact SG-SG 2.02Å; C28-C127 PolarHBondContact SG-SG 3.32Å; D123-C127 WeakPolarHBondContact O-CB 3.46Å; D123-C127 PolarHBondContact O-N 2.79Å; D123-C127 PolarHBondContact O-SG 3.21Å; V124-C127 CarbonylContact O-C 3.58Å; V124-C127 PolarHBondContact O-N 3.12Å; H125-C127 VanDerWaalsContact C-N 3.28Å; H125-C127 PolarHBondContact O-N 3.25Å; C127-K129 PolarHBondContact O-N 3.45Å; C127-V130 HydrophobicContact CB-CB 4.48Å; C127-V130 WeakPolarHBondContact O-CA 3.44Å; C127-V130 WeakPolarHBondContact O-CB 3.18Å; C127-V130 PolarHBondContact O-N 2.64Å; C127-F131 HydrophobicContact CB-CD2 3.77Å; C127-F131 HydrophobicContact CB-CE2 3.5Å; C127-F131 VanDerWaalsContact CB-CE2 3.5Å; C127-F131 WeakPolarHBondContact O-CD2 3.21Å; C127-F131 PolarHBondContact O-N 3.21Å
128	R	90.5	Very high	90.7	Very high	86 Å²	86	70.5 Å²	70.5	33%	0.325	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-31.2	-176.9	-74.3	178.2	86.6	168.3	13.4	114.5	E79 V124 H125 K132 C133	E79-R128 IonicContact OE2-NH2 3.1Å; E79-R128 PolarHBondContact OE2-NH2 3.09Å; V124-R128 VanDerWaalsContact O-CG 3.23Å; V124-R128 WeakPolarHBondContact O-CG 3.47Å; V124-R128 PolarHBondContact O-N 2.88Å; V124-R128 VanDerWaalsContact O-N 3.11Å; H125-R128 WeakPolarHBondContact O-CD 3.33Å; H125-R128 WeakPolarHBondContact O-CG 3.39Å; R128-K132 PolarHBondContact O-N 3.4Å; R128-C133 WeakPolarHBondContact CA-SG 3.26Å; R128-C133 HydrophobicContact CB-CB 4.43Å; R128-C133 PolarHBondContact O-N 3.18Å; R128-C133 PolarHBondContact O-SG 2.67Å; R128-C133 VanDerWaalsContact O-SG 3.32Å
129	K	86.8	Confident	90.5	Very high	195 Å²	195	69 Å²	69	85%	0.848	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-43.2	175.8	-68.2	-176.9	179.6	177.3	0	111.9	C127 F131 K132	C127-K129 PolarHBondContact O-N 3.45Å; K129-F131 VanDerWaalsContact C-N 3.33Å; K129-K132 PolarHBondContact O-N 3.01Å
130	V	86	Confident	90.5	Very high	41 Å²	41	74.9 Å²	74.9	25%	0.248	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-43.5	175	177.1	0	0	0	0	109.9	C28 C127 K132	C28-V130 HydrophobicContact CB-CB 4.39Å; C28-V130 HydrophobicContact CB-CG2 3.69Å; C127-V130 HydrophobicContact CB-CB 4.48Å; C127-V130 WeakPolarHBondContact O-CA 3.44Å; C127-V130 WeakPolarHBondContact O-CB 3.18Å; C127-V130 PolarHBondContact O-N 2.64Å; V130-K132 PolarHBondContact O-N 2.79Å
131	F	87.5	Confident	90.4	Very high	6 Å²	6	78 Å²	78	3%	0.026	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-5.2	178.7	-69	-59.8	0	0	0	115.3	F31 V32 C78 C127 K129 C133 Y171 L172 Q175	F31-F131 AromaticContact CD1-CE2 3.68Å; F31-F131 HydrophobicContact CD1-CE2 3.68Å; F31-F131 AromaticContact CD1-CZ 3.59Å; F31-F131 HydrophobicContact CD1-CZ 3.59Å; F31-F131 HydrophobicContact CE1-CE1 4.34Å; F31-F131 AromaticContact CE1-CE2 3.34Å; F31-F131 HydrophobicContact CE1-CE2 3.34Å; F31-F131 AromaticContact CE1-CZ 3.19Å; F31-F131 HydrophobicContact CE1-CZ 3.19Å; F31-F131 HydrophobicContact CZ-CZ 4.32Å; V32-F131 HydrophobicContact CG2-CE1 4.12Å; V32-F131 HydrophobicContact CG2-CZ 3.74Å; C78-F131 HydrophobicContact CB-CB 4.07Å; C127-F131 HydrophobicContact CB-CD2 3.77Å; C127-F131 HydrophobicContact CB-CE2 3.5Å; C127-F131 VanDerWaalsContact CB-CE2 3.5Å; C127-F131 WeakPolarHBondContact O-CD2 3.21Å; C127-F131 PolarHBondContact O-N 3.21Å; K129-F131 VanDerWaalsContact C-N 3.33Å; F131-C133 VanDerWaalsContact CB-SG 3.59Å; F131-C133 PolarHBondContact O-N 3.32Å; F131-Y171 WeakPolarHBondContact CB-OH 3.45Å; F131-Y171 AromaticContact CD1-CE1 3.77Å; F131-Y171 HydrophobicContact CD1-CE1 3.77Å; F131-Y171 AromaticContact CD1-CZ 3.88Å; F131-Y171 WeakPolarHBondContact CD1-OH 3.39Å; F131-Y171 HydrophobicContact CE1-CE1 4.25Å; F131-Y171 PolarHBondContact O-OH 3.07Å; F131-L172 HydrophobicContact CD1-CD2 4.29Å; F131-L172 HydrophobicContact CE1-CD2 3.36Å; F131-L172 HydrophobicContact CZ-CD2 3.67Å; F131-Q175 HydrophobicContact CD1-CB 4.31Å; F131-Q175 HydrophobicContact CD1-CG 3.7Å; F131-Q175 HydrophobicContact CE1-CB 3.91Å; F131-Q175 HydrophobicContact CE1-CG 3.68Å
132	K	89.2	Confident	90.5	Very high	145 Å²	145	76.6 Å²	76.6	63%	0.63	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.6	47.1	-178.4	-60.3	-179.9	-178.7	176.9	0	112.3	R128 K129 V130 K134	R128-K132 PolarHBondContact O-N 3.4Å; K129-K132 PolarHBondContact O-N 3.01Å; V130-K132 PolarHBondContact O-N 2.79Å; K132-K134 PolarHBondContact O-N 2.79Å
133	C	89.8	Confident	90.5	Very high	32 Å²	32	74.4 Å²	74.4	22%	0.216	35%	0.349	C	S	.	.			trans	-60.9	127.1	-171.7	-49.3	0	0	0	0	111.8	C78 R128 F131	C78-C133 HydrophobicContact CB-CB 3.58Å; C78-C133 WeakPolarHBondContact CB-SG 3.22Å; C78-C133 WeakPolarHBondContact SG-CB 3.35Å; C78-C133 CovalentContact SG-SG 2.01Å; C78-C133 PolarHBondContact SG-SG 3.43Å; R128-C133 WeakPolarHBondContact CA-SG 3.26Å; R128-C133 HydrophobicContact CB-CB 4.43Å; R128-C133 PolarHBondContact O-N 3.18Å; R128-C133 PolarHBondContact O-SG 2.67Å; R128-C133 VanDerWaalsContact O-SG 3.32Å; F131-C133 VanDerWaalsContact CB-SG 3.59Å; F131-C133 PolarHBondContact O-N 3.32Å
134	K	89.8	Confident	90.7	Very high	101 Å²	101	76.7 Å²	76.7	44%	0.439	37%	0.366	S	S	.	.			trans	-121.7	148.3	179.4	-70.4	175.1	177.1	-177.2	0	110.4	Q75 F76 E79 K132	Q75-K134 HydrophobicContact CB-CD 4.15Å; Q75-K134 HydrophobicContact CG-CD 4.13Å; Q75-K134 VanDerWaalsContact OE1-CD 3.28Å; F76-K134 HydrophobicContact CD1-CB 3.92Å; F76-K134 HydrophobicContact CE1-CB 4.17Å; E79-K134 VanDerWaalsContact CB-O 3.26Å; E79-K134 WeakPolarHBondContact CB-O 3.49Å; K132-K134 PolarHBondContact O-N 2.79Å
