A0A077ZEB9_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZEB9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 232 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.4	Very low	33.2	Very low	221 Å²	221	150.5 Å²	150.5	100%	1.089	78%	0.776	S	S	*	*				0	102	0	-77.6	174.9	179.5	0	0	107.8
2	A	20.7	Very low	34.3	Very low	100 Å²	100	146.4 Å²	146.4	83%	0.826	76%	0.756	S	S	*	*			trans	-86	113.8	176.2	0	0	0	0	0	108
3	W	30.4	Very low	35.3	Very low	221 Å²	221	152.8 Å²	152.8	84%	0.837	76%	0.764	S	S	*	*			trans	-92.8	109.9	171.9	-70.4	89.9	0	0	0	107.8	Y5	W3-Y5 PolarHBondContact O-N 2.92Å
4	V	26.4	Very low	36.4	Very low	121 Å²	121	148.8 Å²	148.8	73%	0.733	77%	0.767	S	S	*	*			trans	-65.7	123.3	177.9	174.3	0	0	0	0	108.6	L6	V4-L6 PolarHBondContact O-N 3.14Å; V4-L6 VanDerWaalsContact O-N 3.12Å
5	Y	27.5	Very low	37.3	Very low	167 Å²	167	142.1 Å²	142.1	66%	0.655	73%	0.731	S	S	*	*			trans	-60	107.6	166.4	-99.3	-100.4	0	0	0	108.5	W3	W3-Y5 PolarHBondContact O-N 2.92Å
6	L	27.3	Very low	38.5	Very low	144 Å²	144	136.4 Å²	136.4	75%	0.754	71%	0.708	S	S	*	*			trans	-85.1	121.7	161.2	-101	101	0	0	0	108.4	V4 L8	V4-L6 PolarHBondContact O-N 3.14Å; V4-L6 VanDerWaalsContact O-N 3.12Å; L6-L8 PolarHBondContact O-N 3.43Å
7	P	30.6	Very low	39.8	Very low	113 Å²	113	136.5 Å²	136.5	73%	0.734	71%	0.708	S	S	*	*			trans	-71.7	120.5	173.8	29.3	-29.8	0	0	0	108.8	D9	P7-D9 PolarHBondContact O-N 3.14Å; P7-D9 VanDerWaalsContact O-N 3.17Å
8	L	41.9	Very low	40.9	Very low	147 Å²	147	134.6 Å²	134.6	77%	0.77	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	1.4	-174.6	-141.7	86.3	0	0	0	113.9	L6 L12	L6-L8 PolarHBondContact O-N 3.43Å; L8-L12 WeakPolarHBondContact O-CD1 3.46Å
9	D	42.8	Very low	41.9	Very low	120 Å²	120	131.9 Å²	131.9	64%	0.642	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.1	-27.1	-155.5	-136.6	-19.5	0	0	0	114.5	P7	P7-D9 PolarHBondContact O-N 3.14Å; P7-D9 VanDerWaalsContact O-N 3.17Å
10	E	43.4	Very low	42.7	Very low	171 Å²	171	129.2 Å²	129.2	80%	0.799	68%	0.675	S	S	*	*	G	3₁₀ helix	trans	-86.4	-24.8	-173.3	-70.9	-175.2	163.2	0	0	114.1	L12	E10-L12 PolarHBondContact O-N 3.12Å
11	N	44.5	Very low	43.5	Very low	131 Å²	131	128.5 Å²	128.5	70%	0.701	67%	0.669	S	S	*	*	G	3₁₀ helix	trans	-84.4	-3.2	-179.8	-75.5	-30.4	0	0	0	114.4	M15	N11-M15 WeakPolarHBondContact O-CE 3.41Å
12	L	47.3	Very low	45	Very low	101 Å²	101	123.7 Å²	123.7	53%	0.529	64%	0.643	S	S	.	*	G	3₁₀ helix	trans	-81.9	-21.7	177.9	-103.6	101.9	0	0	0	113.7	L8 E10	L8-L12 WeakPolarHBondContact O-CD1 3.46Å; E10-L12 PolarHBondContact O-N 3.12Å
