A0A087XP08_POEFO Loading...

Monocyte to macrophage differentiation associated 2

AlphaFold DB , UniProt , Accession A0A087XP08, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 245 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	L	48.5	Very low	52.9	Low	224 Å²	224	106.2 Å²	106.2	100%	1.173	57%	0.568	S	S	*	*				0	91.9	0	-82.3	151.6	0	0	0	108.2	T3	L1-T3 PolarHBondContact O-N 3.3Å
2	M	49.7	Very low	52.6	Low	123 Å²	123	105.6 Å²	105.6	61%	0.606	56%	0.564	S	S	*	*			trans	-66.4	124.3	169.3	-87.7	174.2	173.4	0	0	108
3	T	59.8	Low	52.3	Low	84 Å²	84	104.9 Å²	104.9	52%	0.515	56%	0.556	S	S	.	*			trans	-67.8	147.4	179.1	43.9	0	0	0	0	110.4	L1 S5 H6 L7	L1-T3 PolarHBondContact O-N 3.3Å; T3-S5 PolarHBondContact O-N 2.9Å; T3-S5 PolarHBondContact OG1-OG 2.99Å; T3-H6 WeakPolarHBondContact O-CA 3.34Å; T3-H6 WeakPolarHBondContact O-CB 3.38Å; T3-H6 PolarHBondContact O-N 3.39Å; T3-L7 PolarHBondContact O-N 3.15Å
4	V	62.3	Low	52	Low	107 Å²	107	109.9 Å²	109.9	65%	0.648	56%	0.563	S	S	*	*	H	α-helix	trans	-55.3	-26.6	-179.8	175.2	0	0	0	0	112.6	K8	V4-K8 WeakPolarHBondContact O-CG 3.09Å; V4-K8 PolarHBondContact O-N 3.31Å
5	S	54.4	Low	51.8	Low	83 Å²	83	112 Å²	112	58%	0.58	57%	0.567	S	S	*	*	H	α-helix	trans	-66.6	-39.6	172.3	52.1	0	0	0	0	112.9	T3 K8 S9	T3-S5 PolarHBondContact O-N 2.9Å; T3-S5 PolarHBondContact OG1-OG 2.99Å; S5-K8 PolarHBondContact O-N 3.26Å; S5-S9 WeakPolarHBondContact O-CB 3.44Å; S5-S9 PolarHBondContact O-N 3.12Å
6	H	50.8	Low	51.5	Low	89 Å²	89	110.3 Å²	110.3	41%	0.412	55%	0.554	S	S	.	*	H	α-helix	trans	-68.2	-42.5	178.3	-150.1	-35.5	0	0	0	111.1	T3 S9 E10	T3-H6 WeakPolarHBondContact O-CA 3.34Å; T3-H6 WeakPolarHBondContact O-CB 3.38Å; T3-H6 PolarHBondContact O-N 3.39Å; H6-S9 WeakPolarHBondContact CA-OG 3.16Å; H6-S9 PolarHBondContact O-N 2.85Å; H6-S9 PolarHBondContact O-OG 2.89Å; H6-E10 PolarHBondContact O-N 3.03Å
7	L	52.4	Low	51.2	Low	83 Å²	83	108.5 Å²	108.5	44%	0.435	55%	0.545	S	S	.	.	H	α-helix	trans	-62.5	-41.6	173.3	-95.6	147.8	0	0	0	112.6	T3 E10 L11	T3-L7 PolarHBondContact O-N 3.15Å; L7-E10 PolarHBondContact O-N 3.08Å; L7-L11 VanDerWaalsContact O-CB 3.25Å; L7-L11 WeakPolarHBondContact O-CB 3.28Å; L7-L11 WeakPolarHBondContact O-CD1 3.36Å; L7-L11 VanDerWaalsContact O-CG 3.24Å; L7-L11 WeakPolarHBondContact O-CG 3.36Å; L7-L11 PolarHBondContact O-N 3.19Å
8	K	51.1	Low	51.1	Low	137 Å²	137	104.5 Å²	104.5	60%	0.596	53%	0.526	S	S	*	.	H	α-helix	trans	-64.2	-40.2	173.2	-81.5	-177.3	176.6	-177	0	112	V4 S5 L11 L12	V4-K8 WeakPolarHBondContact O-CG 3.09Å; V4-K8 PolarHBondContact O-N 3.31Å; S5-K8 PolarHBondContact O-N 3.26Å; K8-L11 PolarHBondContact O-N 2.74Å; K8-L12 VanDerWaalsContact O-CB 3.3Å; K8-L12 WeakPolarHBondContact O-CB 3.5Å; K8-L12 WeakPolarHBondContact O-CD1 3.37Å; K8-L12 WeakPolarHBondContact O-CG 3.41Å; K8-L12 PolarHBondContact O-N 2.8Å
9	S	50.8	Low	50.9	Low	50 Å²	50	104.9 Å²	104.9	35%	0.35	53%	0.53	S	S	.	.	H	α-helix	trans	-66.3	-39.7	177.4	73.1	0	0	0	0	112.5	S5 H6 L12 Q13	S5-S9 WeakPolarHBondContact O-CB 3.44Å; S5-S9 PolarHBondContact O-N 3.12Å; H6-S9 WeakPolarHBondContact CA-OG 3.16Å; H6-S9 PolarHBondContact O-N 2.85Å; H6-S9 PolarHBondContact O-OG 2.89Å; S9-L12 PolarHBondContact O-N 2.99Å; S9-Q13 WeakPolarHBondContact O-CB 3.15Å; S9-Q13 PolarHBondContact O-N 3.17Å
10	E	51.3	Low	50.6	Low	85 Å²	85	112 Å²	112	40%	0.397	55%	0.549	S	S	.	.	H	α-helix	trans	-70.5	-38.7	175.2	-75.5	-164.6	162.8	0	0	112	H6 L7 Q13 W14	H6-E10 PolarHBondContact O-N 3.03Å; L7-E10 PolarHBondContact O-N 3.08Å; E10-Q13 PolarHBondContact O-N 3.01Å; E10-W14 VanDerWaalsContact O-CB 3.29Å; E10-W14 WeakPolarHBondContact O-CB 3.26Å; E10-W14 PolarHBondContact O-N 3.46Å
11	L	50.8	Low	50.3	Low	103 Å²	103	109.2 Å²	109.2	54%	0.539	54%	0.539	S	S	.	.	H	α-helix	trans	-67.1	-37.2	174.6	-78.9	163.8	0	0	0	112.2	L7 K8 W14 K15	L7-L11 VanDerWaalsContact O-CB 3.25Å; L7-L11 WeakPolarHBondContact O-CB 3.28Å; L7-L11 WeakPolarHBondContact O-CD1 3.36Å; L7-L11 VanDerWaalsContact O-CG 3.24Å; L7-L11 WeakPolarHBondContact O-CG 3.36Å; L7-L11 PolarHBondContact O-N 3.19Å; K8-L11 PolarHBondContact O-N 2.74Å; L11-W14 PolarHBondContact O-N 3.26Å; L11-K15 WeakPolarHBondContact O-CB 3.33Å; L11-K15 PolarHBondContact O-N 3.5Å
12	L	49.4	Very low	50.5	Low	99 Å²	99	101.8 Å²	101.8	52%	0.518	50%	0.504	S	S	.	.	H	α-helix	trans	-66.8	-46.1	172.3	-74	164.1	0	0	0	110.3	K8 S9 W14 K15 F16	K8-L12 VanDerWaalsContact O-CB 3.3Å; K8-L12 WeakPolarHBondContact O-CB 3.5Å; K8-L12 WeakPolarHBondContact O-CD1 3.37Å; K8-L12 WeakPolarHBondContact O-CG 3.41Å; K8-L12 PolarHBondContact O-N 2.8Å; S9-L12 PolarHBondContact O-N 2.99Å; L12-W14 VanDerWaalsContact C-N 3.33Å; L12-W14 PolarHBondContact O-N 3.41Å; L12-K15 PolarHBondContact O-N 2.96Å; L12-F16 HydrophobicContact CD2-CD2 4.36Å; L12-F16 HydrophobicContact CD2-CE2 3.76Å; L12-F16 WeakPolarHBondContact O-CB 3.4Å; L12-F16 WeakPolarHBondContact O-CD2 3.16Å; L12-F16 PolarHBondContact O-N 2.7Å; L12-F16 VanDerWaalsContact O-N 3.1Å
13	Q	49.1	Very low	50.3	Low	97 Å²	97	102.5 Å²	102.5	45%	0.453	52%	0.518	S	S	.	.	H	α-helix	trans	-56	-46.9	172.2	-88.8	178	-45.1	0	0	111.5	S9 E10 K15 F16 M17	S9-Q13 WeakPolarHBondContact O-CB 3.15Å; S9-Q13 PolarHBondContact O-N 3.17Å; E10-Q13 PolarHBondContact O-N 3.01Å; Q13-K15 PolarHBondContact O-N 3.17Å; Q13-F16 PolarHBondContact O-N 3.33Å; Q13-M17 HydrophobicContact CB-SD 4.03Å; Q13-M17 HydrophobicContact CG-SD 4.08Å; Q13-M17 WeakPolarHBondContact O-CA 3.35Å; Q13-M17 WeakPolarHBondContact O-CB 3.45Å; Q13-M17 VanDerWaalsContact O-CG 3.27Å; Q13-M17 WeakPolarHBondContact O-CG 3.25Å; Q13-M17 PolarHBondContact O-N 3.42Å
14	W	47.5	Very low	50.1	Low	174 Å²	174	106.2 Å²	106.2	66%	0.659	54%	0.535	S	S	*	.	H	α-helix	trans	-67.2	-35.3	-179.8	-172	78	0	0	0	113.2	E10 L11 L12 F16	E10-W14 VanDerWaalsContact O-CB 3.29Å; E10-W14 WeakPolarHBondContact O-CB 3.26Å; E10-W14 PolarHBondContact O-N 3.46Å; L11-W14 PolarHBondContact O-N 3.26Å; L12-W14 VanDerWaalsContact C-N 3.33Å; L12-W14 PolarHBondContact O-N 3.41Å; W14-F16 VanDerWaalsContact C-N 3.34Å
15	K	49.8	Very low	49.3	Very low	142 Å²	142	108.6 Å²	108.6	62%	0.617	54%	0.536	S	S	*	.	H	α-helix	trans	-72.5	-27.5	179	-166.2	174	-176.7	-178.5	0	112.8	L11 L12 Q13 Y32	L11-K15 WeakPolarHBondContact O-CB 3.33Å; L11-K15 PolarHBondContact O-N 3.5Å; L12-K15 PolarHBondContact O-N 2.96Å; Q13-K15 PolarHBondContact O-N 3.17Å; K15-Y32 PolarHBondContact O-OH 2.92Å
16	F	46.7	Very low	48.9	Very low	84 Å²	84	111.3 Å²	111.3	37%	0.368	53%	0.534	S	S	.	.	H	α-helix	trans	-111.5	-14.1	-174.7	-68.6	-64	0	0	0	114.9	L12 Q13 W14 Y32 F209	L12-F16 HydrophobicContact CD2-CD2 4.36Å; L12-F16 HydrophobicContact CD2-CE2 3.76Å; L12-F16 WeakPolarHBondContact O-CB 3.4Å; L12-F16 WeakPolarHBondContact O-CD2 3.16Å; L12-F16 PolarHBondContact O-N 2.7Å; L12-F16 VanDerWaalsContact O-N 3.1Å; Q13-F16 PolarHBondContact O-N 3.33Å; W14-F16 VanDerWaalsContact C-N 3.34Å; F16-Y32 WeakPolarHBondContact CA-OH 3.17Å; F16-Y32 HydrophobicContact CD1-CD2 4.29Å; F16-Y32 AromaticContact CD1-CE2 3.73Å; F16-Y32 HydrophobicContact CD1-CE2 3.73Å; F16-Y32 HydrophobicContact CE1-CE2 4.42Å; F16-F209 HydrophobicContact CB-CE2 3.63Å; F16-F209 HydrophobicContact CB-CZ 3.75Å; F16-F209 HydrophobicContact CD1-CE2 4.31Å; F16-F209 AromaticContact CD1-CZ 3.93Å; F16-F209 HydrophobicContact CD1-CZ 3.93Å; F16-F209 HydrophobicContact CG-CE2 4.1Å; F16-F209 HydrophobicContact CG-CZ 4.12Å
17	M	46.1	Very low	48.9	Very low	80 Å²	80	113.2 Å²	113.2	39%	0.394	54%	0.538	S	S	.	.	S	Bend	trans	-93.9	131.5	170.2	-70.3	170.9	61.2	0	0	109.4	Q13 P208	Q13-M17 HydrophobicContact CB-SD 4.03Å; Q13-M17 HydrophobicContact CG-SD 4.08Å; Q13-M17 WeakPolarHBondContact O-CA 3.35Å; Q13-M17 WeakPolarHBondContact O-CB 3.45Å; Q13-M17 VanDerWaalsContact O-CG 3.27Å; Q13-M17 WeakPolarHBondContact O-CG 3.25Å; Q13-M17 PolarHBondContact O-N 3.42Å; M17-P208 HydrophobicContact CG-CB 3.71Å; M17-P208 HydrophobicContact CG-CG 4.19Å; M17-P208 HydrophobicContact SD-CB 4.33Å; M17-P208 HydrophobicContact SD-CG 4.18Å
18	N	49.2	Very low	48.9	Very low	37 Å²	37	116.9 Å²	116.9	20%	0.198	55%	0.553	C	S	.	*	P	Polyproline II helix	trans	-63.4	138.9	166.1	-105.9	17.1	0	0	0	110.4	Y27 Q28 P29 T30	N18-Y27 HydrophobicContact CB-CD2 4.31Å; N18-Y27 HydrophobicContact CB-CE2 3.38Å; N18-Y27 WeakPolarHBondContact ND2-CE2 3.48Å; N18-Y27 VanDerWaalsContact ND2-CZ 3.28Å; N18-Q28 PolarHBondContact ND2-O 3.24Å; N18-P29 WeakPolarHBondContact ND2-CA 3.27Å; N18-T30 PolarHBondContact OD1-OG1 3.25Å
19	N	46.7	Very low	49.1	Very low	113 Å²	113	112 Å²	112	60%	0.604	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-54.8	144.1	168.3	-73.7	-45.9	0	0	0	110.3	V21	N19-V21 PolarHBondContact O-N 3.45Å
20	R	45.2	Very low	49.4	Very low	245 Å²	245	112.4 Å²	112.4	93%	0.925	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-53.9	128.2	172.1	-84.2	-172.5	178.6	-176.7	1	109.1
21	V	45.4	Very low	49.6	Very low	55 Å²	55	113.7 Å²	113.7	33%	0.333	55%	0.546	S	S	.	.	P	Polyproline II helix	trans	-70.6	128.9	-175.9	-161.3	0	0	0	0	109.2	N19 K25 R26 Y27	N19-V21 PolarHBondContact O-N 3.45Å; V21-K25 VanDerWaalsContact CG1-C 3.42Å; V21-K25 HydrophobicContact CG1-CB 4.01Å; V21-K25 WeakPolarHBondContact CG1-O 3.49Å; V21-R26 VanDerWaalsContact CG1-C 3.47Å; V21-Y27 HydrophobicContact CG2-CD2 3.48Å; V21-Y27 VanDerWaalsContact CG2-CD2 3.48Å; V21-Y27 HydrophobicContact CG2-CG 4.04Å
22	P	52.9	Low	49.8	Very low	68 Å²	68	112.4 Å²	112.4	44%	0.442	53%	0.534	S	S	.	.	P	Polyproline II helix	trans	-55.7	146.7	169.2	-23.4	32.2	0	0	0	110.6	N24 K25	P22-N24 PolarHBondContact O-N 2.77Å; P22-K25 HydrophobicContact CB-CB 4.36Å; P22-K25 HydrophobicContact CB-CG 4.39Å; P22-K25 HydrophobicContact CG-CB 4.38Å; P22-K25 HydrophobicContact CG-CD 4.22Å; P22-K25 HydrophobicContact CG-CG 4.44Å; P22-K25 PolarHBondContact O-N 3.27Å
23	P	44.3	Very low	50	Low	138 Å²	138	108.1 Å²	108.1	90%	0.896	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-20.1	-175.5	17.6	-28.9	0	0	0	114.6
24	N	56.5	Low	50.2	Low	162 Å²	162	105.3 Å²	105.3	87%	0.866	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.3	12.8	177.3	-79.5	-3.7	0	0	0	114.6	P22	P22-N24 PolarHBondContact O-N 2.77Å
25	K	45.9	Very low	50.7	Low	156 Å²	156	101.8 Å²	101.8	68%	0.678	49%	0.489	S	S	*	.	S	Bend	trans	-123.4	155	176.2	-68.3	-168.4	-179.6	-178.5	0	110.3	V21 P22	V21-K25 VanDerWaalsContact CG1-C 3.42Å; V21-K25 HydrophobicContact CG1-CB 4.01Å; V21-K25 WeakPolarHBondContact CG1-O 3.49Å; P22-K25 HydrophobicContact CB-CB 4.36Å; P22-K25 HydrophobicContact CB-CG 4.39Å; P22-K25 HydrophobicContact CG-CB 4.38Å; P22-K25 HydrophobicContact CG-CD 4.22Å; P22-K25 HydrophobicContact CG-CG 4.44Å; P22-K25 PolarHBondContact O-N 3.27Å
26	R	45.3	Very low	51	Low	141 Å²	141	98.8 Å²	98.8	53%	0.532	48%	0.479	S	S	.	.			trans	-86	144.5	175.8	-142.8	174.7	-169.5	-167.7	-3	108.9	V21 Q28 S93	V21-R26 VanDerWaalsContact CG1-C 3.47Å; R26-Q28 PolarHBondContact O-N 3.34Å; R26-Q28 VanDerWaalsContact O-N 3.15Å; R26-S93 PolarHBondContact NH1-O 2.85Å; R26-S93 PolarHBondContact NH1-OG 3.1Å; R26-S93 PolarHBondContact NH2-O 3.21Å
27	Y	49.8	Very low	51.3	Low	128 Å²	128	97.1 Å²	97.1	50%	0.502	47%	0.472	S	S	.	.			trans	-58.8	117.2	171.1	-177.8	-106.5	0	0	0	108.8	N18 V21 P29	N18-Y27 HydrophobicContact CB-CD2 4.31Å; N18-Y27 HydrophobicContact CB-CE2 3.38Å; N18-Y27 WeakPolarHBondContact ND2-CE2 3.48Å; N18-Y27 VanDerWaalsContact ND2-CZ 3.28Å; V21-Y27 HydrophobicContact CG2-CD2 3.48Å; V21-Y27 VanDerWaalsContact CG2-CD2 3.48Å; V21-Y27 HydrophobicContact CG2-CG 4.04Å; Y27-P29 HydrophobicContact CD1-CB 4.43Å; Y27-P29 HydrophobicContact CD1-CG 4.17Å; Y27-P29 HydrophobicContact CE1-CB 3.74Å; Y27-P29 HydrophobicContact CE1-CG 3.9Å; Y27-P29 WeakPolarHBondContact O-CD 3.35Å
28	Q	53.1	Low	51.9	Low	161 Å²	161	95.5 Å²	95.5	75%	0.752	46%	0.463	S	S	*	.			trans	-112.4	91.2	175.7	-71.7	-161.9	-5.9	0	0	108.8	N18 R26	N18-Q28 PolarHBondContact ND2-O 3.24Å; R26-Q28 PolarHBondContact O-N 3.34Å; R26-Q28 VanDerWaalsContact O-N 3.15Å
29	P	55.3	Low	52.3	Low	35 Å²	35	97.1 Å²	97.1	23%	0.227	47%	0.472	C	S	.	.			trans	-59.7	136.1	173.9	23.4	-28.1	0	0	0	110.2	N18 Y27 L34	N18-P29 WeakPolarHBondContact ND2-CA 3.27Å; Y27-P29 HydrophobicContact CD1-CB 4.43Å; Y27-P29 HydrophobicContact CD1-CG 4.17Å; Y27-P29 HydrophobicContact CE1-CB 3.74Å; Y27-P29 HydrophobicContact CE1-CG 3.9Å; Y27-P29 WeakPolarHBondContact O-CD 3.35Å; P29-L34 HydrophobicContact CB-CD1 3.87Å; P29-L34 HydrophobicContact CG-CD1 3.46Å; P29-L34 VanDerWaalsContact CG-CD1 3.46Å; P29-L34 HydrophobicContact CG-CD2 4.28Å; P29-L34 HydrophobicContact CG-CG 4.45Å
30	T	57	Low	53	Low	57 Å²	57	94 Å²	94	35%	0.35	46%	0.457	S	S	.	.			trans	-62.8	145.6	175.3	-24.2	0	0	0	0	111	N18 Y32 V33 L34	N18-T30 PolarHBondContact OD1-OG1 3.25Å; T30-Y32 VanDerWaalsContact CB-CD1 3.48Å; T30-Y32 HydrophobicContact CG2-CD1 3.49Å; T30-Y32 VanDerWaalsContact CG2-CD1 3.49Å; T30-Y32 HydrophobicContact CG2-CE1 3.29Å; T30-Y32 PolarHBondContact O-N 3.07Å; T30-Y32 WeakPolarHBondContact OG1-CE1 3.44Å; T30-Y32 PolarHBondContact OG1-OH 3.34Å; T30-V33 PolarHBondContact O-N 3.14Å; T30-L34 PolarHBondContact O-N 2.79Å
31	D	56.7	Low	53.8	Low	113 Å²	113	82.5 Å²	82.5	60%	0.604	41%	0.414	S	S	*	.	H	α-helix	trans	-51.9	-30.8	-175.9	-66.5	-43.1	0	0	0	113.7	K35 W90	D31-K35 VanDerWaalsContact O-CB 3.22Å; D31-K35 WeakPolarHBondContact O-CB 3.34Å; D31-K35 PolarHBondContact O-N 3.46Å; D31-W90 HydrophobicContact CB-CH2 4.39Å; D31-W90 HydrophobicContact CB-CZ2 4.45Å; D31-W90 WeakPolarHBondContact O-CH2 3.33Å
32	Y	54.5	Low	55.1	Low	75 Å²	75	82.7 Å²	82.7	29%	0.294	42%	0.415	S	S	.	.	H	α-helix	trans	-69	-42.4	177.5	68.9	-100.1	0	0	0	113.6	K15 F16 T30 L34 K35 I36	K15-Y32 PolarHBondContact O-OH 2.92Å; F16-Y32 WeakPolarHBondContact CA-OH 3.17Å; F16-Y32 HydrophobicContact CD1-CD2 4.29Å; F16-Y32 AromaticContact CD1-CE2 3.73Å; F16-Y32 HydrophobicContact CD1-CE2 3.73Å; F16-Y32 HydrophobicContact CE1-CE2 4.42Å; T30-Y32 VanDerWaalsContact CB-CD1 3.48Å; T30-Y32 HydrophobicContact CG2-CD1 3.49Å; T30-Y32 VanDerWaalsContact CG2-CD1 3.49Å; T30-Y32 HydrophobicContact CG2-CE1 3.29Å; T30-Y32 PolarHBondContact O-N 3.07Å; T30-Y32 WeakPolarHBondContact OG1-CE1 3.44Å; T30-Y32 PolarHBondContact OG1-OH 3.34Å; Y32-L34 PolarHBondContact O-N 2.56Å; Y32-K35 PolarHBondContact O-N 3.45Å; Y32-I36 WeakPolarHBondContact O-CD1 3.5Å; Y32-I36 VanDerWaalsContact O-CG1 3.24Å; Y32-I36 WeakPolarHBondContact O-CG1 3.31Å; Y32-I36 PolarHBondContact O-N 3.44Å; Y32-I36 VanDerWaalsContact O-N 3.09Å
33	V	52.4	Low	56.4	Low	10 Å²	10	85.3 Å²	85.3	6%	0.061	42%	0.423	C	S	.	.	H	α-helix	trans	-63.1	-39.5	177.9	177.8	0	0	0	0	109.3	T30 K37 F209	T30-V33 PolarHBondContact O-N 3.14Å; V33-K37 WeakPolarHBondContact O-CG 3.46Å; V33-K37 PolarHBondContact O-N 3.39Å; V33-K37 VanDerWaalsContact O-N 3.11Å; V33-F209 HydrophobicContact CB-CE1 4.44Å; V33-F209 HydrophobicContact CG1-CD1 4.47Å; V33-F209 HydrophobicContact CG1-CE1 4.07Å; V33-F209 HydrophobicContact CG2-CE1 4.08Å; V33-F209 HydrophobicContact CG2-CZ 4.5Å
34	L	54.8	Low	58.4	Low	37 Å²	37	81.8 Å²	81.8	19%	0.194	39%	0.392	C	S	.	.	H	α-helix	trans	-74.3	-37.9	-174.2	-145.4	71.1	0	0	0	109.9	P29 T30 Y32 K37 Q38 W90	P29-L34 HydrophobicContact CB-CD1 3.87Å; P29-L34 HydrophobicContact CG-CD1 3.46Å; P29-L34 VanDerWaalsContact CG-CD1 3.46Å; P29-L34 HydrophobicContact CG-CD2 4.28Å; P29-L34 HydrophobicContact CG-CG 4.45Å; T30-L34 PolarHBondContact O-N 2.79Å; Y32-L34 PolarHBondContact O-N 2.56Å; L34-K37 PolarHBondContact O-N 3.35Å; L34-Q38 PolarHBondContact O-N 3.05Å; L34-Q38 VanDerWaalsContact O-N 3.09Å; L34-W90 HydrophobicContact CB-CD2 4.28Å; L34-W90 HydrophobicContact CB-CE3 3.55Å; L34-W90 HydrophobicContact CB-CH2 3.55Å; L34-W90 HydrophobicContact CB-CZ2 4.28Å; L34-W90 HydrophobicContact CB-CZ3 3.21Å; L34-W90 HydrophobicContact CD2-CB 4.03Å; L34-W90 HydrophobicContact CD2-CD2 3.14Å; L34-W90 HydrophobicContact CD2-CE3 3.27Å; L34-W90 HydrophobicContact CD2-CG 3.59Å; L34-W90 HydrophobicContact CD2-CH2 3.94Å; L34-W90 HydrophobicContact CD2-CZ2 3.84Å; L34-W90 HydrophobicContact CD2-CZ3 3.73Å; L34-W90 HydrophobicContact CG-CD2 3.65Å; L34-W90 HydrophobicContact CG-CE3 3.17Å; L34-W90 HydrophobicContact CG-CG 4.33Å; L34-W90 HydrophobicContact CG-CH2 4.05Å; L34-W90 HydrophobicContact CG-CZ2 4.45Å; L34-W90 HydrophobicContact CG-CZ3 3.47Å; L34-W90 VanDerWaalsContact CG-CZ3 3.47Å; L34-W90 WeakPolarHBondContact O-CZ3 3.4Å
35	K	56.4	Low	59.9	Low	101 Å²	101	75.6 Å²	75.6	44%	0.439	36%	0.358	S	S	.	.	H	α-helix	trans	-66	-44.2	176.4	-176.4	62.2	174.8	136.9	0	111.2	D31 Y32 K37 Q38 D39 W90	D31-K35 VanDerWaalsContact O-CB 3.22Å; D31-K35 WeakPolarHBondContact O-CB 3.34Å; D31-K35 PolarHBondContact O-N 3.46Å; Y32-K35 PolarHBondContact O-N 3.45Å; K35-K37 VanDerWaalsContact C-N 3.35Å; K35-K37 PolarHBondContact O-N 3.27Å; K35-Q38 PolarHBondContact O-N 3.4Å; K35-D39 VanDerWaalsContact CE-OD2 3.24Å; K35-D39 WeakPolarHBondContact CE-OD2 3.45Å; K35-D39 IonicContact NZ-OD1 2.81Å; K35-D39 PolarHBondContact NZ-OD1 3.14Å; K35-D39 IonicContact NZ-OD2 3.14Å; K35-D39 PolarHBondContact NZ-OD2 3.25Å; K35-D39 VanDerWaalsContact NZ-OD2 3.14Å; K35-D39 WeakPolarHBondContact O-CB 3.35Å; K35-D39 PolarHBondContact O-N 3.37Å; K35-W90 HydrophobicContact CB-CH2 4.4Å; K35-W90 HydrophobicContact CB-CZ3 4.36Å
36	I	56	Low	61.9	Low	78 Å²	78	73.6 Å²	73.6	40%	0.4	35%	0.354	S	S	.	.	H	α-helix	trans	-59.6	-44.9	175.1	-68.1	166.1	0	0	0	110.8	Y32 Q38 D39 T40	Y32-I36 WeakPolarHBondContact O-CD1 3.5Å; Y32-I36 VanDerWaalsContact O-CG1 3.24Å; Y32-I36 WeakPolarHBondContact O-CG1 3.31Å; Y32-I36 PolarHBondContact O-N 3.44Å; Y32-I36 VanDerWaalsContact O-N 3.09Å; I36-Q38 PolarHBondContact O-N 3.21Å; I36-D39 PolarHBondContact O-N 3.03Å; I36-T40 HydrophobicContact CG2-CG2 4.42Å; I36-T40 WeakPolarHBondContact O-CG2 3.4Å; I36-T40 PolarHBondContact O-N 2.87Å; I36-T40 PolarHBondContact O-OG1 2.97Å
37	K	53.9	Low	64.2	Low	49 Å²	49	69.8 Å²	69.8	21%	0.213	35%	0.348	C	S	.	.	H	α-helix	trans	-63.3	-38	178.5	-76.2	-173.3	176.4	-152.4	0	113.6	V33 L34 K35 T40	V33-K37 WeakPolarHBondContact O-CG 3.46Å; V33-K37 PolarHBondContact O-N 3.39Å; V33-K37 VanDerWaalsContact O-N 3.11Å; L34-K37 PolarHBondContact O-N 3.35Å; K35-K37 VanDerWaalsContact C-N 3.35Å; K35-K37 PolarHBondContact O-N 3.27Å; K37-T40 PolarHBondContact O-OG1 3.44Å
38	Q	59	Low	66.2	Low	47 Å²	47	63.9 Å²	63.9	22%	0.22	33%	0.325	C	S	.	.	H	α-helix	trans	-71.9	-40.9	177.4	-174.9	179.7	-33	0	0	111.7	L34 K35 I36 T42	L34-Q38 PolarHBondContact O-N 3.05Å; L34-Q38 VanDerWaalsContact O-N 3.09Å; K35-Q38 PolarHBondContact O-N 3.4Å; I36-Q38 PolarHBondContact O-N 3.21Å; Q38-T42 WeakPolarHBondContact O-CB 3.32Å; Q38-T42 PolarHBondContact O-N 3.25Å; Q38-T42 PolarHBondContact O-OG1 3.38Å
39	D	57.3	Low	68.1	Low	70 Å²	70	60.1 Å²	60.1	37%	0.374	31%	0.309	S	S	.	.	H	α-helix	trans	-71.7	-34.1	-177.5	-68	-15.3	0	0	0	111.3	K35 I36 H41 M43	K35-D39 VanDerWaalsContact CE-OD2 3.24Å; K35-D39 WeakPolarHBondContact CE-OD2 3.45Å; K35-D39 IonicContact NZ-OD1 2.81Å; K35-D39 PolarHBondContact NZ-OD1 3.14Å; K35-D39 IonicContact NZ-OD2 3.14Å; K35-D39 PolarHBondContact NZ-OD2 3.25Å; K35-D39 VanDerWaalsContact NZ-OD2 3.14Å; K35-D39 WeakPolarHBondContact O-CB 3.35Å; K35-D39 PolarHBondContact O-N 3.37Å; I36-D39 PolarHBondContact O-N 3.03Å; D39-H41 VanDerWaalsContact C-N 3.31Å; D39-H41 PolarHBondContact O-N 3.49Å; D39-M43 WeakPolarHBondContact O-CB 3.29Å; D39-M43 PolarHBondContact O-N 3.02Å
40	T	60.9	Low	70	Confident	47 Å²	47	63.9 Å²	63.9	29%	0.288	33%	0.327	S	S	.	.	H	α-helix	trans	-61.9	-35.2	177.6	47.1	0	0	0	0	113.3	I36 K37 W44	I36-T40 HydrophobicContact CG2-CG2 4.42Å; I36-T40 WeakPolarHBondContact O-CG2 3.4Å; I36-T40 PolarHBondContact O-N 2.87Å; I36-T40 PolarHBondContact O-OG1 2.97Å; K37-T40 PolarHBondContact O-OG1 3.44Å; T40-W44 PolarHBondContact O-NE1 3.47Å
41	H	63.3	Low	71.7	Confident	4 Å²	4	61.5 Å²	61.5	2%	0.019	31%	0.314	C	S	.	.	H	α-helix	trans	-89	-40.7	-178.4	-80.1	-56.1	0	0	0	113.8	D39 M43 W44 S82 T83 H86 H215	D39-H41 VanDerWaalsContact C-N 3.31Å; D39-H41 PolarHBondContact O-N 3.49Å; H41-M43 PolarHBondContact O-N 2.83Å; H41-W44 PolarHBondContact O-N 3.23Å; H41-S82 PolarHBondContact CD2-OG 3.5Å; H41-S82 VanDerWaalsContact CD2-OG 3.22Å; H41-S82 PolarHBondContact CE1-OG 3.47Å; H41-S82 VanDerWaalsContact CE1-OG 3.24Å; H41-S82 PolarHBondContact NE2-OG 2.96Å; H41-T83 VanDerWaalsContact CB-OG1 3.3Å; H41-T83 WeakPolarHBondContact CB-OG1 3.49Å; H41-H86 AromaticContact CD2-CD2 3.59Å; H41-H86 AromaticContact CD2-NE2 3.95Å; H41-H86 AromaticContact NE2-NE2 3.98Å; H41-H215 AromaticContact CE1-CD2 3.65Å; H41-H215 AromaticContact CE1-CE1 3.48Å; H41-H215 PolarHBondContact CE1-CE1 2.91Å; H41-H215 VanDerWaalsContact CE1-CE1 3.48Å; H41-H215 AromaticContact CE1-CG 3.16Å; H41-H215 AromaticContact CE1-ND1 3.05Å; H41-H215 PolarHBondContact CE1-ND1 3.36Å; H41-H215 AromaticContact CE1-NE2 3.81Å; H41-H215 AromaticContact NE2-CD2 3.03Å; H41-H215 PolarHBondContact NE2-CD2 3.09Å; H41-H215 AromaticContact NE2-CE1 3.28Å; H41-H215 PolarHBondContact NE2-CE1 2.75Å; H41-H215 VanDerWaalsContact NE2-CE1 3.28Å; H41-H215 AromaticContact NE2-CG 3.07Å; H41-H215 AromaticContact NE2-ND1 3.25Å; H41-H215 PolarHBondContact NE2-ND1 3.37Å; H41-H215 AromaticContact NE2-NE2 3.16Å; H41-H215 PolarHBondContact NE2-NE2 3.17Å; H41-H215 VanDerWaalsContact NE2-NE2 3.16Å