135	K	85.4	Confident	91	Very high	152 Å²	152	78.1 Å²	78.1	66%	0.661	38%	0.375	S	S	*	.	S	Bend	trans	-98.7	152.9	166.3	-64.3	-172.3	175.1	-168.1	0	108.9	F76 E79	F76-K135 WeakPolarHBondContact CE1-O 3.5Å; E79-K135 HydrophobicContact CG-CG 4.23Å; E79-K135 VanDerWaalsContact OE1-CE 3.3Å; E79-K135 WeakPolarHBondContact OE1-CE 3.29Å
136	P	81.6	Confident	91.2	Very high	94 Å²	94	74 Å²	74	61%	0.61	36%	0.355	S	S	*	.			cis	-100.5	150	8.8	36.5	-32.3	0	0	0	114.5	F76	F76-P136 WeakPolarHBondContact CD1-O 3.23Å; F76-P136 VanDerWaalsContact CG-O 3.25Å; F76-P136 WeakPolarHBondContact CG-O 3.26Å
137	F	89.2	Confident	91.4	Very high	37 Å²	37	72.9 Å²	72.9	16%	0.162	36%	0.362	C	S	.	.			trans	-129.9	131.1	154	170.4	-103	0	0	0	106.4	A71 E79 A80 I84 I139	A71-F137 HydrophobicContact CB-CD2 3.49Å; A71-F137 VanDerWaalsContact CB-CD2 3.49Å; A71-F137 HydrophobicContact CB-CE2 3.46Å; A71-F137 VanDerWaalsContact CB-CE2 3.46Å; E79-F137 HydrophobicContact CB-CB 4.31Å; E79-F137 HydrophobicContact CG-CB 4.23Å; A80-F137 HydrophobicContact CB-CB 4.46Å; A80-F137 HydrophobicContact CB-CD1 4.13Å; A80-F137 HydrophobicContact CB-CD2 3.7Å; A80-F137 HydrophobicContact CB-CE1 4.25Å; A80-F137 HydrophobicContact CB-CE2 3.87Å; A80-F137 HydrophobicContact CB-CG 3.82Å; A80-F137 HydrophobicContact CB-CZ 4.13Å; I84-F137 HydrophobicContact CD1-CE1 4.38Å; I84-F137 HydrophobicContact CD1-CZ 3.97Å; I84-F137 HydrophobicContact CG1-CE1 4.23Å; I84-F137 HydrophobicContact CG1-CZ 4.24Å; F137-I139 HydrophobicContact CE1-CB 4.04Å; F137-I139 HydrophobicContact CE1-CD1 3.67Å; F137-I139 HydrophobicContact CE1-CG1 4.44Å; F137-I139 HydrophobicContact CZ-CD1 4.19Å
138	D	89.8	Confident	91.7	Very high	83 Å²	83	80 Å²	80	44%	0.444	40%	0.395	S	S	.	.			trans	-105.7	104	-178.2	-172.9	6.2	0	0	0	110.5	R140	D138-R140 VanDerWaalsContact CG-NE 3.35Å; D138-R140 PolarHBondContact O-N 3.48Å; D138-R140 WeakPolarHBondContact OD1-CB 3.49Å; D138-R140 WeakPolarHBondContact OD1-CG 3.37Å; D138-R140 IonicContact OD1-CZ 3.91Å; D138-R140 PolarHBondContact OD1-N 2.79Å; D138-R140 IonicContact OD1-NE 2.95Å; D138-R140 PolarHBondContact OD1-NE 3.32Å; D138-R140 IonicContact OD1-NH2 3.12Å; D138-R140 IonicContact OD2-CZ 3.48Å; D138-R140 IonicContact OD2-NE 3.98Å; D138-R140 PolarHBondContact OD2-NE 2.92Å; D138-R140 IonicContact OD2-NH2 2.58Å; D138-R140 PolarHBondContact OD2-NH2 3.42Å
139	I	94.6	Very high	91.9	Very high	34 Å²	34	76.2 Å²	76.2	17%	0.174	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-10.3	178.4	-165.1	69.3	0	0	0	112.6	I84 F137 S141 L142 N143	I84-I139 HydrophobicContact CG1-CD1 3.72Å; F137-I139 HydrophobicContact CE1-CB 4.04Å; F137-I139 HydrophobicContact CE1-CD1 3.67Å; F137-I139 HydrophobicContact CE1-CG1 4.44Å; F137-I139 HydrophobicContact CZ-CD1 4.19Å; I139-S141 VanDerWaalsContact C-N 3.34Å; I139-S141 PolarHBondContact O-N 3.35Å; I139-L142 HydrophobicContact CD1-CB 4.25Å; I139-L142 HydrophobicContact CD1-CD1 4.27Å; I139-L142 HydrophobicContact CD1-CD2 4.14Å; I139-L142 HydrophobicContact CD1-CG 4.47Å; I139-L142 PolarHBondContact O-N 3.05Å; I139-N143 PolarHBondContact O-N 3.23Å
140	R	94.3	Very high	92.3	Very high	173 Å²	173	74.4 Å²	74.4	65%	0.653	38%	0.376	S	S	*	.	H	α-helix	trans	-58.6	-41.8	-171	-74.3	-179.9	-66.2	-140.8	3.7	113.4	D138 L142 N143 S144	D138-R140 VanDerWaalsContact CG-NE 3.35Å; D138-R140 PolarHBondContact O-N 3.48Å; D138-R140 WeakPolarHBondContact OD1-CB 3.49Å; D138-R140 WeakPolarHBondContact OD1-CG 3.37Å; D138-R140 IonicContact OD1-CZ 3.91Å; D138-R140 PolarHBondContact OD1-N 2.79Å; D138-R140 IonicContact OD1-NE 2.95Å; D138-R140 PolarHBondContact OD1-NE 3.32Å; D138-R140 IonicContact OD1-NH2 3.12Å; D138-R140 IonicContact OD2-CZ 3.48Å; D138-R140 IonicContact OD2-NE 3.98Å; D138-R140 PolarHBondContact OD2-NE 2.92Å; D138-R140 IonicContact OD2-NH2 2.58Å; D138-R140 PolarHBondContact OD2-NH2 3.42Å; R140-L142 VanDerWaalsContact C-N 3.34Å; R140-L142 PolarHBondContact O-N 3.12Å; R140-N143 PolarHBondContact O-N 2.95Å; R140-S144 WeakPolarHBondContact O-CB 3.46Å; R140-S144 PolarHBondContact O-N 2.95Å; R140-S144 PolarHBondContact O-OG 3.08Å
141	S	93.4	Very high	92.6	Very high	65 Å²	65	77.1 Å²	77.1	46%	0.455	40%	0.397	S	S	.	.	H	α-helix	trans	-58.1	-49.2	179.7	-165	0	0	0	0	110.9	I139 N143 S144 T145	I139-S141 VanDerWaalsContact C-N 3.34Å; I139-S141 PolarHBondContact O-N 3.35Å; S141-N143 PolarHBondContact O-N 3.3Å; S141-S144 PolarHBondContact O-N 3Å; S141-T145 PolarHBondContact O-N 3.44Å; S141-T145 PolarHBondContact O-OG1 2.97Å; S141-T145 VanDerWaalsContact O-OG1 3.05Å
142	L	96.4	Very high	92.9	Very high	9 Å²	9	80.5 Å²	80.5	5%	0.047	41%	0.409	C	S	.	.	H	α-helix	trans	-60.9	-45.8	177.3	-176.9	153.2	0	0	0	111.7	L63 L64 V68 I84 F87 I139 R140 S144 T145 Y146	L63-L142 HydrophobicContact CD1-CG 4.19Å; L63-L142 HydrophobicContact CG-CG 4.42Å; L64-L142 HydrophobicContact CD2-CD1 3.93Å; V68-L142 HydrophobicContact CG2-CD1 3.84Å; I84-L142 HydrophobicContact CG1-CD1 4.42Å; F87-L142 HydrophobicContact CD1-CD2 3.54Å; F87-L142 HydrophobicContact CD2-CD2 4.04Å; F87-L142 HydrophobicContact CE1-CD2 3.49Å; F87-L142 VanDerWaalsContact CE1-CD2 3.49Å; F87-L142 HydrophobicContact CE2-CD2 3.99Å; F87-L142 HydrophobicContact CG-CD2 3.82Å; F87-L142 HydrophobicContact CZ-CD2 3.72Å; I139-L142 HydrophobicContact CD1-CB 4.25Å; I139-L142 HydrophobicContact CD1-CD1 4.27Å; I139-L142 HydrophobicContact CD1-CD2 4.14Å; I139-L142 HydrophobicContact CD1-CG 4.47Å; I139-L142 PolarHBondContact O-N 3.05Å; R140-L142 VanDerWaalsContact C-N 3.34Å; R140-L142 PolarHBondContact O-N 3.12Å; L142-S144 VanDerWaalsContact C-N 3.33Å; L142-S144 PolarHBondContact O-N 2.9Å; L142-T145 PolarHBondContact O-N 2.97Å; L142-Y146 WeakPolarHBondContact O-CB 3.42Å; L142-Y146 PolarHBondContact O-N 3.43Å