13	R	46.4	Very low	46.7	Very low	229 Å²	229	124 Å²	124	86%	0.864	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	-16.5	-175.1	-66.4	-173	-154.8	-158.8	5.1	114.7
14	A	51.1	Low	48.1	Very low	97 Å²	97	117.6 Å²	117.6	80%	0.802	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.4	8.3	178.9	0	0	0	0	0	113.4
15	M	49.5	Very low	49.8	Very low	48 Å²	48	118.5 Å²	118.5	24%	0.236	60%	0.602	C	S	.	*			trans	-90.5	122.4	-167.6	-157.6	154.5	-77.1	0	0	111.1	N11 D19 I20 K23	N11-M15 WeakPolarHBondContact O-CE 3.41Å; M15-D19 HydrophobicContact CG-CB 3.32Å; M15-D19 HydrophobicContact SD-CB 4.17Å; M15-I20 HydrophobicContact CB-CG1 4.41Å; M15-I20 HydrophobicContact CG-CG1 4.39Å; M15-K23 HydrophobicContact SD-CD 3.59Å; M15-K23 VanDerWaalsContact SD-CD 3.59Å; M15-K23 WeakPolarHBondContact SD-CE 3.31Å; M15-K23 PolarHBondContact SD-NZ 3.26Å
16	S	57.6	Low	51.5	Low	51 Å²	51	115.2 Å²	115.2	36%	0.357	59%	0.594	S	S	.	*			trans	-56	148.8	178.5	73.4	0	0	0	0	111.6	T18 D19 I20	S16-T18 PolarHBondContact O-N 3.01Å; S16-T18 VanDerWaalsContact O-N 3.08Å; S16-T18 PolarHBondContact OG-OG1 3.25Å; S16-D19 WeakPolarHBondContact O-CB 3.46Å; S16-D19 PolarHBondContact O-N 3.44Å; S16-D19 PolarHBondContact OG-N 2.87Å; S16-D19 PolarHBondContact OG-OD2 3.33Å; S16-I20 PolarHBondContact O-N 3.08Å; S16-I20 VanDerWaalsContact O-N 3.14Å
17	I	60.8	Low	52.9	Low	139 Å²	139	113.3 Å²	113.3	71%	0.713	58%	0.584	S	S	*	*	H	α-helix	trans	-53.4	-33.8	178.5	-66.6	170.7	0	0	0	111	I20 E21	I17-I20 PolarHBondContact O-N 2.85Å; I17-E21 PolarHBondContact O-N 2.94Å; I17-E21 VanDerWaalsContact O-N 3.15Å
18	T	59.6	Low	54.1	Low	102 Å²	102	114.3 Å²	114.3	63%	0.626	58%	0.577	S	S	*	*	H	α-helix	trans	-67.2	-35.6	175.5	42.9	0	0	0	0	113.7	S16 H22	S16-T18 PolarHBondContact O-N 3.01Å; S16-T18 VanDerWaalsContact O-N 3.08Å; S16-T18 PolarHBondContact OG-OG1 3.25Å; T18-H22 PolarHBondContact O-N 2.98Å; T18-H22 VanDerWaalsContact O-N 3.12Å
19	D	59.2	Low	55.1	Low	83 Å²	83	112.7 Å²	112.7	44%	0.444	57%	0.568	S	S	.	*	H	α-helix	trans	-72.8	-32.9	175.1	-78.5	-48.4	0	0	0	112.4	M15 S16 H22 K23	M15-D19 HydrophobicContact CG-CB 3.32Å; M15-D19 HydrophobicContact SD-CB 4.17Å; S16-D19 WeakPolarHBondContact O-CB 3.46Å; S16-D19 PolarHBondContact O-N 3.44Å; S16-D19 PolarHBondContact OG-N 2.87Å; S16-D19 PolarHBondContact OG-OD2 3.33Å; D19-H22 PolarHBondContact O-N 3.44Å; D19-K23 WeakPolarHBondContact O-CB 3.18Å; D19-K23 WeakPolarHBondContact O-CG 3.18Å; D19-K23 PolarHBondContact O-N 3.17Å