42	T	71.3	Confident	73.5	Confident	60 Å²	60	57.4 Å²	57.4	37%	0.368	29%	0.294	S	S	.	.	H	α-helix	trans	-57.7	-34.9	177.5	-52	0	0	0	0	110.7	Q38 W44 I45	Q38-T42 WeakPolarHBondContact O-CB 3.32Å; Q38-T42 PolarHBondContact O-N 3.25Å; Q38-T42 PolarHBondContact O-OG1 3.38Å; T42-W44 VanDerWaalsContact C-N 3.27Å; T42-W44 PolarHBondContact O-N 3.45Å; T42-I45 PolarHBondContact O-N 3.19Å
43	M	81.1	Confident	75.4	Confident	123 Å²	123	57.4 Å²	57.4	61%	0.606	31%	0.305	S	S	*	.	H	α-helix	trans	-57.4	-36	175.9	-178.6	176.6	172.6	0	0	113.3	D39 H41 P47	D39-M43 WeakPolarHBondContact O-CB 3.29Å; D39-M43 PolarHBondContact O-N 3.02Å; H41-M43 PolarHBondContact O-N 2.83Å; M43-P47 WeakPolarHBondContact O-CD 3.34Å; M43-P47 WeakPolarHBondContact O-CG 3.01Å
44	W	85.5	Confident	77.4	Confident	64 Å²	64	60 Å²	60	24%	0.242	32%	0.318	C	S	.	.	H	α-helix	trans	-87.5	-12.7	-175.3	-61.5	114	0	0	0	114.1	T40 H41 T42 P47 S48 F79 L216 A219	T40-W44 PolarHBondContact O-NE1 3.47Å; H41-W44 PolarHBondContact O-N 3.23Å; T42-W44 VanDerWaalsContact C-N 3.27Å; T42-W44 PolarHBondContact O-N 3.45Å; W44-P47 HydrophobicContact CE3-CG 4.46Å; W44-S48 WeakPolarHBondContact O-CB 3.47Å; W44-S48 PolarHBondContact O-N 3.46Å; W44-S48 PolarHBondContact O-OG 2.92Å; W44-F79 HydrophobicContact CB-CB 4.45Å; W44-F79 HydrophobicContact CB-CD1 3.49Å; W44-F79 VanDerWaalsContact CB-CD1 3.49Å; W44-F79 HydrophobicContact CB-CD2 3.99Å; W44-F79 HydrophobicContact CB-CE1 3.57Å; W44-F79 HydrophobicContact CB-CE2 4.05Å; W44-F79 HydrophobicContact CB-CG 3.72Å; W44-F79 HydrophobicContact CB-CZ 3.85Å; W44-F79 HydrophobicContact CG-CD1 4.21Å; W44-F79 AromaticContact CG-CE1 3.91Å; W44-F79 HydrophobicContact CG-CE1 3.91Å; W44-F79 HydrophobicContact CG-CZ 4.26Å; W44-L216 HydrophobicContact CZ2-CD1 4.45Å; W44-A219 HydrophobicContact CD2-CB 3.91Å; W44-A219 HydrophobicContact CG-CB 4.16Å; W44-A219 HydrophobicContact CZ2-CB 4Å
45	I	87.9	Confident	79.3	Confident	32 Å²	32	58.2 Å²	58.2	16%	0.164	31%	0.309	C	S	.	.	H	α-helix	trans	-60.6	-50.6	175.5	-63.5	177.1	0	0	0	110.4	T42 S48 L49 F79 I80 T83	T42-I45 PolarHBondContact O-N 3.19Å; I45-S48 PolarHBondContact O-N 3.24Å; I45-S48 PolarHBondContact O-OG 3.34Å; I45-L49 HydrophobicContact CG2-CD1 3.83Å; I45-L49 HydrophobicContact CG2-CG 4.38Å; I45-L49 WeakPolarHBondContact O-CG 3.35Å; I45-L49 PolarHBondContact O-N 3.23Å; I45-F79 HydrophobicContact CG1-CB 4Å; I45-I80 HydrophobicContact CD1-CG1 4.3Å; I45-I80 HydrophobicContact CG1-CG1 4.29Å; I45-I80 HydrophobicContact CG2-CG1 4.08Å; I45-T83 HydrophobicContact CD1-CG2 4.07Å
46	I	89.3	Confident	81.1	Confident	113 Å²	113	56.2 Å²	56.2	58%	0.579	30%	0.301	S	S	*	.	H	α-helix	trans	-61.8	-52.2	-176.6	-63.4	170.1	0	0	0	111.2	S48 L49 L50	I46-S48 VanDerWaalsContact C-N 3.28Å; I46-S48 PolarHBondContact O-N 3.37Å; I46-L49 PolarHBondContact O-N 2.89Å; I46-L50 HydrophobicContact CG2-CD1 3.83Å; I46-L50 HydrophobicContact CG2-CG 4.26Å; I46-L50 WeakPolarHBondContact O-CB 3.48Å; I46-L50 WeakPolarHBondContact O-CG 3.37Å; I46-L50 PolarHBondContact O-N 3.42Å
47	P	91.8	Very high	82.9	Confident	62 Å²	62	61.7 Å²	61.7	40%	0.403	32%	0.318	S	S	.	.	H	α-helix	trans	-55.1	-39.1	173.2	-26.7	34.5	0	0	0	113.7	M43 W44 G51	M43-P47 WeakPolarHBondContact O-CD 3.34Å; M43-P47 WeakPolarHBondContact O-CG 3.01Å; W44-P47 HydrophobicContact CE3-CG 4.46Å; P47-G51 PolarHBondContact O-N 2.98Å
48	S	92.9	Very high	84.7	Confident	4 Å²	4	63 Å²	63	3%	0.028	33%	0.325	C	S	.	.	H	α-helix	trans	-64.5	-42.4	179.2	76	0	0	0	0	112.7	W44 I45 I46 G51 S52 S76	W44-S48 WeakPolarHBondContact O-CB 3.47Å; W44-S48 PolarHBondContact O-N 3.46Å; W44-S48 PolarHBondContact O-OG 2.92Å; I45-S48 PolarHBondContact O-N 3.24Å; I45-S48 PolarHBondContact O-OG 3.34Å; I46-S48 VanDerWaalsContact C-N 3.28Å; I46-S48 PolarHBondContact O-N 3.37Å; S48-G51 PolarHBondContact O-N 2.89Å; S48-S52 WeakPolarHBondContact O-CB 3.33Å; S48-S52 PolarHBondContact O-N 3.22Å; S48-S76 WeakPolarHBondContact OG-CA 3.38Å; S48-S76 PolarHBondContact OG-OG 3.12Å
49	L	93.8	Very high	86.3	Confident	81 Å²	81	61.6 Å²	61.6	42%	0.424	32%	0.321	S	S	.	.	H	α-helix	trans	-70.9	-40.9	179.5	-69.3	172	0	0	0	111.4	I45 I46 S52 S53 S76	I45-L49 HydrophobicContact CG2-CD1 3.83Å; I45-L49 HydrophobicContact CG2-CG 4.38Å; I45-L49 WeakPolarHBondContact O-CG 3.35Å; I45-L49 PolarHBondContact O-N 3.23Å; I46-L49 PolarHBondContact O-N 2.89Å; L49-S52 PolarHBondContact O-N 3.49Å; L49-S53 WeakPolarHBondContact O-CB 3.11Å; L49-S53 PolarHBondContact O-N 3.43Å; L49-S53 PolarHBondContact O-OG 2.88Å; L49-S76 WeakPolarHBondContact CD2-OG 3.43Å
50	L	94.5	Very high	87.9	Confident	114 Å²	114	65.7 Å²	65.7	60%	0.597	34%	0.337	S	S	*	.	H	α-helix	trans	-63.2	-44.3	174.4	-70.6	176.9	0	0	0	111	I46 S53 L54	I46-L50 HydrophobicContact CG2-CD1 3.83Å; I46-L50 HydrophobicContact CG2-CG 4.26Å; I46-L50 WeakPolarHBondContact O-CB 3.48Å; I46-L50 WeakPolarHBondContact O-CG 3.37Å; I46-L50 PolarHBondContact O-N 3.42Å; L50-S53 PolarHBondContact O-N 3.23Å; L50-L54 WeakPolarHBondContact O-CB 3.2Å; L50-L54 PolarHBondContact O-N 2.74Å
51	G	93	Very high	89.3	Confident	7 Å²	7	67 Å²	67	7%	0.072	34%	0.342	C	S	.	.	H	α-helix	trans	-62.4	-45.1	176	0	0	0	0	0	112.4	P47 S48 S53 L54 L55 Y226	P47-G51 PolarHBondContact O-N 2.98Å; S48-G51 PolarHBondContact O-N 2.89Å; G51-S53 VanDerWaalsContact C-N 3.29Å; G51-S53 PolarHBondContact O-N 2.82Å; G51-L54 PolarHBondContact O-N 2.71Å; G51-L55 PolarHBondContact O-N 3.26Å; G51-Y226 VanDerWaalsContact C-CE2 3.48Å; G51-Y226 VanDerWaalsContact CA-CE2 3.41Å; G51-Y226 VanDerWaalsContact CA-CZ 3.43Å; G51-Y226 WeakPolarHBondContact CA-OH 3.12Å; G51-Y226 WeakPolarHBondContact O-CE2 3.29Å; G51-Y226 PolarHBondContact O-OH 3.39Å
52	S	93.4	Very high	90.8	Very high	27 Å²	27	74.4 Å²	74.4	19%	0.189	38%	0.377	C	S	.	.	H	α-helix	trans	-57.7	-42.6	173.4	-178	0	0	0	0	112	S48 L49 H56 G72	S48-S52 WeakPolarHBondContact O-CB 3.33Å; S48-S52 PolarHBondContact O-N 3.22Å; L49-S52 PolarHBondContact O-N 3.49Å; S52-H56 WeakPolarHBondContact O-CB 3.37Å; S52-H56 PolarHBondContact O-N 3.48Å; S52-H56 VanDerWaalsContact O-N 3.15Å; S52-G72 WeakPolarHBondContact OG-CA 3.26Å
53	S	94.7	Very high	91.8	Very high	75 Å²	75	78 Å²	78	52%	0.524	38%	0.384	S	S	.	.	H	α-helix	trans	-68.5	-37.3	179.9	-56.4	0	0	0	0	111.7	L49 L50 G51 H56 Y57	L49-S53 WeakPolarHBondContact O-CB 3.11Å; L49-S53 PolarHBondContact O-N 3.43Å; L49-S53 PolarHBondContact O-OG 2.88Å; L50-S53 PolarHBondContact O-N 3.23Å; G51-S53 VanDerWaalsContact C-N 3.29Å; G51-S53 PolarHBondContact O-N 2.82Å; S53-H56 PolarHBondContact O-N 3.35Å; S53-Y57 WeakPolarHBondContact O-CB 3.24Å; S53-Y57 PolarHBondContact O-N 2.81Å
54	L	95.3	Very high	92.3	Very high	64 Å²	64	73.8 Å²	73.8	34%	0.335	36%	0.363	S	S	.	.	H	α-helix	trans	-65	-49.8	176.9	179.9	61	0	0	0	111.4	L50 G51 H56 Y57 E58	L50-L54 WeakPolarHBondContact O-CB 3.2Å; L50-L54 PolarHBondContact O-N 2.74Å; G51-L54 PolarHBondContact O-N 2.71Å; L54-H56 PolarHBondContact O-N 3.47Å; L54-Y57 PolarHBondContact O-N 3.18Å; L54-E58 HydrophobicContact CD1-CG 4.09Å; L54-E58 HydrophobicContact CG-CG 4.47Å; L54-E58 WeakPolarHBondContact O-CG 3.25Å; L54-E58 PolarHBondContact O-N 3.46Å
55	L	94.4	Very high	92.8	Very high	0 Å²	0	77 Å²	77	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-58.9	-35.4	176	-67.8	177.5	0	0	0	112.2	G51 S59 A68 Y71 Y226 I229 W230 Y234	G51-L55 PolarHBondContact O-N 3.26Å; L55-S59 PolarHBondContact O-N 2.98Å; L55-A68 HydrophobicContact CB-CB 3.76Å; L55-Y71 HydrophobicContact CD1-CD1 3.62Å; L55-Y71 HydrophobicContact CD1-CE1 4.08Å; L55-Y226 HydrophobicContact CD1-CD2 4.27Å; L55-Y226 HydrophobicContact CD1-CE2 3.67Å; L55-Y226 HydrophobicContact CG-CE2 3.87Å; L55-I229 HydrophobicContact CD1-CG2 4.28Å; L55-I229 HydrophobicContact CD2-CG2 4.26Å; L55-W230 HydrophobicContact CD2-CB 3.96Å; L55-Y234 HydrophobicContact CB-CE1 4.3Å; L55-Y234 HydrophobicContact CD2-CD1 4.22Å; L55-Y234 HydrophobicContact CD2-CD2 3.66Å; L55-Y234 HydrophobicContact CD2-CE1 4.42Å; L55-Y234 HydrophobicContact CD2-CE2 3.92Å; L55-Y234 HydrophobicContact CD2-CG 3.84Å; L55-Y234 VanDerWaalsContact O-CE1 3.31Å; L55-Y234 WeakPolarHBondContact O-CE1 3.24Å
56	H	93.8	Very high	93.1	Very high	59 Å²	59	79.5 Å²	79.5	27%	0.273	39%	0.388	S	S	.	.	H	α-helix	trans	-69.4	-35.5	175.8	-174.5	57.3	0	0	0	113.2	S52 S53 L54 S59 R65 W69	S52-H56 WeakPolarHBondContact O-CB 3.37Å; S52-H56 PolarHBondContact O-N 3.48Å; S52-H56 VanDerWaalsContact O-N 3.15Å; S53-H56 PolarHBondContact O-N 3.35Å; L54-H56 PolarHBondContact O-N 3.47Å; H56-S59 PolarHBondContact O-OG 3.46Å; H56-R65 PolarHBondContact CE1-NE 2.84Å; H56-R65 VanDerWaalsContact CE1-NE 3.34Å; H56-W69 AromaticContact CE1-NE1 3.22Å; H56-W69 PolarHBondContact CE1-NE1 2.76Å; H56-W69 AromaticContact ND1-CD1 3.81Å; H56-W69 AromaticContact ND1-NE1 3.27Å; H56-W69 PolarHBondContact ND1-NE1 3.48Å
57	Y	94.1	Very high	93.5	Very high	193 Å²	193	74.1 Å²	74.1	76%	0.757	36%	0.36	S	S	*	.	H	α-helix	trans	-71.7	-38.5	178.2	-179.5	-99.3	0	0	0	112	S53 L54 S59	S53-Y57 WeakPolarHBondContact O-CB 3.24Å; S53-Y57 PolarHBondContact O-N 2.81Å; L54-Y57 PolarHBondContact O-N 3.18Å; Y57-S59 VanDerWaalsContact C-N 3.29Å; Y57-S59 PolarHBondContact O-N 3.21Å
58	E	92.4	Very high	93.7	Very high	76 Å²	76	71.1 Å²	71.1	36%	0.355	34%	0.341	S	S	.	.	S	Bend	trans	-78.5	-8.1	179	-61.4	-68.9	167.9	0	0	113.3	L54 E60 Y234	L54-E58 HydrophobicContact CD1-CG 4.09Å; L54-E58 HydrophobicContact CG-CG 4.47Å; L54-E58 WeakPolarHBondContact O-CG 3.25Å; L54-E58 PolarHBondContact O-N 3.46Å; E58-E60 PolarHBondContact O-N 3.03Å; E58-Y234 HydrophobicContact CB-CD1 4.23Å
59	S	92.4	Very high	93.8	Very high	19 Å²	19	78.3 Å²	78.3	13%	0.133	37%	0.368	C	S	.	.			trans	-73.6	121.6	179.4	67.3	0	0	0	0	111.4	L55 H56 Y57	L55-S59 PolarHBondContact O-N 2.98Å; H56-S59 PolarHBondContact O-OG 3.46Å; Y57-S59 VanDerWaalsContact C-N 3.29Å; Y57-S59 PolarHBondContact O-N 3.21Å
60	E	90.5	Very high	94	Very high	156 Å²	156	76.2 Å²	76.2	73%	0.729	36%	0.358	S	S	*	.			trans	-94.4	-33.9	176.1	-62.3	-166.9	161.6	0	0	111.6	E58 E64	E58-E60 PolarHBondContact O-N 3.03Å; E60-E64 PolarHBondContact N-OE2 3.37Å
61	D	90.9	Very high	94.2	Very high	73 Å²	73	70.8 Å²	70.8	39%	0.39	33%	0.33	S	S	.	.	S	Bend	trans	-112.5	171.1	-177	83.4	35.2	0	0	0	114.9	W63 E64 R65	D61-W63 PolarHBondContact O-N 2.96Å; D61-W63 WeakPolarHBondContact OD1-CA 3.26Å; D61-W63 WeakPolarHBondContact OD1-CB 3.43Å; D61-W63 PolarHBondContact OD1-N 2.94Å; D61-E64 PolarHBondContact N-OE2 3.37Å; D61-E64 PolarHBondContact OD1-N 3.42Å; D61-R65 VanDerWaalsContact O-CB 3.29Å; D61-R65 WeakPolarHBondContact O-CB 3.34Å; D61-R65 PolarHBondContact O-N 2.93Å
62	Q	93.4	Very high	94.3	Very high	161 Å²	161	70.4 Å²	70.4	75%	0.752	33%	0.326	S	S	*	.	H	α-helix	trans	-66.4	-34.4	-178.7	-177.3	178.3	-14.9	0	0	113	L66	Q62-L66 WeakPolarHBondContact O-CB 3.48Å; Q62-L66 PolarHBondContact O-N 3.38Å
63	W	91.8	Very high	94.4	Very high	136 Å²	136	71.6 Å²	71.6	52%	0.515	34%	0.338	S	S	.	.	H	α-helix	trans	-75.3	-39.3	-178.3	-69.7	108.3	0	0	0	111.7	D61 L66 S67 L124	D61-W63 PolarHBondContact O-N 2.96Å; D61-W63 WeakPolarHBondContact OD1-CA 3.26Å; D61-W63 WeakPolarHBondContact OD1-CB 3.43Å; D61-W63 PolarHBondContact OD1-N 2.94Å; W63-L66 HydrophobicContact CE3-CD2 4.3Å; W63-L66 HydrophobicContact CZ3-CD2 4.29Å; W63-L66 PolarHBondContact O-N 2.86Å; W63-S67 VanDerWaalsContact O-CB 3.25Å; W63-S67 WeakPolarHBondContact O-CB 3.45Å; W63-S67 PolarHBondContact O-N 2.9Å; W63-S67 PolarHBondContact O-OG 2.9Å; W63-L124 HydrophobicContact CB-CD2 3.88Å
64	E	93.6	Very high	94.5	Very high	33 Å²	33	68.4 Å²	68.4	15%	0.154	32%	0.317	C	S	.	.	H	α-helix	trans	-60.9	-50	170.6	-71.8	178.6	164.3	0	0	109.2	E60 D61 L66 S67 A68 L124 Y234	E60-E64 PolarHBondContact N-OE2 3.37Å; D61-E64 PolarHBondContact N-OE2 3.37Å; D61-E64 PolarHBondContact OD1-N 3.42Å; E64-L66 PolarHBondContact O-N 2.97Å; E64-S67 PolarHBondContact O-N 2.86Å; E64-S67 VanDerWaalsContact O-N 3.14Å; E64-A68 WeakPolarHBondContact O-CB 3.33Å; E64-A68 PolarHBondContact O-N 3.24Å; E64-L124 HydrophobicContact CB-CD2 4.35Å; E64-L124 HydrophobicContact CG-CD1 4.1Å; E64-L124 HydrophobicContact CG-CD2 3.73Å; E64-Y234 HydrophobicContact CB-CE1 3.96Å; E64-Y234 PolarHBondContact O-OH 3.08Å
65	R	94.7	Very high	94.6	Very high	132 Å²	132	65.8 Å²	65.8	50%	0.498	30%	0.303	S	S	.	.	H	α-helix	trans	-58.6	-49.3	178.2	-166.6	164.6	173.4	141.5	10.5	111.1	H56 D61 S67 A68 W69	H56-R65 PolarHBondContact CE1-NE 2.84Å; H56-R65 VanDerWaalsContact CE1-NE 3.34Å; D61-R65 VanDerWaalsContact O-CB 3.29Å; D61-R65 WeakPolarHBondContact O-CB 3.34Å; D61-R65 PolarHBondContact O-N 2.93Å; R65-S67 VanDerWaalsContact C-N 3.31Å; R65-S67 PolarHBondContact O-N 3.29Å; R65-A68 PolarHBondContact O-N 3.31Å; R65-W69 PolarHBondContact O-N 3.01Å
66	L	95.6	Very high	94.6	Very high	84 Å²	84	66.1 Å²	66.1	44%	0.44	31%	0.305	S	S	.	.	H	α-helix	trans	-58.2	-44.1	177	179.9	63.7	0	0	0	111.8	Q62 W63 E64 W69 V70	Q62-L66 WeakPolarHBondContact O-CB 3.48Å; Q62-L66 PolarHBondContact O-N 3.38Å; W63-L66 HydrophobicContact CE3-CD2 4.3Å; W63-L66 HydrophobicContact CZ3-CD2 4.29Å; W63-L66 PolarHBondContact O-N 2.86Å; E64-L66 PolarHBondContact O-N 2.97Å; L66-W69 PolarHBondContact O-N 3.01Å; L66-V70 HydrophobicContact CD1-CG2 4.28Å; L66-V70 WeakPolarHBondContact O-CB 3.45Å; L66-V70 VanDerWaalsContact O-CG2 3.31Å; L66-V70 WeakPolarHBondContact O-CG2 3.41Å; L66-V70 PolarHBondContact O-N 3.17Å
67	S	96	Very high	94.6	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-66.4	-39.3	-180	-60.7	0	0	0	0	112	W63 E64 R65 V70 Y71 N123	W63-S67 VanDerWaalsContact O-CB 3.25Å; W63-S67 WeakPolarHBondContact O-CB 3.45Å; W63-S67 PolarHBondContact O-N 2.9Å; W63-S67 PolarHBondContact O-OG 2.9Å; E64-S67 PolarHBondContact O-N 2.86Å; E64-S67 VanDerWaalsContact O-N 3.14Å; R65-S67 VanDerWaalsContact C-N 3.31Å; R65-S67 PolarHBondContact O-N 3.29Å; S67-V70 PolarHBondContact O-N 3.4Å; S67-Y71 VanDerWaalsContact O-CB 3.24Å; S67-Y71 WeakPolarHBondContact O-CB 3.39Å; S67-Y71 PolarHBondContact O-N 3.41Å; S67-N123 WeakPolarHBondContact OG-CB 3.5Å; S67-N123 PolarHBondContact OG-ND2 2.91Å; S67-N123 VanDerWaalsContact OG-ND2 3.14Å
68	A	95.9	Very high	94.5	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-62.8	-44.8	174.5	0	0	0	0	0	111.4	L55 E64 R65 G72 Y234	L55-A68 HydrophobicContact CB-CB 3.76Å; E64-A68 WeakPolarHBondContact O-CB 3.33Å; E64-A68 PolarHBondContact O-N 3.24Å; R65-A68 PolarHBondContact O-N 3.31Å; A68-G72 WeakPolarHBondContact O-CA 3.44Å; A68-G72 PolarHBondContact O-N 2.9Å; A68-Y234 WeakPolarHBondContact CA-OH 3.3Å; A68-Y234 HydrophobicContact CB-CE1 4.15Å; A68-Y234 WeakPolarHBondContact CB-OH 3.11Å; A68-Y234 PolarHBondContact N-OH 2.91Å
69	W	96.6	Very high	94.4	Very high	155 Å²	155	54 Å²	54	59%	0.587	26%	0.261	S	S	*	.	H	α-helix	trans	-62.5	-48.4	176.5	-86.4	92.7	0	0	0	112	H56 R65 L66 A73	H56-W69 AromaticContact CE1-NE1 3.22Å; H56-W69 PolarHBondContact CE1-NE1 2.76Å; H56-W69 AromaticContact ND1-CD1 3.81Å; H56-W69 AromaticContact ND1-NE1 3.27Å; H56-W69 PolarHBondContact ND1-NE1 3.48Å; R65-W69 PolarHBondContact O-N 3.01Å; L66-W69 PolarHBondContact O-N 3.01Å; W69-A73 WeakPolarHBondContact O-CB 3.18Å; W69-A73 PolarHBondContact O-N 2.85Å
70	V	97.4	Very high	94.4	Very high	36 Å²	36	56 Å²	56	22%	0.218	27%	0.269	C	S	.	.	H	α-helix	trans	-63.3	-52	-179.5	167.1	0	0	0	0	111	L66 S67 G74 A116 A119 W139	L66-V70 HydrophobicContact CD1-CG2 4.28Å; L66-V70 WeakPolarHBondContact O-CB 3.45Å; L66-V70 VanDerWaalsContact O-CG2 3.31Å; L66-V70 WeakPolarHBondContact O-CG2 3.41Å; L66-V70 PolarHBondContact O-N 3.17Å; S67-V70 PolarHBondContact O-N 3.4Å; V70-G74 PolarHBondContact O-N 3.42Å; V70-A116 HydrophobicContact CG1-CB 3.95Å; V70-A119 HydrophobicContact CG1-CB 3.73Å; V70-W139 HydrophobicContact CG1-CH2 3.89Å; V70-W139 HydrophobicContact CG1-CZ2 3.69Å
71	Y	97.6	Very high	94.3	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-65.9	-45.9	-178.6	179	-117.3	0	0	0	111.9	L55 S67 G74 L75 F113 P120 A222 Y226 I229	L55-Y71 HydrophobicContact CD1-CD1 3.62Å; L55-Y71 HydrophobicContact CD1-CE1 4.08Å; S67-Y71 VanDerWaalsContact O-CB 3.24Å; S67-Y71 WeakPolarHBondContact O-CB 3.39Å; S67-Y71 PolarHBondContact O-N 3.41Å; Y71-G74 PolarHBondContact O-N 3.21Å; Y71-L75 HydrophobicContact CE1-CD2 4.4Å; Y71-L75 WeakPolarHBondContact O-CB 3.4Å; Y71-L75 PolarHBondContact O-N 3.29Å; Y71-F113 HydrophobicContact CE2-CE2 4.12Å; Y71-P120 HydrophobicContact CG-CG 4.14Å; Y71-A222 PolarHBondContact OH-O 3.28Å; Y71-Y226 AromaticContact CE1-CD2 3.68Å; Y71-Y226 HydrophobicContact CE1-CD2 3.68Å; Y71-Y226 HydrophobicContact CE1-CE2 4.47Å; Y71-Y226 HydrophobicContact CE1-CG 4.4Å; Y71-Y226 VanDerWaalsContact OH-CA 3.27Å; Y71-Y226 WeakPolarHBondContact OH-CA 3.36Å; Y71-Y226 WeakPolarHBondContact OH-CB 3.46Å; Y71-Y226 PolarHBondContact OH-N 3.43Å; Y71-I229 HydrophobicContact CD1-CD1 3.96Å; Y71-I229 HydrophobicContact CD2-CD1 4.02Å; Y71-I229 HydrophobicContact CE1-CD1 3.62Å; Y71-I229 HydrophobicContact CE2-CD1 3.73Å; Y71-I229 HydrophobicContact CG-CD1 4.14Å
72	G	96.2	Very high	94.1	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-60.8	-45.9	178.1	0	0	0	0	0	112.8	S52 A68 G74 L75 S76	S52-G72 WeakPolarHBondContact OG-CA 3.26Å; A68-G72 WeakPolarHBondContact O-CA 3.44Å; A68-G72 PolarHBondContact O-N 2.9Å; G72-G74 VanDerWaalsContact C-N 3.35Å; G72-G74 PolarHBondContact O-N 2.9Å; G72-L75 PolarHBondContact O-N 3.47Å; G72-S76 WeakPolarHBondContact O-CB 3.2Å; G72-S76 PolarHBondContact O-N 3.22Å; G72-S76 PolarHBondContact O-OG 3.48Å
73	A	96.3	Very high	93.7	Very high	52 Å²	52	40 Å²	40	43%	0.43	20%	0.195	S	C	.	.	H	α-helix	trans	-61.6	-42.3	175	0	0	0	0	0	111.9	W69 S77	W69-A73 WeakPolarHBondContact O-CB 3.18Å; W69-A73 PolarHBondContact O-N 2.85Å; A73-S77 WeakPolarHBondContact O-CB 3.33Å; A73-S77 PolarHBondContact O-N 3.39Å; A73-S77 PolarHBondContact O-OG 3.48Å
74	G	96.7	Very high	93.4	Very high	8 Å²	8	37.2 Å²	37.2	8%	0.082	19%	0.19	C	C	.	.	H	α-helix	trans	-61.4	-49.8	175.4	0	0	0	0	0	112.4	V70 Y71 G72 S77 L78	V70-G74 PolarHBondContact O-N 3.42Å; Y71-G74 PolarHBondContact O-N 3.21Å; G72-G74 VanDerWaalsContact C-N 3.35Å; G72-G74 PolarHBondContact O-N 2.9Å; G74-S77 PolarHBondContact O-N 2.91Å; G74-L78 PolarHBondContact O-N 2.74Å
75	L	95.6	Very high	92.9	Very high	8 Å²	8	36.7 Å²	36.7	4%	0.042	19%	0.187	C	C	.	.	H	α-helix	trans	-63.2	-46.1	-178.7	-175.3	67.7	0	0	0	111.8	Y71 G72 L78 F79 F113 A222 Y226	Y71-L75 HydrophobicContact CE1-CD2 4.4Å; Y71-L75 WeakPolarHBondContact O-CB 3.4Å; Y71-L75 PolarHBondContact O-N 3.29Å; G72-L75 PolarHBondContact O-N 3.47Å; L75-L78 WeakPolarHBondContact O-CB 3.33Å; L75-L78 PolarHBondContact O-N 2.98Å; L75-F79 HydrophobicContact CD1-CE2 3.8Å; L75-F79 HydrophobicContact CG-CE2 4.28Å; L75-F79 VanDerWaalsContact O-CD2 3.25Å; L75-F79 WeakPolarHBondContact O-CD2 3.46Å; L75-F113 HydrophobicContact CB-CE2 3.97Å; L75-F113 HydrophobicContact CD1-CE2 3.6Å; L75-F113 HydrophobicContact CD1-CZ 3.84Å; L75-F113 HydrophobicContact CG-CE2 4.41Å; L75-A222 HydrophobicContact CD1-CB 3.87Å; L75-Y226 HydrophobicContact CD2-CD2 3.97Å
76	S	94.6	Very high	92	Very high	8 Å²	8	31.6 Å²	31.6	6%	0.056	17%	0.169	C	C	.	.	H	α-helix	trans	-68.3	-40.4	177.6	-66.1	0	0	0	0	112.2	S48 L49 G72 L78 F79 I80	S48-S76 WeakPolarHBondContact OG-CA 3.38Å; S48-S76 PolarHBondContact OG-OG 3.12Å; L49-S76 WeakPolarHBondContact CD2-OG 3.43Å; G72-S76 WeakPolarHBondContact O-CB 3.2Å; G72-S76 PolarHBondContact O-N 3.22Å; G72-S76 PolarHBondContact O-OG 3.48Å; S76-L78 VanDerWaalsContact C-N 3.29Å; S76-L78 PolarHBondContact O-N 3.25Å; S76-F79 PolarHBondContact O-N 3.18Å; S76-I80 WeakPolarHBondContact O-CB 3.26Å; S76-I80 WeakPolarHBondContact O-CD1 3.29Å; S76-I80 WeakPolarHBondContact O-CG1 3.39Å; S76-I80 PolarHBondContact O-N 2.74Å