143	N	97.2	Very high	93.3	Very high	60 Å²	60	73.6 Å²	73.6	32%	0.321	38%	0.379	S	S	.	.	H	α-helix	trans	-62.4	-40.7	178.1	-75.8	3.5	0	0	0	112.1	F87 I139 R140 S141 Y146 T147	F87-N143 WeakPolarHBondContact CD2-OD1 3.27Å; I139-N143 PolarHBondContact O-N 3.23Å; R140-N143 PolarHBondContact O-N 2.95Å; S141-N143 PolarHBondContact O-N 3.3Å; N143-Y146 PolarHBondContact O-N 3.26Å; N143-T147 WeakPolarHBondContact O-CB 3.45Å; N143-T147 PolarHBondContact O-N 3.18Å; N143-T147 PolarHBondContact O-OG1 3.47Å
144	S	96.4	Very high	93.7	Very high	63 Å²	63	72.2 Å²	72.2	44%	0.441	37%	0.37	S	S	.	.	H	α-helix	trans	-63.6	-49.7	176.2	-73.5	0	0	0	0	110.8	R140 S141 L142 Y146 T147 E148	R140-S144 WeakPolarHBondContact O-CB 3.46Å; R140-S144 PolarHBondContact O-N 2.95Å; R140-S144 PolarHBondContact O-OG 3.08Å; S141-S144 PolarHBondContact O-N 3Å; L142-S144 VanDerWaalsContact C-N 3.33Å; L142-S144 PolarHBondContact O-N 2.9Å; S144-Y146 VanDerWaalsContact C-N 3.32Å; S144-Y146 PolarHBondContact O-N 3.07Å; S144-T147 WeakPolarHBondContact O-CB 3.36Å; S144-T147 PolarHBondContact O-N 2.82Å; S144-E148 WeakPolarHBondContact O-CG 3.14Å; S144-E148 PolarHBondContact O-N 3.22Å
145	T	96.5	Very high	94	Very high	31 Å²	31	69.9 Å²	69.9	19%	0.19	36%	0.359	C	S	.	.	H	α-helix	trans	-57.8	-43.8	176.2	-58.8	0	0	0	0	111.9	L63 S141 L142 T147 E148 M149	L63-T145 HydrophobicContact CD1-CG2 3.84Å; S141-T145 PolarHBondContact O-N 3.44Å; S141-T145 PolarHBondContact O-OG1 2.97Å; S141-T145 VanDerWaalsContact O-OG1 3.05Å; L142-T145 PolarHBondContact O-N 2.97Å; T145-T147 VanDerWaalsContact C-N 3.35Å; T145-T147 PolarHBondContact O-N 3.36Å; T145-E148 PolarHBondContact O-N 2.82Å; T145-M149 HydrophobicContact CG2-CE 3.77Å; T145-M149 WeakPolarHBondContact O-CG 3.39Å; T145-M149 PolarHBondContact O-N 3.5Å
146	Y	97.5	Very high	94.6	Very high	21 Å²	21	63.2 Å²	63.2	8%	0.082	33%	0.33	C	S	.	.	H	α-helix	trans	-63.2	-40.3	175.1	-178.8	-94.4	0	0	0	112.6	L63 F87 T91 V92 L142 N143 S144 E148 M149 G153 A157	L63-Y146 HydrophobicContact CD2-CD2 3.97Å; F87-Y146 HydrophobicContact CE1-CD2 4.47Å; F87-Y146 AromaticContact CE2-CD1 3.98Å; F87-Y146 HydrophobicContact CE2-CD1 3.98Å; F87-Y146 HydrophobicContact CE2-CD2 4.35Å; F87-Y146 AromaticContact CE2-CG 3.89Å; F87-Y146 HydrophobicContact CE2-CG 3.89Å; F87-Y146 HydrophobicContact CZ-CD1 4Å; F87-Y146 AromaticContact CZ-CD2 3.55Å; F87-Y146 HydrophobicContact CZ-CD2 3.55Å; F87-Y146 HydrophobicContact CZ-CE1 4.48Å; F87-Y146 HydrophobicContact CZ-CE2 4.02Å; F87-Y146 AromaticContact CZ-CG 3.5Å; F87-Y146 HydrophobicContact CZ-CG 3.5Å; T91-Y146 HydrophobicContact CG2-CD1 4.33Å; T91-Y146 HydrophobicContact CG2-CE1 3.65Å; V92-Y146 HydrophobicContact CG2-CE2 3.92Å; L142-Y146 WeakPolarHBondContact O-CB 3.42Å; L142-Y146 PolarHBondContact O-N 3.43Å; N143-Y146 PolarHBondContact O-N 3.26Å; S144-Y146 VanDerWaalsContact C-N 3.32Å; S144-Y146 PolarHBondContact O-N 3.07Å; Y146-E148 VanDerWaalsContact C-N 3.34Å; Y146-M149 WeakPolarHBondContact O-CB 3.44Å; Y146-M149 PolarHBondContact O-N 2.88Å; Y146-G153 VanDerWaalsContact CE2-O 3.26Å; Y146-G153 WeakPolarHBondContact CE2-O 3.45Å; Y146-A157 HydrophobicContact CD2-CB 4.28Å; Y146-A157 HydrophobicContact CE2-CB 3.99Å
147	T	96.4	Very high	95.4	Very high	101 Å²	101	58.8 Å²	58.8	62%	0.62	30%	0.301	S	S	*	.	H	α-helix	trans	-65.5	-39.2	179.5	-57.7	0	0	0	0	111.3	N143 S144 T145 M149 E150	N143-T147 WeakPolarHBondContact O-CB 3.45Å; N143-T147 PolarHBondContact O-N 3.18Å; N143-T147 PolarHBondContact O-OG1 3.47Å; S144-T147 WeakPolarHBondContact O-CB 3.36Å; S144-T147 PolarHBondContact O-N 2.82Å; T145-T147 VanDerWaalsContact C-N 3.35Å; T145-T147 PolarHBondContact O-N 3.36Å; T147-M149 PolarHBondContact O-N 3.19Å; T147-E150 PolarHBondContact O-N 3.33Å; T147-E150 VanDerWaalsContact O-N 3.09Å
148	E	96.6	Very high	95.9	Very high	151 Å²	151	57 Å²	57	71%	0.706	29%	0.293	S	S	*	.	H	α-helix	trans	-64.8	-22.7	175.6	-71.6	169.1	-172.2	0	0	113	S144 T145 Y146 E150	S144-E148 WeakPolarHBondContact O-CG 3.14Å; S144-E148 PolarHBondContact O-N 3.22Å; T145-E148 PolarHBondContact O-N 2.82Å; Y146-E148 VanDerWaalsContact C-N 3.34Å; E148-E150 VanDerWaalsContact C-N 3.25Å; E148-E150 PolarHBondContact O-N 2.84Å
149	M	95.9	Very high	96.2	Very high	7 Å²	7	53.5 Å²	53.5	3%	0.034	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-3.3	174.7	-65.8	170.1	173.8	0	0	113.6	F59 N61 L63 T145 Y146 T147 R152 G153 K156	F59-M149 HydrophobicContact CB-CE 4.36Å; F59-M149 HydrophobicContact CD1-CE 4.43Å; F59-M149 HydrophobicContact CD1-CG 4.13Å; F59-M149 HydrophobicContact CD2-CG 4.22Å; F59-M149 HydrophobicContact CD2-SD 4.29Å; F59-M149 HydrophobicContact CE1-CB 4.15Å; F59-M149 HydrophobicContact CE1-CG 3.77Å; F59-M149 HydrophobicContact CE2-CB 3.77Å; F59-M149 HydrophobicContact CE2-CG 3.83Å; F59-M149 HydrophobicContact CE2-SD 4.34Å; F59-M149 HydrophobicContact CG-CE 4.22Å; F59-M149 HydrophobicContact CG-CG 4.35Å; F59-M149 HydrophobicContact CZ-CB 3.52Å; F59-M149 HydrophobicContact CZ-CG 3.61Å; N61-M149 WeakPolarHBondContact ND2-CE 3.33Å; L63-M149 HydrophobicContact CB-CE 4.44Å; L63-M149 HydrophobicContact CD1-SD 4.43Å; T145-M149 HydrophobicContact CG2-CE 3.77Å; T145-M149 WeakPolarHBondContact O-CG 3.39Å; T145-M149 PolarHBondContact O-N 3.5Å; Y146-M149 WeakPolarHBondContact O-CB 3.44Å; Y146-M149 PolarHBondContact O-N 2.88Å; T147-M149 PolarHBondContact O-N 3.19Å; M149-R152 PolarHBondContact O-N 3.24Å; M149-G153 VanDerWaalsContact CB-CA 3.48Å; M149-G153 PolarHBondContact O-N 2.65Å; M149-K156 HydrophobicContact CE-CG 3.83Å; M149-K156 HydrophobicContact SD-CB 3.83Å; M149-K156 HydrophobicContact SD-CG 3.73Å