20	I	58.2	Low	56.1	Low	78 Å²	78	110 Å²	110	40%	0.4	56%	0.559	S	S	.	*	H	α-helix	trans	-65.3	-45.4	175.5	-62.8	172.7	0	0	0	109.9	M15 S16 I17 H22 K23 I24	M15-I20 HydrophobicContact CB-CG1 4.41Å; M15-I20 HydrophobicContact CG-CG1 4.39Å; S16-I20 PolarHBondContact O-N 3.08Å; S16-I20 VanDerWaalsContact O-N 3.14Å; I17-I20 PolarHBondContact O-N 2.85Å; I20-H22 VanDerWaalsContact C-N 3.32Å; I20-H22 PolarHBondContact O-N 2.84Å; I20-K23 PolarHBondContact O-N 2.99Å; I20-I24 HydrophobicContact CG2-CD1 3.83Å; I20-I24 HydrophobicContact CG2-CG1 4.46Å; I20-I24 VanDerWaalsContact O-CG1 3.26Å; I20-I24 WeakPolarHBondContact O-CG1 3.47Å; I20-I24 PolarHBondContact O-N 2.79Å
21	E	59	Low	56.8	Low	115 Å²	115	105 Å²	105	54%	0.537	54%	0.536	S	S	.	.	H	α-helix	trans	-61.2	-41.1	174.4	-74.7	-166	164.3	0	0	112.3	I17 I24 K25	I17-E21 PolarHBondContact O-N 2.94Å; I17-E21 VanDerWaalsContact O-N 3.15Å; E21-I24 PolarHBondContact O-N 3.38Å; E21-K25 WeakPolarHBondContact O-CB 3.37Å; E21-K25 WeakPolarHBondContact O-CG 3.34Å; E21-K25 PolarHBondContact O-N 2.7Å
22	H	60.2	Low	57.6	Low	119 Å²	119	102.5 Å²	102.5	55%	0.551	53%	0.525	S	S	*	.	H	α-helix	trans	-66.9	-39.5	179	-149.5	-41.8	0	0	0	111.8	T18 D19 I20 K25 I26	T18-H22 PolarHBondContact O-N 2.98Å; T18-H22 VanDerWaalsContact O-N 3.12Å; D19-H22 PolarHBondContact O-N 3.44Å; I20-H22 VanDerWaalsContact C-N 3.32Å; I20-H22 PolarHBondContact O-N 2.84Å; H22-K25 PolarHBondContact O-N 2.94Å; H22-I26 WeakPolarHBondContact O-CD1 3.3Å; H22-I26 VanDerWaalsContact O-CG1 3.23Å; H22-I26 WeakPolarHBondContact O-CG1 3.44Å; H22-I26 PolarHBondContact O-N 3.3Å
23	K	56.6	Low	58.5	Low	107 Å²	107	102.5 Å²	102.5	47%	0.465	53%	0.525	S	S	.	.	H	α-helix	trans	-65.7	-41	173.3	-79.4	-171.1	175	-174.8	0	112.4	M15 D19 I20 K25 I26 L27	M15-K23 HydrophobicContact SD-CD 3.59Å; M15-K23 VanDerWaalsContact SD-CD 3.59Å; M15-K23 WeakPolarHBondContact SD-CE 3.31Å; M15-K23 PolarHBondContact SD-NZ 3.26Å; D19-K23 WeakPolarHBondContact O-CB 3.18Å; D19-K23 WeakPolarHBondContact O-CG 3.18Å; D19-K23 PolarHBondContact O-N 3.17Å; I20-K23 PolarHBondContact O-N 2.99Å; K23-K25 VanDerWaalsContact C-N 3.34Å; K23-K25 PolarHBondContact O-N 3.2Å; K23-I26 PolarHBondContact O-N 3.1Å; K23-L27 WeakPolarHBondContact O-CB 3.19Å; K23-L27 PolarHBondContact O-N 3.49Å