77	S	94.1	Very high	91.1	Very high	47 Å²	47	29.3 Å²	29.3	33%	0.329	16%	0.158	S	C	.	.	H	α-helix	trans	-61.8	-38.3	177.6	-61.8	0	0	0	0	111.8	A73 G74 F79 I80 I81	A73-S77 WeakPolarHBondContact O-CB 3.33Å; A73-S77 PolarHBondContact O-N 3.39Å; A73-S77 PolarHBondContact O-OG 3.48Å; G74-S77 PolarHBondContact O-N 2.91Å; S77-F79 PolarHBondContact O-N 3.38Å; S77-I80 PolarHBondContact O-N 3.5Å; S77-I81 VanDerWaalsContact O-CB 3.27Å; S77-I81 WeakPolarHBondContact O-CB 3.49Å; S77-I81 VanDerWaalsContact O-CG1 3.3Å; S77-I81 WeakPolarHBondContact O-CG1 3.35Å; S77-I81 PolarHBondContact O-N 2.91Å
78	L	93	Very high	90.2	Very high	14 Å²	14	30.3 Å²	30.3	7%	0.073	16%	0.164	C	C	.	.	H	α-helix	trans	-53.5	-51.4	177.3	-176.8	71	0	0	0	111.4	G74 L75 S76 S82 V109 I110 F113 V218	G74-L78 PolarHBondContact O-N 2.74Å; L75-L78 WeakPolarHBondContact O-CB 3.33Å; L75-L78 PolarHBondContact O-N 2.98Å; S76-L78 VanDerWaalsContact C-N 3.29Å; S76-L78 PolarHBondContact O-N 3.25Å; L78-S82 VanDerWaalsContact O-CB 3.27Å; L78-S82 WeakPolarHBondContact O-CB 3.28Å; L78-S82 PolarHBondContact O-N 3.31Å; L78-V109 HydrophobicContact CD1-CG1 4.21Å; L78-I110 HydrophobicContact CD1-CG1 4.24Å; L78-F113 HydrophobicContact CB-CG 4.41Å; L78-F113 HydrophobicContact CD1-CB 4.36Å; L78-F113 HydrophobicContact CD1-CD1 4.38Å; L78-F113 HydrophobicContact CD1-CG 4.44Å; L78-F113 HydrophobicContact CD2-CD1 3.71Å; L78-F113 HydrophobicContact CD2-CD2 4.37Å; L78-F113 HydrophobicContact CD2-CE1 3.78Å; L78-F113 HydrophobicContact CD2-CE2 4.44Å; L78-F113 HydrophobicContact CD2-CG 4.01Å; L78-F113 HydrophobicContact CD2-CZ 4.16Å; L78-V218 HydrophobicContact CD2-CG1 4.13Å
79	F	90.6	Very high	89.1	Confident	11 Å²	11	31.7 Å²	31.7	5%	0.048	18%	0.176	C	C	.	.	H	α-helix	trans	-79	-35.3	-177.7	-62.7	-64.6	0	0	0	113.3	W44 I45 L75 S76 S77 T83 A219	W44-F79 HydrophobicContact CB-CB 4.45Å; W44-F79 HydrophobicContact CB-CD1 3.49Å; W44-F79 VanDerWaalsContact CB-CD1 3.49Å; W44-F79 HydrophobicContact CB-CD2 3.99Å; W44-F79 HydrophobicContact CB-CE1 3.57Å; W44-F79 HydrophobicContact CB-CE2 4.05Å; W44-F79 HydrophobicContact CB-CG 3.72Å; W44-F79 HydrophobicContact CB-CZ 3.85Å; W44-F79 HydrophobicContact CG-CD1 4.21Å; W44-F79 AromaticContact CG-CE1 3.91Å; W44-F79 HydrophobicContact CG-CE1 3.91Å; W44-F79 HydrophobicContact CG-CZ 4.26Å; I45-F79 HydrophobicContact CG1-CB 4Å; L75-F79 HydrophobicContact CD1-CE2 3.8Å; L75-F79 HydrophobicContact CG-CE2 4.28Å; L75-F79 VanDerWaalsContact O-CD2 3.25Å; L75-F79 WeakPolarHBondContact O-CD2 3.46Å; S76-F79 PolarHBondContact O-N 3.18Å; S77-F79 PolarHBondContact O-N 3.38Å; F79-T83 VanDerWaalsContact O-CB 3.3Å; F79-T83 WeakPolarHBondContact O-CB 3.28Å; F79-T83 PolarHBondContact O-N 3.48Å; F79-T83 PolarHBondContact O-OG1 3.43Å; F79-A219 HydrophobicContact CE1-CB 4.09Å; F79-A219 HydrophobicContact CZ-CB 4.18Å
80	I	90.8	Very high	87.6	Confident	61 Å²	61	28 Å²	28	31%	0.313	16%	0.162	S	C	.	.	H	α-helix	trans	-65.5	-50.3	178.4	-69.7	167.1	0	0	0	110.3	I45 S76 S77 T83 L84	I45-I80 HydrophobicContact CD1-CG1 4.3Å; I45-I80 HydrophobicContact CG1-CG1 4.29Å; I45-I80 HydrophobicContact CG2-CG1 4.08Å; S76-I80 WeakPolarHBondContact O-CB 3.26Å; S76-I80 WeakPolarHBondContact O-CD1 3.29Å; S76-I80 WeakPolarHBondContact O-CG1 3.39Å; S76-I80 PolarHBondContact O-N 2.74Å; S77-I80 PolarHBondContact O-N 3.5Å; I80-T83 PolarHBondContact O-N 3.48Å; I80-L84 HydrophobicContact CG2-CD1 3.89Å; I80-L84 HydrophobicContact CG2-CG 4.36Å; I80-L84 WeakPolarHBondContact O-CB 3.24Å; I80-L84 VanDerWaalsContact O-CG 3.29Å; I80-L84 WeakPolarHBondContact O-CG 3.25Å; I80-L84 PolarHBondContact O-N 3.15Å
81	I	89.9	Confident	86.1	Confident	39 Å²	39	34.2 Å²	34.2	20%	0.2	19%	0.186	C	C	.	.	H	α-helix	trans	-65.6	-42.9	-177.1	-66.4	174.4	0	0	0	110.5	S77 T83 L84 F85 C105 D106 V109	S77-I81 VanDerWaalsContact O-CB 3.27Å; S77-I81 WeakPolarHBondContact O-CB 3.49Å; S77-I81 VanDerWaalsContact O-CG1 3.3Å; S77-I81 WeakPolarHBondContact O-CG1 3.35Å; S77-I81 PolarHBondContact O-N 2.91Å; I81-T83 PolarHBondContact O-N 3.27Å; I81-L84 PolarHBondContact O-N 2.85Å; I81-F85 WeakPolarHBondContact O-CB 3.44Å; I81-F85 PolarHBondContact O-N 3.49Å; I81-C105 HydrophobicContact CG2-CB 3.72Å; I81-D106 HydrophobicContact CG2-CB 4.24Å; I81-V109 HydrophobicContact CB-CG1 4.27Å; I81-V109 HydrophobicContact CD1-CB 3.89Å; I81-V109 HydrophobicContact CD1-CG1 4.4Å; I81-V109 HydrophobicContact CD1-CG2 3.93Å; I81-V109 HydrophobicContact CG2-CG1 4.3Å
82	S	86.4	Confident	84.4	Confident	4 Å²	4	40.2 Å²	40.2	3%	0.028	21%	0.212	C	C	.	.	H	α-helix	trans	-59.1	-44	174.1	174.2	0	0	0	0	112.5	H41 L78 L84 F85 H86 D106	H41-S82 PolarHBondContact CD2-OG 3.5Å; H41-S82 VanDerWaalsContact CD2-OG 3.22Å; H41-S82 PolarHBondContact CE1-OG 3.47Å; H41-S82 VanDerWaalsContact CE1-OG 3.24Å; H41-S82 PolarHBondContact NE2-OG 2.96Å; L78-S82 VanDerWaalsContact O-CB 3.27Å; L78-S82 WeakPolarHBondContact O-CB 3.28Å; L78-S82 PolarHBondContact O-N 3.31Å; S82-L84 PolarHBondContact O-N 3.27Å; S82-F85 PolarHBondContact O-N 3.32Å; S82-H86 PolarHBondContact O-CD2 2.9Å; S82-H86 VanDerWaalsContact O-CD2 3.25Å; S82-H86 PolarHBondContact O-N 2.93Å; S82-D106 WeakPolarHBondContact CA-OD1 3.04Å; S82-D106 VanDerWaalsContact CB-OD1 3.22Å; S82-D106 WeakPolarHBondContact CB-OD1 3.49Å; S82-D106 PolarHBondContact N-OD1 2.89Å
83	T	85.1	Confident	82.7	Confident	13 Å²	13	42.3 Å²	42.3	8%	0.08	23%	0.227	C	C	.	.	H	α-helix	trans	-63.7	-43.3	176.2	-58.4	0	0	0	0	111.8	H41 I45 F79 I80 I81 H86 T87	H41-T83 VanDerWaalsContact CB-OG1 3.3Å; H41-T83 WeakPolarHBondContact CB-OG1 3.49Å; I45-T83 HydrophobicContact CD1-CG2 4.07Å; F79-T83 VanDerWaalsContact O-CB 3.3Å; F79-T83 WeakPolarHBondContact O-CB 3.28Å; F79-T83 PolarHBondContact O-N 3.48Å; F79-T83 PolarHBondContact O-OG1 3.43Å; I80-T83 PolarHBondContact O-N 3.48Å; I81-T83 PolarHBondContact O-N 3.27Å; T83-H86 PolarHBondContact O-N 3.5Å; T83-T87 VanDerWaalsContact O-CB 3.29Å; T83-T87 WeakPolarHBondContact O-CB 3.31Å; T83-T87 PolarHBondContact O-N 3.38Å; T83-T87 PolarHBondContact O-OG1 2.84Å
84	L	84.7	Confident	81.3	Confident	77 Å²	77	48.6 Å²	48.6	40%	0.403	25%	0.247	S	C	.	.	H	α-helix	trans	-61.9	-45.2	177.3	-73.3	173.1	0	0	0	111	I80 I81 S82 T87 V88 F102	I80-L84 HydrophobicContact CG2-CD1 3.89Å; I80-L84 HydrophobicContact CG2-CG 4.36Å; I80-L84 WeakPolarHBondContact O-CB 3.24Å; I80-L84 VanDerWaalsContact O-CG 3.29Å; I80-L84 WeakPolarHBondContact O-CG 3.25Å; I80-L84 PolarHBondContact O-N 3.15Å; I81-L84 PolarHBondContact O-N 2.85Å; S82-L84 PolarHBondContact O-N 3.27Å; L84-T87 PolarHBondContact O-N 3.3Å; L84-V88 WeakPolarHBondContact O-CB 3.42Å; L84-V88 VanDerWaalsContact O-CG2 3.25Å; L84-V88 WeakPolarHBondContact O-CG2 3.47Å; L84-V88 PolarHBondContact O-N 3.45Å; L84-F102 HydrophobicContact CB-CD1 3.88Å; L84-F102 HydrophobicContact CB-CE1 3.76Å; L84-F102 HydrophobicContact CD1-CE1 4.02Å; L84-F102 HydrophobicContact CG-CE1 4.43Å
85	F	82.4	Confident	80.1	Confident	22 Å²	22	52 Å²	52	10%	0.096	26%	0.263	C	S	.	.	H	α-helix	trans	-56.1	-54.2	175.8	165.9	-117	0	0	0	111.6	I81 S82 T87 V88 A89 E99 F102 H103 D106	I81-F85 WeakPolarHBondContact O-CB 3.44Å; I81-F85 PolarHBondContact O-N 3.49Å; S82-F85 PolarHBondContact O-N 3.32Å; F85-T87 VanDerWaalsContact C-N 3.33Å; F85-T87 PolarHBondContact O-N 3.46Å; F85-V88 PolarHBondContact O-N 2.74Å; F85-A89 HydrophobicContact CE2-CB 4.38Å; F85-A89 VanDerWaalsContact O-CB 3.29Å; F85-A89 WeakPolarHBondContact O-CB 3.44Å; F85-A89 PolarHBondContact O-N 2.91Å; F85-E99 HydrophobicContact CE2-CG 4.48Å; F85-F102 HydrophobicContact CB-CB 4.06Å; F85-F102 HydrophobicContact CD2-CB 4.15Å; F85-H103 HydrophobicContact CD2-CB 3.9Å; F85-H103 AromaticContact CE1-CD2 3.86Å; F85-H103 HydrophobicContact CE2-CB 3.56Å; F85-H103 AromaticContact CE2-CD2 3.64Å; F85-H103 AromaticContact CE2-CG 3.89Å; F85-H103 HydrophobicContact CZ-CB 4.23Å; F85-H103 AromaticContact CZ-CD2 3.36Å; F85-H103 WeakPolarHBondContact CZ-CD2 3.42Å; F85-D106 HydrophobicContact CB-CB 4.35Å; F85-D106 HydrophobicContact CG-CB 4.49Å
86	H	76.6	Confident	79.2	Confident	25 Å²	25	59.7 Å²	59.7	12%	0.116	29%	0.291	C	S	.	.	H	α-helix	trans	-64.2	-36.7	-179.5	-75.2	-57.5	0	0	0	113	H41 S82 T83 W90 H211 H215	H41-H86 AromaticContact CD2-CD2 3.59Å; H41-H86 AromaticContact CD2-NE2 3.95Å; H41-H86 AromaticContact NE2-NE2 3.98Å; S82-H86 PolarHBondContact O-CD2 2.9Å; S82-H86 VanDerWaalsContact O-CD2 3.25Å; S82-H86 PolarHBondContact O-N 2.93Å; T83-H86 PolarHBondContact O-N 3.5Å; H86-W90 PolarHBondContact O-N 3.14Å; H86-H211 AromaticContact CE1-NE2 3.77Å; H86-H211 AromaticContact NE2-NE2 3.78Å; H86-H215 AromaticContact NE2-NE2 3.77Å
87	T	77.6	Confident	78.4	Confident	36 Å²	36	63.8 Å²	63.8	22%	0.221	32%	0.32	C	S	.	.	H	α-helix	trans	-66.9	-41.4	177.2	-58	0	0	0	0	111.7	T83 L84 F85 W90 K91	T83-T87 VanDerWaalsContact O-CB 3.29Å; T83-T87 WeakPolarHBondContact O-CB 3.31Å; T83-T87 PolarHBondContact O-N 3.38Å; T83-T87 PolarHBondContact O-OG1 2.84Å; L84-T87 PolarHBondContact O-N 3.3Å; F85-T87 VanDerWaalsContact C-N 3.33Å; F85-T87 PolarHBondContact O-N 3.46Å; T87-W90 PolarHBondContact O-N 3.26Å; T87-K91 HydrophobicContact CG2-CD 4.49Å; T87-K91 PolarHBondContact O-N 2.75Å
88	V	77.2	Confident	77.8	Confident	21 Å²	21	64.1 Å²	64.1	13%	0.127	32%	0.319	C	S	.	.	H	α-helix	trans	-69.4	-44.8	177.4	168.7	0	0	0	0	110.8	L84 F85 W90 K91 K92 V98 F102	L84-V88 WeakPolarHBondContact O-CB 3.42Å; L84-V88 VanDerWaalsContact O-CG2 3.25Å; L84-V88 WeakPolarHBondContact O-CG2 3.47Å; L84-V88 PolarHBondContact O-N 3.45Å; F85-V88 PolarHBondContact O-N 2.74Å; V88-W90 PolarHBondContact O-N 3.01Å; V88-K91 PolarHBondContact O-N 2.84Å; V88-K92 CarbonylContact O-C 3.55Å; V88-K92 PolarHBondContact O-N 2.8Å; V88-V98 HydrophobicContact CG1-CG1 3.99Å; V88-F102 HydrophobicContact CB-CD2 4.23Å; V88-F102 HydrophobicContact CG1-CD2 4.08Å; V88-F102 HydrophobicContact CG2-CD2 3.88Å; V88-F102 HydrophobicContact CG2-CE2 3.85Å; V88-F102 HydrophobicContact CG2-CG 4.48Å; V88-F102 HydrophobicContact CG2-CZ 4.43Å
89	A	71.7	Confident	77.2	Confident	29 Å²	29	66 Å²	66	24%	0.24	33%	0.328	C	S	.	.	H	α-helix	trans	-57.1	-35.1	175.8	0	0	0	0	0	111.6	F85 E99	F85-A89 HydrophobicContact CE2-CB 4.38Å; F85-A89 VanDerWaalsContact O-CB 3.29Å; F85-A89 WeakPolarHBondContact O-CB 3.44Å; F85-A89 PolarHBondContact O-N 2.91Å; A89-E99 HydrophobicContact CB-CG 4.42Å
90	W	65.1	Low	76.8	Confident	78 Å²	78	70.7 Å²	70.7	30%	0.295	35%	0.35	S	S	.	.	H	α-helix	trans	-70.1	-69.1	170.1	-174.7	-42	0	0	0	112	D31 L34 K35 H86 T87 V88 K92	D31-W90 HydrophobicContact CB-CH2 4.39Å; D31-W90 HydrophobicContact CB-CZ2 4.45Å; D31-W90 WeakPolarHBondContact O-CH2 3.33Å; L34-W90 HydrophobicContact CB-CD2 4.28Å; L34-W90 HydrophobicContact CB-CE3 3.55Å; L34-W90 HydrophobicContact CB-CH2 3.55Å; L34-W90 HydrophobicContact CB-CZ2 4.28Å; L34-W90 HydrophobicContact CB-CZ3 3.21Å; L34-W90 HydrophobicContact CD2-CB 4.03Å; L34-W90 HydrophobicContact CD2-CD2 3.14Å; L34-W90 HydrophobicContact CD2-CE3 3.27Å; L34-W90 HydrophobicContact CD2-CG 3.59Å; L34-W90 HydrophobicContact CD2-CH2 3.94Å; L34-W90 HydrophobicContact CD2-CZ2 3.84Å; L34-W90 HydrophobicContact CD2-CZ3 3.73Å; L34-W90 HydrophobicContact CG-CD2 3.65Å; L34-W90 HydrophobicContact CG-CE3 3.17Å; L34-W90 HydrophobicContact CG-CG 4.33Å; L34-W90 HydrophobicContact CG-CH2 4.05Å; L34-W90 HydrophobicContact CG-CZ2 4.45Å; L34-W90 HydrophobicContact CG-CZ3 3.47Å; L34-W90 VanDerWaalsContact CG-CZ3 3.47Å; L34-W90 WeakPolarHBondContact O-CZ3 3.4Å; K35-W90 HydrophobicContact CB-CH2 4.4Å; K35-W90 HydrophobicContact CB-CZ3 4.36Å; H86-W90 PolarHBondContact O-N 3.14Å; T87-W90 PolarHBondContact O-N 3.26Å; V88-W90 PolarHBondContact O-N 3.01Å; W90-K92 PolarHBondContact O-N 3.38Å
91	K	65.9	Low	76.6	Confident	166 Å²	166	70.7 Å²	70.7	72%	0.722	36%	0.355	S	S	*	.	H	α-helix	trans	-74.7	-26.1	-161	-78.6	-169	173.7	-173.8	0	113.7	T87 V88	T87-K91 HydrophobicContact CG2-CD 4.49Å; T87-K91 PolarHBondContact O-N 2.75Å; V88-K91 PolarHBondContact O-N 2.84Å
92	K	62.1	Low	76.4	Confident	125 Å²	125	71.4 Å²	71.4	54%	0.543	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.3	41.2	-169.9	-73.2	-171.8	172	-172.7	0	112	V88 W90 H94 L95	V88-K92 CarbonylContact O-C 3.55Å; V88-K92 PolarHBondContact O-N 2.8Å; W90-K92 PolarHBondContact O-N 3.38Å; K92-H94 PolarHBondContact O-N 3.23Å; K92-L95 HydrophobicContact CB-CD1 4.19Å; K92-L95 HydrophobicContact CD-CD1 3.82Å; K92-L95 HydrophobicContact CG-CD1 4.27Å; K92-L95 PolarHBondContact O-N 3.11Å
93	S	61.3	Low	76.4	Confident	45 Å²	45	73.9 Å²	73.9	32%	0.315	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-14.2	175.6	-173.3	0	0	0	0	114.9	R26	R26-S93 PolarHBondContact NH1-O 2.85Å; R26-S93 PolarHBondContact NH1-OG 3.1Å; R26-S93 PolarHBondContact NH2-O 3.21Å
94	H	65.8	Low	76.5	Confident	183 Å²	183	74.6 Å²	74.6	85%	0.847	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-23.1	173.4	-171.5	-84.9	0	0	0	113.5	K92 R96	K92-H94 PolarHBondContact O-N 3.23Å; H94-R96 PolarHBondContact O-N 3.32Å
95	L	72.1	Confident	76.7	Confident	81 Å²	81	73 Å²	73	42%	0.424	37%	0.365	S	S	.	.			trans	-97	74	-178.8	-80	144.7	0	0	0	110.7	K92 S97 V98 E99	K92-L95 HydrophobicContact CB-CD1 4.19Å; K92-L95 HydrophobicContact CD-CD1 3.82Å; K92-L95 HydrophobicContact CG-CD1 4.27Å; K92-L95 PolarHBondContact O-N 3.11Å; L95-S97 VanDerWaalsContact C-N 3.28Å; L95-S97 PolarHBondContact O-N 3.07Å; L95-V98 HydrophobicContact CB-CB 4.15Å; L95-V98 HydrophobicContact CB-CG2 4.03Å; L95-V98 HydrophobicContact CD2-CG2 4.2Å; L95-V98 PolarHBondContact O-N 2.92Å; L95-E99 PolarHBondContact O-N 3.13Å; L95-E99 VanDerWaalsContact O-N 3.15Å
96	R	75.2	Confident	77.1	Confident	169 Å²	169	72.4 Å²	72.4	64%	0.638	36%	0.363	S	S	*	.	H	α-helix	trans	-55.3	-38.9	-174.8	-163.6	174.1	-173.9	173.3	0.3	113.5	H94 V98 E99 Q100	H94-R96 PolarHBondContact O-N 3.32Å; R96-V98 VanDerWaalsContact C-N 3.33Å; R96-V98 PolarHBondContact O-N 3.46Å; R96-E99 PolarHBondContact O-N 3.3Å; R96-Q100 WeakPolarHBondContact O-CB 3.49Å; R96-Q100 VanDerWaalsContact O-CG 3.25Å; R96-Q100 WeakPolarHBondContact O-CG 3.2Å; R96-Q100 PolarHBondContact O-N 2.91Å; R96-Q100 PolarHBondContact O-OE1 3.43Å
97	S	79.6	Confident	77.8	Confident	94 Å²	94	72.1 Å²	72.1	66%	0.657	36%	0.361	S	S	*	.	H	α-helix	trans	-66.4	-34.5	179.2	-45.9	0	0	0	0	112.9	L95 C101	L95-S97 VanDerWaalsContact C-N 3.28Å; L95-S97 PolarHBondContact O-N 3.07Å; S97-C101 WeakPolarHBondContact O-CB 3.43Å; S97-C101 PolarHBondContact O-N 3.31Å; S97-C101 VanDerWaalsContact O-N 3.1Å
98	V	81.3	Confident	78.5	Confident	53 Å²	53	71.7 Å²	71.7	32%	0.321	36%	0.356	S	S	.	.	H	α-helix	trans	-74	-44.5	179.5	-177.2	0	0	0	0	109.9	V88 L95 R96 Q100 C101 F102	V88-V98 HydrophobicContact CG1-CG1 3.99Å; L95-V98 HydrophobicContact CB-CB 4.15Å; L95-V98 HydrophobicContact CB-CG2 4.03Å; L95-V98 HydrophobicContact CD2-CG2 4.2Å; L95-V98 PolarHBondContact O-N 2.92Å; R96-V98 VanDerWaalsContact C-N 3.33Å; R96-V98 PolarHBondContact O-N 3.46Å; V98-Q100 VanDerWaalsContact C-N 3.32Å; V98-Q100 PolarHBondContact O-N 3.44Å; V98-C101 WeakPolarHBondContact O-CB 3.35Å; V98-C101 PolarHBondContact O-N 2.87Å; V98-F102 HydrophobicContact CG1-CD2 3.77Å; V98-F102 HydrophobicContact CG1-CE2 3.64Å; V98-F102 VanDerWaalsContact O-CD2 3.3Å; V98-F102 WeakPolarHBondContact O-CD2 3.35Å; V98-F102 PolarHBondContact O-N 3.44Å
99	E	80.1	Confident	79.4	Confident	54 Å²	54	71 Å²	71	25%	0.252	35%	0.353	S	S	.	.	H	α-helix	trans	-56.1	-45.8	173.5	-175.2	-172	158.3	0	0	111.7	F85 A89 L95 R96 C101 F102 H103	F85-E99 HydrophobicContact CE2-CG 4.48Å; A89-E99 HydrophobicContact CB-CG 4.42Å; L95-E99 PolarHBondContact O-N 3.13Å; L95-E99 VanDerWaalsContact O-N 3.15Å; R96-E99 PolarHBondContact O-N 3.3Å; E99-C101 PolarHBondContact O-N 3.23Å; E99-F102 PolarHBondContact O-N 3.2Å; E99-H103 WeakPolarHBondContact O-CB 3.49Å; E99-H103 PolarHBondContact O-N 3.32Å
100	Q	82.5	Confident	80.5	Confident	110 Å²	110	71.2 Å²	71.2	51%	0.514	35%	0.349	S	S	.	.	H	α-helix	trans	-61.7	-40.9	176.7	-75.1	173.2	-39.7	0	0	112.7	R96 V98 H103 M104	R96-Q100 WeakPolarHBondContact O-CB 3.49Å; R96-Q100 VanDerWaalsContact O-CG 3.25Å; R96-Q100 WeakPolarHBondContact O-CG 3.2Å; R96-Q100 PolarHBondContact O-N 2.91Å; R96-Q100 PolarHBondContact O-OE1 3.43Å; V98-Q100 VanDerWaalsContact C-N 3.32Å; V98-Q100 PolarHBondContact O-N 3.44Å; Q100-H103 PolarHBondContact O-N 2.95Å; Q100-M104 WeakPolarHBondContact O-CB 3.22Å; Q100-M104 PolarHBondContact O-N 3.38Å
101	C	85.4	Confident	82	Confident	60 Å²	60	67.6 Å²	67.6	41%	0.405	34%	0.335	S	S	.	.	H	α-helix	trans	-62.4	-49.9	176.7	-176.1	0	0	0	0	111.5	S97 V98 E99 H103 M104 C105	S97-C101 WeakPolarHBondContact O-CB 3.43Å; S97-C101 PolarHBondContact O-N 3.31Å; S97-C101 VanDerWaalsContact O-N 3.1Å; V98-C101 WeakPolarHBondContact O-CB 3.35Å; V98-C101 PolarHBondContact O-N 2.87Å; E99-C101 PolarHBondContact O-N 3.23Å; C101-H103 VanDerWaalsContact C-N 3.32Å; C101-H103 PolarHBondContact O-N 3.07Å; C101-M104 WeakPolarHBondContact O-CB 3.23Å; C101-M104 PolarHBondContact O-N 2.9Å; C101-C105 PolarHBondContact O-N 2.98Å; C101-C105 PolarHBondContact O-SG 3.06Å
102	F	85.9	Confident	83.4	Confident	55 Å²	55	63.8 Å²	63.8	24%	0.241	32%	0.319	C	S	.	.	H	α-helix	trans	-64.9	-36.3	178.5	-80.9	-75.5	0	0	0	112.8	L84 F85 V88 V98 E99 M104 C105 D106	L84-F102 HydrophobicContact CB-CD1 3.88Å; L84-F102 HydrophobicContact CB-CE1 3.76Å; L84-F102 HydrophobicContact CD1-CE1 4.02Å; L84-F102 HydrophobicContact CG-CE1 4.43Å; F85-F102 HydrophobicContact CB-CB 4.06Å; F85-F102 HydrophobicContact CD2-CB 4.15Å; V88-F102 HydrophobicContact CB-CD2 4.23Å; V88-F102 HydrophobicContact CG1-CD2 4.08Å; V88-F102 HydrophobicContact CG2-CD2 3.88Å; V88-F102 HydrophobicContact CG2-CE2 3.85Å; V88-F102 HydrophobicContact CG2-CG 4.48Å; V88-F102 HydrophobicContact CG2-CZ 4.43Å; V98-F102 HydrophobicContact CG1-CD2 3.77Å; V98-F102 HydrophobicContact CG1-CE2 3.64Å; V98-F102 VanDerWaalsContact O-CD2 3.3Å; V98-F102 WeakPolarHBondContact O-CD2 3.35Å; V98-F102 PolarHBondContact O-N 3.44Å; E99-F102 PolarHBondContact O-N 3.2Å; F102-M104 VanDerWaalsContact C-N 3.31Å; F102-M104 PolarHBondContact O-N 3.28Å; F102-C105 PolarHBondContact O-N 3.46Å; F102-D106 WeakPolarHBondContact O-CB 3.34Å; F102-D106 PolarHBondContact O-N 3.49Å
103	H	86.2	Confident	85.1	Confident	55 Å²	55	58.2 Å²	58.2	26%	0.255	30%	0.295	S	S	.	.	H	α-helix	trans	-63	-39.9	174.4	-170.4	-133.8	0	0	0	112.1	F85 E99 Q100 C101 D106 R107 E154	F85-H103 HydrophobicContact CD2-CB 3.9Å; F85-H103 AromaticContact CE1-CD2 3.86Å; F85-H103 HydrophobicContact CE2-CB 3.56Å; F85-H103 AromaticContact CE2-CD2 3.64Å; F85-H103 AromaticContact CE2-CG 3.89Å; F85-H103 HydrophobicContact CZ-CB 4.23Å; F85-H103 AromaticContact CZ-CD2 3.36Å; F85-H103 WeakPolarHBondContact CZ-CD2 3.42Å; E99-H103 WeakPolarHBondContact O-CB 3.49Å; E99-H103 PolarHBondContact O-N 3.32Å; Q100-H103 PolarHBondContact O-N 2.95Å; C101-H103 VanDerWaalsContact C-N 3.32Å; C101-H103 PolarHBondContact O-N 3.07Å; H103-D106 PolarHBondContact O-N 3.28Å; H103-R107 VanDerWaalsContact O-CD 3.23Å; H103-R107 WeakPolarHBondContact O-CD 3.48Å; H103-R107 WeakPolarHBondContact O-CG 3.29Å; H103-R107 PolarHBondContact O-N 2.94Å; H103-E154 IonicContact CE1-OE1 3.91Å; H103-E154 PolarHBondContact CE1-OE1 2.66Å; H103-E154 IonicContact CE1-OE2 3.78Å; H103-E154 IonicContact ND1-OE1 3.02Å; H103-E154 IonicContact NE2-OE1 3.03Å
104	M	87.4	Confident	86.7	Confident	28 Å²	28	57.1 Å²	57.1	14%	0.138	29%	0.285	C	S	.	.	H	α-helix	trans	-65	-45.6	174.3	179.3	174	48.4	0	0	111.3	Q100 C101 F102 D106 R107 M108 V149 F150	Q100-M104 WeakPolarHBondContact O-CB 3.22Å; Q100-M104 PolarHBondContact O-N 3.38Å; C101-M104 WeakPolarHBondContact O-CB 3.23Å; C101-M104 PolarHBondContact O-N 2.9Å; F102-M104 VanDerWaalsContact C-N 3.31Å; F102-M104 PolarHBondContact O-N 3.28Å; M104-D106 VanDerWaalsContact C-N 3.31Å; M104-D106 PolarHBondContact O-N 2.82Å; M104-R107 PolarHBondContact O-N 3.46Å; M104-M108 HydrophobicContact CG-CE 3.44Å; M104-M108 VanDerWaalsContact CG-CE 3.44Å; M104-M108 HydrophobicContact CG-CG 4.45Å; M104-M108 HydrophobicContact CG-SD 3.98Å; M104-M108 VanDerWaalsContact O-CG 3.29Å; M104-M108 WeakPolarHBondContact O-CG 3.32Å; M104-M108 PolarHBondContact O-N 2.97Å; M104-M108 HydrophobicContact SD-CE 3.62Å; M104-V149 HydrophobicContact CG-CG1 4.01Å; M104-F150 HydrophobicContact CE-CD2 4.38Å; M104-F150 HydrophobicContact SD-CD2 3.8Å; M104-F150 HydrophobicContact SD-CE2 4.47Å
105	C	90	Very high	88.3	Confident	43 Å²	43	48.4 Å²	48.4	29%	0.291	25%	0.245	S	C	.	.	H	α-helix	trans	-58.5	-41.6	175.3	-66.9	0	0	0	0	112.3	I81 C101 F102 R107 M108 V109	I81-C105 HydrophobicContact CG2-CB 3.72Å; C101-C105 PolarHBondContact O-N 2.98Å; C101-C105 PolarHBondContact O-SG 3.06Å; F102-C105 PolarHBondContact O-N 3.46Å; C105-R107 VanDerWaalsContact C-N 3.26Å; C105-R107 PolarHBondContact O-N 3.44Å; C105-M108 PolarHBondContact O-N 2.72Å; C105-V109 PolarHBondContact O-N 3.24Å