150	E	94.6	Very high	96.4	Very high	156 Å²	156	52.8 Å²	52.8	73%	0.729	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	48.4	-134.8	177.8	-56.5	-174.7	169.7	0	0	113.1	T147 E148 R152 G153	T147-E150 PolarHBondContact O-N 3.33Å; T147-E150 VanDerWaalsContact O-N 3.09Å; E148-E150 VanDerWaalsContact C-N 3.25Å; E148-E150 PolarHBondContact O-N 2.84Å; E150-R152 PolarHBondContact O-N 3.43Å; E150-R152 VanDerWaalsContact O-N 3.11Å; E150-G153 PolarHBondContact O-N 2.97Å
151	S	92.5	Very high	96.6	Very high	99 Å²	99	44.6 Å²	44.6	69%	0.692	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-62.7	-16	-180	63.1	0	0	0	0	114
152	R	94.8	Very high	96.8	Very high	76 Å²	76	43.9 Å²	43.9	29%	0.287	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-95.6	-10.9	-177.9	-56.2	-167.6	-6.6	169.1	11.2	113.9	D58 F59 M149 E150 V154 Y155 K156	D58-R152 PolarHBondContact O-NH2 3.43Å; D58-R152 VanDerWaalsContact O-NH2 3.1Å; D58-R152 IonicContact OD2-CZ 2.67Å; D58-R152 IonicContact OD2-NE 3.88Å; D58-R152 IonicContact OD2-NH1 2.85Å; D58-R152 PolarHBondContact OD2-NH1 2.7Å; D58-R152 IonicContact OD2-NH2 3.72Å; D58-R152 PolarHBondContact OD2-NH2 2.99Å; F59-R152 HydrophobicContact CE2-CB 3.54Å; F59-R152 HydrophobicContact CZ-CB 3.93Å; M149-R152 PolarHBondContact O-N 3.24Å; E150-R152 PolarHBondContact O-N 3.43Å; E150-R152 VanDerWaalsContact O-N 3.11Å; R152-V154 PolarHBondContact O-N 3.33Å; R152-V154 VanDerWaalsContact O-N 3.11Å; R152-Y155 HydrophobicContact CB-CD2 4.38Å; R152-Y155 PolarHBondContact O-N 3.35Å; R152-K156 PolarHBondContact O-N 2.98Å
153	G	96.8	Very high	96.9	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-55.5	-30.5	178.2	0	0	0	0	0	112.8	Y146 M149 E150 Y155 K156 A157	Y146-G153 VanDerWaalsContact CE2-O 3.26Å; Y146-G153 WeakPolarHBondContact CE2-O 3.45Å; M149-G153 VanDerWaalsContact CB-CA 3.48Å; M149-G153 PolarHBondContact O-N 2.65Å; E150-G153 PolarHBondContact O-N 2.97Å; G153-Y155 VanDerWaalsContact C-N 3.33Å; G153-Y155 PolarHBondContact O-N 3.29Å; G153-K156 WeakPolarHBondContact O-CB 3.31Å; G153-K156 PolarHBondContact O-N 3.13Å; G153-A157 WeakPolarHBondContact O-CB 3.48Å; G153-A157 PolarHBondContact O-N 2.74Å
154	V	97.4	Very high	97	Very high	3 Å²	3	43.7 Å²	43.7	2%	0.018	23%	0.23	C	C	.	.	H	α-helix	trans	-61.1	-38.4	176	68.6	0	0	0	0	112.6	V92 T95 A96 R152 M158	V92-V154 HydrophobicContact CG1-CG2 4.45Å; T95-V154 HydrophobicContact CG2-CB 3.96Å; T95-V154 HydrophobicContact CG2-CG1 4.33Å; T95-V154 HydrophobicContact CG2-CG2 4.01Å; A96-V154 HydrophobicContact CB-CG2 3.78Å; R152-V154 PolarHBondContact O-N 3.33Å; R152-V154 VanDerWaalsContact O-N 3.11Å; V154-M158 HydrophobicContact CG2-CG 4.11Å; V154-M158 WeakPolarHBondContact O-CB 3.18Å; V154-M158 WeakPolarHBondContact O-CG 3.36Å; V154-M158 PolarHBondContact O-N 3.19Å
155	Y	97.4	Very high	97	Very high	52 Å²	52	40.8 Å²	40.8	20%	0.204	21%	0.209	C	C	.	.	H	α-helix	trans	-69	-40.7	178.4	-59.7	-70.1	0	0	0	111.1	F52 Y53 N56 R152 G153 G159	F52-Y155 HydrophobicContact CE1-CD1 4.46Å; F52-Y155 AromaticContact CE1-CE1 3.84Å; F52-Y155 HydrophobicContact CE1-CE1 3.84Å; F52-Y155 HydrophobicContact CZ-CE1 4.04Å; Y53-Y155 AromaticContact CD1-CD1 3.76Å; Y53-Y155 HydrophobicContact CD1-CD1 3.76Å; Y53-Y155 HydrophobicContact CD1-CE1 4.4Å; Y53-Y155 HydrophobicContact CE1-CD1 4.28Å; N56-Y155 HydrophobicContact CB-CD1 3.41Å; N56-Y155 VanDerWaalsContact CB-CD1 3.41Å; N56-Y155 HydrophobicContact CB-CD2 4.19Å; N56-Y155 HydrophobicContact CB-CE1 3.74Å; N56-Y155 HydrophobicContact CB-CE2 4.46Å; N56-Y155 HydrophobicContact CB-CG 3.68Å; N56-Y155 WeakPolarHBondContact O-CB 3.48Å; R152-Y155 HydrophobicContact CB-CD2 4.38Å; R152-Y155 PolarHBondContact O-N 3.35Å; G153-Y155 VanDerWaalsContact C-N 3.33Å; G153-Y155 PolarHBondContact O-N 3.29Å; Y155-G159 WeakPolarHBondContact O-CA 3.5Å; Y155-G159 PolarHBondContact O-N 3.04Å
156	K	98	Very high	97.1	Very high	13 Å²	13	42.3 Å²	42.3	6%	0.057	22%	0.216	C	C	.	.	H	α-helix	trans	-60.2	-55.1	173.9	-175.2	53.1	150.2	-178.3	0	112.4	D57 F59 N61 L63 M149 R152 G153 M158 G159 E160	D57-K156 WeakPolarHBondContact OD1-CD 3.43Å; D57-K156 IonicContact OD1-NZ 3.58Å; D57-K156 WeakPolarHBondContact OD2-CD 3.38Å; D57-K156 IonicContact OD2-NZ 3.2Å; D57-K156 PolarHBondContact OD2-NZ 2.94Å; F59-K156 HydrophobicContact CB-CD 4.29Å; F59-K156 HydrophobicContact CD2-CB 4.14Å; F59-K156 PolarHBondContact O-NZ 3.44Å; N61-K156 WeakPolarHBondContact O-CE 3.26Å; N61-K156 PolarHBondContact O-NZ 3.47Å; L63-K156 HydrophobicContact CB-CG 3.73Å; M149-K156 HydrophobicContact CE-CG 3.83Å; M149-K156 HydrophobicContact SD-CB 3.83Å; M149-K156 HydrophobicContact SD-CG 3.73Å; R152-K156 PolarHBondContact O-N 2.98Å; G153-K156 WeakPolarHBondContact O-CB 3.31Å; G153-K156 PolarHBondContact O-N 3.13Å; K156-M158 PolarHBondContact O-N 3.41Å; K156-G159 PolarHBondContact O-N 2.78Å; K156-E160 HydrophobicContact CD-CG 4.29Å; K156-E160 WeakPolarHBondContact CD-OE1 3.22Å; K156-E160 WeakPolarHBondContact CE-OE1 3.5Å; K156-E160 IonicContact NZ-OE1 2.68Å; K156-E160 PolarHBondContact NZ-OE1 3.22Å; K156-E160 VanDerWaalsContact NZ-OE1 3.1Å; K156-E160 WeakPolarHBondContact O-CG 3.48Å; K156-E160 PolarHBondContact O-N 3.1Å