24	I	60.5	Low	59.3	Low	87 Å²	87	93 Å²	93	45%	0.446	49%	0.49	S	S	.	.	H	α-helix	trans	-63.4	-41.5	175.5	-69.6	167.2	0	0	0	110.6	I20 E21 L27 K28	I20-I24 HydrophobicContact CG2-CD1 3.83Å; I20-I24 HydrophobicContact CG2-CG1 4.46Å; I20-I24 VanDerWaalsContact O-CG1 3.26Å; I20-I24 WeakPolarHBondContact O-CG1 3.47Å; I20-I24 PolarHBondContact O-N 2.79Å; E21-I24 PolarHBondContact O-N 3.38Å; I24-L27 PolarHBondContact O-N 3.27Å; I24-K28 HydrophobicContact CG2-CD 4.37Å; I24-K28 WeakPolarHBondContact O-CB 2.91Å; I24-K28 WeakPolarHBondContact O-CG 3.26Å; I24-K28 PolarHBondContact O-N 3.45Å
25	K	61.3	Low	59.7	Low	140 Å²	140	91.7 Å²	91.7	61%	0.609	47%	0.474	S	S	*	.	H	α-helix	trans	-62.3	-44.9	174.7	-78.9	177.7	-179.9	170.2	0	111.8	E21 H22 K23 L27 K28 L29	E21-K25 WeakPolarHBondContact O-CB 3.37Å; E21-K25 WeakPolarHBondContact O-CG 3.34Å; E21-K25 PolarHBondContact O-N 2.7Å; H22-K25 PolarHBondContact O-N 2.94Å; K23-K25 VanDerWaalsContact C-N 3.34Å; K23-K25 PolarHBondContact O-N 3.2Å; K25-L27 VanDerWaalsContact C-N 3.35Å; K25-K28 PolarHBondContact O-N 3.19Å; K25-L29 WeakPolarHBondContact O-CB 3.28Å; K25-L29 PolarHBondContact O-N 2.79Å
26	I	64.9	Low	60.3	Low	97 Å²	97	94.4 Å²	94.4	50%	0.497	49%	0.488	S	S	.	.	H	α-helix	trans	-62.8	-42.4	176.5	-69.4	164.7	0	0	0	110.8	H22 K23 L29 S30	H22-I26 WeakPolarHBondContact O-CD1 3.3Å; H22-I26 VanDerWaalsContact O-CG1 3.23Å; H22-I26 WeakPolarHBondContact O-CG1 3.44Å; H22-I26 PolarHBondContact O-N 3.3Å; K23-I26 PolarHBondContact O-N 3.1Å; I26-L29 PolarHBondContact O-N 3.03Å; I26-S30 PolarHBondContact O-N 2.57Å
27	L	55	Low	60.8	Low	105 Å²	105	94.8 Å²	94.8	55%	0.55	48%	0.482	S	S	.	.	H	α-helix	trans	-63.2	-48.2	179.1	-145.2	99.5	0	0	0	110.8	K23 I24 K25 L29 S30 Q31	K23-L27 WeakPolarHBondContact O-CB 3.19Å; K23-L27 PolarHBondContact O-N 3.49Å; I24-L27 PolarHBondContact O-N 3.27Å; K25-L27 VanDerWaalsContact C-N 3.35Å; L27-L29 VanDerWaalsContact C-N 3.34Å; L27-L29 PolarHBondContact O-N 3.21Å; L27-S30 PolarHBondContact O-N 2.94Å; L27-S30 PolarHBondContact O-OG 3.11Å; L27-Q31 WeakPolarHBondContact O-CG 3.45Å; L27-Q31 PolarHBondContact O-N 3.44Å
28	K	56.4	Low	61	Low	134 Å²	134	88.8 Å²	88.8	58%	0.583	45%	0.451	S	S	*	.	H	α-helix	trans	-58.8	-45	174.9	-76.4	-175.5	177.8	-176.8	0	111.3	I24 K25 S30 Q31 T32	I24-K28 HydrophobicContact CG2-CD 4.37Å; I24-K28 WeakPolarHBondContact O-CB 2.91Å; I24-K28 WeakPolarHBondContact O-CG 3.26Å; I24-K28 PolarHBondContact O-N 3.45Å; K25-K28 PolarHBondContact O-N 3.19Å; K28-S30 VanDerWaalsContact C-N 3.32Å; K28-S30 PolarHBondContact O-N 3.4Å; K28-Q31 WeakPolarHBondContact O-CB 3.34Å; K28-Q31 PolarHBondContact O-N 3.27Å; K28-T32 PolarHBondContact O-N 2.87Å; K28-T32 PolarHBondContact O-OG1 3.48Å