106	D	90.2	Very high	89.5	Confident	11 Å²	11	44.7 Å²	44.7	6%	0.059	23%	0.226	C	C	.	.	H	α-helix	trans	-60.5	-35.5	178.2	-173.5	62.4	0	0	0	112.5	I81 S82 F85 F102 H103 M104 V109	I81-D106 HydrophobicContact CG2-CB 4.24Å; S82-D106 WeakPolarHBondContact CA-OD1 3.04Å; S82-D106 VanDerWaalsContact CB-OD1 3.22Å; S82-D106 WeakPolarHBondContact CB-OD1 3.49Å; S82-D106 PolarHBondContact N-OD1 2.89Å; F85-D106 HydrophobicContact CB-CB 4.35Å; F85-D106 HydrophobicContact CG-CB 4.49Å; F102-D106 WeakPolarHBondContact O-CB 3.34Å; F102-D106 PolarHBondContact O-N 3.49Å; H103-D106 PolarHBondContact O-N 3.28Å; M104-D106 VanDerWaalsContact C-N 3.31Å; M104-D106 PolarHBondContact O-N 2.82Å; D106-V109 WeakPolarHBondContact O-CG1 3.39Å
107	R	91.1	Very high	90.5	Very high	18 Å²	18	37.1 Å²	37.1	7%	0.068	20%	0.199	C	C	.	.	H	α-helix	trans	-75.9	-42.6	175.1	-65.4	153.1	117.8	-87.8	-178.7	111.5	H103 M104 C105 V109 I110 V149 E154 E160 Y164	H103-R107 VanDerWaalsContact O-CD 3.23Å; H103-R107 WeakPolarHBondContact O-CD 3.48Å; H103-R107 WeakPolarHBondContact O-CG 3.29Å; H103-R107 PolarHBondContact O-N 2.94Å; M104-R107 PolarHBondContact O-N 3.46Å; C105-R107 VanDerWaalsContact C-N 3.26Å; C105-R107 PolarHBondContact O-N 3.44Å; R107-V109 VanDerWaalsContact C-N 3.33Å; R107-V109 PolarHBondContact O-N 2.86Å; R107-I110 PolarHBondContact O-N 3.48Å; R107-V149 HydrophobicContact CB-CG1 3.93Å; R107-V149 HydrophobicContact CB-CG2 4.42Å; R107-E154 IonicContact CZ-OE1 3.17Å; R107-E154 IonicContact NE-OE1 2.63Å; R107-E154 PolarHBondContact NE-OE1 3.23Å; R107-E154 VanDerWaalsContact NH1-CG 3.31Å; R107-E154 IonicContact NH1-OE1 3.64Å; R107-E154 PolarHBondContact NH1-OE1 2.8Å; R107-E160 VanDerWaalsContact CZ-CD 3.49Å; R107-E160 IonicContact CZ-OE1 3.95Å; R107-E160 VanDerWaalsContact CZ-OE1 3.26Å; R107-E160 IonicContact CZ-OE2 3.1Å; R107-E160 IonicContact NE-OE1 2.7Å; R107-E160 IonicContact NH1-OE1 2.94Å; R107-E160 IonicContact NH1-OE2 3.64Å; R107-E160 PolarHBondContact NH1-OE2 2.9Å; R107-E160 IonicContact NH2-OE1 3.35Å; R107-E160 PolarHBondContact NH2-OE1 3.3Å; R107-E160 IonicContact NH2-OE2 3.76Å; R107-E160 PolarHBondContact NH2-OE2 2.77Å; R107-Y164 PolarHBondContact O-OH 3.48Å
108	M	93.6	Very high	91.3	Very high	27 Å²	27	33.7 Å²	33.7	13%	0.133	17%	0.172	C	C	.	.	H	α-helix	trans	-63	-39	179.8	-70.5	175.6	171.9	0	0	112.4	M104 C105 I110 Y111 F112 T146 V149 F150	M104-M108 HydrophobicContact CG-CE 3.44Å; M104-M108 VanDerWaalsContact CG-CE 3.44Å; M104-M108 HydrophobicContact CG-CG 4.45Å; M104-M108 HydrophobicContact CG-SD 3.98Å; M104-M108 VanDerWaalsContact O-CG 3.29Å; M104-M108 WeakPolarHBondContact O-CG 3.32Å; M104-M108 PolarHBondContact O-N 2.97Å; M104-M108 HydrophobicContact SD-CE 3.62Å; C105-M108 PolarHBondContact O-N 2.72Å; M108-I110 PolarHBondContact O-N 2.93Å; M108-Y111 PolarHBondContact O-N 3.42Å; M108-Y111 VanDerWaalsContact O-N 3.12Å; M108-F112 WeakPolarHBondContact O-CD2 3.49Å; M108-F112 PolarHBondContact O-N 2.94Å; M108-T146 HydrophobicContact CB-CG2 4.22Å; M108-T146 HydrophobicContact CE-CG2 4.12Å; M108-T146 HydrophobicContact CG-CG2 3.85Å; M108-T146 HydrophobicContact SD-CG2 3.84Å; M108-V149 HydrophobicContact CE-CB 4.36Å; M108-V149 HydrophobicContact CE-CG1 4.11Å; M108-V149 HydrophobicContact CG-CB 4.17Å; M108-V149 HydrophobicContact CG-CG1 3.86Å; M108-F150 HydrophobicContact CE-CB 3.57Å; M108-F150 HydrophobicContact CE-CD2 3.93Å; M108-F150 HydrophobicContact CE-CG 4.25Å
109	V	95.2	Very high	92	Very high	8 Å²	8	31.4 Å²	31.4	5%	0.048	16%	0.159	C	C	.	.	H	α-helix	trans	-63.9	-26.2	-177.8	70.4	0	0	0	0	112.3	L78 I81 C105 D106 R107 Y111 F112 F113	L78-V109 HydrophobicContact CD1-CG1 4.21Å; I81-V109 HydrophobicContact CB-CG1 4.27Å; I81-V109 HydrophobicContact CD1-CB 3.89Å; I81-V109 HydrophobicContact CD1-CG1 4.4Å; I81-V109 HydrophobicContact CD1-CG2 3.93Å; I81-V109 HydrophobicContact CG2-CG1 4.3Å; C105-V109 PolarHBondContact O-N 3.24Å; D106-V109 WeakPolarHBondContact O-CG1 3.39Å; R107-V109 VanDerWaalsContact C-N 3.33Å; R107-V109 PolarHBondContact O-N 2.86Å; V109-Y111 PolarHBondContact O-N 3.24Å; V109-F112 PolarHBondContact O-N 3.29Å; V109-F113 VanDerWaalsContact O-CB 3.27Å; V109-F113 WeakPolarHBondContact O-CB 3.31Å; V109-F113 PolarHBondContact O-N 2.96Å
110	I	94.7	Very high	92.7	Very high	32 Å²	32	28.9 Å²	28.9	16%	0.164	15%	0.147	C	C	.	.	H	α-helix	trans	-61.4	-44.1	174.6	-60.6	170.6	0	0	0	110.7	L78 R107 M108 F113 I114 Y164 W214	L78-I110 HydrophobicContact CD1-CG1 4.24Å; R107-I110 PolarHBondContact O-N 3.48Å; M108-I110 PolarHBondContact O-N 2.93Å; I110-F113 PolarHBondContact O-N 3.43Å; I110-I114 HydrophobicContact CG2-CD1 3.97Å; I110-I114 HydrophobicContact CG2-CG1 4.49Å; I110-I114 VanDerWaalsContact O-CG1 3.28Å; I110-I114 WeakPolarHBondContact O-CG1 3.31Å; I110-I114 PolarHBondContact O-N 2.63Å; I110-Y164 HydrophobicContact CB-CD1 4.36Å; I110-Y164 HydrophobicContact CB-CE1 3.76Å; I110-Y164 HydrophobicContact CG2-CD1 3.67Å; I110-Y164 HydrophobicContact CG2-CE1 3.58Å; I110-Y164 HydrophobicContact CG2-CG 4.25Å; I110-W214 HydrophobicContact CD1-CH2 4.31Å; I110-W214 HydrophobicContact CD1-CZ2 4.35Å
111	Y	95.7	Very high	93.2	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.008	12%	0.123	C	C	.	.	H	α-helix	trans	-61	-47.2	176.5	-74.2	-73.6	0	0	0	111.7	M108 V109 F113 I114 A115 G145 V149 C163 Y164 M167	M108-Y111 PolarHBondContact O-N 3.42Å; M108-Y111 VanDerWaalsContact O-N 3.12Å; V109-Y111 PolarHBondContact O-N 3.24Å; Y111-F113 VanDerWaalsContact C-N 3.34Å; Y111-F113 PolarHBondContact O-N 3.27Å; Y111-I114 PolarHBondContact O-N 3.48Å; Y111-A115 PolarHBondContact O-N 2.95Å; Y111-A115 VanDerWaalsContact O-N 3.12Å; Y111-G145 WeakPolarHBondContact CE2-O 3.37Å; Y111-V149 HydrophobicContact CD2-CG2 4.32Å; Y111-V149 HydrophobicContact CE2-CG2 3.61Å; Y111-C163 HydrophobicContact CE1-CB 4.01Å; Y111-C163 VanDerWaalsContact OH-CB 3.26Å; Y111-C163 WeakPolarHBondContact OH-CB 3.42Å; Y111-Y164 AromaticContact CD1-CD1 3.91Å; Y111-Y164 HydrophobicContact CD1-CD1 3.91Å; Y111-Y164 AromaticContact CD1-CE1 3.87Å; Y111-Y164 HydrophobicContact CD1-CE1 3.87Å; Y111-Y164 HydrophobicContact CD2-CD1 4.24Å; Y111-Y164 AromaticContact CD2-CE1 3.36Å; Y111-Y164 HydrophobicContact CD2-CE1 3.36Å; Y111-Y164 AromaticContact CE1-CD1 3.56Å; Y111-Y164 HydrophobicContact CE1-CD1 3.56Å; Y111-Y164 AromaticContact CE1-CE1 3.62Å; Y111-Y164 HydrophobicContact CE1-CE1 3.62Å; Y111-Y164 AromaticContact CE2-CD1 3.9Å; Y111-Y164 HydrophobicContact CE2-CD1 3.9Å; Y111-Y164 AromaticContact CE2-CE1 3.06Å; Y111-Y164 HydrophobicContact CE2-CE1 3.06Å; Y111-Y164 AromaticContact CE2-CZ 3.49Å; Y111-Y164 VanDerWaalsContact CE2-CZ 3.49Å; Y111-Y164 WeakPolarHBondContact CE2-OH 3.35Å; Y111-Y164 HydrophobicContact CG-CD1 4.23Å; Y111-Y164 AromaticContact CG-CE1 3.74Å; Y111-Y164 HydrophobicContact CG-CE1 3.74Å; Y111-Y164 AromaticContact CZ-CD1 3.54Å; Y111-Y164 AromaticContact CZ-CE1 3.2Å; Y111-Y164 AromaticContact CZ-CZ 3.79Å; Y111-M167 HydrophobicContact CD1-SD 3.7Å; Y111-M167 WeakPolarHBondContact O-CE 3.48Å
112	F	96.3	Very high	93.6	Very high	86 Å²	86	21 Å²	21	38%	0.377	10%	0.104	S	C	.	.	H	α-helix	trans	-63.5	-40.3	177.8	-75.4	-74.5	0	0	0	112.2	M108 V109 A115 A116 W139 T146	M108-F112 WeakPolarHBondContact O-CD2 3.49Å; M108-F112 PolarHBondContact O-N 2.94Å; V109-F112 PolarHBondContact O-N 3.29Å; F112-A115 PolarHBondContact O-N 3.32Å; F112-A116 VanDerWaalsContact O-CB 3.25Å; F112-A116 WeakPolarHBondContact O-CB 3.37Å; F112-A116 PolarHBondContact O-N 3.32Å; F112-W139 HydrophobicContact CD1-CZ3 4.1Å; F112-T146 HydrophobicContact CE2-CG2 3.95Å; F112-T146 VanDerWaalsContact CE2-OG1 3.31Å; F112-T146 WeakPolarHBondContact CE2-OG1 3.32Å; F112-T146 HydrophobicContact CZ-CG2 4.41Å
113	F	97.1	Very high	94	Very high	8 Å²	8	19.8 Å²	19.8	4%	0.035	10%	0.1	C	C	.	.	H	α-helix	trans	-65.2	-40.9	178.2	177.1	-113.1	0	0	0	112.1	Y71 L75 L78 V109 I110 Y111 A115 A116 S117 Y194 A222	Y71-F113 HydrophobicContact CE2-CE2 4.12Å; L75-F113 HydrophobicContact CB-CE2 3.97Å; L75-F113 HydrophobicContact CD1-CE2 3.6Å; L75-F113 HydrophobicContact CD1-CZ 3.84Å; L75-F113 HydrophobicContact CG-CE2 4.41Å; L78-F113 HydrophobicContact CB-CG 4.41Å; L78-F113 HydrophobicContact CD1-CB 4.36Å; L78-F113 HydrophobicContact CD1-CD1 4.38Å; L78-F113 HydrophobicContact CD1-CG 4.44Å; L78-F113 HydrophobicContact CD2-CD1 3.71Å; L78-F113 HydrophobicContact CD2-CD2 4.37Å; L78-F113 HydrophobicContact CD2-CE1 3.78Å; L78-F113 HydrophobicContact CD2-CE2 4.44Å; L78-F113 HydrophobicContact CD2-CG 4.01Å; L78-F113 HydrophobicContact CD2-CZ 4.16Å; V109-F113 VanDerWaalsContact O-CB 3.27Å; V109-F113 WeakPolarHBondContact O-CB 3.31Å; V109-F113 PolarHBondContact O-N 2.96Å; I110-F113 PolarHBondContact O-N 3.43Å; Y111-F113 VanDerWaalsContact C-N 3.34Å; Y111-F113 PolarHBondContact O-N 3.27Å; F113-A115 VanDerWaalsContact C-N 3.35Å; F113-A115 PolarHBondContact O-N 3.41Å; F113-A116 PolarHBondContact O-N 3.12Å; F113-S117 WeakPolarHBondContact O-CB 3.31Å; F113-S117 PolarHBondContact O-N 3.22Å; F113-S117 PolarHBondContact O-OG 3.19Å; F113-Y194 WeakPolarHBondContact CE1-OH 3.47Å; F113-A222 HydrophobicContact CE1-CB 4.4Å; F113-A222 HydrophobicContact CZ-CB 3.91Å
114	I	96.4	Very high	94.2	Very high	23 Å²	23	19.2 Å²	19.2	12%	0.118	10%	0.099	C	C	.	.	H	α-helix	trans	-61.5	-43.8	174.4	-64.8	164.7	0	0	0	110.5	I110 Y111 S117 Y118 Y164 M167	I110-I114 HydrophobicContact CG2-CD1 3.97Å; I110-I114 HydrophobicContact CG2-CG1 4.49Å; I110-I114 VanDerWaalsContact O-CG1 3.28Å; I110-I114 WeakPolarHBondContact O-CG1 3.31Å; I110-I114 PolarHBondContact O-N 2.63Å; Y111-I114 PolarHBondContact O-N 3.48Å; I114-S117 PolarHBondContact O-N 2.7Å; I114-S117 PolarHBondContact O-OG 2.98Å; I114-Y118 HydrophobicContact CG2-CD2 4.2Å; I114-Y118 HydrophobicContact CG2-CE2 3.82Å; I114-Y118 WeakPolarHBondContact O-CD2 3.27Å; I114-Y118 PolarHBondContact O-N 3.42Å; I114-Y164 HydrophobicContact CD1-CD1 4.13Å; I114-M167 HydrophobicContact CB-CE 4.1Å; I114-M167 HydrophobicContact CB-CG 4.48Å; I114-M167 HydrophobicContact CB-SD 4.33Å; I114-M167 HydrophobicContact CG2-CB 4.31Å; I114-M167 HydrophobicContact CG2-CE 4.07Å; I114-M167 HydrophobicContact CG2-CG 3.76Å; I114-M167 HydrophobicContact CG2-SD 4.23Å
115	A	97.4	Very high	94.3	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-63.4	-43.7	175.8	0	0	0	0	0	111.8	Y111 F112 F113 S117 Y118 A119 V138 W139 A142 M167	Y111-A115 PolarHBondContact O-N 2.95Å; Y111-A115 VanDerWaalsContact O-N 3.12Å; F112-A115 PolarHBondContact O-N 3.32Å; F113-A115 VanDerWaalsContact C-N 3.35Å; F113-A115 PolarHBondContact O-N 3.41Å; A115-S117 VanDerWaalsContact C-N 3.35Å; A115-S117 PolarHBondContact O-N 3.23Å; A115-Y118 PolarHBondContact O-N 2.96Å; A115-A119 PolarHBondContact O-N 2.61Å; A115-V138 HydrophobicContact CB-CB 4.42Å; A115-W139 HydrophobicContact CB-CD2 4.19Å; A115-W139 HydrophobicContact CB-CE3 4.01Å; A115-W139 HydrophobicContact CB-CH2 4.38Å; A115-W139 HydrophobicContact CB-CZ3 4.13Å; A115-A142 HydrophobicContact CB-CB 4.01Å; A115-M167 HydrophobicContact CB-CE 3.66Å
116	A	97.4	Very high	94.1	Very high	3 Å²	3	25.5 Å²	25.5	3%	0.025	12%	0.122	C	C	.	.	H	α-helix	trans	-66.1	-33.6	-179.5	0	0	0	0	0	112.9	V70 F112 F113 Y118 A119 P120	V70-A116 HydrophobicContact CG1-CB 3.95Å; F112-A116 VanDerWaalsContact O-CB 3.25Å; F112-A116 WeakPolarHBondContact O-CB 3.37Å; F112-A116 PolarHBondContact O-N 3.32Å; F113-A116 PolarHBondContact O-N 3.12Å; A116-Y118 VanDerWaalsContact C-N 3.29Å; A116-Y118 PolarHBondContact O-N 3.37Å; A116-A119 PolarHBondContact O-N 3.47Å; A116-P120 VanDerWaalsContact O-CD 3.26Å; A116-P120 WeakPolarHBondContact O-CD 3.38Å
117	S	96.8	Very high	93.6	Very high	10 Å²	10	26 Å²	26	7%	0.07	13%	0.125	C	C	.	.	H	α-helix	trans	-68.6	-27.9	177.8	70.1	0	0	0	0	113	F113 I114 A115	F113-S117 WeakPolarHBondContact O-CB 3.31Å; F113-S117 PolarHBondContact O-N 3.22Å; F113-S117 PolarHBondContact O-OG 3.19Å; I114-S117 PolarHBondContact O-N 2.7Å; I114-S117 PolarHBondContact O-OG 2.98Å; A115-S117 VanDerWaalsContact C-N 3.35Å; A115-S117 PolarHBondContact O-N 3.23Å
118	Y	96.3	Very high	93.2	Very high	21 Å²	21	26.9 Å²	26.9	8%	0.082	14%	0.139	C	C	.	.	H	α-helix	trans	-81.4	-23.2	173.1	-72.7	-60.5	0	0	0	114	I114 A115 A116 W121 L122 V138 M167 G168 P171 I175	I114-Y118 HydrophobicContact CG2-CD2 4.2Å; I114-Y118 HydrophobicContact CG2-CE2 3.82Å; I114-Y118 WeakPolarHBondContact O-CD2 3.27Å; I114-Y118 PolarHBondContact O-N 3.42Å; A115-Y118 PolarHBondContact O-N 2.96Å; A116-Y118 VanDerWaalsContact C-N 3.29Å; A116-Y118 PolarHBondContact O-N 3.37Å; Y118-W121 PolarHBondContact O-N 3.34Å; Y118-L122 WeakPolarHBondContact O-CB 3.11Å; Y118-L122 WeakPolarHBondContact O-CG 3.49Å; Y118-L122 PolarHBondContact O-N 2.85Å; Y118-V138 HydrophobicContact CD2-CG1 4.36Å; Y118-M167 WeakPolarHBondContact CE2-O 3.5Å; Y118-G168 PolarHBondContact OH-O 3.32Å; Y118-P171 HydrophobicContact CD1-CB 4.05Å; Y118-P171 HydrophobicContact CD2-CB 3.84Å; Y118-P171 HydrophobicContact CD2-CG 3.93Å; Y118-P171 HydrophobicContact CE1-CB 3.96Å; Y118-P171 HydrophobicContact CE2-CB 3.75Å; Y118-P171 HydrophobicContact CE2-CG 3.67Å; Y118-P171 HydrophobicContact CG-CB 3.99Å; Y118-I175 HydrophobicContact CD1-CD1 3.57Å; Y118-I175 HydrophobicContact CE1-CD1 3.78Å
119	A	95.6	Very high	92.7	Very high	6 Å²	6	31 Å²	31	5%	0.05	17%	0.168	C	C	.	.	H	α-helix	trans	-57	-46	-172.9	0	0	0	0	0	113.8	V70 A115 A116 W121 L122 N123	V70-A119 HydrophobicContact CG1-CB 3.73Å; A115-A119 PolarHBondContact O-N 2.61Å; A116-A119 PolarHBondContact O-N 3.47Å; A119-W121 PolarHBondContact O-N 3.33Å; A119-L122 PolarHBondContact O-N 3.25Å; A119-N123 WeakPolarHBondContact O-CB 3.26Å; A119-N123 PolarHBondContact O-N 3.04Å; A119-N123 PolarHBondContact O-ND2 2.97Å
120	P	94.8	Very high	92.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-60.5	-43.7	177.8	-24.1	34.9	0	0	0	112.9	Y71 A116 N123 L124 I229 L233	Y71-P120 HydrophobicContact CG-CG 4.14Å; A116-P120 VanDerWaalsContact O-CD 3.26Å; A116-P120 WeakPolarHBondContact O-CD 3.38Å; P120-N123 PolarHBondContact O-N 2.83Å; P120-L124 HydrophobicContact CB-CD1 4.42Å; P120-L124 VanDerWaalsContact O-CB 3.24Å; P120-L124 WeakPolarHBondContact O-CB 3.25Å; P120-L124 WeakPolarHBondContact O-CG 3.37Å; P120-L124 PolarHBondContact O-N 3.05Å; P120-I229 HydrophobicContact CB-CD1 4.43Å; P120-I229 HydrophobicContact CB-CG1 4.26Å; P120-I229 HydrophobicContact CB-CG2 3.94Å; P120-I229 HydrophobicContact CG-CD1 4.05Å; P120-I229 HydrophobicContact CG-CG1 4.41Å; P120-I229 HydrophobicContact CG-CG2 4.17Å; P120-L233 HydrophobicContact CB-CD1 3.73Å
121	W	94.6	Very high	92	Very high	3 Å²	3	38 Å²	38	1%	0.011	19%	0.193	C	C	.	.	H	α-helix	trans	-64.6	-45.5	178	-64.4	97	0	0	0	111.8	Y118 A119 N123 R125 L127 I175 L187 A228 I229 L233	Y118-W121 PolarHBondContact O-N 3.34Å; A119-W121 PolarHBondContact O-N 3.33Å; W121-N123 VanDerWaalsContact C-N 3.31Å; W121-N123 PolarHBondContact O-N 2.8Å; W121-R125 WeakPolarHBondContact O-CB 3.33Å; W121-R125 PolarHBondContact O-N 3.28Å; W121-L127 WeakPolarHBondContact O-CD1 3.45Å; W121-I175 HydrophobicContact CB-CD1 3.78Å; W121-I175 HydrophobicContact CB-CG1 4.39Å; W121-I175 HydrophobicContact CG-CD1 4.05Å; W121-L187 HydrophobicContact CD2-CD1 3.95Å; W121-L187 HydrophobicContact CE3-CD1 4.19Å; W121-L187 HydrophobicContact CH2-CD1 4.02Å; W121-L187 HydrophobicContact CH2-CG 4.35Å; W121-L187 HydrophobicContact CZ2-CD1 3.76Å; W121-L187 HydrophobicContact CZ2-CD2 3.82Å; W121-L187 HydrophobicContact CZ2-CG 3.85Å; W121-L187 HydrophobicContact CZ3-CD1 4.22Å; W121-A228 HydrophobicContact CH2-CB 4.38Å; W121-A228 HydrophobicContact CZ2-CB 3.82Å; W121-I229 HydrophobicContact CZ2-CG1 4.27Å; W121-L233 HydrophobicContact CD2-CD1 3.95Å; W121-L233 HydrophobicContact CE3-CD1 4.15Å; W121-L233 HydrophobicContact CE3-CD2 4.14Å; W121-L233 HydrophobicContact CE3-CG 4.49Å; W121-L233 HydrophobicContact CG-CD1 4.32Å; W121-L233 HydrophobicContact CH2-CG 4.46Å; W121-L233 HydrophobicContact CZ2-CD1 4.41Å; W121-L233 HydrophobicContact CZ3-CD1 4.47Å; W121-L233 HydrophobicContact CZ3-CD2 4.04Å; W121-L233 HydrophobicContact CZ3-CG 4.38Å
122	L	93.9	Very high	91.6	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-69.4	-31.4	-178.7	-66.7	175.9	0	0	0	112.3	Y118 A119 L127 M134 R135 V138 V174	Y118-L122 WeakPolarHBondContact O-CB 3.11Å; Y118-L122 WeakPolarHBondContact O-CG 3.49Å; Y118-L122 PolarHBondContact O-N 2.85Å; A119-L122 PolarHBondContact O-N 3.25Å; L122-L127 HydrophobicContact CD2-CD1 3.83Å; L122-M134 HydrophobicContact CD1-CB 4.42Å; L122-M134 HydrophobicContact CD1-CG 4.1Å; L122-M134 HydrophobicContact CD2-CB 4.04Å; L122-M134 HydrophobicContact CD2-CG 3.99Å; L122-R135 HydrophobicContact CB-CG 3.68Å; L122-R135 HydrophobicContact CD1-CG 4.32Å; L122-R135 PolarHBondContact O-NE 3.13Å; L122-R135 PolarHBondContact O-NH2 3.49Å; L122-V138 HydrophobicContact CD1-CG1 4.31Å; L122-V138 HydrophobicContact CD1-CG2 4.16Å; L122-V174 HydrophobicContact CD2-CG1 4.49Å
123	N	92.8	Very high	91.5	Very high	30 Å²	30	43.2 Å²	43.2	16%	0.16	23%	0.226	C	C	.	.	H	α-helix	trans	-86.5	-44	-176.6	-71.7	-21.9	0	0	0	113.9	S67 A119 P120 W121 R135	S67-N123 WeakPolarHBondContact OG-CB 3.5Å; S67-N123 PolarHBondContact OG-ND2 2.91Å; S67-N123 VanDerWaalsContact OG-ND2 3.14Å; A119-N123 WeakPolarHBondContact O-CB 3.26Å; A119-N123 PolarHBondContact O-N 3.04Å; A119-N123 PolarHBondContact O-ND2 2.97Å; P120-N123 PolarHBondContact O-N 2.83Å; W121-N123 VanDerWaalsContact C-N 3.31Å; W121-N123 PolarHBondContact O-N 2.8Å; N123-R135 PolarHBondContact O-NH2 2.91Å; N123-R135 PolarHBondContact OD1-NE 3.48Å
124	L	91.4	Very high	91.3	Very high	44 Å²	44	43.5 Å²	43.5	23%	0.23	23%	0.227	C	C	.	.	H	α-helix	trans	-97.7	-26	-168.1	-53.8	179	0	0	0	113	W63 E64 P120 L233 Y234	W63-L124 HydrophobicContact CB-CD2 3.88Å; E64-L124 HydrophobicContact CB-CD2 4.35Å; E64-L124 HydrophobicContact CG-CD1 4.1Å; E64-L124 HydrophobicContact CG-CD2 3.73Å; P120-L124 HydrophobicContact CB-CD1 4.42Å; P120-L124 VanDerWaalsContact O-CB 3.24Å; P120-L124 WeakPolarHBondContact O-CB 3.25Å; P120-L124 WeakPolarHBondContact O-CG 3.37Å; P120-L124 PolarHBondContact O-N 3.05Å; L124-L233 HydrophobicContact CD1-CB 4.07Å; L124-L233 HydrophobicContact CD1-CD1 4.43Å; L124-Y234 HydrophobicContact CD1-CE2 3.81Å
125	R	89.7	Confident	91.2	Very high	29 Å²	29	45.7 Å²	45.7	11%	0.109	23%	0.234	C	C	.	.	S	Bend	trans	-89.3	138.1	180	-160.1	61.1	157.3	-168.5	-11.4	110.7	W121 L127 E180 S182	W121-R125 WeakPolarHBondContact O-CB 3.33Å; W121-R125 PolarHBondContact O-N 3.28Å; R125-L127 HydrophobicContact CB-CD2 4.47Å; R125-L127 HydrophobicContact CB-CG 4.11Å; R125-L127 HydrophobicContact CG-CD2 4.23Å; R125-L127 HydrophobicContact CG-CG 4.35Å; R125-L127 PolarHBondContact O-N 3.21Å; R125-E180 IonicContact CZ-OE1 2.8Å; R125-E180 IonicContact CZ-OE2 3.75Å; R125-E180 IonicContact NH1-OE1 3.87Å; R125-E180 IonicContact NH1-OE2 2.77Å; R125-E180 PolarHBondContact NH1-OE2 3.31Å; R125-E180 VanDerWaalsContact NH2-CB 3.25Å; R125-E180 PolarHBondContact NH2-O 3.41Å; R125-E180 IonicContact NH2-OE1 3.17Å; R125-E180 PolarHBondContact NH2-OE1 2.88Å; R125-E180 IonicContact NH2-OE2 2.86Å; R125-E180 PolarHBondContact NH2-OE2 2.92Å; R125-S182 PolarHBondContact NH2-OG 3.17Å
126	E	84.7	Confident	91	Very high	173 Å²	173	54.6 Å²	54.6	81%	0.808	27%	0.268	S	S	*	.			trans	-69.7	99.8	166.3	-67.9	-167	173.4	0	0	109.6
127	L	81.1	Confident	90.9	Very high	23 Å²	23	57.6 Å²	57.6	12%	0.12	28%	0.283	C	S	.	.			trans	-109.9	150.3	174.8	-63.6	170.9	0	0	0	107.2	W121 L122 R125 A131 V174 M178	W121-L127 WeakPolarHBondContact O-CD1 3.45Å; L122-L127 HydrophobicContact CD2-CD1 3.83Å; R125-L127 HydrophobicContact CB-CD2 4.47Å; R125-L127 HydrophobicContact CB-CG 4.11Å; R125-L127 HydrophobicContact CG-CD2 4.23Å; R125-L127 HydrophobicContact CG-CG 4.35Å; R125-L127 PolarHBondContact O-N 3.21Å; L127-A131 HydrophobicContact CB-CB 3.4Å; L127-A131 VanDerWaalsContact CB-CB 3.4Å; L127-A131 HydrophobicContact CD1-CB 4.2Å; L127-A131 HydrophobicContact CG-CB 4.44Å; L127-V174 HydrophobicContact CB-CG1 4.29Å; L127-V174 HydrophobicContact CD1-CG1 4.27Å; L127-M178 HydrophobicContact CD2-CB 3.54Å
128	G	81.9	Confident	90.9	Very high	36 Å²	36	57.2 Å²	57.2	37%	0.371	28%	0.28	S	S	.	.			trans	-54.2	176	-179.8	0	0	0	0	0	113.7	W130 A131	G128-W130 PolarHBondContact O-N 3.37Å; G128-A131 WeakPolarHBondContact O-CB 3.42Å; G128-A131 PolarHBondContact O-N 3.37Å