157	A	98.3	Very high	97.1	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-63.2	-43.4	-176.9	0	0	0	0	0	112.1	L63 Y88 V92 Y146 G153 E160	L63-A157 HydrophobicContact CD2-CB 3.57Å; Y88-A157 HydrophobicContact CE1-CB 4.22Å; Y88-A157 PolarHBondContact OH-O 3.29Å; V92-A157 HydrophobicContact CB-CB 4.35Å; V92-A157 HydrophobicContact CG1-CB 3.58Å; V92-A157 HydrophobicContact CG2-CB 3.77Å; Y146-A157 HydrophobicContact CD2-CB 4.28Å; Y146-A157 HydrophobicContact CE2-CB 3.99Å; G153-A157 WeakPolarHBondContact O-CB 3.48Å; G153-A157 PolarHBondContact O-N 2.74Å; A157-E160 PolarHBondContact O-N 3.13Å
158	M	98.2	Very high	97.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-69.4	-36.2	176.2	-66.9	-64	-68.1	0	0	111.7	Y46 I49 Y53 V92 L93 A96 V110 V154 K156 E160 L161	Y46-M158 WeakPolarHBondContact CE2-O 3.4Å; I49-M158 HydrophobicContact CD1-CE 3.74Å; Y53-M158 HydrophobicContact CD1-CB 3.32Å; Y53-M158 HydrophobicContact CD1-CG 3.84Å; Y53-M158 HydrophobicContact CD2-CB 3.75Å; Y53-M158 HydrophobicContact CD2-CE 4.26Å; Y53-M158 HydrophobicContact CD2-CG 4.46Å; Y53-M158 HydrophobicContact CE1-CB 3.71Å; Y53-M158 HydrophobicContact CE1-CG 3.68Å; Y53-M158 HydrophobicContact CE2-CB 4.1Å; Y53-M158 HydrophobicContact CE2-CE 3.7Å; Y53-M158 HydrophobicContact CE2-CG 4.32Å; Y53-M158 HydrophobicContact CG-CB 3.34Å; Y53-M158 HydrophobicContact CG-CG 4.25Å; V92-M158 HydrophobicContact CG1-CG 3.86Å; V92-M158 HydrophobicContact CG1-SD 3.73Å; L93-M158 HydrophobicContact CD2-CE 4.09Å; L93-M158 HydrophobicContact CD2-SD 3.87Å; A96-M158 HydrophobicContact CB-CE 4.03Å; A96-M158 HydrophobicContact CB-CG 3.91Å; A96-M158 HydrophobicContact CB-SD 3.85Å; V110-M158 HydrophobicContact CG1-CE 4.12Å; V110-M158 HydrophobicContact CG2-CE 4.14Å; V154-M158 HydrophobicContact CG2-CG 4.11Å; V154-M158 WeakPolarHBondContact O-CB 3.18Å; V154-M158 WeakPolarHBondContact O-CG 3.36Å; V154-M158 PolarHBondContact O-N 3.19Å; K156-M158 PolarHBondContact O-N 3.41Å; M158-E160 VanDerWaalsContact C-N 3.27Å; M158-E160 PolarHBondContact O-N 3.45Å; M158-L161 HydrophobicContact CE-CD1 3.69Å; M158-L161 WeakPolarHBondContact O-CB 3.29Å; M158-L161 WeakPolarHBondContact O-CG 3.46Å; M158-L161 PolarHBondContact O-N 2.93Å; M158-L161 HydrophobicContact SD-CD1 3.88Å
159	G	97.7	Very high	97	Very high	9 Å²	9	34 Å²	34	9%	0.093	17%	0.17	C	C	.	.	H	α-helix	trans	-61.6	-32.4	175.4	0	0	0	0	0	113	Y46 Y155 K156	Y46-G159 PolarHBondContact OH-O 3.14Å; Y155-G159 WeakPolarHBondContact O-CA 3.5Å; Y155-G159 PolarHBondContact O-N 3.04Å; K156-G159 PolarHBondContact O-N 2.78Å
160	E	98.3	Very high	97	Very high	20 Å²	20	38.3 Å²	38.3	9%	0.093	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	9.9	-179.8	-67.1	-177.6	176.6	0	0	114.6	A62 L63 L64 K156 A157 M158 D162 Q163 L164	A62-E160 VanDerWaalsContact CA-OE1 3.29Å; A62-E160 WeakPolarHBondContact CA-OE1 3.43Å; L63-E160 WeakPolarHBondContact CA-OE2 3.39Å; L63-E160 WeakPolarHBondContact CB-OE2 3.48Å; L63-E160 PolarHBondContact N-OE1 3.19Å; L63-E160 VanDerWaalsContact N-OE1 3.14Å; L63-E160 PolarHBondContact N-OE2 3.16Å; L64-E160 WeakPolarHBondContact CB-OE2 3.23Å; L64-E160 HydrophobicContact CD1-CB 3.95Å; L64-E160 HydrophobicContact CG-CB 4.24Å; L64-E160 PolarHBondContact N-OE2 2.88Å; K156-E160 HydrophobicContact CD-CG 4.29Å; K156-E160 WeakPolarHBondContact CD-OE1 3.22Å; K156-E160 WeakPolarHBondContact CE-OE1 3.5Å; K156-E160 IonicContact NZ-OE1 2.68Å; K156-E160 PolarHBondContact NZ-OE1 3.22Å; K156-E160 VanDerWaalsContact NZ-OE1 3.1Å; K156-E160 WeakPolarHBondContact O-CG 3.48Å; K156-E160 PolarHBondContact O-N 3.1Å; A157-E160 PolarHBondContact O-N 3.13Å; M158-E160 VanDerWaalsContact C-N 3.27Å; M158-E160 PolarHBondContact O-N 3.45Å; E160-D162 VanDerWaalsContact C-N 3.28Å; E160-D162 PolarHBondContact O-N 2.98Å; E160-Q163 WeakPolarHBondContact O-CB 3.08Å; E160-Q163 PolarHBondContact O-N 3.18Å; E160-L164 PolarHBondContact O-N 2.87Å
161	L	98.5	Very high	97	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-57.6	-35.7	-178.1	-83	173.9	0	0	0	113.9	Y46 Y88 I113 F117 M158 Q163 L164 F165	Y46-L161 HydrophobicContact CD2-CB 3.77Å; Y46-L161 HydrophobicContact CD2-CD1 3.97Å; Y46-L161 HydrophobicContact CE2-CB 3.85Å; Y46-L161 HydrophobicContact CE2-CD1 4.41Å; Y46-L161 HydrophobicContact CG-CB 4.31Å; Y88-L161 HydrophobicContact CD1-CD2 3.94Å; Y88-L161 HydrophobicContact CE1-CD2 3.53Å; Y88-L161 HydrophobicContact CE1-CG 4.28Å; I113-L161 HydrophobicContact CD1-CD1 4.23Å; F117-L161 HydrophobicContact CE2-CD2 4.06Å; F117-L161 HydrophobicContact CZ-CD2 3.79Å; M158-L161 HydrophobicContact CE-CD1 3.69Å; M158-L161 WeakPolarHBondContact O-CB 3.29Å; M158-L161 WeakPolarHBondContact O-CG 3.46Å; M158-L161 PolarHBondContact O-N 2.93Å; M158-L161 HydrophobicContact SD-CD1 3.88Å; L161-Q163 VanDerWaalsContact C-N 3.26Å; L161-Q163 PolarHBondContact O-N 3.44Å; L161-L164 HydrophobicContact CD2-CD2 4.35Å; L161-L164 WeakPolarHBondContact O-CB 2.92Å; L161-L164 PolarHBondContact O-N 3.28Å; L161-F165 HydrophobicContact CB-CE1 4.16Å; L161-F165 HydrophobicContact CB-CE2 4.2Å; L161-F165 HydrophobicContact CB-CZ 3.79Å; L161-F165 HydrophobicContact CD1-CZ 4.46Å; L161-F165 HydrophobicContact CD2-CE1 4.03Å; L161-F165 HydrophobicContact CD2-CZ 4.27Å; L161-F165 HydrophobicContact CG-CZ 4.41Å; L161-F165 WeakPolarHBondContact O-CD1 3.4Å; L161-F165 WeakPolarHBondContact O-CD2 3.46Å; L161-F165 WeakPolarHBondContact O-CG 3.24Å; L161-F165 PolarHBondContact O-N 3.41Å