29	L	64.1	Low	61.3	Low	112 Å²	112	88.6 Å²	88.6	59%	0.586	45%	0.445	S	S	*	.	H	α-helix	trans	-59.6	-43.1	177.2	-164	80.3	0	0	0	111.4	K25 I26 L27 Q31 T32 I33	K25-L29 WeakPolarHBondContact O-CB 3.28Å; K25-L29 PolarHBondContact O-N 2.79Å; I26-L29 PolarHBondContact O-N 3.03Å; L27-L29 VanDerWaalsContact C-N 3.34Å; L27-L29 PolarHBondContact O-N 3.21Å; L29-Q31 VanDerWaalsContact C-N 3.33Å; L29-Q31 PolarHBondContact O-N 3.43Å; L29-T32 PolarHBondContact O-N 3.02Å; L29-I33 HydrophobicContact CD2-CD1 4.35Å; L29-I33 HydrophobicContact CG-CD1 4.07Å; L29-I33 VanDerWaalsContact O-CG1 3.24Å; L29-I33 WeakPolarHBondContact O-CG1 3.44Å; L29-I33 PolarHBondContact O-N 3.11Å
30	S	61.9	Low	61.6	Low	63 Å²	63	87.6 Å²	87.6	44%	0.441	44%	0.444	S	S	.	.	H	α-helix	trans	-63.8	-38	177.5	84	0	0	0	0	112.3	I26 L27 K28 I33 F34	I26-S30 PolarHBondContact O-N 2.57Å; L27-S30 PolarHBondContact O-N 2.94Å; L27-S30 PolarHBondContact O-OG 3.11Å; K28-S30 VanDerWaalsContact C-N 3.32Å; K28-S30 PolarHBondContact O-N 3.4Å; S30-I33 PolarHBondContact O-N 2.92Å; S30-F34 WeakPolarHBondContact O-CB 3.12Å; S30-F34 PolarHBondContact O-N 3.01Å
31	Q	59.2	Low	61.8	Low	67 Å²	67	84.6 Å²	84.6	31%	0.313	43%	0.428	S	S	.	.	H	α-helix	trans	-66.8	-43.6	176.2	-69.2	174.9	-19.1	0	0	111	L27 K28 L29 I33 F34 C35 Y68	L27-Q31 WeakPolarHBondContact O-CG 3.45Å; L27-Q31 PolarHBondContact O-N 3.44Å; K28-Q31 WeakPolarHBondContact O-CB 3.34Å; K28-Q31 PolarHBondContact O-N 3.27Å; L29-Q31 VanDerWaalsContact C-N 3.33Å; L29-Q31 PolarHBondContact O-N 3.43Å; Q31-I33 PolarHBondContact O-N 3.09Å; Q31-F34 PolarHBondContact O-N 2.8Å; Q31-C35 WeakPolarHBondContact O-CB 3.24Å; Q31-C35 PolarHBondContact O-N 3.24Å; Q31-C35 PolarHBondContact O-SG 3.44Å; Q31-C35 VanDerWaalsContact O-SG 3.33Å; Q31-Y68 HydrophobicContact CG-CE2 4.04Å; Q31-Y68 VanDerWaalsContact CG-OH 3.23Å; Q31-Y68 WeakPolarHBondContact CG-OH 3.24Å; Q31-Y68 PolarHBondContact NE2-OH 3.41Å