129	P	83.7	Confident	91	Very high	114 Å²	114	60.4 Å²	60.4	74%	0.74	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-25.3	-169.6	20.9	-33.6	0	0	0	114.7	A131	P129-A131 PolarHBondContact O-N 3.15Å
130	W	86.2	Confident	91	Very high	180 Å²	180	64.5 Å²	64.5	68%	0.682	32%	0.317	S	S	*	.	H	α-helix	trans	-66.5	-17.9	177	-64.5	108	0	0	0	115.1	G128 C132 H133 M134 V174	G128-W130 PolarHBondContact O-N 3.37Å; W130-C132 VanDerWaalsContact C-N 3.34Å; W130-C132 PolarHBondContact O-N 3.49Å; W130-H133 PolarHBondContact O-N 3Å; W130-M134 PolarHBondContact O-N 3.19Å; W130-V174 HydrophobicContact CB-CG2 4.25Å
131	A	87.6	Confident	91.1	Very high	7 Å²	7	66.2 Å²	66.2	6%	0.058	33%	0.325	C	S	.	.	H	α-helix	trans	-62.5	-39.1	-177.2	0	0	0	0	0	113.2	L127 G128 P129 H133 M134 R135 V174	L127-A131 HydrophobicContact CB-CB 3.4Å; L127-A131 VanDerWaalsContact CB-CB 3.4Å; L127-A131 HydrophobicContact CD1-CB 4.2Å; L127-A131 HydrophobicContact CG-CB 4.44Å; G128-A131 WeakPolarHBondContact O-CB 3.42Å; G128-A131 PolarHBondContact O-N 3.37Å; P129-A131 PolarHBondContact O-N 3.15Å; A131-H133 VanDerWaalsContact C-N 3.35Å; A131-H133 PolarHBondContact O-N 3.47Å; A131-M134 PolarHBondContact O-N 2.7Å; A131-M134 VanDerWaalsContact O-N 3.17Å; A131-R135 WeakPolarHBondContact O-CG 3.27Å; A131-R135 PolarHBondContact O-N 3.08Å; A131-V174 HydrophobicContact CB-CG1 4.21Å
132	C	88.6	Confident	91.2	Very high	73 Å²	73	66 Å²	66	49%	0.493	32%	0.324	S	S	.	.	H	α-helix	trans	-61.1	-44	177.2	-177.3	0	0	0	0	111.5	W130 M134 R135	W130-C132 VanDerWaalsContact C-N 3.34Å; W130-C132 PolarHBondContact O-N 3.49Å; C132-M134 VanDerWaalsContact C-N 3.33Å; C132-M134 PolarHBondContact O-N 3.25Å; C132-R135 WeakPolarHBondContact O-CB 3.36Å; C132-R135 PolarHBondContact O-N 3.25Å
133	H	92.7	Very high	91.3	Very high	124 Å²	124	69 Å²	69	57%	0.574	35%	0.345	S	S	*	.	H	α-helix	trans	-65.1	-39.6	175	-63.7	-59.7	0	0	0	111.7	W130 A131 R135 W136 L137	W130-H133 PolarHBondContact O-N 3Å; A131-H133 VanDerWaalsContact C-N 3.35Å; A131-H133 PolarHBondContact O-N 3.47Å; H133-R135 VanDerWaalsContact C-N 3.32Å; H133-R135 PolarHBondContact O-N 2.98Å; H133-W136 PolarHBondContact O-N 2.97Å; H133-L137 WeakPolarHBondContact O-CB 3.49Å; H133-L137 PolarHBondContact O-N 3.05Å
134	M	94.4	Very high	91.4	Very high	13 Å²	13	74.1 Å²	74.1	6%	0.064	37%	0.366	C	S	.	.	H	α-helix	trans	-64.7	-35.5	179.7	-164.8	58	73.5	0	0	112.4	L122 W130 A131 C132 W136 L137 V138 F170 P171 V174	L122-M134 HydrophobicContact CD1-CB 4.42Å; L122-M134 HydrophobicContact CD1-CG 4.1Å; L122-M134 HydrophobicContact CD2-CB 4.04Å; L122-M134 HydrophobicContact CD2-CG 3.99Å; W130-M134 PolarHBondContact O-N 3.19Å; A131-M134 PolarHBondContact O-N 2.7Å; A131-M134 VanDerWaalsContact O-N 3.17Å; C132-M134 VanDerWaalsContact C-N 3.33Å; C132-M134 PolarHBondContact O-N 3.25Å; M134-W136 VanDerWaalsContact C-N 3.33Å; M134-W136 PolarHBondContact O-N 3.19Å; M134-L137 PolarHBondContact O-N 3.34Å; M134-L137 HydrophobicContact SD-CB 4.4Å; M134-L137 HydrophobicContact SD-CD2 4.07Å; M134-V138 HydrophobicContact CG-CG1 4.38Å; M134-V138 WeakPolarHBondContact O-CG2 3.41Å; M134-V138 PolarHBondContact O-N 3.12Å; M134-V138 HydrophobicContact SD-CG1 4.35Å; M134-F170 HydrophobicContact CE-CD1 3.96Å; M134-F170 HydrophobicContact CE-CE1 3.64Å; M134-F170 HydrophobicContact CE-CZ 4.46Å; M134-F170 HydrophobicContact SD-CD1 4.17Å; M134-F170 HydrophobicContact SD-CE1 4.17Å; M134-P171 HydrophobicContact CG-CB 3.99Å; M134-P171 HydrophobicContact SD-CB 3.85Å; M134-P171 HydrophobicContact SD-CG 4.13Å; M134-V174 HydrophobicContact CB-CG2 4.21Å; M134-V174 HydrophobicContact CE-CB 4.45Å; M134-V174 HydrophobicContact CE-CG2 3.45Å; M134-V174 VanDerWaalsContact CE-CG2 3.45Å; M134-V174 HydrophobicContact CG-CG2 4.22Å
135	R	93	Very high	91.5	Very high	69 Å²	69	72.1 Å²	72.1	26%	0.26	36%	0.356	S	S	.	.	H	α-helix	trans	-53.6	-48	174.9	-72.1	174.4	-168.6	-168	3	111.7	L122 N123 A131 C132 H133 V138	L122-R135 HydrophobicContact CB-CG 3.68Å; L122-R135 HydrophobicContact CD1-CG 4.32Å; L122-R135 PolarHBondContact O-NE 3.13Å; L122-R135 PolarHBondContact O-NH2 3.49Å; N123-R135 PolarHBondContact O-NH2 2.91Å; N123-R135 PolarHBondContact OD1-NE 3.48Å; A131-R135 WeakPolarHBondContact O-CG 3.27Å; A131-R135 PolarHBondContact O-N 3.08Å; C132-R135 WeakPolarHBondContact O-CB 3.36Å; C132-R135 PolarHBondContact O-N 3.25Å; H133-R135 VanDerWaalsContact C-N 3.32Å; H133-R135 PolarHBondContact O-N 2.98Å; R135-V138 WeakPolarHBondContact O-CG2 3.31Å
136	W	94.4	Very high	91.7	Very high	187 Å²	187	71.8 Å²	71.8	71%	0.708	36%	0.357	S	S	*	.	H	α-helix	trans	-75.4	-38.6	179.6	-66.4	105.7	0	0	0	112.2	H133 M134 V138 W139 V140	H133-W136 PolarHBondContact O-N 2.97Å; M134-W136 VanDerWaalsContact C-N 3.33Å; M134-W136 PolarHBondContact O-N 3.19Å; W136-V138 VanDerWaalsContact C-N 3.33Å; W136-V138 PolarHBondContact O-N 3.05Å; W136-W139 PolarHBondContact O-N 2.96Å; W136-V140 WeakPolarHBondContact O-CG2 3.38Å; W136-V140 PolarHBondContact O-N 3.44Å
137	L	95.8	Very high	92.1	Very high	67 Å²	67	66.8 Å²	66.8	35%	0.351	34%	0.338	S	S	.	.	H	α-helix	trans	-62.5	-38.8	-177.1	-174	60.5	0	0	0	112.5	H133 M134 W139 V140 M141 F170	H133-L137 WeakPolarHBondContact O-CB 3.49Å; H133-L137 PolarHBondContact O-N 3.05Å; M134-L137 PolarHBondContact O-N 3.34Å; M134-L137 HydrophobicContact SD-CB 4.4Å; M134-L137 HydrophobicContact SD-CD2 4.07Å; L137-W139 VanDerWaalsContact C-N 3.32Å; L137-W139 PolarHBondContact O-N 2.88Å; L137-V140 PolarHBondContact O-N 2.9Å; L137-M141 HydrophobicContact CD1-CG 4.44Å; L137-M141 HydrophobicContact CG-CE 4.23Å; L137-M141 HydrophobicContact CG-CG 4.47Å; L137-M141 WeakPolarHBondContact O-CG 3.43Å; L137-M141 PolarHBondContact O-N 3.46Å; L137-F170 HydrophobicContact CD2-CD1 4.2Å; L137-F170 HydrophobicContact CD2-CE1 3.47Å; L137-F170 VanDerWaalsContact CD2-CE1 3.47Å; L137-F170 HydrophobicContact CD2-CZ 4.39Å
138	V	96.8	Very high	92.6	Very high	1 Å²	1	67 Å²	67	1%	0.006	34%	0.338	C	S	.	.	H	α-helix	trans	-61.3	-39.6	176.9	-66.8	0	0	0	0	112.4	A115 Y118 L122 M134 R135 W136 M141 A142 M167 P171	A115-V138 HydrophobicContact CB-CB 4.42Å; Y118-V138 HydrophobicContact CD2-CG1 4.36Å; L122-V138 HydrophobicContact CD1-CG1 4.31Å; L122-V138 HydrophobicContact CD1-CG2 4.16Å; M134-V138 HydrophobicContact CG-CG1 4.38Å; M134-V138 WeakPolarHBondContact O-CG2 3.41Å; M134-V138 PolarHBondContact O-N 3.12Å; M134-V138 HydrophobicContact SD-CG1 4.35Å; R135-V138 WeakPolarHBondContact O-CG2 3.31Å; W136-V138 VanDerWaalsContact C-N 3.33Å; W136-V138 PolarHBondContact O-N 3.05Å; V138-M141 HydrophobicContact CB-CE 4.49Å; V138-M141 HydrophobicContact CG1-CE 4.06Å; V138-M141 PolarHBondContact O-N 2.9Å; V138-A142 WeakPolarHBondContact O-CB 3.25Å; V138-A142 PolarHBondContact O-N 2.87Å; V138-M167 WeakPolarHBondContact O-CE 3.38Å; V138-P171 HydrophobicContact CG1-CB 3.76Å; V138-P171 HydrophobicContact CG1-CG 3.43Å; V138-P171 VanDerWaalsContact CG1-CG 3.43Å
139	W	96.9	Very high	92.9	Very high	89 Å²	89	65.4 Å²	65.4	34%	0.337	32%	0.321	S	S	.	.	H	α-helix	trans	-72.5	-34.2	177.6	-68.1	110.5	0	0	0	112.7	V70 F112 A115 W136 L137 A142 S143	V70-W139 HydrophobicContact CG1-CH2 3.89Å; V70-W139 HydrophobicContact CG1-CZ2 3.69Å; F112-W139 HydrophobicContact CD1-CZ3 4.1Å; A115-W139 HydrophobicContact CB-CD2 4.19Å; A115-W139 HydrophobicContact CB-CE3 4.01Å; A115-W139 HydrophobicContact CB-CH2 4.38Å; A115-W139 HydrophobicContact CB-CZ3 4.13Å; W136-W139 PolarHBondContact O-N 2.96Å; L137-W139 VanDerWaalsContact C-N 3.32Å; L137-W139 PolarHBondContact O-N 2.88Å; W139-A142 PolarHBondContact O-N 3.29Å; W139-S143 WeakPolarHBondContact O-CB 3.16Å; W139-S143 PolarHBondContact O-N 3.42Å; W139-S143 PolarHBondContact O-OG 2.9Å
140	V	96.8	Very high	93.1	Very high	92 Å²	92	65.1 Å²	65.1	56%	0.558	31%	0.308	S	S	*	.	H	α-helix	trans	-64.4	-45.8	172.2	172.1	0	0	0	0	110.5	W136 L137 A142 S143 F144	W136-V140 WeakPolarHBondContact O-CG2 3.38Å; W136-V140 PolarHBondContact O-N 3.44Å; L137-V140 PolarHBondContact O-N 2.9Å; V140-A142 VanDerWaalsContact C-N 3.34Å; V140-A142 PolarHBondContact O-N 3.34Å; V140-S143 PolarHBondContact O-N 2.98Å; V140-F144 WeakPolarHBondContact O-CB 3.48Å; V140-F144 PolarHBondContact O-N 3.02Å
141	M	96	Very high	93.2	Very high	35 Å²	35	63.1 Å²	63.1	17%	0.172	31%	0.305	C	S	.	.	H	α-helix	trans	-61.2	-42.3	175	-71.2	-171	-64.1	0	0	111.7	L137 V138 F144 G145 M167 F170 P171	L137-M141 HydrophobicContact CD1-CG 4.44Å; L137-M141 HydrophobicContact CG-CE 4.23Å; L137-M141 HydrophobicContact CG-CG 4.47Å; L137-M141 WeakPolarHBondContact O-CG 3.43Å; L137-M141 PolarHBondContact O-N 3.46Å; V138-M141 HydrophobicContact CB-CE 4.49Å; V138-M141 HydrophobicContact CG1-CE 4.06Å; V138-M141 PolarHBondContact O-N 2.9Å; M141-F144 PolarHBondContact O-N 3.49Å; M141-G145 PolarHBondContact O-N 2.98Å; M141-M167 HydrophobicContact CB-CG 4.13Å; M141-M167 HydrophobicContact CB-SD 4.2Å; M141-M167 HydrophobicContact CE-CG 4.24Å; M141-F170 HydrophobicContact CE-CD1 4.32Å; M141-F170 HydrophobicContact SD-CD1 4.45Å; M141-P171 HydrophobicContact CE-CG 3.85Å
142	A	96.6	Very high	93.1	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-58.4	-51	175.2	0	0	0	0	0	111.1	A115 V138 W139 V140 F144 G145 T146 M167	A115-A142 HydrophobicContact CB-CB 4.01Å; V138-A142 WeakPolarHBondContact O-CB 3.25Å; V138-A142 PolarHBondContact O-N 2.87Å; W139-A142 PolarHBondContact O-N 3.29Å; V140-A142 VanDerWaalsContact C-N 3.34Å; V140-A142 PolarHBondContact O-N 3.34Å; A142-F144 VanDerWaalsContact C-N 3.33Å; A142-F144 PolarHBondContact O-N 3.32Å; A142-G145 PolarHBondContact O-N 2.86Å; A142-G145 VanDerWaalsContact O-N 3.17Å; A142-T146 PolarHBondContact O-N 3.24Å; A142-T146 PolarHBondContact O-OG1 3.37Å; A142-M167 HydrophobicContact CB-CE 3.59Å; A142-M167 HydrophobicContact CB-SD 4.48Å
143	S	96.3	Very high	92.4	Very high	63 Å²	63	70 Å²	70	44%	0.441	32%	0.324	S	S	.	.	H	α-helix	trans	-61.5	-41.5	-178.9	-57.9	0	0	0	0	111.7	W139 V140 T147	W139-S143 WeakPolarHBondContact O-CB 3.16Å; W139-S143 PolarHBondContact O-N 3.42Å; W139-S143 PolarHBondContact O-OG 2.9Å; V140-S143 PolarHBondContact O-N 2.98Å; S143-T147 VanDerWaalsContact O-CB 3.32Å; S143-T147 WeakPolarHBondContact O-CB 3.23Å; S143-T147 PolarHBondContact O-N 3.23Å; S143-T147 PolarHBondContact O-OG1 2.77Å
144	F	95.2	Very high	91.5	Very high	138 Å²	138	67.2 Å²	67.2	61%	0.605	31%	0.311	S	S	*	.	H	α-helix	trans	-63.1	-46.2	174.5	179.5	-98.2	0	0	0	111.6	V140 M141 A142 T147 Y148	V140-F144 WeakPolarHBondContact O-CB 3.48Å; V140-F144 PolarHBondContact O-N 3.02Å; M141-F144 PolarHBondContact O-N 3.49Å; A142-F144 VanDerWaalsContact C-N 3.33Å; A142-F144 PolarHBondContact O-N 3.32Å; F144-T147 PolarHBondContact O-N 3.03Å; F144-Y148 WeakPolarHBondContact O-CB 3.29Å; F144-Y148 PolarHBondContact O-N 2.77Å
145	G	93.3	Very high	90.6	Very high	1 Å²	1	75.3 Å²	75.3	1%	0.01	34%	0.341	C	S	.	.	H	α-helix	trans	-61.3	-45.3	177	0	0	0	0	0	113.3	Y111 M141 A142 T147 Y148 V149	Y111-G145 WeakPolarHBondContact CE2-O 3.37Å; M141-G145 PolarHBondContact O-N 2.98Å; A142-G145 PolarHBondContact O-N 2.86Å; A142-G145 VanDerWaalsContact O-N 3.17Å; G145-T147 VanDerWaalsContact C-N 3.35Å; G145-T147 PolarHBondContact O-N 2.95Å; G145-Y148 WeakPolarHBondContact O-CB 3.44Å; G145-Y148 PolarHBondContact O-N 2.86Å; G145-V149 WeakPolarHBondContact O-CG2 3.34Å; G145-V149 PolarHBondContact O-N 3.21Å
146	T	93.1	Very high	90.2	Very high	22 Å²	22	77.4 Å²	77.4	14%	0.135	35%	0.35	C	S	.	.	H	α-helix	trans	-59.5	-45.8	173.9	-58.7	0	0	0	0	111.2	M108 F112 A142 Y148 V149 F150	M108-T146 HydrophobicContact CB-CG2 4.22Å; M108-T146 HydrophobicContact CE-CG2 4.12Å; M108-T146 HydrophobicContact CG-CG2 3.85Å; M108-T146 HydrophobicContact SD-CG2 3.84Å; F112-T146 HydrophobicContact CE2-CG2 3.95Å; F112-T146 VanDerWaalsContact CE2-OG1 3.31Å; F112-T146 WeakPolarHBondContact CE2-OG1 3.32Å; F112-T146 HydrophobicContact CZ-CG2 4.41Å; A142-T146 PolarHBondContact O-N 3.24Å; A142-T146 PolarHBondContact O-OG1 3.37Å; T146-Y148 VanDerWaalsContact C-N 3.31Å; T146-Y148 PolarHBondContact O-N 2.97Å; T146-V149 PolarHBondContact O-N 3.41Å; T146-F150 PolarHBondContact O-N 3.24Å
147	T	93.1	Very high	89.6	Confident	68 Å²	68	74.2 Å²	74.2	42%	0.417	34%	0.341	S	S	.	.	H	α-helix	trans	-61.7	-41.2	177.3	-58.6	0	0	0	0	111.2	S143 F144 G145 F150 F151	S143-T147 VanDerWaalsContact O-CB 3.32Å; S143-T147 WeakPolarHBondContact O-CB 3.23Å; S143-T147 PolarHBondContact O-N 3.23Å; S143-T147 PolarHBondContact O-OG1 2.77Å; F144-T147 PolarHBondContact O-N 3.03Å; G145-T147 VanDerWaalsContact C-N 3.35Å; G145-T147 PolarHBondContact O-N 2.95Å; T147-F150 PolarHBondContact O-N 2.79Å; T147-F151 HydrophobicContact CG2-CD2 3.6Å; T147-F151 HydrophobicContact CG2-CE2 3.44Å; T147-F151 VanDerWaalsContact CG2-CE2 3.44Å; T147-F151 VanDerWaalsContact O-CD2 3.23Å; T147-F151 WeakPolarHBondContact O-CD2 3.22Å; T147-F151 PolarHBondContact O-N 3.1Å
148	Y	91.7	Very high	89.2	Confident	27 Å²	27	76.7 Å²	76.7	11%	0.106	35%	0.354	C	S	.	.	H	α-helix	trans	-60.4	-46.7	174.9	171.4	-92.1	0	0	0	111.9	F144 G145 T146 F150 F151 Y152 Y156 M159 E160	F144-Y148 WeakPolarHBondContact O-CB 3.29Å; F144-Y148 PolarHBondContact O-N 2.77Å; G145-Y148 WeakPolarHBondContact O-CB 3.44Å; G145-Y148 PolarHBondContact O-N 2.86Å; T146-Y148 VanDerWaalsContact C-N 3.31Å; T146-Y148 PolarHBondContact O-N 2.97Å; Y148-F150 VanDerWaalsContact C-N 3.3Å; Y148-F150 PolarHBondContact O-N 3.23Å; Y148-F151 PolarHBondContact O-N 3.03Å; Y148-Y152 AromaticContact CD2-CD2 3.43Å; Y148-Y152 HydrophobicContact CD2-CD2 3.43Å; Y148-Y152 VanDerWaalsContact CD2-CD2 3.43Å; Y148-Y152 AromaticContact CD2-CE2 3.98Å; Y148-Y152 HydrophobicContact CD2-CE2 3.98Å; Y148-Y152 HydrophobicContact CD2-CG 4.16Å; Y148-Y152 AromaticContact CE2-CD2 3.58Å; Y148-Y152 HydrophobicContact CE2-CD2 3.58Å; Y148-Y152 HydrophobicContact CE2-CE2 4.23Å; Y148-Y152 AromaticContact CE2-CG 3.85Å; Y148-Y152 HydrophobicContact CE2-CG 3.85Å; Y148-Y152 HydrophobicContact CG-CD2 4.23Å; Y148-Y152 WeakPolarHBondContact O-CB 3.14Å; Y148-Y152 PolarHBondContact O-N 3.38Å; Y148-Y156 WeakPolarHBondContact OH-CB 3.27Å; Y148-Y156 PolarHBondContact OH-O 3.28Å; Y148-M159 HydrophobicContact CE2-CG 4.2Å; Y148-E160 HydrophobicContact CE1-CB 4.04Å; Y148-E160 HydrophobicContact CE1-CG 4.44Å
149	V	89.4	Confident	88.8	Confident	3 Å²	3	81.3 Å²	81.3	2%	0.018	38%	0.377	C	S	.	.	H	α-helix	trans	-60.8	-41.4	176.3	172	0	0	0	0	111	M104 R107 M108 Y111 G145 T146 F151 H153 E160	M104-V149 HydrophobicContact CG-CG1 4.01Å; R107-V149 HydrophobicContact CB-CG1 3.93Å; R107-V149 HydrophobicContact CB-CG2 4.42Å; M108-V149 HydrophobicContact CE-CB 4.36Å; M108-V149 HydrophobicContact CE-CG1 4.11Å; M108-V149 HydrophobicContact CG-CB 4.17Å; M108-V149 HydrophobicContact CG-CG1 3.86Å; Y111-V149 HydrophobicContact CD2-CG2 4.32Å; Y111-V149 HydrophobicContact CE2-CG2 3.61Å; G145-V149 WeakPolarHBondContact O-CG2 3.34Å; G145-V149 PolarHBondContact O-N 3.21Å; T146-V149 PolarHBondContact O-N 3.41Å; V149-F151 PolarHBondContact O-N 3.02Å; V149-H153 PolarHBondContact O-N 2.92Å; V149-E160 HydrophobicContact CG2-CG 4.48Å
150	F	88.1	Confident	88.3	Confident	108 Å²	108	77.4 Å²	77.4	47%	0.474	36%	0.362	S	S	.	.	H	α-helix	trans	-64	-37.2	178.7	-172.2	-100.2	0	0	0	113.3	M104 M108 T146 T147 Y148 H153	M104-F150 HydrophobicContact CE-CD2 4.38Å; M104-F150 HydrophobicContact SD-CD2 3.8Å; M104-F150 HydrophobicContact SD-CE2 4.47Å; M108-F150 HydrophobicContact CE-CB 3.57Å; M108-F150 HydrophobicContact CE-CD2 3.93Å; M108-F150 HydrophobicContact CE-CG 4.25Å; T146-F150 PolarHBondContact O-N 3.24Å; T147-F150 PolarHBondContact O-N 2.79Å; Y148-F150 VanDerWaalsContact C-N 3.3Å; Y148-F150 PolarHBondContact O-N 3.23Å; F150-H153 PolarHBondContact O-CE1 3.36Å; F150-H153 PolarHBondContact O-ND1 2.92Å
151	F	88.3	Confident	88	Confident	139 Å²	139	74.3 Å²	74.3	61%	0.61	34%	0.342	S	S	*	.	H	α-helix	trans	-87.4	-41.8	-178.9	-75.1	-63.6	0	0	0	113.3	T147 Y148 V149	T147-F151 HydrophobicContact CG2-CD2 3.6Å; T147-F151 HydrophobicContact CG2-CE2 3.44Å; T147-F151 VanDerWaalsContact CG2-CE2 3.44Å; T147-F151 VanDerWaalsContact O-CD2 3.23Å; T147-F151 WeakPolarHBondContact O-CD2 3.22Å; T147-F151 PolarHBondContact O-N 3.1Å; Y148-F151 PolarHBondContact O-N 3.03Å; V149-F151 PolarHBondContact O-N 3.02Å
152	Y	84.6	Confident	87.9	Confident	114 Å²	114	76.5 Å²	76.5	45%	0.447	35%	0.354	S	S	.	.	H	α-helix	trans	-97.2	-2.1	-167.9	-67.9	-82.8	0	0	0	114.7	Y148 E154 R155 Y156	Y148-Y152 AromaticContact CD2-CD2 3.43Å; Y148-Y152 HydrophobicContact CD2-CD2 3.43Å; Y148-Y152 VanDerWaalsContact CD2-CD2 3.43Å; Y148-Y152 AromaticContact CD2-CE2 3.98Å; Y148-Y152 HydrophobicContact CD2-CE2 3.98Å; Y148-Y152 HydrophobicContact CD2-CG 4.16Å; Y148-Y152 AromaticContact CE2-CD2 3.58Å; Y148-Y152 HydrophobicContact CE2-CD2 3.58Å; Y148-Y152 HydrophobicContact CE2-CE2 4.23Å; Y148-Y152 AromaticContact CE2-CG 3.85Å; Y148-Y152 HydrophobicContact CE2-CG 3.85Å; Y148-Y152 HydrophobicContact CG-CD2 4.23Å; Y148-Y152 WeakPolarHBondContact O-CB 3.14Å; Y148-Y152 PolarHBondContact O-N 3.38Å; Y152-E154 PolarHBondContact O-N 3.47Å; Y152-R155 WeakPolarHBondContact O-CB 3.41Å; Y152-R155 PolarHBondContact O-N 3.41Å; Y152-Y156 HydrophobicContact CD1-CD2 4.38Å; Y152-Y156 HydrophobicContact CD1-CE2 4.07Å
153	H	75.1	Confident	87.7	Confident	111 Å²	111	77.9 Å²	77.9	51%	0.514	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	30	76.4	167.2	-72.6	92.6	0	0	0	114.4	V149 F150 R155	V149-H153 PolarHBondContact O-N 2.92Å; F150-H153 PolarHBondContact O-CE1 3.36Å; F150-H153 PolarHBondContact O-ND1 2.92Å; H153-R155 PolarHBondContact O-N 3.36Å
154	E	71.9	Confident	87.6	Confident	65 Å²	65	76 Å²	76	30%	0.304	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.1	-2.3	179.3	-57.2	-125	112.5	0	0	118.3	H103 R107 Y152 Y156 K157	H103-E154 IonicContact CE1-OE1 3.91Å; H103-E154 PolarHBondContact CE1-OE1 2.66Å; H103-E154 IonicContact CE1-OE2 3.78Å; H103-E154 IonicContact ND1-OE1 3.02Å; H103-E154 IonicContact NE2-OE1 3.03Å; R107-E154 IonicContact CZ-OE1 3.17Å; R107-E154 IonicContact NE-OE1 2.63Å; R107-E154 PolarHBondContact NE-OE1 3.23Å; R107-E154 VanDerWaalsContact NH1-CG 3.31Å; R107-E154 IonicContact NH1-OE1 3.64Å; R107-E154 PolarHBondContact NH1-OE1 2.8Å; Y152-E154 PolarHBondContact O-N 3.47Å; E154-Y156 VanDerWaalsContact C-N 3.28Å; E154-Y156 PolarHBondContact O-N 3.45Å; E154-K157 IonicContact OE1-NZ 3.26Å; E154-K157 WeakPolarHBondContact OE2-CE 3.25Å; E154-K157 IonicContact OE2-NZ 3.22Å; E154-K157 PolarHBondContact OE2-NZ 3.27Å; E154-K157 VanDerWaalsContact OE2-NZ 3.1Å
155	R	76.8	Confident	87.5	Confident	182 Å²	182	72 Å²	72	69%	0.687	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-35.7	-169.9	-166.6	179.9	-174.8	177	2.3	113.3	Y152 H153	Y152-R155 WeakPolarHBondContact O-CB 3.41Å; Y152-R155 PolarHBondContact O-N 3.41Å; H153-R155 PolarHBondContact O-N 3.36Å
156	Y	84	Confident	87.6	Confident	114 Å²	114	75.6 Å²	75.6	45%	0.447	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128	82.5	177.3	-44.8	-77.1	0	0	0	111.8	Y148 Y152 E154 L158 M159 E160	Y148-Y156 WeakPolarHBondContact OH-CB 3.27Å; Y148-Y156 PolarHBondContact OH-O 3.28Å; Y152-Y156 HydrophobicContact CD1-CD2 4.38Å; Y152-Y156 HydrophobicContact CD1-CE2 4.07Å; E154-Y156 VanDerWaalsContact C-N 3.28Å; E154-Y156 PolarHBondContact O-N 3.45Å; Y156-L158 VanDerWaalsContact C-N 3.26Å; Y156-L158 PolarHBondContact O-N 2.9Å; Y156-M159 PolarHBondContact O-N 2.97Å; Y156-E160 PolarHBondContact O-N 3.48Å
157	K	82.3	Confident	87.7	Confident	120 Å²	120	74.8 Å²	74.8	52%	0.522	35%	0.349	S	S	.	.	H	α-helix	trans	-58.3	-34	179.2	-58.9	-167.3	176.6	-155.5	0	113.5	E154 L161	E154-K157 IonicContact OE1-NZ 3.26Å; E154-K157 WeakPolarHBondContact OE2-CE 3.25Å; E154-K157 IonicContact OE2-NZ 3.22Å; E154-K157 PolarHBondContact OE2-NZ 3.27Å; E154-K157 VanDerWaalsContact OE2-NZ 3.1Å; K157-L161 PolarHBondContact O-N 2.92Å; K157-L161 VanDerWaalsContact O-N 3.15Å
158	L	86.7	Confident	87.7	Confident	119 Å²	119	73 Å²	73	62%	0.623	35%	0.345	S	S	*	.	H	α-helix	trans	-67.9	-43	177.5	179.5	62	0	0	0	112.2	Y156 E160 L161 I162	Y156-L158 VanDerWaalsContact C-N 3.26Å; Y156-L158 PolarHBondContact O-N 2.9Å; L158-E160 VanDerWaalsContact C-N 3.29Å; L158-E160 PolarHBondContact O-N 3.34Å; L158-L161 PolarHBondContact O-N 3.22Å; L158-I162 HydrophobicContact CD1-CD1 4.4Å; L158-I162 HydrophobicContact CG-CD1 4.09Å; L158-I162 WeakPolarHBondContact O-CG1 3.33Å; L158-I162 PolarHBondContact O-N 3.02Å