162	D	97.8	Very high	96.9	Very high	51 Å²	51	26.9 Å²	26.9	27%	0.273	13%	0.133	S	C	.	.	H	α-helix	trans	-61.8	-36.9	177.8	-163.6	65.8	0	0	0	112.2	R43 Y46 E160 F165 N166	R43-D162 IonicContact CZ-OD1 3.8Å; R43-D162 VanDerWaalsContact NH1-CG 3.34Å; R43-D162 IonicContact NH1-OD1 3.62Å; R43-D162 PolarHBondContact NH1-OD1 2.94Å; R43-D162 IonicContact NH1-OD2 2.94Å; Y46-D162 HydrophobicContact CD1-CB 4.12Å; Y46-D162 HydrophobicContact CE1-CB 3.67Å; E160-D162 VanDerWaalsContact C-N 3.28Å; E160-D162 PolarHBondContact O-N 2.98Å; D162-F165 PolarHBondContact O-N 3.11Å; D162-N166 PolarHBondContact O-N 2.9Å; D162-N166 PolarHBondContact O-ND2 3.44Å
163	Q	97.9	Very high	96.8	Very high	64 Å²	64	25.6 Å²	25.6	30%	0.299	14%	0.138	S	C	.	.	H	α-helix	trans	-66.8	-43.5	175.1	-174.1	176	20.3	0	0	110.9	L64 E160 L161 F165 N166 Y167	L64-Q163 HydrophobicContact CD1-CB 4.4Å; L64-Q163 PolarHBondContact O-NE2 3.49Å; E160-Q163 WeakPolarHBondContact O-CB 3.08Å; E160-Q163 PolarHBondContact O-N 3.18Å; L161-Q163 VanDerWaalsContact C-N 3.26Å; L161-Q163 PolarHBondContact O-N 3.44Å; Q163-F165 VanDerWaalsContact C-N 3.31Å; Q163-F165 PolarHBondContact O-N 3.25Å; Q163-N166 WeakPolarHBondContact O-CB 3.2Å; Q163-N166 PolarHBondContact O-N 2.9Å; Q163-Y167 HydrophobicContact CG-CE1 4Å; Q163-Y167 HydrophobicContact CG-CE2 3.9Å; Q163-Y167 WeakPolarHBondContact CG-OH 3.36Å; Q163-Y167 PolarHBondContact NE2-OH 2.96Å; Q163-Y167 PolarHBondContact O-N 2.57Å; Q163-Y167 VanDerWaalsContact O-N 3.08Å
164	L	98.4	Very high	96.5	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-59.6	-42.4	173.2	-178.2	55.4	0	0	0	111.7	L64 F72 I84 Y88 F117 E160 L161 N166 Y167 I168	L64-L164 HydrophobicContact CD1-CB 3.7Å; F72-L164 HydrophobicContact CE2-CD1 4.41Å; F72-L164 HydrophobicContact CZ-CD1 4.19Å; I84-L164 HydrophobicContact CG2-CD1 3.69Å; I84-L164 HydrophobicContact CG2-CD2 4.03Å; Y88-L164 HydrophobicContact CD2-CD2 3.86Å; Y88-L164 HydrophobicContact CE1-CD2 4.29Å; Y88-L164 HydrophobicContact CE2-CD2 3.6Å; Y88-L164 HydrophobicContact CG-CD2 4.33Å; F117-L164 HydrophobicContact CE2-CD2 3.89Å; F117-L164 HydrophobicContact CZ-CD2 3.78Å; E160-L164 PolarHBondContact O-N 2.87Å; L161-L164 HydrophobicContact CD2-CD2 4.35Å; L161-L164 WeakPolarHBondContact O-CB 2.92Å; L161-L164 PolarHBondContact O-N 3.28Å; L164-N166 VanDerWaalsContact C-N 3.31Å; L164-N166 PolarHBondContact O-N 3.21Å; L164-Y167 PolarHBondContact O-N 3.47Å; L164-I168 HydrophobicContact CD1-CD1 4.02Å; L164-I168 HydrophobicContact CD1-CG1 4.17Å; L164-I168 HydrophobicContact CG-CD1 3.83Å; L164-I168 HydrophobicContact CG-CG1 4.43Å; L164-I168 VanDerWaalsContact O-CG1 3.31Å; L164-I168 WeakPolarHBondContact O-CG1 3.26Å; L164-I168 PolarHBondContact O-N 2.68Å
165	F	98.3	Very high	95.9	Very high	1 Å²	1	27.9 Å²	27.9	0%	0.004	15%	0.153	C	C	.	.	H	α-helix	trans	-61.4	-40.8	176.9	-56.3	-21.3	0	0	0	111.5	L42 R43 Y46 F117 L161 D162 Q163 Y167 I168 E169	L42-F165 HydrophobicContact CB-CD1 4.21Å; L42-F165 HydrophobicContact CB-CD2 4.19Å; L42-F165 HydrophobicContact CB-CE1 3.92Å; L42-F165 HydrophobicContact CB-CE2 3.89Å; L42-F165 HydrophobicContact CB-CG 4.35Å; L42-F165 HydrophobicContact CB-CZ 3.75Å; L42-F165 HydrophobicContact CD1-CD1 4.02Å; L42-F165 HydrophobicContact CD1-CE1 4.03Å; L42-F165 HydrophobicContact CD2-CE1 3.98Å; L42-F165 HydrophobicContact CD2-CZ 4.13Å; L42-F165 HydrophobicContact CG-CE1 4.2Å; L42-F165 HydrophobicContact CG-CZ 4.4Å; L42-F165 WeakPolarHBondContact O-CE2 3.37Å; R43-F165 HydrophobicContact CG-CD2 3.94Å; Y46-F165 HydrophobicContact CD1-CE2 4.35Å; Y46-F165 HydrophobicContact CG-CE2 4.02Å; F117-F165 HydrophobicContact CE1-CD1 4.25Å; F117-F165 AromaticContact CE1-CE1 3.66Å; F117-F165 HydrophobicContact CE1-CE1 3.66Å; F117-F165 HydrophobicContact CZ-CD1 4.35Å; F117-F165 AromaticContact CZ-CE1 3.72Å; F117-F165 HydrophobicContact CZ-CE1 3.72Å; L161-F165 HydrophobicContact CB-CE1 4.16Å; L161-F165 HydrophobicContact CB-CE2 4.2Å; L161-F165 HydrophobicContact CB-CZ 3.79Å; L161-F165 HydrophobicContact CD1-CZ 4.46Å; L161-F165 HydrophobicContact CD2-CE1 4.03Å; L161-F165 HydrophobicContact CD2-CZ 4.27Å; L161-F165 HydrophobicContact CG-CZ 4.41Å; L161-F165 WeakPolarHBondContact O-CD1 3.4Å; L161-F165 WeakPolarHBondContact O-CD2 3.46Å; L161-F165 WeakPolarHBondContact O-CG 3.24Å; L161-F165 PolarHBondContact O-N 3.41Å; D162-F165 PolarHBondContact O-N 3.11Å; Q163-F165 VanDerWaalsContact C-N 3.31Å; Q163-F165 PolarHBondContact O-N 3.25Å; F165-Y167 VanDerWaalsContact C-N 3.32Å; F165-Y167 PolarHBondContact O-N 3.01Å; F165-I168 PolarHBondContact O-N 3.38Å; F165-E169 WeakPolarHBondContact O-CB 3.42Å; F165-E169 PolarHBondContact O-N 3.45Å
166	N	97.9	Very high	95.2	Very high	64 Å²	64	30.2 Å²	30.2	34%	0.342	16%	0.162	S	C	.	.	H	α-helix	trans	-59.5	-42.5	175.1	-66	-29.4	0	0	0	111.8	R43 D162 Q163 L164 T170	R43-N166 PolarHBondContact NH1-OD1 2.92Å; R43-N166 VanDerWaalsContact NH1-OD1 3.15Å; R43-N166 PolarHBondContact NH2-OD1 3.37Å; D162-N166 PolarHBondContact O-N 2.9Å; D162-N166 PolarHBondContact O-ND2 3.44Å; Q163-N166 WeakPolarHBondContact O-CB 3.2Å; Q163-N166 PolarHBondContact O-N 2.9Å; L164-N166 VanDerWaalsContact C-N 3.31Å; L164-N166 PolarHBondContact O-N 3.21Å; N166-T170 VanDerWaalsContact O-CB 3.29Å; N166-T170 WeakPolarHBondContact O-CB 3.19Å; N166-T170 PolarHBondContact O-N 2.95Å; N166-T170 PolarHBondContact O-OG1 3.23Å