32	T	61.8	Low	62.1	Low	78 Å²	78	82.2 Å²	82.2	48%	0.479	42%	0.419	S	S	.	.	H	α-helix	trans	-63.2	-43.4	177.1	-36	0	0	0	0	111.3	K28 L29 F34 C35 I36	K28-T32 PolarHBondContact O-N 2.87Å; K28-T32 PolarHBondContact O-OG1 3.48Å; L29-T32 PolarHBondContact O-N 3.02Å; T32-F34 VanDerWaalsContact C-N 3.34Å; T32-F34 PolarHBondContact O-N 3.21Å; T32-C35 PolarHBondContact O-N 3.42Å; T32-I36 HydrophobicContact CG2-CD1 4.13Å; T32-I36 WeakPolarHBondContact O-CB 2.99Å; T32-I36 VanDerWaalsContact O-CG1 3.25Å; T32-I36 WeakPolarHBondContact O-CG1 3.41Å; T32-I36 PolarHBondContact O-N 3.01Å
33	I	66.1	Low	62.4	Low	102 Å²	102	82.6 Å²	82.6	52%	0.523	42%	0.421	S	S	.	.	H	α-helix	trans	-61.4	-44.2	176.5	-69.1	165.5	0	0	0	110.5	L29 S30 Q31 I36 W37	L29-I33 HydrophobicContact CD2-CD1 4.35Å; L29-I33 HydrophobicContact CG-CD1 4.07Å; L29-I33 VanDerWaalsContact O-CG1 3.24Å; L29-I33 WeakPolarHBondContact O-CG1 3.44Å; L29-I33 PolarHBondContact O-N 3.11Å; S30-I33 PolarHBondContact O-N 2.92Å; Q31-I33 PolarHBondContact O-N 3.09Å; I33-I36 PolarHBondContact O-N 3.24Å; I33-W37 VanDerWaalsContact O-CB 3.25Å; I33-W37 WeakPolarHBondContact O-CB 2.93Å; I33-W37 PolarHBondContact O-N 3.44Å
34	F	62.8	Low	62.7	Low	30 Å²	30	80.5 Å²	80.5	13%	0.132	42%	0.415	C	S	.	.	H	α-helix	trans	-63.1	-43	178	-175.5	-102.9	0	0	0	112.3	S30 Q31 T32 W37 I38 L65 Y68 I76	S30-F34 WeakPolarHBondContact O-CB 3.12Å; S30-F34 PolarHBondContact O-N 3.01Å; Q31-F34 PolarHBondContact O-N 2.8Å; T32-F34 VanDerWaalsContact C-N 3.34Å; T32-F34 PolarHBondContact O-N 3.21Å; F34-W37 HydrophobicContact CD2-CE3 4.02Å; F34-W37 HydrophobicContact CD2-CZ3 4.29Å; F34-W37 HydrophobicContact CE2-CE3 4.02Å; F34-W37 AromaticContact CE2-CZ3 3.85Å; F34-W37 HydrophobicContact CE2-CZ3 3.85Å; F34-W37 PolarHBondContact O-N 3.46Å; F34-I38 HydrophobicContact CD1-CD1 4.12Å; F34-I38 HydrophobicContact CE1-CD1 3.45Å; F34-I38 VanDerWaalsContact CE1-CD1 3.45Å; F34-I38 HydrophobicContact CE1-CG1 4.3Å; F34-I38 HydrophobicContact CE2-CD1 4.46Å; F34-I38 HydrophobicContact CZ-CD1 3.65Å; F34-I38 HydrophobicContact CZ-CG1 4.35Å; F34-I38 PolarHBondContact O-N 2.9Å; F34-L65 HydrophobicContact CE1-CD2 4.32Å; F34-Y68 HydrophobicContact CD1-CD2 4.46Å; F34-Y68 HydrophobicContact CE1-CD2 4.42Å; F34-Y68 HydrophobicContact CE1-CG 4.34Å; F34-I76 HydrophobicContact CE2-CG2 4.01Å; F34-I76 HydrophobicContact CZ-CG2 4.5Å
35	C	58.4	Low	62.8	Low	68 Å²	68	76.4 Å²	76.4	46%	0.459	39%	0.393	S	S	.	.	H	α-helix	trans	-64.2	-46.2	176.2	-72.2	0	0	0	0	112.2	Q31 T32 W37 I38 I39	Q31-C35 WeakPolarHBondContact O-CB 3.24Å; Q31-C35 PolarHBondContact O-N 3.24Å; Q31-C35 PolarHBondContact O-SG 3.44Å; Q31-C35 VanDerWaalsContact O-SG 3.33Å; T32-C35 PolarHBondContact O-N 3.42Å; C35-W37 VanDerWaalsContact C-N 3.26Å; C35-W37 PolarHBondContact O-N 2.74Å; C35-I38 PolarHBondContact O-N 2.97Å; C35-I39 VanDerWaalsContact O-CG1 3.29Å; C35-I39 WeakPolarHBondContact O-CG1 3.26Å; C35-I39 PolarHBondContact O-N 3.38Å