159	M	87.9	Confident	87.8	Confident	98 Å²	98	75.4 Å²	75.4	48%	0.483	36%	0.363	S	S	.	.	H	α-helix	trans	-62.7	-41.9	-179.9	-175.5	65.9	88	0	0	110.6	Y148 Y156 L161 I162 C163	Y148-M159 HydrophobicContact CE2-CG 4.2Å; Y156-M159 PolarHBondContact O-N 2.97Å; M159-L161 PolarHBondContact O-N 3.36Å; M159-I162 WeakPolarHBondContact O-CB 3.45Å; M159-I162 PolarHBondContact O-N 3.16Å; M159-C163 PolarHBondContact O-N 3.28Å; M159-C163 PolarHBondContact O-SG 3.08Å
160	E	87.9	Confident	88	Confident	6 Å²	6	79.6 Å²	79.6	3%	0.028	38%	0.381	C	S	.	.	H	α-helix	trans	-62.6	-42.5	176.4	-168	-170.8	165.7	0	0	112.7	R107 Y148 V149 Y156 L158 I162 C163 Y164	R107-E160 VanDerWaalsContact CZ-CD 3.49Å; R107-E160 IonicContact CZ-OE1 3.95Å; R107-E160 VanDerWaalsContact CZ-OE1 3.26Å; R107-E160 IonicContact CZ-OE2 3.1Å; R107-E160 IonicContact NE-OE1 2.7Å; R107-E160 IonicContact NH1-OE1 2.94Å; R107-E160 IonicContact NH1-OE2 3.64Å; R107-E160 PolarHBondContact NH1-OE2 2.9Å; R107-E160 IonicContact NH2-OE1 3.35Å; R107-E160 PolarHBondContact NH2-OE1 3.3Å; R107-E160 IonicContact NH2-OE2 3.76Å; R107-E160 PolarHBondContact NH2-OE2 2.77Å; Y148-E160 HydrophobicContact CE1-CB 4.04Å; Y148-E160 HydrophobicContact CE1-CG 4.44Å; V149-E160 HydrophobicContact CG2-CG 4.48Å; Y156-E160 PolarHBondContact O-N 3.48Å; L158-E160 VanDerWaalsContact C-N 3.29Å; L158-E160 PolarHBondContact O-N 3.34Å; E160-I162 VanDerWaalsContact C-N 3.3Å; E160-I162 PolarHBondContact O-N 3.23Å; E160-C163 WeakPolarHBondContact O-CB 3.4Å; E160-C163 PolarHBondContact O-N 3.39Å; E160-Y164 HydrophobicContact CG-CD2 4.14Å; E160-Y164 HydrophobicContact CG-CE2 3.44Å; E160-Y164 VanDerWaalsContact CG-CE2 3.44Å; E160-Y164 VanDerWaalsContact O-CD2 3.28Å; E160-Y164 WeakPolarHBondContact O-CD2 3.43Å; E160-Y164 PolarHBondContact O-N 3.22Å; E160-Y164 VanDerWaalsContact OE1-CE2 3.31Å; E160-Y164 WeakPolarHBondContact OE1-CE2 3.48Å; E160-Y164 PolarHBondContact OE1-OH 3.44Å
161	L	90.4	Very high	88.2	Confident	27 Å²	27	74.5 Å²	74.5	14%	0.141	36%	0.358	C	S	.	.	H	α-helix	trans	-61.1	-40.2	174.7	-179	63.7	0	0	0	111.9	K157 L158 M159 Y164 T165 I198 F201	K157-L161 PolarHBondContact O-N 2.92Å; K157-L161 VanDerWaalsContact O-N 3.15Å; L158-L161 PolarHBondContact O-N 3.22Å; M159-L161 PolarHBondContact O-N 3.36Å; L161-Y164 PolarHBondContact O-N 3.49Å; L161-T165 WeakPolarHBondContact O-CB 3.48Å; L161-T165 PolarHBondContact O-N 3.41Å; L161-T165 PolarHBondContact O-OG1 3.37Å; L161-I198 HydrophobicContact CD1-CB 4.46Å; L161-I198 HydrophobicContact CD1-CD1 4.19Å; L161-I198 HydrophobicContact CD1-CG1 4Å; L161-I198 HydrophobicContact CD1-CG2 3.75Å; L161-I198 HydrophobicContact CD2-CG2 3.83Å; L161-I198 HydrophobicContact CG-CG2 4.27Å; L161-F201 HydrophobicContact CD1-CD1 4.26Å; L161-F201 HydrophobicContact CD1-CE1 4.47Å
162	I	92.5	Very high	88.3	Confident	82 Å²	82	68.7 Å²	68.7	42%	0.421	34%	0.336	S	S	.	.	H	α-helix	trans	-62	-46.8	173.9	-67.7	166.1	0	0	0	109.9	L158 M159 E160 Y164 T165 V166	L158-I162 HydrophobicContact CD1-CD1 4.4Å; L158-I162 HydrophobicContact CG-CD1 4.09Å; L158-I162 WeakPolarHBondContact O-CG1 3.33Å; L158-I162 PolarHBondContact O-N 3.02Å; M159-I162 WeakPolarHBondContact O-CB 3.45Å; M159-I162 PolarHBondContact O-N 3.16Å; E160-I162 VanDerWaalsContact C-N 3.3Å; E160-I162 PolarHBondContact O-N 3.23Å; I162-Y164 PolarHBondContact O-N 2.95Å; I162-T165 PolarHBondContact O-N 2.87Å; I162-V166 HydrophobicContact CG2-CG2 4.12Å; I162-V166 WeakPolarHBondContact O-CB 3.41Å; I162-V166 VanDerWaalsContact O-CG2 3.31Å; I162-V166 WeakPolarHBondContact O-CG2 3.31Å; I162-V166 PolarHBondContact O-N 3.25Å
163	C	93.4	Very high	88.6	Confident	28 Å²	28	67.8 Å²	67.8	19%	0.189	34%	0.339	C	S	.	.	H	α-helix	trans	-58.2	-47	177.4	-68.9	0	0	0	0	112.2	Y111 M159 E160 T165 V166 M167	Y111-C163 HydrophobicContact CE1-CB 4.01Å; Y111-C163 VanDerWaalsContact OH-CB 3.26Å; Y111-C163 WeakPolarHBondContact OH-CB 3.42Å; M159-C163 PolarHBondContact O-N 3.28Å; M159-C163 PolarHBondContact O-SG 3.08Å; E160-C163 WeakPolarHBondContact O-CB 3.4Å; E160-C163 PolarHBondContact O-N 3.39Å; C163-T165 VanDerWaalsContact C-N 3.33Å; C163-T165 PolarHBondContact O-N 3.15Å; C163-V166 PolarHBondContact O-N 3.05Å; C163-M167 VanDerWaalsContact O-CB 3.29Å; C163-M167 WeakPolarHBondContact O-CB 3.46Å; C163-M167 PolarHBondContact O-N 3.12Å
164	Y	93.6	Very high	89.3	Confident	25 Å²	25	63.3 Å²	63.3	10%	0.098	32%	0.319	C	S	.	.	H	α-helix	trans	-59.1	-44.4	174.9	-67.3	-45.1	0	0	0	112.1	R107 I110 Y111 I114 E160 L161 I162 M167 G168	R107-Y164 PolarHBondContact O-OH 3.48Å; I110-Y164 HydrophobicContact CB-CD1 4.36Å; I110-Y164 HydrophobicContact CB-CE1 3.76Å; I110-Y164 HydrophobicContact CG2-CD1 3.67Å; I110-Y164 HydrophobicContact CG2-CE1 3.58Å; I110-Y164 HydrophobicContact CG2-CG 4.25Å; Y111-Y164 AromaticContact CD1-CD1 3.91Å; Y111-Y164 HydrophobicContact CD1-CD1 3.91Å; Y111-Y164 AromaticContact CD1-CE1 3.87Å; Y111-Y164 HydrophobicContact CD1-CE1 3.87Å; Y111-Y164 HydrophobicContact CD2-CD1 4.24Å; Y111-Y164 AromaticContact CD2-CE1 3.36Å; Y111-Y164 HydrophobicContact CD2-CE1 3.36Å; Y111-Y164 AromaticContact CE1-CD1 3.56Å; Y111-Y164 HydrophobicContact CE1-CD1 3.56Å; Y111-Y164 AromaticContact CE1-CE1 3.62Å; Y111-Y164 HydrophobicContact CE1-CE1 3.62Å; Y111-Y164 AromaticContact CE2-CD1 3.9Å; Y111-Y164 HydrophobicContact CE2-CD1 3.9Å; Y111-Y164 AromaticContact CE2-CE1 3.06Å; Y111-Y164 HydrophobicContact CE2-CE1 3.06Å; Y111-Y164 AromaticContact CE2-CZ 3.49Å; Y111-Y164 VanDerWaalsContact CE2-CZ 3.49Å; Y111-Y164 WeakPolarHBondContact CE2-OH 3.35Å; Y111-Y164 HydrophobicContact CG-CD1 4.23Å; Y111-Y164 AromaticContact CG-CE1 3.74Å; Y111-Y164 HydrophobicContact CG-CE1 3.74Å; Y111-Y164 AromaticContact CZ-CD1 3.54Å; Y111-Y164 AromaticContact CZ-CE1 3.2Å; Y111-Y164 AromaticContact CZ-CZ 3.79Å; I114-Y164 HydrophobicContact CD1-CD1 4.13Å; E160-Y164 HydrophobicContact CG-CD2 4.14Å; E160-Y164 HydrophobicContact CG-CE2 3.44Å; E160-Y164 VanDerWaalsContact CG-CE2 3.44Å; E160-Y164 VanDerWaalsContact O-CD2 3.28Å; E160-Y164 WeakPolarHBondContact O-CD2 3.43Å; E160-Y164 PolarHBondContact O-N 3.22Å; E160-Y164 VanDerWaalsContact OE1-CE2 3.31Å; E160-Y164 WeakPolarHBondContact OE1-CE2 3.48Å; E160-Y164 PolarHBondContact OE1-OH 3.44Å; L161-Y164 PolarHBondContact O-N 3.49Å; I162-Y164 PolarHBondContact O-N 2.95Å; Y164-M167 PolarHBondContact O-N 3.39Å; Y164-G168 PolarHBondContact O-N 3.14Å
165	T	93.8	Very high	90.1	Very high	54 Å²	54	60.4 Å²	60.4	33%	0.331	31%	0.305	S	S	.	.	H	α-helix	trans	-67.2	-45.4	-177.9	-54.1	0	0	0	0	111.3	L161 I162 C163 M167 G168 V169	L161-T165 WeakPolarHBondContact O-CB 3.48Å; L161-T165 PolarHBondContact O-N 3.41Å; L161-T165 PolarHBondContact O-OG1 3.37Å; I162-T165 PolarHBondContact O-N 2.87Å; C163-T165 VanDerWaalsContact C-N 3.33Å; C163-T165 PolarHBondContact O-N 3.15Å; T165-M167 VanDerWaalsContact C-N 3.33Å; T165-M167 PolarHBondContact O-N 3.03Å; T165-G168 CarbonylContact O-C 3.58Å; T165-G168 PolarHBondContact O-N 3.3Å; T165-V169 HydrophobicContact CG2-CG2 4.37Å; T165-V169 WeakPolarHBondContact O-CB 3.45Å; T165-V169 WeakPolarHBondContact O-CG2 3.38Å; T165-V169 PolarHBondContact O-N 2.83Å
166	V	95.3	Very high	90.7	Very high	76 Å²	76	56.2 Å²	56.2	46%	0.461	29%	0.292	S	S	.	.	H	α-helix	trans	-59.8	-47.3	176.3	169.4	0	0	0	0	110	I162 C163 G168 V169 F170	I162-V166 HydrophobicContact CG2-CG2 4.12Å; I162-V166 WeakPolarHBondContact O-CB 3.41Å; I162-V166 VanDerWaalsContact O-CG2 3.31Å; I162-V166 WeakPolarHBondContact O-CG2 3.31Å; I162-V166 PolarHBondContact O-N 3.25Å; C163-V166 PolarHBondContact O-N 3.05Å; V166-G168 VanDerWaalsContact C-N 3.28Å; V166-G168 PolarHBondContact O-N 3.43Å; V166-V169 PolarHBondContact O-N 3.2Å; V166-F170 HydrophobicContact CG1-CB 4.47Å; V166-F170 WeakPolarHBondContact O-CB 3.49Å; V166-F170 PolarHBondContact O-N 3.3Å
167	M	94.8	Very high	90.8	Very high	4 Å²	4	54.8 Å²	54.8	2%	0.02	30%	0.299	C	S	.	.	H	α-helix	trans	-65.2	-31.8	179.3	-167.5	179.4	168.4	0	0	112.8	Y111 I114 A115 Y118 V138 M141 A142 C163 Y164 T165 P171	Y111-M167 HydrophobicContact CD1-SD 3.7Å; Y111-M167 WeakPolarHBondContact O-CE 3.48Å; I114-M167 HydrophobicContact CB-CE 4.1Å; I114-M167 HydrophobicContact CB-CG 4.48Å; I114-M167 HydrophobicContact CB-SD 4.33Å; I114-M167 HydrophobicContact CG2-CB 4.31Å; I114-M167 HydrophobicContact CG2-CE 4.07Å; I114-M167 HydrophobicContact CG2-CG 3.76Å; I114-M167 HydrophobicContact CG2-SD 4.23Å; A115-M167 HydrophobicContact CB-CE 3.66Å; Y118-M167 WeakPolarHBondContact CE2-O 3.5Å; V138-M167 WeakPolarHBondContact O-CE 3.38Å; M141-M167 HydrophobicContact CB-CG 4.13Å; M141-M167 HydrophobicContact CB-SD 4.2Å; M141-M167 HydrophobicContact CE-CG 4.24Å; A142-M167 HydrophobicContact CB-CE 3.59Å; A142-M167 HydrophobicContact CB-SD 4.48Å; C163-M167 VanDerWaalsContact O-CB 3.29Å; C163-M167 WeakPolarHBondContact O-CB 3.46Å; C163-M167 PolarHBondContact O-N 3.12Å; Y164-M167 PolarHBondContact O-N 3.39Å; T165-M167 VanDerWaalsContact C-N 3.33Å; T165-M167 PolarHBondContact O-N 3.03Å; M167-P171 WeakPolarHBondContact O-CD 3.35Å; M167-P171 WeakPolarHBondContact O-CG 3.49Å
168	G	93.1	Very high	90.9	Very high	32 Å²	32	49.4 Å²	49.4	33%	0.33	28%	0.276	S	S	.	.	H	α-helix	trans	-85	-5.1	176.9	0	0	0	0	0	115.6	Y118 Y164 T165 V166	Y118-G168 PolarHBondContact OH-O 3.32Å; Y164-G168 PolarHBondContact O-N 3.14Å; T165-G168 CarbonylContact O-C 3.58Å; T165-G168 PolarHBondContact O-N 3.3Å; V166-G168 VanDerWaalsContact C-N 3.28Å; V166-G168 PolarHBondContact O-N 3.43Å
169	V	93.9	Very high	90.7	Very high	77 Å²	77	49.1 Å²	49.1	47%	0.467	28%	0.281	S	S	.	.	H	α-helix	trans	-118.6	-39.7	179.5	174.7	0	0	0	0	111.4	T165 V166 A172	T165-V169 HydrophobicContact CG2-CG2 4.37Å; T165-V169 WeakPolarHBondContact O-CB 3.45Å; T165-V169 WeakPolarHBondContact O-CG2 3.38Å; T165-V169 PolarHBondContact O-N 2.83Å; V166-V169 PolarHBondContact O-N 3.2Å; V169-A172 VanDerWaalsContact O-CB 3.26Å; V169-A172 WeakPolarHBondContact O-CB 3.47Å; V169-A172 PolarHBondContact O-N 3.02Å; V169-A172 VanDerWaalsContact O-N 3.1Å
170	F	93.6	Very high	90.5	Very high	91 Å²	91	48.8 Å²	48.8	40%	0.399	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-46.1	-174.2	-175.5	-97.5	0	0	0	113.4	M134 L137 M141 V166 A172 L173	M134-F170 HydrophobicContact CE-CD1 3.96Å; M134-F170 HydrophobicContact CE-CE1 3.64Å; M134-F170 HydrophobicContact CE-CZ 4.46Å; M134-F170 HydrophobicContact SD-CD1 4.17Å; M134-F170 HydrophobicContact SD-CE1 4.17Å; L137-F170 HydrophobicContact CD2-CD1 4.2Å; L137-F170 HydrophobicContact CD2-CE1 3.47Å; L137-F170 VanDerWaalsContact CD2-CE1 3.47Å; L137-F170 HydrophobicContact CD2-CZ 4.39Å; M141-F170 HydrophobicContact CE-CD1 4.32Å; M141-F170 HydrophobicContact SD-CD1 4.45Å; V166-F170 HydrophobicContact CG1-CB 4.47Å; V166-F170 WeakPolarHBondContact O-CB 3.49Å; V166-F170 PolarHBondContact O-N 3.3Å; F170-A172 VanDerWaalsContact C-N 3.26Å; F170-A172 PolarHBondContact O-N 2.84Å; F170-L173 HydrophobicContact CD2-CD1 4.1Å; F170-L173 HydrophobicContact CE2-CD1 4.37Å; F170-L173 WeakPolarHBondContact O-CB 3.48Å; F170-L173 WeakPolarHBondContact O-CG 3.35Å; F170-L173 PolarHBondContact O-N 3.25Å
171	P	92.3	Very high	90.5	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-25.3	176.2	-19.7	34.9	0	0	0	113.5	Y118 M134 V138 M141 M167 L173 V174	Y118-P171 HydrophobicContact CD1-CB 4.05Å; Y118-P171 HydrophobicContact CD2-CB 3.84Å; Y118-P171 HydrophobicContact CD2-CG 3.93Å; Y118-P171 HydrophobicContact CE1-CB 3.96Å; Y118-P171 HydrophobicContact CE2-CB 3.75Å; Y118-P171 HydrophobicContact CE2-CG 3.67Å; Y118-P171 HydrophobicContact CG-CB 3.99Å; M134-P171 HydrophobicContact CG-CB 3.99Å; M134-P171 HydrophobicContact SD-CB 3.85Å; M134-P171 HydrophobicContact SD-CG 4.13Å; V138-P171 HydrophobicContact CG1-CB 3.76Å; V138-P171 HydrophobicContact CG1-CG 3.43Å; V138-P171 VanDerWaalsContact CG1-CG 3.43Å; M141-P171 HydrophobicContact CE-CG 3.85Å; M167-P171 WeakPolarHBondContact O-CD 3.35Å; M167-P171 WeakPolarHBondContact O-CG 3.49Å; P171-L173 PolarHBondContact O-N 2.86Å; P171-V174 PolarHBondContact O-N 3.41Å; P171-V174 VanDerWaalsContact O-N 3.15Å
172	A	90.9	Very high	90.5	Very high	18 Å²	18	54.7 Å²	54.7	15%	0.149	31%	0.308	C	S	.	.	H	α-helix	trans	-62.4	-25	177.4	0	0	0	0	0	112.3	V169 F170 V174 I175 F176	V169-A172 VanDerWaalsContact O-CB 3.26Å; V169-A172 WeakPolarHBondContact O-CB 3.47Å; V169-A172 PolarHBondContact O-N 3.02Å; V169-A172 VanDerWaalsContact O-N 3.1Å; F170-A172 VanDerWaalsContact C-N 3.26Å; F170-A172 PolarHBondContact O-N 2.84Å; A172-V174 VanDerWaalsContact C-N 3.26Å; A172-V174 PolarHBondContact O-N 3.23Å; A172-I175 PolarHBondContact O-N 3.12Å; A172-I175 VanDerWaalsContact O-N 3.07Å; A172-F176 HydrophobicContact CB-CE2 3.97Å; A172-F176 HydrophobicContact CB-CZ 4.43Å; A172-F176 WeakPolarHBondContact O-CD2 3.39Å; A172-F176 WeakPolarHBondContact O-CG 3.42Å; A172-F176 PolarHBondContact O-N 3.02Å
173	L	90.8	Very high	90.4	Very high	95 Å²	95	50.9 Å²	50.9	50%	0.497	29%	0.289	S	S	.	.	H	α-helix	trans	-57.5	-38.3	174.8	-61.6	176.8	0	0	0	112.7	F170 P171 S177	F170-L173 HydrophobicContact CD2-CD1 4.1Å; F170-L173 HydrophobicContact CE2-CD1 4.37Å; F170-L173 WeakPolarHBondContact O-CB 3.48Å; F170-L173 WeakPolarHBondContact O-CG 3.35Å; F170-L173 PolarHBondContact O-N 3.25Å; P171-L173 PolarHBondContact O-N 2.86Å; L173-S177 PolarHBondContact O-OG 3.11Å
174	V	90.6	Very high	90.4	Very high	16 Å²	16	50.5 Å²	50.5	10%	0.097	29%	0.285	C	S	.	.	H	α-helix	trans	-72.5	-36.9	176.7	173.7	0	0	0	0	110.6	L122 L127 W130 A131 M134 P171 A172 S177	L122-V174 HydrophobicContact CD2-CG1 4.49Å; L127-V174 HydrophobicContact CB-CG1 4.29Å; L127-V174 HydrophobicContact CD1-CG1 4.27Å; W130-V174 HydrophobicContact CB-CG2 4.25Å; A131-V174 HydrophobicContact CB-CG1 4.21Å; M134-V174 HydrophobicContact CB-CG2 4.21Å; M134-V174 HydrophobicContact CE-CB 4.45Å; M134-V174 HydrophobicContact CE-CG2 3.45Å; M134-V174 VanDerWaalsContact CE-CG2 3.45Å; M134-V174 HydrophobicContact CG-CG2 4.22Å; P171-V174 PolarHBondContact O-N 3.41Å; P171-V174 VanDerWaalsContact O-N 3.15Å; A172-V174 VanDerWaalsContact C-N 3.26Å; A172-V174 PolarHBondContact O-N 3.23Å; V174-S177 WeakPolarHBondContact O-CB 3.43Å; V174-S177 PolarHBondContact O-N 2.96Å; V174-S177 VanDerWaalsContact O-N 3.12Å
175	I	88.7	Confident	90.5	Very high	5 Å²	5	53.3 Å²	53.3	3%	0.026	31%	0.307	C	S	.	.	H	α-helix	trans	-66.8	-37.2	177.6	-63.5	-179.5	0	0	0	111.4	Y118 W121 A172 S177 M178 L184 L187	Y118-I175 HydrophobicContact CD1-CD1 3.57Å; Y118-I175 HydrophobicContact CE1-CD1 3.78Å; W121-I175 HydrophobicContact CB-CD1 3.78Å; W121-I175 HydrophobicContact CB-CG1 4.39Å; W121-I175 HydrophobicContact CG-CD1 4.05Å; A172-I175 PolarHBondContact O-N 3.12Å; A172-I175 VanDerWaalsContact O-N 3.07Å; I175-S177 PolarHBondContact O-N 2.7Å; I175-S177 VanDerWaalsContact O-N 3.08Å; I175-M178 HydrophobicContact CG2-SD 4.05Å; I175-M178 WeakPolarHBondContact O-CB 3.42Å; I175-M178 WeakPolarHBondContact O-CG 3.36Å; I175-M178 PolarHBondContact O-N 2.85Å; I175-L184 HydrophobicContact CG2-CD1 4.27Å; I175-L187 HydrophobicContact CG2-CD1 3.72Å
176	F	88.4	Confident	90.6	Very high	93 Å²	93	52.5 Å²	52.5	41%	0.408	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-18.3	174.2	-69	-50.6	0	0	0	113.7	A172 M178 L184 L188	A172-F176 HydrophobicContact CB-CE2 3.97Å; A172-F176 HydrophobicContact CB-CZ 4.43Å; A172-F176 WeakPolarHBondContact O-CD2 3.39Å; A172-F176 WeakPolarHBondContact O-CG 3.42Å; A172-F176 PolarHBondContact O-N 3.02Å; F176-M178 VanDerWaalsContact C-N 3.3Å; F176-L184 HydrophobicContact CD1-CD1 3.7Å; F176-L184 HydrophobicContact CD1-CD2 4.2Å; F176-L184 HydrophobicContact CD1-CG 4.38Å; F176-L184 HydrophobicContact CE1-CD1 3.77Å; F176-L184 HydrophobicContact CE1-CG 4.44Å; F176-L188 HydrophobicContact CE1-CD1 4.5Å; F176-L188 HydrophobicContact CE1-CD2 3.59Å; F176-L188 HydrophobicContact CE1-CG 4.12Å; F176-L188 HydrophobicContact CZ-CD2 3.64Å
177	S	85.7	Confident	90.6	Very high	85 Å²	85	50 Å²	50	59%	0.594	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	6.7	177.8	-52.5	0	0	0	0	113.1	L173 V174 I175	L173-S177 PolarHBondContact O-OG 3.11Å; V174-S177 WeakPolarHBondContact O-CB 3.43Å; V174-S177 PolarHBondContact O-N 2.96Å; V174-S177 VanDerWaalsContact O-N 3.12Å; I175-S177 PolarHBondContact O-N 2.7Å; I175-S177 VanDerWaalsContact O-N 3.08Å
178	M	85.1	Confident	90.6	Very high	6 Å²	6	54.1 Å²	54.1	3%	0.03	31%	0.306	C	S	.	.			trans	-69.7	134.3	-179.2	71.5	-172.1	-179.7	0	0	112	L127 I175 F176 E180 S182 L184	L127-M178 HydrophobicContact CD2-CB 3.54Å; I175-M178 HydrophobicContact CG2-SD 4.05Å; I175-M178 WeakPolarHBondContact O-CB 3.42Å; I175-M178 WeakPolarHBondContact O-CG 3.36Å; I175-M178 PolarHBondContact O-N 2.85Å; F176-M178 VanDerWaalsContact C-N 3.3Å; M178-E180 VanDerWaalsContact CG-O 3.28Å; M178-E180 WeakPolarHBondContact CG-O 3.49Å; M178-S182 WeakPolarHBondContact CE-O 3.22Å; M178-L184 HydrophobicContact CE-CB 3.48Å; M178-L184 VanDerWaalsContact CE-CB 3.48Å; M178-L184 HydrophobicContact CE-CD1 3.85Å; M178-L184 HydrophobicContact CE-CD2 4.37Å; M178-L184 HydrophobicContact CE-CG 4.09Å
179	P	82.4	Confident	90.8	Very high	114 Å²	114	56.1 Å²	56.1	74%	0.74	31%	0.311	S	S	*	.	S	Bend	trans	-64.6	-44.4	-179.7	-21.2	31.9	0	0	0	112.7
180	E	84.3	Confident	91	Very high	91 Å²	91	52.4 Å²	52.4	43%	0.425	29%	0.289	S	S	.	.	S	Bend	trans	-93.4	110.3	176.1	-171.9	-158.9	153.8	0	0	109.2	R125 M178 S182	R125-E180 IonicContact CZ-OE1 2.8Å; R125-E180 IonicContact CZ-OE2 3.75Å; R125-E180 IonicContact NH1-OE1 3.87Å; R125-E180 IonicContact NH1-OE2 2.77Å; R125-E180 PolarHBondContact NH1-OE2 3.31Å; R125-E180 VanDerWaalsContact NH2-CB 3.25Å; R125-E180 PolarHBondContact NH2-O 3.41Å; R125-E180 IonicContact NH2-OE1 3.17Å; R125-E180 PolarHBondContact NH2-OE1 2.88Å; R125-E180 IonicContact NH2-OE2 2.86Å; R125-E180 PolarHBondContact NH2-OE2 2.92Å; M178-E180 VanDerWaalsContact CG-O 3.28Å; M178-E180 WeakPolarHBondContact CG-O 3.49Å; E180-S182 VanDerWaalsContact CD-OG 3.32Å; E180-S182 PolarHBondContact O-N 3.27Å; E180-S182 WeakPolarHBondContact OE1-CB 3.1Å; E180-S182 PolarHBondContact OE1-OG 2.99Å
181	Q	87.4	Confident	91.1	Very high	131 Å²	131	49.2 Å²	49.2	61%	0.612	28%	0.281	S	S	*	.			trans	-81.9	13.2	-173.5	-63.5	-171.7	-18	0	0	114.5	G183 L184	Q181-G183 PolarHBondContact O-N 3.48Å; Q181-L184 HydrophobicContact CB-CB 4.48Å; Q181-L184 HydrophobicContact CB-CD2 4.39Å; Q181-L184 HydrophobicContact CG-CD2 4.36Å; Q181-L184 VanDerWaalsContact O-CB 3.25Å; Q181-L184 WeakPolarHBondContact O-CB 3.3Å; Q181-L184 PolarHBondContact O-N 3.4Å; Q181-L184 VanDerWaalsContact O-N 3.14Å
182	S	90	Very high	91.3	Very high	26 Å²	26	51.5 Å²	51.5	18%	0.182	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	134.1	177.6	68.5	0	0	0	0	110.8	R125 M178 E180 L184	R125-S182 PolarHBondContact NH2-OG 3.17Å; M178-S182 WeakPolarHBondContact CE-O 3.22Å; E180-S182 VanDerWaalsContact CD-OG 3.32Å; E180-S182 PolarHBondContact O-N 3.27Å; E180-S182 WeakPolarHBondContact OE1-CB 3.1Å; E180-S182 PolarHBondContact OE1-OG 2.99Å; S182-L184 VanDerWaalsContact C-N 3.29Å; S182-L184 PolarHBondContact O-N 3.46Å
183	G	91	Very high	91.6	Very high	2 Å²	2	51.6 Å²	51.6	2%	0.021	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.5	-8.7	-173.3	0	0	0	0	0	116	Q181 C185 E186 L187	Q181-G183 PolarHBondContact O-N 3.48Å; G183-C185 VanDerWaalsContact C-N 3.33Å; G183-C185 PolarHBondContact O-N 3.28Å; G183-E186 VanDerWaalsContact CA-OE2 3.27Å; G183-E186 WeakPolarHBondContact CA-OE2 3.27Å; G183-E186 PolarHBondContact O-N 3.46Å; G183-L187 WeakPolarHBondContact O-CG 3.35Å; G183-L187 PolarHBondContact O-N 3.45Å
184	L	92.9	Very high	91.8	Very high	20 Å²	20	49.6 Å²	49.6	11%	0.105	29%	0.286	C	S	.	.	H	α-helix	trans	-64.5	-38.7	-178.7	-166	54	0	0	0	112.7	I175 F176 M178 Q181 S182 L187 L188	I175-L184 HydrophobicContact CG2-CD1 4.27Å; F176-L184 HydrophobicContact CD1-CD1 3.7Å; F176-L184 HydrophobicContact CD1-CD2 4.2Å; F176-L184 HydrophobicContact CD1-CG 4.38Å; F176-L184 HydrophobicContact CE1-CD1 3.77Å; F176-L184 HydrophobicContact CE1-CG 4.44Å; M178-L184 HydrophobicContact CE-CB 3.48Å; M178-L184 VanDerWaalsContact CE-CB 3.48Å; M178-L184 HydrophobicContact CE-CD1 3.85Å; M178-L184 HydrophobicContact CE-CD2 4.37Å; M178-L184 HydrophobicContact CE-CG 4.09Å; Q181-L184 HydrophobicContact CB-CB 4.48Å; Q181-L184 HydrophobicContact CB-CD2 4.39Å; Q181-L184 HydrophobicContact CG-CD2 4.36Å; Q181-L184 VanDerWaalsContact O-CB 3.25Å; Q181-L184 WeakPolarHBondContact O-CB 3.3Å; Q181-L184 PolarHBondContact O-N 3.4Å; Q181-L184 VanDerWaalsContact O-N 3.14Å; S182-L184 VanDerWaalsContact C-N 3.29Å; S182-L184 PolarHBondContact O-N 3.46Å; L184-L187 PolarHBondContact O-N 2.94Å; L184-L188 HydrophobicContact CG-CD1 4.33Å; L184-L188 WeakPolarHBondContact O-CB 3.29Å; L184-L188 WeakPolarHBondContact O-CG 3.19Å; L184-L188 PolarHBondContact O-N 2.89Å