167	Y	97.6	Very high	94	Very high	20 Å²	20	37.3 Å²	37.3	8%	0.078	19%	0.193	C	C	.	.	H	α-helix	trans	-64.4	-46.7	177.7	-62.7	-18	0	0	0	112.1	L64 V68 E69 F72 Q163 L164 F165 Y171	L64-Y167 HydrophobicContact CB-CE2 4.24Å; L64-Y167 PolarHBondContact O-OH 2.99Å; V68-Y167 HydrophobicContact CG1-CD2 4.02Å; V68-Y167 HydrophobicContact CG1-CE2 3.84Å; E69-Y167 HydrophobicContact CB-CE1 3.96Å; E69-Y167 HydrophobicContact CB-CE2 4.43Å; E69-Y167 WeakPolarHBondContact CB-OH 3.45Å; E69-Y167 HydrophobicContact CG-CD1 4.33Å; E69-Y167 HydrophobicContact CG-CE1 3.6Å; F72-Y167 WeakPolarHBondContact CD1-O 3.21Å; F72-Y167 HydrophobicContact CD2-CD2 4.04Å; F72-Y167 HydrophobicContact CD2-CG 4.2Å; F72-Y167 HydrophobicContact CE2-CD2 4.19Å; F72-Y167 HydrophobicContact CG-CG 4.35Å; Q163-Y167 HydrophobicContact CG-CE1 4Å; Q163-Y167 HydrophobicContact CG-CE2 3.9Å; Q163-Y167 WeakPolarHBondContact CG-OH 3.36Å; Q163-Y167 PolarHBondContact NE2-OH 2.96Å; Q163-Y167 PolarHBondContact O-N 2.57Å; Q163-Y167 VanDerWaalsContact O-N 3.08Å; L164-Y167 PolarHBondContact O-N 3.47Å; F165-Y167 VanDerWaalsContact C-N 3.32Å; F165-Y167 PolarHBondContact O-N 3.01Å; Y167-Y171 WeakPolarHBondContact O-CB 2.74Å; Y167-Y171 PolarHBondContact O-N 3.36Å
168	I	96.1	Very high	92.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-65	-46	179.2	-61.2	166.4	0	0	0	110.6	F35 F72 M81 L85 L120 L164 F165 Y171 L172	F35-I168 HydrophobicContact CE1-CG2 3.79Å; F35-I168 HydrophobicContact CE2-CG2 3.9Å; F35-I168 HydrophobicContact CZ-CB 4.2Å; F35-I168 HydrophobicContact CZ-CG2 3.17Å; F72-I168 HydrophobicContact CE1-CG1 4.12Å; F72-I168 HydrophobicContact CZ-CG1 4.24Å; M81-I168 HydrophobicContact CG-CG1 4.47Å; M81-I168 HydrophobicContact SD-CG1 4.43Å; M81-I168 HydrophobicContact SD-CG2 3.9Å; L85-I168 HydrophobicContact CD2-CD1 4.36Å; L120-I168 HydrophobicContact CD2-CD1 3.92Å; L120-I168 HydrophobicContact CD2-CG2 3.74Å; L164-I168 HydrophobicContact CD1-CD1 4.02Å; L164-I168 HydrophobicContact CD1-CG1 4.17Å; L164-I168 HydrophobicContact CG-CD1 3.83Å; L164-I168 HydrophobicContact CG-CG1 4.43Å; L164-I168 VanDerWaalsContact O-CG1 3.31Å; L164-I168 WeakPolarHBondContact O-CG1 3.26Å; L164-I168 PolarHBondContact O-N 2.68Å; F165-I168 PolarHBondContact O-N 3.38Å; I168-Y171 PolarHBondContact O-N 3.26Å; I168-L172 HydrophobicContact CG2-CD1 3.82Å; I168-L172 HydrophobicContact CG2-CG 4.38Å; I168-L172 WeakPolarHBondContact O-CB 3.33Å; I168-L172 WeakPolarHBondContact O-CG 3.44Å; I168-L172 PolarHBondContact O-N 3.11Å
169	E	95.6	Very high	90.7	Very high	77 Å²	77	48.3 Å²	48.3	36%	0.36	24%	0.24	S	C	.	.	H	α-helix	trans	-59.5	-48.8	178.1	-175.6	172.8	-166.3	0	0	112.1	V39 R43 F165 Y171 L172 A173	V39-E169 HydrophobicContact CG1-CB 4.39Å; V39-E169 HydrophobicContact CG2-CB 4.31Å; R43-E169 IonicContact CZ-OE2 3.21Å; R43-E169 IonicContact NE-OE2 2.64Å; R43-E169 IonicContact NH2-OE2 2.79Å; R43-E169 PolarHBondContact NH2-OE2 3.3Å; F165-E169 WeakPolarHBondContact O-CB 3.42Å; F165-E169 PolarHBondContact O-N 3.45Å; E169-Y171 VanDerWaalsContact C-N 3.32Å; E169-Y171 PolarHBondContact O-N 2.95Å; E169-L172 PolarHBondContact O-N 2.88Å; E169-A173 WeakPolarHBondContact O-CB 3.38Å; E169-A173 PolarHBondContact O-N 3.05Å
170	T	95	Very high	88.8	Confident	99 Å²	99	52.3 Å²	52.3	61%	0.607	27%	0.266	S	S	*	.	H	α-helix	trans	-60.3	-44.8	177.6	-59.5	0	0	0	0	111.1	N166 S174	N166-T170 VanDerWaalsContact O-CB 3.29Å; N166-T170 WeakPolarHBondContact O-CB 3.19Å; N166-T170 PolarHBondContact O-N 2.95Å; N166-T170 PolarHBondContact O-OG1 3.23Å; T170-S174 PolarHBondContact O-N 3.19Å; T170-S174 VanDerWaalsContact O-N 3.14Å
171	Y	93.8	Very high	86	Confident	12 Å²	12	62.2 Å²	62.2	5%	0.047	31%	0.313	C	S	.	.	H	α-helix	trans	-62.8	-51.8	178.4	174.2	-111.4	0	0	0	111.6	A77 C78 M81 F131 Y167 I168 E169 A173 S174 Q175	A77-Y171 HydrophobicContact CB-CD2 3.35Å; A77-Y171 HydrophobicContact CB-CE2 3.39Å; A77-Y171 HydrophobicContact CB-CG 4.13Å; C78-Y171 WeakPolarHBondContact CB-OH 3.39Å; M81-Y171 HydrophobicContact CE-CD1 3.53Å; M81-Y171 HydrophobicContact CE-CE1 3.31Å; M81-Y171 HydrophobicContact SD-CD1 3.98Å; M81-Y171 HydrophobicContact SD-CE1 4.37Å; F131-Y171 WeakPolarHBondContact CB-OH 3.45Å; F131-Y171 AromaticContact CD1-CE1 3.77Å; F131-Y171 HydrophobicContact CD1-CE1 3.77Å; F131-Y171 AromaticContact CD1-CZ 3.88Å; F131-Y171 WeakPolarHBondContact CD1-OH 3.39Å; F131-Y171 HydrophobicContact CE1-CE1 4.25Å; F131-Y171 PolarHBondContact O-OH 3.07Å; Y167-Y171 WeakPolarHBondContact O-CB 2.74Å; Y167-Y171 PolarHBondContact O-N 3.36Å; I168-Y171 PolarHBondContact O-N 3.26Å; E169-Y171 VanDerWaalsContact C-N 3.32Å; E169-Y171 PolarHBondContact O-N 2.95Å; Y171-A173 PolarHBondContact O-N 3.47Å; Y171-S174 WeakPolarHBondContact O-CB 3.47Å; Y171-S174 PolarHBondContact O-N 3.37Å; Y171-S174 PolarHBondContact O-OG 3.3Å; Y171-Q175 HydrophobicContact CE1-CG 4.26Å; Y171-Q175 HydrophobicContact CE2-CG 4.17Å; Y171-Q175 WeakPolarHBondContact O-CG 3.37Å; Y171-Q175 PolarHBondContact O-N 3.4Å