36	I	63.2	Low	62.8	Low	105 Å²	105	71.8 Å²	71.8	54%	0.538	39%	0.386	S	S	.	.	H	α-helix	trans	-59.4	-42.8	175.7	-69.5	166.5	0	0	0	110	T32 I33 I39 C40	T32-I36 HydrophobicContact CG2-CD1 4.13Å; T32-I36 WeakPolarHBondContact O-CB 2.99Å; T32-I36 VanDerWaalsContact O-CG1 3.25Å; T32-I36 WeakPolarHBondContact O-CG1 3.41Å; T32-I36 PolarHBondContact O-N 3.01Å; I33-I36 PolarHBondContact O-N 3.24Å; I36-I39 PolarHBondContact O-N 2.91Å; I36-C40 WeakPolarHBondContact O-CB 3.17Å; I36-C40 PolarHBondContact O-N 3.42Å
37	W	67.5	Low	62.6	Low	59 Å²	59	74.2 Å²	74.2	22%	0.223	40%	0.4	C	S	.	.	H	α-helix	trans	-61.8	-46.6	178.2	177.8	70.2	0	0	0	112.1	I33 F34 C35 I39 C40 Q41 T83 I84	I33-W37 VanDerWaalsContact O-CB 3.25Å; I33-W37 WeakPolarHBondContact O-CB 2.93Å; I33-W37 PolarHBondContact O-N 3.44Å; F34-W37 HydrophobicContact CD2-CE3 4.02Å; F34-W37 HydrophobicContact CD2-CZ3 4.29Å; F34-W37 HydrophobicContact CE2-CE3 4.02Å; F34-W37 AromaticContact CE2-CZ3 3.85Å; F34-W37 HydrophobicContact CE2-CZ3 3.85Å; F34-W37 PolarHBondContact O-N 3.46Å; C35-W37 VanDerWaalsContact C-N 3.26Å; C35-W37 PolarHBondContact O-N 2.74Å; W37-I39 PolarHBondContact O-N 3.43Å; W37-C40 PolarHBondContact O-N 3.2Å; W37-Q41 HydrophobicContact CZ2-CG 4.44Å; W37-Q41 WeakPolarHBondContact O-CG 3.29Å; W37-Q41 PolarHBondContact O-N 3.29Å; W37-T83 HydrophobicContact CH2-CG2 3.83Å; W37-T83 HydrophobicContact CZ2-CG2 3.84Å; W37-I84 HydrophobicContact CZ2-CG1 3.94Å
38	I	64.6	Low	62.6	Low	14 Å²	14	69.5 Å²	69.5	7%	0.072	38%	0.375	C	S	.	.	H	α-helix	trans	-60	-44.9	175.3	-75.6	-171.7	0	0	0	111.7	F34 C35 C40 Q41 L42 I61 L65	F34-I38 HydrophobicContact CD1-CD1 4.12Å; F34-I38 HydrophobicContact CE1-CD1 3.45Å; F34-I38 VanDerWaalsContact CE1-CD1 3.45Å; F34-I38 HydrophobicContact CE1-CG1 4.3Å; F34-I38 HydrophobicContact CE2-CD1 4.46Å; F34-I38 HydrophobicContact CZ-CD1 3.65Å; F34-I38 HydrophobicContact CZ-CG1 4.35Å; F34-I38 PolarHBondContact O-N 2.9Å; C35-I38 PolarHBondContact O-N 2.97Å; I38-C40 VanDerWaalsContact C-N 3.31Å; I38-C40 PolarHBondContact O-N 3.4Å; I38-Q41 PolarHBondContact O-N 3.44Å; I38-L42 HydrophobicContact CG2-CD1 3.78Å; I38-L42 HydrophobicContact CG2-CG 4.31Å; I38-L42 WeakPolarHBondContact