185	C	94.8	Very high	91.9	Very high	83 Å²	83	52.3 Å²	52.3	56%	0.561	31%	0.305	S	S	*	.	H	α-helix	trans	-61	-47.7	179.1	-174.3	0	0	0	0	110.3	G183 L187 L188 V189	G183-C185 VanDerWaalsContact C-N 3.33Å; G183-C185 PolarHBondContact O-N 3.28Å; C185-L187 PolarHBondContact O-N 3.31Å; C185-L188 WeakPolarHBondContact O-CB 3.45Å; C185-L188 PolarHBondContact O-N 2.87Å; C185-V189 VanDerWaalsContact O-CG2 3.3Å; C185-V189 WeakPolarHBondContact O-CG2 3.3Å; C185-V189 PolarHBondContact O-N 3.44Å
186	E	96.6	Very high	92.2	Very high	38 Å²	38	56.6 Å²	56.6	18%	0.178	33%	0.327	C	S	.	.	H	α-helix	trans	-62.3	-42.1	177.5	-67.1	79.1	177.5	0	0	111.4	G183 L188 V189 G190 I224 Y227 A228 Y232	G183-E186 VanDerWaalsContact CA-OE2 3.27Å; G183-E186 WeakPolarHBondContact CA-OE2 3.27Å; G183-E186 PolarHBondContact O-N 3.46Å; E186-L188 VanDerWaalsContact C-N 3.34Å; E186-L188 PolarHBondContact O-N 3.24Å; E186-V189 PolarHBondContact O-N 2.9Å; E186-G190 PolarHBondContact O-N 3.44Å; E186-I224 HydrophobicContact CB-CG2 4Å; E186-I224 WeakPolarHBondContact O-CG2 3.48Å; E186-Y227 HydrophobicContact CG-CD1 4.13Å; E186-Y227 HydrophobicContact CG-CE1 4.28Å; E186-A228 HydrophobicContact CB-CB 3.66Å; E186-A228 HydrophobicContact CG-CB 4.42Å; E186-Y232 HydrophobicContact CG-CE2 4.31Å; E186-Y232 PolarHBondContact OE1-OH 3.3Å
187	L	95.4	Very high	92.4	Very high	22 Å²	22	52.1 Å²	52.1	12%	0.115	31%	0.308	C	S	.	.	H	α-helix	trans	-60.8	-42.8	174.4	-70.8	179.4	0	0	0	112.4	W121 I175 G183 L184 C185 G191 H225	W121-L187 HydrophobicContact CD2-CD1 3.95Å; W121-L187 HydrophobicContact CE3-CD1 4.19Å; W121-L187 HydrophobicContact CH2-CD1 4.02Å; W121-L187 HydrophobicContact CH2-CG 4.35Å; W121-L187 HydrophobicContact CZ2-CD1 3.76Å; W121-L187 HydrophobicContact CZ2-CD2 3.82Å; W121-L187 HydrophobicContact CZ2-CG 3.85Å; W121-L187 HydrophobicContact CZ3-CD1 4.22Å; I175-L187 HydrophobicContact CG2-CD1 3.72Å; G183-L187 WeakPolarHBondContact O-CG 3.35Å; G183-L187 PolarHBondContact O-N 3.45Å; L184-L187 PolarHBondContact O-N 2.94Å; C185-L187 PolarHBondContact O-N 3.31Å; L187-G191 PolarHBondContact O-N 3.25Å; L187-H225 PolarHBondContact O-NE2 2.92Å
188	L	95.6	Very high	92.7	Very high	92 Å²	92	50.4 Å²	50.4	48%	0.482	29%	0.291	S	S	.	.	H	α-helix	trans	-64.9	-45.5	176.6	-77.3	172.6	0	0	0	111.9	F176 L184 C185 E186 G191 A192	F176-L188 HydrophobicContact CE1-CD1 4.5Å; F176-L188 HydrophobicContact CE1-CD2 3.59Å; F176-L188 HydrophobicContact CE1-CG 4.12Å; F176-L188 HydrophobicContact CZ-CD2 3.64Å; L184-L188 HydrophobicContact CG-CD1 4.33Å; L184-L188 WeakPolarHBondContact O-CB 3.29Å; L184-L188 WeakPolarHBondContact O-CG 3.19Å; L184-L188 PolarHBondContact O-N 2.89Å; C185-L188 WeakPolarHBondContact O-CB 3.45Å; C185-L188 PolarHBondContact O-N 2.87Å; E186-L188 VanDerWaalsContact C-N 3.34Å; E186-L188 PolarHBondContact O-N 3.24Å; L188-G191 PolarHBondContact O-N 2.97Å; L188-A192 WeakPolarHBondContact O-CB 2.97Å; L188-A192 PolarHBondContact O-N 2.93Å
189	V	97.3	Very high	93.1	Very high	73 Å²	73	54.2 Å²	54.2	44%	0.442	31%	0.314	S	S	.	.	H	α-helix	trans	-65	-45.2	178.2	176.2	0	0	0	0	110.5	C185 E186 G191 A192 C193 I224	C185-V189 VanDerWaalsContact O-CG2 3.3Å; C185-V189 WeakPolarHBondContact O-CG2 3.3Å; C185-V189 PolarHBondContact O-N 3.44Å; E186-V189 PolarHBondContact O-N 2.9Å; V189-G191 VanDerWaalsContact C-N 3.35Å; V189-G191 PolarHBondContact O-N 3.03Å; V189-A192 WeakPolarHBondContact O-CB 3.36Å; V189-A192 PolarHBondContact O-N 2.71Å; V189-C193 PolarHBondContact O-N 2.88Å; V189-C193 PolarHBondContact O-SG 3.27Å; V189-C193 VanDerWaalsContact O-SG 3.37Å; V189-I224 HydrophobicContact CG1-CD1 3.96Å
190	G	96.9	Very high	93.4	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-64.1	-39	175.4	0	0	0	0	0	112.5	E186 A192 C193 Y194	E186-G190 PolarHBondContact O-N 3.44Å; G190-A192 VanDerWaalsContact C-N 3.34Å; G190-A192 PolarHBondContact O-N 3.03Å; G190-C193 WeakPolarHBondContact O-CB 3.45Å; G190-C193 PolarHBondContact O-N 3.41Å; G190-Y194 WeakPolarHBondContact O-CD2 3.5Å; G190-Y194 PolarHBondContact O-N 3.25Å
191	G	95.6	Very high	93.5	Very high	24 Å²	24	50 Å²	50	25%	0.247	28%	0.284	C	S	.	.	H	α-helix	trans	-61.7	-40.7	172.5	0	0	0	0	0	112.5	L187 L188 V189 Y194 C195 H225	L187-G191 PolarHBondContact O-N 3.25Å; L188-G191 PolarHBondContact O-N 2.97Å; V189-G191 VanDerWaalsContact C-N 3.35Å; V189-G191 PolarHBondContact O-N 3.03Å; G191-Y194 PolarHBondContact O-N 3.22Å; G191-C195 PolarHBondContact O-N 3.04Å; G191-C195 PolarHBondContact O-SG 2.98Å; G191-H225 PolarHBondContact N-NE2 3.24Å
192	A	96.3	Very high	93.5	Very high	48 Å²	48	51.4 Å²	51.4	40%	0.397	29%	0.287	S	S	.	.	H	α-helix	trans	-64.3	-39.9	173.5	0	0	0	0	0	111.6	L188 V189 G190 Y194 C195 L196	L188-A192 WeakPolarHBondContact O-CB 2.97Å; L188-A192 PolarHBondContact O-N 2.93Å; V189-A192 WeakPolarHBondContact O-CB 3.36Å; V189-A192 PolarHBondContact O-N 2.71Å; G190-A192 VanDerWaalsContact C-N 3.34Å; G190-A192 PolarHBondContact O-N 3.03Å; A192-Y194 VanDerWaalsContact C-N 3.33Å; A192-Y194 PolarHBondContact O-N 2.67Å; A192-C195 PolarHBondContact O-N 3.34Å; A192-L196 WeakPolarHBondContact O-CB 3.5Å; A192-L196 WeakPolarHBondContact O-CG 3.27Å; A192-L196 PolarHBondContact O-N 3.15Å
193	C	97	Very high	93.2	Very high	19 Å²	19	51.6 Å²	51.6	13%	0.128	29%	0.289	C	S	.	.	H	α-helix	trans	-57.7	-44.2	172.2	-68.6	0	0	0	0	111.8	V189 G190 L196 G197 F217	V189-C193 PolarHBondContact O-N 2.88Å; V189-C193 PolarHBondContact O-SG 3.27Å; V189-C193 VanDerWaalsContact O-SG 3.37Å; G190-C193 WeakPolarHBondContact O-CB 3.45Å; G190-C193 PolarHBondContact O-N 3.41Å; C193-L196 PolarHBondContact O-N 3.19Å; C193-G197 PolarHBondContact O-N 2.98Å; C193-F217 HydrophobicContact CB-CD1 4.42Å; C193-F217 WeakPolarHBondContact O-CD1 3.1Å
194	Y	95.4	Very high	92.7	Very high	53 Å²	53	55.3 Å²	55.3	21%	0.208	31%	0.308	C	S	.	.	H	α-helix	trans	-62.3	-45.1	174.7	-68.5	-50.7	0	0	0	112.3	F113 G190 G191 A192 L196 G197 I198 V218 A222 H225	F113-Y194 WeakPolarHBondContact CE1-OH 3.47Å; G190-Y194 WeakPolarHBondContact O-CD2 3.5Å; G190-Y194 PolarHBondContact O-N 3.25Å; G191-Y194 PolarHBondContact O-N 3.22Å; A192-Y194 VanDerWaalsContact C-N 3.33Å; A192-Y194 PolarHBondContact O-N 2.67Å; Y194-L196 VanDerWaalsContact C-N 3.35Å; Y194-L196 PolarHBondContact O-N 3.35Å; Y194-G197 WeakPolarHBondContact O-CA 3.34Å; Y194-G197 PolarHBondContact O-N 3.31Å; Y194-G197 VanDerWaalsContact O-N 3.13Å; Y194-I198 PolarHBondContact O-N 3.18Å; Y194-I198 VanDerWaalsContact O-N 3.07Å; Y194-V218 HydrophobicContact CD1-CG2 4.41Å; Y194-V218 HydrophobicContact CE1-CB 4.35Å; Y194-V218 HydrophobicContact CE1-CG1 4.11Å; Y194-V218 WeakPolarHBondContact CE1-O 3.37Å; Y194-A222 WeakPolarHBondContact OH-CA 3.42Å; Y194-A222 WeakPolarHBondContact OH-CB 3.16Å; Y194-A222 PolarHBondContact OH-N 3.41Å; Y194-A222 VanDerWaalsContact OH-N 3.07Å; Y194-H225 AromaticContact CE2-CE1 3.8Å; Y194-H225 AromaticContact CE2-ND1 3.92Å
195	C	94.2	Very high	91.8	Very high	74 Å²	74	58 Å²	58	50%	0.5	34%	0.34	S	S	.	.	H	α-helix	trans	-61.4	-41.9	178.4	-66.1	0	0	0	0	112.2	G191 A192 G197 I198	G191-C195 PolarHBondContact O-N 3.04Å; G191-C195 PolarHBondContact O-SG 2.98Å; A192-C195 PolarHBondContact O-N 3.34Å; C195-G197 VanDerWaalsContact C-N 3.34Å; C195-I198 WeakPolarHBondContact O-CB 3.49Å; C195-I198 PolarHBondContact O-N 2.97Å
196	L	94.6	Very high	91.1	Very high	94 Å²	94	60.3 Å²	60.3	49%	0.492	35%	0.346	S	S	.	.	H	α-helix	trans	-65.4	-38.8	174	-69.8	173.8	0	0	0	111.4	A192 C193 Y194 I198 V199 F200 F217	A192-L196 WeakPolarHBondContact O-CB 3.5Å; A192-L196 WeakPolarHBondContact O-CG 3.27Å; A192-L196 PolarHBondContact O-N 3.15Å; C193-L196 PolarHBondContact O-N 3.19Å; Y194-L196 VanDerWaalsContact C-N 3.35Å; Y194-L196 PolarHBondContact O-N 3.35Å; L196-I198 VanDerWaalsContact C-N 3.26Å; L196-I198 PolarHBondContact O-N 3.36Å; L196-V199 WeakPolarHBondContact O-CB 3.4Å; L196-V199 PolarHBondContact O-N 3.47Å; L196-V199 VanDerWaalsContact O-N 3.11Å; L196-F200 WeakPolarHBondContact O-CD2 3.3Å; L196-F217 HydrophobicContact CB-CD1 3.98Å; L196-F217 HydrophobicContact CB-CE1 3.75Å; L196-F217 HydrophobicContact CB-CZ 4.37Å; L196-F217 HydrophobicContact CD1-CE1 4.07Å
197	G	92.9	Very high	90.2	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-56.6	-37.7	174	0	0	0	0	0	113	C193 Y194 C195 V199 F200 F201 W214	C193-G197 PolarHBondContact O-N 2.98Å; Y194-G197 WeakPolarHBondContact O-CA 3.34Å; Y194-G197 PolarHBondContact O-N 3.31Å; Y194-G197 VanDerWaalsContact O-N 3.13Å; C195-G197 VanDerWaalsContact C-N 3.34Å; G197-V199 PolarHBondContact O-N 3.25Å; G197-F200 PolarHBondContact O-N 3.23Å; G197-F201 PolarHBondContact O-N 3.42Å; G197-W214 VanDerWaalsContact O-CD1 3.26Å
198	I	91.9	Very high	89.3	Confident	48 Å²	48	62.3 Å²	62.3	25%	0.246	36%	0.362	C	S	.	.	H	α-helix	trans	-58	-34.5	177.7	-68.6	170.8	0	0	0	111.9	L161 Y194 C195 L196 F200 F201 K202	L161-I198 HydrophobicContact CD1-CB 4.46Å; L161-I198 HydrophobicContact CD1-CD1 4.19Å; L161-I198 HydrophobicContact CD1-CG1 4Å; L161-I198 HydrophobicContact CD1-CG2 3.75Å; L161-I198 HydrophobicContact CD2-CG2 3.83Å; L161-I198 HydrophobicContact CG-CG2 4.27Å; Y194-I198 PolarHBondContact O-N 3.18Å; Y194-I198 VanDerWaalsContact O-N 3.07Å; C195-I198 WeakPolarHBondContact O-CB 3.49Å; C195-I198 PolarHBondContact O-N 2.97Å; L196-I198 VanDerWaalsContact C-N 3.26Å; L196-I198 PolarHBondContact O-N 3.36Å; I198-F200 VanDerWaalsContact C-N 3.32Å; I198-F200 PolarHBondContact O-N 2.86Å; I198-F201 PolarHBondContact O-N 3.47Å; I198-K202 WeakPolarHBondContact O-CB 3.39Å; I198-K202 PolarHBondContact O-N 2.9Å
199	V	92.1	Very high	88.4	Confident	86 Å²	86	60.8 Å²	60.8	52%	0.521	35%	0.352	S	S	.	.	H	α-helix	trans	-61.4	-44	177	-178.2	0	0	0	0	110.5	L196 G197 S203	L196-V199 WeakPolarHBondContact O-CB 3.4Å; L196-V199 PolarHBondContact O-N 3.47Å; L196-V199 VanDerWaalsContact O-N 3.11Å; G197-V199 PolarHBondContact O-N 3.25Å; V199-S203 WeakPolarHBondContact O-CB 3.48Å; V199-S203 PolarHBondContact O-N 3.01Å; V199-S203 VanDerWaalsContact O-N 3.08Å; V199-S203 PolarHBondContact O-OG 3.49Å
200	F	89	Confident	87.6	Confident	59 Å²	59	57.3 Å²	57.3	26%	0.259	33%	0.331	S	S	.	.	H	α-helix	trans	-72.5	-36	177.2	-66.7	-77.2	0	0	0	112.4	L196 G197 I198 K202 S203 D204 I213 W214 F217	L196-F200 WeakPolarHBondContact O-CD2 3.3Å; G197-F200 PolarHBondContact O-N 3.23Å; I198-F200 VanDerWaalsContact C-N 3.32Å; I198-F200 PolarHBondContact O-N 2.86Å; F200-K202 PolarHBondContact O-N 3.47Å; F200-S203 CarbonylContact O-C 3.49Å; F200-S203 PolarHBondContact O-N 3.42Å; F200-S203 VanDerWaalsContact O-N 3.13Å; F200-D204 PolarHBondContact O-N 2.94Å; F200-I213 HydrophobicContact CB-CG2 4.37Å; F200-I213 HydrophobicContact CD1-CB 4.18Å; F200-I213 HydrophobicContact CD1-CD1 4.41Å; F200-I213 HydrophobicContact CD1-CG2 3.68Å; F200-I213 HydrophobicContact CD2-CG2 3.86Å; F200-I213 HydrophobicContact CE1-CD1 4.39Å; F200-I213 HydrophobicContact CE1-CG2 3.85Å; F200-I213 HydrophobicContact CE2-CG2 4.02Å; F200-I213 HydrophobicContact CG-CB 4.31Å; F200-I213 HydrophobicContact CG-CG2 3.69Å; F200-I213 HydrophobicContact CZ-CG2 4.01Å; F200-W214 HydrophobicContact CB-CB 4.1Å; F200-F217 AromaticContact CD2-CD2 3.81Å; F200-F217 HydrophobicContact CD2-CD2 3.81Å; F200-F217 AromaticContact CD2-CE2 3.6Å; F200-F217 HydrophobicContact CD2-CE2 3.6Å; F200-F217 HydrophobicContact CD2-CZ 4.46Å; F200-F217 AromaticContact CE2-CD2 3.99Å; F200-F217 HydrophobicContact CE2-CD2 3.99Å; F200-F217 AromaticContact CE2-CE2 3.28Å; F200-F217 HydrophobicContact CE2-CE2 3.28Å; F200-F217 AromaticContact CE2-CZ 3.86Å; F200-F217 HydrophobicContact CE2-CZ 3.86Å; F200-F217 HydrophobicContact CZ-CE2 4.15Å
201	F	86.9	Confident	87	Confident	59 Å²	59	58.4 Å²	58.4	26%	0.259	34%	0.336	S	S	.	.	H	α-helix	trans	-58.6	-47	172.8	179.1	-101	0	0	0	111.7	L161 G197 I198 S203 D204 W214	L161-F201 HydrophobicContact CD1-CD1 4.26Å; L161-F201 HydrophobicContact CD1-CE1 4.47Å; G197-F201 PolarHBondContact O-N 3.42Å; I198-F201 PolarHBondContact O-N 3.47Å; F201-S203 PolarHBondContact O-N 3.03Å; F201-D204 VanDerWaalsContact O-CB 3.26Å; F201-D204 WeakPolarHBondContact O-CB 3.48Å; F201-D204 PolarHBondContact O-N 3.05Å; F201-W214 HydrophobicContact CB-CD2 4.22Å; F201-W214 HydrophobicContact CB-CG 3.9Å; F201-W214 AromaticContact CD2-CD2 3.75Å; F201-W214 HydrophobicContact CD2-CD2 3.75Å; F201-W214 AromaticContact CD2-CE2 3.65Å; F201-W214 AromaticContact CD2-CE3 3.98Å; F201-W214 HydrophobicContact CD2-CE3 3.98Å; F201-W214 HydrophobicContact CD2-CG 4.32Å; F201-W214 HydrophobicContact CD2-CH2 4.05Å; F201-W214 AromaticContact CD2-CZ2 3.82Å; F201-W214 HydrophobicContact CD2-CZ2 3.82Å; F201-W214 HydrophobicContact CD2-CZ3 4.11Å; F201-W214 HydrophobicContact CE2-CH2 4.1Å; F201-W214 HydrophobicContact CE2-CZ2 4.16Å; F201-W214 HydrophobicContact CE2-CZ3 4.33Å; F201-W214 HydrophobicContact CG-CD2 4.45Å
202	K	86.9	Confident	86.4	Confident	159 Å²	159	57.9 Å²	57.9	69%	0.691	33%	0.329	S	S	*	.	H	α-helix	trans	-68	-26.3	176.6	-171.4	177.3	177.2	-176.7	0	112.7	I198 F200 D204	I198-K202 WeakPolarHBondContact O-CB 3.39Å; I198-K202 PolarHBondContact O-N 2.9Å; F200-K202 PolarHBondContact O-N 3.47Å; K202-D204 PolarHBondContact O-N 3.1Å
203	S	84.8	Confident	85.9	Confident	30 Å²	30	58.2 Å²	58.2	21%	0.21	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	2.9	177.5	-55.9	0	0	0	0	113.3	V199 F200 F201 G205 I206 V207	V199-S203 WeakPolarHBondContact O-CB 3.48Å; V199-S203 PolarHBondContact O-N 3.01Å; V199-S203 VanDerWaalsContact O-N 3.08Å; V199-S203 PolarHBondContact O-OG 3.49Å; F200-S203 CarbonylContact O-C 3.49Å; F200-S203 PolarHBondContact O-N 3.42Å; F200-S203 VanDerWaalsContact O-N 3.13Å; F201-S203 PolarHBondContact O-N 3.03Å; S203-G205 PolarHBondContact O-N 3.4Å; S203-I206 WeakPolarHBondContact O-CB 3.25Å; S203-I206 PolarHBondContact O-N 3.03Å; S203-V207 PolarHBondContact O-N 3.45Å; S203-V207 VanDerWaalsContact O-N 3.08Å
204	D	79.5	Confident	85.6	Confident	80 Å²	80	58.7 Å²	58.7	43%	0.428	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	129.5	177.2	-163	16.7	0	0	0	111.1	F200 F201 K202 I206 H211	F200-D204 PolarHBondContact O-N 2.94Å; F201-D204 VanDerWaalsContact O-CB 3.26Å; F201-D204 WeakPolarHBondContact O-CB 3.48Å; F201-D204 PolarHBondContact O-N 3.05Å; K202-D204 PolarHBondContact O-N 3.1Å; D204-I206 VanDerWaalsContact C-N 3.31Å; D204-H211 IonicContact OD2-CG 3.71Å; D204-H211 IonicContact OD2-ND1 2.79Å; D204-H211 PolarHBondContact OD2-ND1 2.88Å
205	G	74.8	Confident	85.2	Confident	76 Å²	76	56.9 Å²	56.9	78%	0.784	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.4	-8.6	-170.7	0	0	0	0	0	115.8	S203	S203-G205 PolarHBondContact O-N 3.4Å
206	I	78.9	Confident	85.1	Confident	132 Å²	132	57.8 Å²	57.8	68%	0.677	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	-48	174.4	-55.1	174.7	0	0	0	110.5	S203 D204	S203-I206 WeakPolarHBondContact O-CB 3.25Å; S203-I206 PolarHBondContact O-N 3.03Å; D204-I206 VanDerWaalsContact C-N 3.31Å
207	V	77.8	Confident	85.1	Confident	63 Å²	63	55.8 Å²	55.8	38%	0.382	30%	0.303	S	S	.	.	S	Bend	trans	-103.9	134.1	-177.6	174.7	0	0	0	0	110	S203 F209 A210	S203-V207 PolarHBondContact O-N 3.45Å; S203-V207 VanDerWaalsContact O-N 3.08Å; V207-F209 PolarHBondContact O-N 3.47Å; V207-A210 HydrophobicContact CB-CB 4.03Å; V207-A210 HydrophobicContact CG1-CB 4.47Å; V207-A210 VanDerWaalsContact O-CB 3.31Å; V207-A210 WeakPolarHBondContact O-CB 3.29Å; V207-A210 PolarHBondContact O-N 3.2Å
208	P	76.4	Confident	85.1	Confident	40 Å²	40	56.8 Å²	56.8	26%	0.26	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	135.8	175.5	21.3	-31.1	0	0	0	111.1	M17 A210	M17-P208 HydrophobicContact CG-CB 3.71Å; M17-P208 HydrophobicContact CG-CG 4.19Å; M17-P208 HydrophobicContact SD-CB 4.33Å; M17-P208 HydrophobicContact SD-CG 4.18Å; P208-A210 PolarHBondContact O-N 3.15Å; P208-A210 VanDerWaalsContact O-N 3.11Å
209	F	76.4	Confident	85.2	Confident	59 Å²	59	54.6 Å²	54.6	26%	0.259	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.4	13.2	-178.8	-49.1	-76.6	0	0	0	116.1	F16 V33 V207 H211 A212 I213	F16-F209 HydrophobicContact CB-CE2 3.63Å; F16-F209 HydrophobicContact CB-CZ 3.75Å; F16-F209 HydrophobicContact CD1-CE2 4.31Å; F16-F209 AromaticContact CD1-CZ 3.93Å; F16-F209 HydrophobicContact CD1-CZ 3.93Å; F16-F209 HydrophobicContact CG-CE2 4.1Å; F16-F209 HydrophobicContact CG-CZ 4.12Å; V33-F209 HydrophobicContact CB-CE1 4.44Å; V33-F209 HydrophobicContact CG1-CD1 4.47Å; V33-F209 HydrophobicContact CG1-CE1 4.07Å; V33-F209 HydrophobicContact CG2-CE1 4.08Å; V33-F209 HydrophobicContact CG2-CZ 4.5Å; V207-F209 PolarHBondContact O-N 3.47Å; F209-H211 PolarHBondContact O-N 3.36Å; F209-H211 VanDerWaalsContact O-N 3.15Å; F209-A212 HydrophobicContact CB-CB 4.41Å; F209-A212 WeakPolarHBondContact O-CA 3.46Å; F209-A212 WeakPolarHBondContact O-CB 3.3Å; F209-A212 PolarHBondContact O-N 3.34Å; F209-I213 WeakPolarHBondContact O-CG1 3.36Å; F209-I213 PolarHBondContact O-N 2.86Å
210	A	82.2	Confident	85.4	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-51.5	-42.2	179.9	0	0	0	0	0	113	V207 P208 A212 I213 W214	V207-A210 HydrophobicContact CB-CB 4.03Å; V207-A210 HydrophobicContact CG1-CB 4.47Å; V207-A210 VanDerWaalsContact O-CB 3.31Å; V207-A210 WeakPolarHBondContact O-CB 3.29Å; V207-A210 PolarHBondContact O-N 3.2Å; P208-A210 PolarHBondContact O-N 3.15Å; P208-A210 VanDerWaalsContact O-N 3.11Å; A210-A212 VanDerWaalsContact C-N 3.35Å; A210-A212 PolarHBondContact O-N 3.49Å; A210-I213 PolarHBondContact O-N 3.29Å; A210-W214 WeakPolarHBondContact O-CB 3.3Å; A210-W214 PolarHBondContact O-N 3.38Å
211	H	82.8	Confident	85.7	Confident	24 Å²	24	50.3 Å²	50.3	11%	0.111	28%	0.277	C	S	.	.	H	α-helix	trans	-59.3	-40.5	174.4	-162.8	87.3	0	0	0	113.8	H86 D204 F209 W214 H215	H86-H211 AromaticContact CE1-NE2 3.77Å; H86-H211 AromaticContact NE2-NE2 3.78Å; D204-H211 IonicContact OD2-CG 3.71Å; D204-H211 IonicContact OD2-ND1 2.79Å; D204-H211 PolarHBondContact OD2-ND1 2.88Å; F209-H211 PolarHBondContact O-N 3.36Å; F209-H211 VanDerWaalsContact O-N 3.15Å; H211-W214 AromaticContact CE1-CE3 3.85Å; H211-W214 AromaticContact CE1-CZ3 3.57Å; H211-W214 AromaticContact ND1-CE3 4Å; H211-W214 AromaticContact NE2-CZ3 3.91Å; H211-H215 AromaticContact CD2-CD2 3.39Å; H211-H215 PolarHBondContact CD2-CD2 3.29Å; H211-H215 AromaticContact CD2-NE2 3.36Å; H211-H215 PolarHBondContact CD2-NE2 3.22Å; H211-H215 AromaticContact CE1-NE2 3.86Å; H211-H215 AromaticContact NE2-CD2 3.55Å; H211-H215 AromaticContact NE2-NE2 2.97Å; H211-H215 PolarHBondContact NE2-NE2 3.11Å; H211-H215 PolarHBondContact O-CD2 3.44Å; H211-H215 PolarHBondContact O-N 2.74Å; H211-H215 VanDerWaalsContact O-N 3.14Å
212	A	82.7	Confident	86.2	Confident	12 Å²	12	47.6 Å²	47.6	10%	0.099	27%	0.266	C	S	.	.	H	α-helix	trans	-72.7	-38.1	178.8	0	0	0	0	0	111.3	F209 A210 W214 H215 L216	F209-A212 HydrophobicContact CB-CB 4.41Å; F209-A212 WeakPolarHBondContact O-CA 3.46Å; F209-A212 WeakPolarHBondContact O-CB 3.3Å; F209-A212 PolarHBondContact O-N 3.34Å; A210-A212 VanDerWaalsContact C-N 3.35Å; A210-A212 PolarHBondContact O-N 3.49Å; A212-W214 VanDerWaalsContact C-N 3.34Å; A212-H215 PolarHBondContact O-N 3.22Å; A212-L216 PolarHBondContact O-N 3.44Å
213	I	87.1	Confident	86.6	Confident	56 Å²	56	42.3 Å²	42.3	29%	0.287	25%	0.251	S	S	.	.	H	α-helix	trans	-63.6	-42.6	174.1	-62.8	168	0	0	0	110.2	F200 F209 A210 H215 L216 F217	F200-I213 HydrophobicContact CB-CG2 4.37Å; F200-I213 HydrophobicContact CD1-CB 4.18Å; F200-I213 HydrophobicContact CD1-CD1 4.41Å; F200-I213 HydrophobicContact CD1-CG2 3.68Å; F200-I213 HydrophobicContact CD2-CG2 3.86Å; F200-I213 HydrophobicContact CE1-CD1 4.39Å; F200-I213 HydrophobicContact CE1-CG2 3.85Å; F200-I213 HydrophobicContact CE2-CG2 4.02Å; F200-I213 HydrophobicContact CG-CB 4.31Å; F200-I213 HydrophobicContact CG-CG2 3.69Å; F200-I213 HydrophobicContact CZ-CG2 4.01Å; F209-I213 WeakPolarHBondContact O-CG1 3.36Å; F209-I213 PolarHBondContact O-N 2.86Å; A210-I213 PolarHBondContact O-N 3.29Å; I213-H215 VanDerWaalsContact C-N 3.34Å; I213-H215 PolarHBondContact O-N 2.77Å; I213-L216 WeakPolarHBondContact O-CB 3.25Å; I213-L216 PolarHBondContact O-N 2.97Å; I213-L216 VanDerWaalsContact O-N 3.12Å; I213-F217 HydrophobicContact CG2-CD2 3.85Å; I213-F217 HydrophobicContact CG2-CE2 3.73Å; I213-F217 WeakPolarHBondContact O-CD2 3.18Å; I213-F217 PolarHBondContact O-N 3.09Å