172	L	92.1	Very high	85.4	Confident	3 Å²	3	65.3 Å²	65.3	2%	0.016	33%	0.328	C	S	.	.	H	α-helix	trans	-68.4	-34.2	-176.3	-69.3	178.6	0	0	0	112.5	F31 F35 M81 L120 F131 I168 E169 S174 Q175 R176	F31-L172 HydrophobicContact CE1-CD2 4.11Å; F31-L172 HydrophobicContact CE2-CD1 4.41Å; F31-L172 HydrophobicContact CZ-CD1 3.8Å; F31-L172 HydrophobicContact CZ-CD2 4.08Å; F35-L172 HydrophobicContact CB-CD1 4.2Å; F35-L172 HydrophobicContact CD1-CB 3.64Å; F35-L172 HydrophobicContact CD1-CD1 3.31Å; F35-L172 HydrophobicContact CD1-CG 4.06Å; F35-L172 HydrophobicContact CD2-CD1 3.35Å; F35-L172 HydrophobicContact CE1-CB 4.01Å; F35-L172 HydrophobicContact CE1-CD1 3.39Å; F35-L172 HydrophobicContact CE1-CG 4.17Å; F35-L172 HydrophobicContact CE2-CD1 3.47Å; F35-L172 VanDerWaalsContact CE2-CD1 3.47Å; F35-L172 HydrophobicContact CG-CB 4.22Å; F35-L172 HydrophobicContact CG-CD1 3.3Å; F35-L172 HydrophobicContact CG-CG 4.36Å; F35-L172 HydrophobicContact CZ-CD1 3.51Å; M81-L172 HydrophobicContact CE-CD2 4.4Å; L120-L172 HydrophobicContact CD1-CD1 3.94Å; F131-L172 HydrophobicContact CD1-CD2 4.29Å; F131-L172 HydrophobicContact CE1-CD2 3.36Å; F131-L172 HydrophobicContact CZ-CD2 3.67Å; I168-L172 HydrophobicContact CG2-CD1 3.82Å; I168-L172 HydrophobicContact CG2-CG 4.38Å; I168-L172 WeakPolarHBondContact O-CB 3.33Å; I168-L172 WeakPolarHBondContact O-CG 3.44Å; I168-L172 PolarHBondContact O-N 3.11Å; E169-L172 PolarHBondContact O-N 2.88Å; L172-S174 VanDerWaalsContact C-N 3.27Å; L172-S174 PolarHBondContact O-N 3.5Å; L172-Q175 PolarHBondContact O-N 2.91Å; L172-Q175 VanDerWaalsContact O-N 3.08Å; L172-R176 PolarHBondContact O-N 2.82Å; L172-R176 VanDerWaalsContact O-N 3.11Å
173	A	91.4	Very high	84.8	Confident	49 Å²	49	66.1 Å²	66.1	41%	0.405	33%	0.331	S	S	.	.	H	α-helix	trans	-59.9	-36.4	170	0	0	0	0	0	112.4	E169 Y171 Q175 R176 K177	E169-A173 WeakPolarHBondContact O-CB 3.38Å; E169-A173 PolarHBondContact O-N 3.05Å; Y171-A173 PolarHBondContact O-N 3.47Å; A173-Q175 VanDerWaalsContact C-N 3.26Å; A173-Q175 PolarHBondContact O-N 3.07Å; A173-R176 PolarHBondContact O-N 2.93Å; A173-K177 PolarHBondContact O-N 2.58Å
174	S	90.2	Very high	84	Confident	44 Å²	44	66.2 Å²	66.2	31%	0.308	33%	0.333	S	S	.	.	H	α-helix	trans	-65.3	-29.3	175.6	83.1	0	0	0	0	113	T170 Y171 L172 R178	T170-S174 PolarHBondContact O-N 3.19Å; T170-S174 VanDerWaalsContact O-N 3.14Å; Y171-S174 WeakPolarHBondContact O-CB 3.47Å; Y171-S174 PolarHBondContact O-N 3.37Å; Y171-S174 PolarHBondContact O-OG 3.3Å; L172-S174 VanDerWaalsContact C-N 3.27Å; L172-S174 PolarHBondContact O-N 3.5Å; S174-R178 WeakPolarHBondContact O-CG 3.38Å; S174-R178 PolarHBondContact O-N 3.47Å
175	Q	86	Confident	83.2	Confident	6 Å²	6	70 Å²	70	3%	0.028	35%	0.352	C	S	.	.	H	α-helix	trans	-79.6	-35.5	179.6	-54.4	-61.9	-46.9	0	0	111.1	F131 Y171 L172 A173 R178 N179	F131-Q175 HydrophobicContact CD1-CB 4.31Å; F131-Q175 HydrophobicContact CD1-CG 3.7Å; F131-Q175 HydrophobicContact CE1-CB 3.91Å; F131-Q175 HydrophobicContact CE1-CG 3.68Å; Y171-Q175 HydrophobicContact CE1-CG 4.26Å; Y171-Q175 HydrophobicContact CE2-CG 4.17Å; Y171-Q175 WeakPolarHBondContact O-CG 3.37Å; Y171-Q175 PolarHBondContact O-N 3.4Å; L172-Q175 PolarHBondContact O-N 2.91Å; L172-Q175 VanDerWaalsContact O-N 3.08Å; A173-Q175 VanDerWaalsContact C-N 3.26Å; A173-Q175 PolarHBondContact O-N 3.07Å; Q175-R178 PolarHBondContact O-N 2.93Å; Q175-N179 PolarHBondContact O-N 3.27Å; Q175-N179 PolarHBondContact O-ND2 3.09Å
176	R	81.5	Confident	82.2	Confident	102 Å²	102	74.3 Å²	74.3	39%	0.385	37%	0.374	S	S	.	.	H	α-helix	trans	-58.9	-47.3	172.9	-166.6	177.1	-179.6	-172.6	-0.2	112.2	V32 E33 L172 A173 R178 N179 S180	V32-R176 HydrophobicContact CG1-CB 3.56Å; V32-R176 HydrophobicContact CG1-CG 4.06Å; E33-R176 VanDerWaalsContact CD-NE 3.31Å; E33-R176 WeakPolarHBondContact OE1-CG 3.48Å; E33-R176 IonicContact OE1-CZ 2.85Å; E33-R176 IonicContact OE1-NE 3.01Å; E33-R176 PolarHBondContact OE1-NE 3.02Å; E33-R176 IonicContact OE1-NH2 3.48Å; E33-R176 PolarHBondContact OE1-NH2 3.48Å; E33-R176 IonicContact OE2-CZ 3.69Å; E33-R176 IonicContact OE2-NE 2.56Å; E33-R176 PolarHBondContact OE2-NE 3.14Å; E33-R176 IonicContact OE2-NH2 2.65Å; E33-R176 PolarHBondContact OE2-NH2 3.1Å; L172-R176 PolarHBondContact O-N 2.82Å; L172-R176 VanDerWaalsContact O-N 3.11Å; A173-R176 PolarHBondContact O-N 2.93Å; R176-R178 VanDerWaalsContact C-N 3.29Å; R176-R178 PolarHBondContact O-N 2.72Å; R176-N179 PolarHBondContact O-N 3.28Å; R176-S180 PolarHBondContact O-N 3.2Å; R176-S180 PolarHBondContact O-OG 3.31Å
177	K	74.2	Confident	81.2	Confident	162 Å²	162	75 Å²	75	70%	0.704	38%	0.376	S	S	*	.	H	α-helix	trans	-60.5	-38.4	177.1	-70.4	-179.2	180	178.6	0	112.3	A173	A173-K177 PolarHBondContact O-N 2.58Å
178	R	68	Low	80	Confident	153 Å²	153	78.9 Å²	78.9	58%	0.577	40%	0.397	S	S	*	.	H	α-helix	trans	-70.7	-34.1	178.6	-78	175.3	133.5	162.9	1.2	113.8	S174 Q175 R176 S180	S174-R178 WeakPolarHBondContact O-CG 3.38Å; S174-R178 PolarHBondContact O-N 3.47Å; Q175-R178 PolarHBondContact O-N 2.93Å; R176-R178 VanDerWaalsContact C-N 3.29Å; R176-R178 PolarHBondContact O-N 2.72Å; R178-S180 VanDerWaalsContact C-N 3.3Å
179	N	59.1	Low	78.8	Confident	78 Å²	78	85 Å²	85	42%	0.417	43%	0.428	S	S	.	.	H	α-helix	trans	-82.6	-9.3	-179.9	-66.9	-19.3	0	0	0	113.1	Q175 R176	Q175-N179 PolarHBondContact O-N 3.27Å; Q175-N179 PolarHBondContact O-ND2 3.09Å; R176-N179 PolarHBondContact O-N 3.28Å
180	S	56.3	Low	77.4	Confident	92 Å²	92	85.7 Å²	85.7	64%	0.643	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	0.3	176.5	-53	0	0	0	0	113.3	R176 R178	R176-S180 PolarHBondContact O-N 3.2Å; R176-S180 PolarHBondContact O-OG 3.31Å; R178-S180 VanDerWaalsContact C-N 3.3Å
181	Q	41	Very low	75.8	Confident	228 Å²	228	84.5 Å²	84.5	100%	1.065	42%	0.418	S	S	*	.			trans	-108.5	0	174.7	-81.8	-179	-24.4	0	0	110

Retrieved 181 of 181 residues in 87.8 ms (Link to these results)

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