214	W	90.2	Very high	87.3	Confident	28 Å²	28	42.7 Å²	42.7	11%	0.106	25%	0.25	C	S	.	.	H	α-helix	trans	-54.9	-49.5	173.6	166	56.8	0	0	0	111.6	I110 G197 F200 F201 A210 H211 A212 L216 F217 V218	I110-W214 HydrophobicContact CD1-CH2 4.31Å; I110-W214 HydrophobicContact CD1-CZ2 4.35Å; G197-W214 VanDerWaalsContact O-CD1 3.26Å; F200-W214 HydrophobicContact CB-CB 4.1Å; F201-W214 HydrophobicContact CB-CD2 4.22Å; F201-W214 HydrophobicContact CB-CG 3.9Å; F201-W214 AromaticContact CD2-CD2 3.75Å; F201-W214 HydrophobicContact CD2-CD2 3.75Å; F201-W214 AromaticContact CD2-CE2 3.65Å; F201-W214 AromaticContact CD2-CE3 3.98Å; F201-W214 HydrophobicContact CD2-CE3 3.98Å; F201-W214 HydrophobicContact CD2-CG 4.32Å; F201-W214 HydrophobicContact CD2-CH2 4.05Å; F201-W214 AromaticContact CD2-CZ2 3.82Å; F201-W214 HydrophobicContact CD2-CZ2 3.82Å; F201-W214 HydrophobicContact CD2-CZ3 4.11Å; F201-W214 HydrophobicContact CE2-CH2 4.1Å; F201-W214 HydrophobicContact CE2-CZ2 4.16Å; F201-W214 HydrophobicContact CE2-CZ3 4.33Å; F201-W214 HydrophobicContact CG-CD2 4.45Å; A210-W214 WeakPolarHBondContact O-CB 3.3Å; A210-W214 PolarHBondContact O-N 3.38Å; H211-W214 AromaticContact CE1-CE3 3.85Å; H211-W214 AromaticContact CE1-CZ3 3.57Å; H211-W214 AromaticContact ND1-CE3 4Å; H211-W214 AromaticContact NE2-CZ3 3.91Å; A212-W214 VanDerWaalsContact C-N 3.34Å; W214-L216 VanDerWaalsContact C-N 3.28Å; W214-L216 PolarHBondContact O-N 2.92Å; W214-F217 WeakPolarHBondContact O-CB 3.29Å; W214-F217 PolarHBondContact O-N 3.04Å; W214-F217 VanDerWaalsContact O-N 3.12Å; W214-V218 HydrophobicContact CZ2-CG2 4.39Å; W214-V218 WeakPolarHBondContact O-CG2 3.15Å; W214-V218 PolarHBondContact O-N 3.45Å
215	H	88	Confident	88.1	Confident	16 Å²	16	39.8 Å²	39.8	7%	0.074	23%	0.234	C	C	.	.	H	α-helix	trans	-60.3	-35.9	176.4	-78	-57.6	0	0	0	113.3	H41 H86 H211 A212 I213 V218 A219	H41-H215 AromaticContact CE1-CD2 3.65Å; H41-H215 AromaticContact CE1-CE1 3.48Å; H41-H215 PolarHBondContact CE1-CE1 2.91Å; H41-H215 VanDerWaalsContact CE1-CE1 3.48Å; H41-H215 AromaticContact CE1-CG 3.16Å; H41-H215 AromaticContact CE1-ND1 3.05Å; H41-H215 PolarHBondContact CE1-ND1 3.36Å; H41-H215 AromaticContact CE1-NE2 3.81Å; H41-H215 AromaticContact NE2-CD2 3.03Å; H41-H215 PolarHBondContact NE2-CD2 3.09Å; H41-H215 AromaticContact NE2-CE1 3.28Å; H41-H215 PolarHBondContact NE2-CE1 2.75Å; H41-H215 VanDerWaalsContact NE2-CE1 3.28Å; H41-H215 AromaticContact NE2-CG 3.07Å; H41-H215 AromaticContact NE2-ND1 3.25Å; H41-H215 PolarHBondContact NE2-ND1 3.37Å; H41-H215 AromaticContact NE2-NE2 3.16Å; H41-H215 PolarHBondContact NE2-NE2 3.17Å; H41-H215 VanDerWaalsContact NE2-NE2 3.16Å; H86-H215 AromaticContact NE2-NE2 3.77Å; H211-H215 AromaticContact CD2-CD2 3.39Å; H211-H215 PolarHBondContact CD2-CD2 3.29Å; H211-H215 AromaticContact CD2-NE2 3.36Å; H211-H215 PolarHBondContact CD2-NE2 3.22Å; H211-H215 AromaticContact CE1-NE2 3.86Å; H211-H215 AromaticContact NE2-CD2 3.55Å; H211-H215 AromaticContact NE2-NE2 2.97Å; H211-H215 PolarHBondContact NE2-NE2 3.11Å; H211-H215 PolarHBondContact O-CD2 3.44Å; H211-H215 PolarHBondContact O-N 2.74Å; H211-H215 VanDerWaalsContact O-N 3.14Å; A212-H215 PolarHBondContact O-N 3.22Å; I213-H215 VanDerWaalsContact C-N 3.34Å; I213-H215 PolarHBondContact O-N 2.77Å; H215-V218 PolarHBondContact O-N 2.9Å; H215-A219 WeakPolarHBondContact O-CB 3.45Å; H215-A219 PolarHBondContact O-N 3.42Å
216	L	90.7	Very high	89.2	Confident	92 Å²	92	37.8 Å²	37.8	48%	0.482	20%	0.203	S	C	.	.	H	α-helix	trans	-63	-44.8	173.4	-178.8	64.4	0	0	0	111.7	W44 A212 I213 W214 V218 A219 V220	W44-L216 HydrophobicContact CZ2-CD1 4.45Å; A212-L216 PolarHBondContact O-N 3.44Å; I213-L216 WeakPolarHBondContact O-CB 3.25Å; I213-L216 PolarHBondContact O-N 2.97Å; I213-L216 VanDerWaalsContact O-N 3.12Å; W214-L216 VanDerWaalsContact C-N 3.28Å; W214-L216 PolarHBondContact O-N 2.92Å; L216-V218 VanDerWaalsContact C-N 3.33Å; L216-V218 PolarHBondContact O-N 3.3Å; L216-A219 PolarHBondContact O-N 2.76Å; L216-V220 HydrophobicContact CD1-CG2 4.31Å; L216-V220 VanDerWaalsContact O-CG2 3.32Å; L216-V220 WeakPolarHBondContact O-CG2 3.45Å; L216-V220 PolarHBondContact O-N 3.37Å
217	F	94.8	Very high	90	Very high	52 Å²	52	36.1 Å²	36.1	23%	0.228	19%	0.189	C	C	.	.	H	α-helix	trans	-61.7	-40.4	175	-86.3	-80.7	0	0	0	112.2	C193 L196 F200 I213 W214 G221	C193-F217 HydrophobicContact CB-CD1 4.42Å; C193-F217 WeakPolarHBondContact O-CD1 3.1Å; L196-F217 HydrophobicContact CB-CD1 3.98Å; L196-F217 HydrophobicContact CB-CE1 3.75Å; L196-F217 HydrophobicContact CB-CZ 4.37Å; L196-F217 HydrophobicContact CD1-CE1 4.07Å; F200-F217 AromaticContact CD2-CD2 3.81Å; F200-F217 HydrophobicContact CD2-CD2 3.81Å; F200-F217 AromaticContact CD2-CE2 3.6Å; F200-F217 HydrophobicContact CD2-CE2 3.6Å; F200-F217 HydrophobicContact CD2-CZ 4.46Å; F200-F217 AromaticContact CE2-CD2 3.99Å; F200-F217 HydrophobicContact CE2-CD2 3.99Å; F200-F217 AromaticContact CE2-CE2 3.28Å; F200-F217 HydrophobicContact CE2-CE2 3.28Å; F200-F217 AromaticContact CE2-CZ 3.86Å; F200-F217 HydrophobicContact CE2-CZ 3.86Å; F200-F217 HydrophobicContact CZ-CE2 4.15Å; I213-F217 HydrophobicContact CG2-CD2 3.85Å; I213-F217 HydrophobicContact CG2-CE2 3.73Å; I213-F217 WeakPolarHBondContact O-CD2 3.18Å; I213-F217 PolarHBondContact O-N 3.09Å; W214-F217 WeakPolarHBondContact O-CB 3.29Å; W214-F217 PolarHBondContact O-N 3.04Å; W214-F217 VanDerWaalsContact O-N 3.12Å; F217-G221 PolarHBondContact O-N 3.48Å
218	V	93.4	Very high	90.9	Very high	21 Å²	21	33.1 Å²	33.1	13%	0.127	17%	0.171	C	C	.	.	H	α-helix	trans	-63	-44.8	175.5	172.1	0	0	0	0	111	L78 Y194 W214 H215 L216 G221 A222	L78-V218 HydrophobicContact CD2-CG1 4.13Å; Y194-V218 HydrophobicContact CD1-CG2 4.41Å; Y194-V218 HydrophobicContact CE1-CB 4.35Å; Y194-V218 HydrophobicContact CE1-CG1 4.11Å; Y194-V218 WeakPolarHBondContact CE1-O 3.37Å; W214-V218 HydrophobicContact CZ2-CG2 4.39Å; W214-V218 WeakPolarHBondContact O-CG2 3.15Å; W214-V218 PolarHBondContact O-N 3.45Å; H215-V218 PolarHBondContact O-N 2.9Å; L216-V218 VanDerWaalsContact C-N 3.33Å; L216-V218 PolarHBondContact O-N 3.3Å; V218-G221 PolarHBondContact O-N 3.49Å; V218-A222 VanDerWaalsContact O-CB 3.31Å; V218-A222 WeakPolarHBondContact O-CB 3.36Å; V218-A222 PolarHBondContact O-N 2.78Å
219	A	93.6	Very high	91.8	Very high	2 Å²	2	31.3 Å²	31.3	2%	0.017	16%	0.159	C	C	.	.	H	α-helix	trans	-65.3	-43.5	178.9	0	0	0	0	0	112.4	W44 F79 H215 L216 A222 A223	W44-A219 HydrophobicContact CD2-CB 3.91Å; W44-A219 HydrophobicContact CG-CB 4.16Å; W44-A219 HydrophobicContact CZ2-CB 4Å; F79-A219 HydrophobicContact CE1-CB 4.09Å; F79-A219 HydrophobicContact CZ-CB 4.18Å; H215-A219 WeakPolarHBondContact O-CB 3.45Å; H215-A219 PolarHBondContact O-N 3.42Å; L216-A219 PolarHBondContact O-N 2.76Å; A219-A222 PolarHBondContact O-N 2.87Å; A219-A223 WeakPolarHBondContact O-CB 3.45Å; A219-A223 PolarHBondContact O-N 3.34Å
220	V	95.7	Very high	92.7	Very high	56 Å²	56	32.5 Å²	32.5	34%	0.339	16%	0.162	S	C	.	.	H	α-helix	trans	-64	-45.5	175.6	171.6	0	0	0	0	110.8	L216 A222 A223 I224	L216-V220 HydrophobicContact CD1-CG2 4.31Å; L216-V220 VanDerWaalsContact O-CG2 3.32Å; L216-V220 WeakPolarHBondContact O-CG2 3.45Å; L216-V220 PolarHBondContact O-N 3.37Å; V220-A222 VanDerWaalsContact C-N 3.32Å; V220-A222 PolarHBondContact O-N 3.22Å; V220-A223 PolarHBondContact O-N 3.05Å; V220-I224 HydrophobicContact CG1-CD1 3.87Å; V220-I224 HydrophobicContact CG1-CG1 4.49Å; V220-I224 VanDerWaalsContact O-CG1 3.29Å; V220-I224 WeakPolarHBondContact O-CG1 3.24Å; V220-I224 PolarHBondContact O-N 2.94Å
221	G	96.8	Very high	93.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-57.8	-45.2	175.1	0	0	0	0	0	112.1	F217 V218 A223 I224 H225	F217-G221 PolarHBondContact O-N 3.48Å; V218-G221 PolarHBondContact O-N 3.49Å; G221-A223 PolarHBondContact O-N 3.1Å; G221-I224 PolarHBondContact O-N 2.87Å; G221-H225 PolarHBondContact O-N 3.46Å
222	A	96.4	Very high	93.8	Very high	2 Å²	2	36.3 Å²	36.3	2%	0.017	18%	0.178	C	C	.	.	H	α-helix	trans	-65	-38.6	177.7	0	0	0	0	0	112.3	Y71 L75 F113 Y194 V218 A219 V220 H225 Y226	Y71-A222 PolarHBondContact OH-O 3.28Å; L75-A222 HydrophobicContact CD1-CB 3.87Å; F113-A222 HydrophobicContact CE1-CB 4.4Å; F113-A222 HydrophobicContact CZ-CB 3.91Å; Y194-A222 WeakPolarHBondContact OH-CA 3.42Å; Y194-A222 WeakPolarHBondContact OH-CB 3.16Å; Y194-A222 PolarHBondContact OH-N 3.41Å; Y194-A222 VanDerWaalsContact OH-N 3.07Å; V218-A222 VanDerWaalsContact O-CB 3.31Å; V218-A222 WeakPolarHBondContact O-CB 3.36Å; V218-A222 PolarHBondContact O-N 2.78Å; A219-A222 PolarHBondContact O-N 2.87Å; V220-A222 VanDerWaalsContact C-N 3.32Å; V220-A222 PolarHBondContact O-N 3.22Å; A222-H225 PolarHBondContact O-N 3.35Å; A222-Y226 VanDerWaalsContact O-CB 3.25Å; A222-Y226 WeakPolarHBondContact O-CB 3.34Å; A222-Y226 PolarHBondContact O-N 2.91Å
223	A	96.4	Very high	94.3	Very high	47 Å²	47	36.7 Å²	36.7	39%	0.388	18%	0.178	S	C	.	.	H	α-helix	trans	-65.4	-40.5	176	0	0	0	0	0	112.1	A219 V220 G221 Y226 Y227	A219-A223 WeakPolarHBondContact O-CB 3.45Å; A219-A223 PolarHBondContact O-N 3.34Å; V220-A223 PolarHBondContact O-N 3.05Å; G221-A223 PolarHBondContact O-N 3.1Å; A223-Y226 PolarHBondContact O-N 2.95Å; A223-Y227 WeakPolarHBondContact O-CB 3.46Å; A223-Y227 PolarHBondContact O-N 3.26Å
224	I	97.7	Very high	94.4	Very high	38 Å²	38	34.3 Å²	34.3	20%	0.195	17%	0.165	C	C	.	.	H	α-helix	trans	-66.7	-44.4	176.3	-64.9	167.9	0	0	0	110.5	E186 V189 V220 G221 Y227 A228	E186-I224 HydrophobicContact CB-CG2 4Å; E186-I224 WeakPolarHBondContact O-CG2 3.48Å; V189-I224 HydrophobicContact CG1-CD1 3.96Å; V220-I224 HydrophobicContact CG1-CD1 3.87Å; V220-I224 HydrophobicContact CG1-CG1 4.49Å; V220-I224 VanDerWaalsContact O-CG1 3.29Å; V220-I224 WeakPolarHBondContact O-CG1 3.24Å; V220-I224 PolarHBondContact O-N 2.94Å; G221-I224 PolarHBondContact O-N 2.87Å; I224-Y227 PolarHBondContact O-N 2.9Å; I224-A228 PolarHBondContact O-N 3.15Å
225	H	97.2	Very high	94	Very high	19 Å²	19	35.3 Å²	35.3	9%	0.088	18%	0.179	C	C	.	.	H	α-helix	trans	-62.8	-42.2	175.5	-80.1	-152	0	0	0	111.8	L187 G191 Y194 G221 A222 A228 I229	L187-H225 PolarHBondContact O-NE2 2.92Å; G191-H225 PolarHBondContact N-NE2 3.24Å; Y194-H225 AromaticContact CE2-CE1 3.8Å; Y194-H225 AromaticContact CE2-ND1 3.92Å; G221-H225 PolarHBondContact O-N 3.46Å; A222-H225 PolarHBondContact O-N 3.35Å; H225-A228 PolarHBondContact O-N 2.9Å; H225-I229 WeakPolarHBondContact O-CD1 3.25Å; H225-I229 WeakPolarHBondContact O-CG1 3.21Å; H225-I229 PolarHBondContact O-N 3.03Å
226	Y	97.3	Very high	93	Very high	35 Å²	35	39.6 Å²	39.6	14%	0.137	20%	0.2	C	C	.	.	H	α-helix	trans	-57.5	-49.4	172.8	176.2	-82.8	0	0	0	111.1	G51 L55 Y71 L75 A222 A223 A228 I229 W230	G51-Y226 VanDerWaalsContact C-CE2 3.48Å; G51-Y226 VanDerWaalsContact CA-CE2 3.41Å; G51-Y226 VanDerWaalsContact CA-CZ 3.43Å; G51-Y226 WeakPolarHBondContact CA-OH 3.12Å; G51-Y226 WeakPolarHBondContact O-CE2 3.29Å; G51-Y226 PolarHBondContact O-OH 3.39Å; L55-Y226 HydrophobicContact CD1-CD2 4.27Å; L55-Y226 HydrophobicContact CD1-CE2 3.67Å; L55-Y226 HydrophobicContact CG-CE2 3.87Å; Y71-Y226 AromaticContact CE1-CD2 3.68Å; Y71-Y226 HydrophobicContact CE1-CD2 3.68Å; Y71-Y226 HydrophobicContact CE1-CE2 4.47Å; Y71-Y226 HydrophobicContact CE1-CG 4.4Å; Y71-Y226 VanDerWaalsContact OH-CA 3.27Å; Y71-Y226 WeakPolarHBondContact OH-CA 3.36Å; Y71-Y226 WeakPolarHBondContact OH-CB 3.46Å; Y71-Y226 PolarHBondContact OH-N 3.43Å; L75-Y226 HydrophobicContact CD2-CD2 3.97Å; A222-Y226 VanDerWaalsContact O-CB 3.25Å; A222-Y226 WeakPolarHBondContact O-CB 3.34Å; A222-Y226 PolarHBondContact O-N 2.91Å; A223-Y226 PolarHBondContact O-N 2.95Å; Y226-A228 VanDerWaalsContact C-N 3.29Å; Y226-A228 PolarHBondContact O-N 3.45Å; Y226-I229 PolarHBondContact O-N 3.32Å; Y226-W230 HydrophobicContact CE1-CB 4.02Å; Y226-W230 HydrophobicContact CE1-CG 4.46Å; Y226-W230 WeakPolarHBondContact O-CB 2.95Å; Y226-W230 PolarHBondContact O-N 3.29Å
227	Y	96.8	Very high	90.9	Very high	97 Å²	97	39.1 Å²	39.1	38%	0.38	20%	0.201	S	C	.	.	H	α-helix	trans	-59.1	-42.2	178.8	173.1	-99.3	0	0	0	111.6	E186 A223 I224 W230 K231	E186-Y227 HydrophobicContact CG-CD1 4.13Å; E186-Y227 HydrophobicContact CG-CE1 4.28Å; A223-Y227 WeakPolarHBondContact O-CB 3.46Å; A223-Y227 PolarHBondContact O-N 3.26Å; I224-Y227 PolarHBondContact O-N 2.9Å; Y227-W230 HydrophobicContact CD2-CE3 4.08Å; Y227-W230 HydrophobicContact CD2-CZ3 4.2Å; Y227-W230 HydrophobicContact CE2-CE3 4.34Å; Y227-W230 HydrophobicContact CE2-CZ3 4.07Å; Y227-W230 PolarHBondContact O-N 3.34Å; Y227-K231 HydrophobicContact CE1-CD 3.75Å; Y227-K231 HydrophobicContact CE2-CD 4.1Å; Y227-K231 VanDerWaalsContact CZ-CD 3.41Å; Y227-K231 WeakPolarHBondContact O-CB 3.38Å; Y227-K231 PolarHBondContact O-N 3.38Å; Y227-K231 WeakPolarHBondContact OH-CD 3.45Å; Y227-K231 PolarHBondContact OH-NZ 2.99Å
228	A	96.1	Very high	88.5	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-61.3	-47.3	176.9	0	0	0	0	0	111.6	W121 E186 I224 H225 Y226 Y232	W121-A228 HydrophobicContact CH2-CB 4.38Å; W121-A228 HydrophobicContact CZ2-CB 3.82Å; E186-A228 HydrophobicContact CB-CB 3.66Å; E186-A228 HydrophobicContact CG-CB 4.42Å; I224-A228 PolarHBondContact O-N 3.15Å; H225-A228 PolarHBondContact O-N 2.9Å; Y226-A228 VanDerWaalsContact C-N 3.29Å; Y226-A228 PolarHBondContact O-N 3.45Å; A228-Y232 HydrophobicContact CB-CD2 4.39Å; A228-Y232 WeakPolarHBondContact O-CB 3.34Å; A228-Y232 VanDerWaalsContact O-CD2 3.26Å; A228-Y232 WeakPolarHBondContact O-CD2 3.24Å; A228-Y232 PolarHBondContact O-N 2.91Å
229	I	95.8	Very high	86.1	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-60.5	-53	177.4	-70	160.3	0	0	0	110.2	L55 Y71 P120 W121 H225 Y226 K231 L233 Y234	L55-I229 HydrophobicContact CD1-CG2 4.28Å; L55-I229 HydrophobicContact CD2-CG2 4.26Å; Y71-I229 HydrophobicContact CD1-CD1 3.96Å; Y71-I229 HydrophobicContact CD2-CD1 4.02Å; Y71-I229 HydrophobicContact CE1-CD1 3.62Å; Y71-I229 HydrophobicContact CE2-CD1 3.73Å; Y71-I229 HydrophobicContact CG-CD1 4.14Å; P120-I229 HydrophobicContact CB-CD1 4.43Å; P120-I229 HydrophobicContact CB-CG1 4.26Å; P120-I229 HydrophobicContact CB-CG2 3.94Å; P120-I229 HydrophobicContact CG-CD1 4.05Å; P120-I229 HydrophobicContact CG-CG1 4.41Å; P120-I229 HydrophobicContact CG-CG2 4.17Å; W121-I229 HydrophobicContact CZ2-CG1 4.27Å; H225-I229 WeakPolarHBondContact O-CD1 3.25Å; H225-I229 WeakPolarHBondContact O-CG1 3.21Å; H225-I229 PolarHBondContact O-N 3.03Å; Y226-I229 PolarHBondContact O-N 3.32Å; I229-K231 PolarHBondContact O-N 2.99Å; I229-L233 HydrophobicContact CG1-CD1 4.36Å; I229-L233 HydrophobicContact CG2-CD1 4.32Å; I229-L233 WeakPolarHBondContact O-CA 3.22Å; I229-L233 VanDerWaalsContact O-CB 3.25Å; I229-L233 WeakPolarHBondContact O-CB 3.42Å; I229-L233 PolarHBondContact O-N 3.41Å; I229-Y234 HydrophobicContact CG2-CD2 4.01Å; I229-Y234 HydrophobicContact CG2-CE2 3.71Å; I229-Y234 PolarHBondContact O-N 2.73Å
230	W	95.8	Very high	83.5	Confident	84 Å²	84	61.2 Å²	61.2	32%	0.318	30%	0.302	S	S	.	.	I	π-helix	trans	-59	-49	-178.6	171.2	67.3	0	0	0	111.9	L55 Y226 Y227 Y234 A235	L55-W230 HydrophobicContact CD2-CB 3.96Å; Y226-W230 HydrophobicContact CE1-CB 4.02Å; Y226-W230 HydrophobicContact CE1-CG 4.46Å; Y226-W230 WeakPolarHBondContact O-CB 2.95Å; Y226-W230 PolarHBondContact O-N 3.29Å; Y227-W230 HydrophobicContact CD2-CE3 4.08Å; Y227-W230 HydrophobicContact CD2-CZ3 4.2Å; Y227-W230 HydrophobicContact CE2-CE3 4.34Å; Y227-W230 HydrophobicContact CE2-CZ3 4.07Å; Y227-W230 PolarHBondContact O-N 3.34Å; W230-Y234 PolarHBondContact O-N 3.14Å; W230-A235 WeakPolarHBondContact O-CB 3.38Å; W230-A235 PolarHBondContact O-N 2.81Å
231	K	94.7	Very high	81	Confident	71 Å²	71	64.7 Å²	64.7	31%	0.309	32%	0.323	S	S	.	.	I	π-helix	trans	-73.3	-40.9	-174.5	179.8	174	174	-163	0	113.9	Y227 I229	Y227-K231 HydrophobicContact CE1-CD 3.75Å; Y227-K231 HydrophobicContact CE2-CD 4.1Å; Y227-K231 VanDerWaalsContact CZ-CD 3.41Å; Y227-K231 WeakPolarHBondContact O-CB 3.38Å; Y227-K231 PolarHBondContact O-N 3.38Å; Y227-K231 WeakPolarHBondContact OH-CD 3.45Å; Y227-K231 PolarHBondContact OH-NZ 2.99Å; I229-K231 PolarHBondContact O-N 2.99Å
232	Y	92.9	Very high	78.1	Confident	34 Å²	34	73.8 Å²	73.8	13%	0.133	37%	0.366	C	S	.	.	I	π-helix	trans	-100.6	-17.1	-169.9	-61.7	-73.7	0	0	0	113.6	E186 A228	E186-Y232 HydrophobicContact CG-CE2 4.31Å; E186-Y232 PolarHBondContact OE1-OH 3.3Å; A228-Y232 HydrophobicContact CB-CD2 4.39Å; A228-Y232 WeakPolarHBondContact O-CB 3.34Å; A228-Y232 VanDerWaalsContact O-CD2 3.26Å; A228-Y232 WeakPolarHBondContact O-CD2 3.24Å; A228-Y232 PolarHBondContact O-N 2.91Å
233	L	92.3	Very high	75.5	Confident	19 Å²	19	80.5 Å²	80.5	10%	0.099	41%	0.407	C	S	.	.	I	π-helix	trans	-113.8	-22	179.5	-52.2	179.3	0	0	0	114.2	P120 W121 L124 I229	P120-L233 HydrophobicContact CB-CD1 3.73Å; W121-L233 HydrophobicContact CD2-CD1 3.95Å; W121-L233 HydrophobicContact CE3-CD1 4.15Å; W121-L233 HydrophobicContact CE3-CD2 4.14Å; W121-L233 HydrophobicContact CE3-CG 4.49Å; W121-L233 HydrophobicContact CG-CD1 4.32Å; W121-L233 HydrophobicContact CH2-CG 4.46Å; W121-L233 HydrophobicContact CZ2-CD1 4.41Å; W121-L233 HydrophobicContact CZ3-CD1 4.47Å; W121-L233 HydrophobicContact CZ3-CD2 4.04Å; W121-L233 HydrophobicContact CZ3-CG 4.38Å; L124-L233 HydrophobicContact CD1-CB 4.07Å; L124-L233 HydrophobicContact CD1-CD1 4.43Å; I229-L233 HydrophobicContact CG1-CD1 4.36Å; I229-L233 HydrophobicContact CG2-CD1 4.32Å; I229-L233 WeakPolarHBondContact O-CA 3.22Å; I229-L233 VanDerWaalsContact O-CB 3.25Å; I229-L233 WeakPolarHBondContact O-CB 3.42Å; I229-L233 PolarHBondContact O-N 3.41Å
234	Y	90.8	Very high	72.7	Confident	6 Å²	6	83.1 Å²	83.1	2%	0.024	42%	0.422	C	S	.	.	I	π-helix	trans	-118.8	-45.5	-177.9	-70.8	-105.3	0	0	0	112.9	L55 E58 E64 A68 L124 I229 W230 Q236	L55-Y234 HydrophobicContact CB-CE1 4.3Å; L55-Y234 HydrophobicContact CD2-CD1 4.22Å; L55-Y234 HydrophobicContact CD2-CD2 3.66Å; L55-Y234 HydrophobicContact CD2-CE1 4.42Å; L55-Y234 HydrophobicContact CD2-CE2 3.92Å; L55-Y234 HydrophobicContact CD2-CG 3.84Å; L55-Y234 VanDerWaalsContact O-CE1 3.31Å; L55-Y234 WeakPolarHBondContact O-CE1 3.24Å; E58-Y234 HydrophobicContact CB-CD1 4.23Å; E64-Y234 HydrophobicContact CB-CE1 3.96Å; E64-Y234 PolarHBondContact O-OH 3.08Å; A68-Y234 WeakPolarHBondContact CA-OH 3.3Å; A68-Y234 HydrophobicContact CB-CE1 4.15Å; A68-Y234 WeakPolarHBondContact CB-OH 3.11Å; A68-Y234 PolarHBondContact N-OH 2.91Å; L124-Y234 HydrophobicContact CD1-CE2 3.81Å; I229-Y234 HydrophobicContact CG2-CD2 4.01Å; I229-Y234 HydrophobicContact CG2-CE2 3.71Å; I229-Y234 PolarHBondContact O-N 2.73Å; W230-Y234 PolarHBondContact O-N 3.14Å; Y234-Q236 PolarHBondContact O-N 2.88Å; Y234-Q236 VanDerWaalsContact O-N 3.08Å
235	A	81.4	Confident	69.9	Low	49 Å²	49	96.9 Å²	96.9	41%	0.405	47%	0.472	S	S	.	.	S	Bend	trans	-74	1.8	-176.4	0	0	0	0	0	114	W230 T237	W230-A235 WeakPolarHBondContact O-CB 3.38Å; W230-A235 PolarHBondContact O-N 2.81Å; A235-T237 PolarHBondContact O-N 3.41Å
236	Q	65.5	Low	68.5	Low	107 Å²	107	100.8 Å²	100.8	50%	0.5	49%	0.491	S	S	.	.			trans	-88.4	72.6	177.6	-67	-155.9	-15	0	0	111.9	Y234	Y234-Q236 PolarHBondContact O-N 2.88Å; Y234-Q236 VanDerWaalsContact O-N 3.08Å
237	T	47.9	Very low	67	Low	82 Å²	82	104.3 Å²	104.3	50%	0.503	51%	0.51	S	S	.	.			trans	-137.4	118.4	159.1	-37	0	0	0	0	108.9	A235	A235-T237 PolarHBondContact O-N 3.41Å
238	P	44.1	Very low	65.3	Low	112 Å²	112	104.7 Å²	104.7	73%	0.727	52%	0.517	S	S	*	.	S	Bend		-135.4	133	84.3	30.2	-13.3	0	0	0	114.7
239	R	44.1	Very low	63.5	Low	239 Å²	239	110.8 Å²	110.8	90%	0.902	55%	0.547	S	S	*	.			trans	35.9	92	151.4	-80	-174.8	-101.8	175.7	-8.6	116.2
240	Q	38	Very low	61.5	Low	187 Å²	187	117.7 Å²	117.7	87%	0.874	58%	0.581	S	S	*	*			trans	-125.7	26.8	163.3	-84.7	-109	-37.2	0	0	113.6
241	V	42.2	Very low	59.2	Low	130 Å²	130	119.9 Å²	119.9	79%	0.788	60%	0.599	S	S	*	*	S	Bend	trans	-149.2	68.5	163.3	-164.6	0	0	0	0	112.1
242	Q	37.9	Very low	56.7	Low	191 Å²	191	123.4 Å²	123.4	89%	0.893	62%	0.619	S	S	*	*	S	Bend	trans	-152.9	41	146.6	-156.2	140.1	14.2	0	0	112.4
243	T	41.2	Very low	53.9	Low	143 Å²	143	130.3 Å²	130.3	88%	0.877	66%	0.657	S	S	*	*			trans	-143.1	67.7	162.1	54.1	0	0	0	0	108.9
244	S	36.5	Very low	50.7	Low	101 Å²	101	139.6 Å²	139.6	71%	0.706	70%	0.703	S	S	*	*			trans	-150.5	87.2	157.8	60.9	0	0	0	0	110.2
245	R	38.7	Very low	47	Very low	328 Å²	328	151.7 Å²	151.7	100%	1.238	77%	0.765	S	S	*	*			trans	65.8	0	155.9	-64.8	-177.3	179	177.8	-0.2	118.7

Retrieved 245 of 245 residues in 78.1 ms (Link to these results)

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