O-CB 3.4Å; I38-L42 WeakPolarHBondContact O-CG 3.42Å; I38-L42 PolarHBondContact O-N 3.47Å; I38-I61 HydrophobicContact CD1-CG2 4.1Å; I38-I61 HydrophobicContact CG1-CG2 4.25Å; I38-I61 HydrophobicContact CG2-CG2 3.93Å; I38-L65 HydrophobicContact CD1-CD1 4.34Å; I38-L65 HydrophobicContact CD1-CD2 3.48Å; I38-L65 VanDerWaalsContact CD1-CD2 3.48Å; I38-L65 HydrophobicContact CD1-CG 3.68Å
39	I	66.1	Low	62.6	Low	97 Å²	97	71.9 Å²	71.9	50%	0.497	39%	0.386	S	S	.	.	H	α-helix	trans	-60.7	-44.3	178.7	-67.8	165.8	0	0	0	110.5	C35 I36 W37 Q41 L42 Q43	C35-I39 VanDerWaalsContact O-CG1 3.29Å; C35-I39 WeakPolarHBondContact O-CG1 3.26Å; C35-I39 PolarHBondContact O-N 3.38Å; I36-I39 PolarHBondContact O-N 2.91Å; W37-I39 PolarHBondContact O-N 3.43Å; I39-Q41 VanDerWaalsContact C-N 3.34Å; I39-Q41 PolarHBondContact O-N 3.1Å; I39-L42 PolarHBondContact O-N 3.34Å; I39-Q43 WeakPolarHBondContact O-CG 3.05Å; I39-Q43 PolarHBondContact O-N 2.92Å
40	C	65.2	Low	62	Low	62 Å²	62	70 Å²	70	42%	0.419	37%	0.374	S	S	.	.	H	α-helix	trans	-63.1	-40.5	179.5	-153.9	0	0	0	0	111.6	I36 W37 I38 Q43 L44	I36-C40 WeakPolarHBondContact O-CB 3.17Å; I36-C40 PolarHBondContact O-N 3.42Å; W37-C40 PolarHBondContact O-N 3.2Å; I38-C40 VanDerWaalsContact C-N 3.31Å; I38-C40 PolarHBondContact O-N 3.4Å; C40-Q43 PolarHBondContact O-N 3.43Å; C40-L44 PolarHBondContact O-N 3.36Å; C40-L44 VanDerWaalsContact O-N 3.08Å
41	Q	63.8	Low	61.7	Low	15 Å²	15	70.4 Å²	70.4	7%	0.07	37%	0.371	C	S	.	.	H	α-helix	trans	-67.4	-41.2	175.1	-66.4	-59.7	-32.5	0	0	112.4	W37 I38 I39 Q43 L44 V45 I61 T83	W37-Q41 HydrophobicContact CZ2-CG 4.44Å; W37-Q41 WeakPolarHBondContact O-CG 3.29Å; W37-Q41 PolarHBondContact O-N 3.29Å; I38-Q41 PolarHBondContact O-N 3.44Å; I39-Q41 VanDerWaalsContact C-N 3.34Å; I39-Q41 PolarHBondContact O-N 3.1Å; Q41-Q43 VanDerWaalsContact C-N 3.29Å; Q41-Q43 PolarHBondContact O-N 3.37Å; Q41-L44 PolarHBondContact O-N 3.01Å; Q41-V45 WeakPolarHBondContact O-CB 3.41Å; Q41-V45 WeakPolarHBondContact O-CG2 3.18Å; Q41-V45 PolarHBondContact O-N 3.34Å; Q41-I61 HydrophobicContact CB-CD1 3.8Å; Q41-T83 HydrophobicContact CG-CG2 4.23Å
42	L	64.5	Low	61.3	Low	65 Å²	65	71.2 Å²	71.2	34%	0.34	38%	0.38	S	S	.	.	H	α-helix	trans	-61.1	-38.6	175.5	-74	169.3	0	0	0	111.9	I38 I39 V45 G46 Y58 I61	I38-L42 HydrophobicContact CG2-CD1 3.78Å; I38-L42 HydrophobicContact CG2-CG 4.31Å; I38-L42 WeakPolarHBondContact O-CB 3.4Å; I38-L42 WeakPolarHBondContact O-CG 3.42Å; I38-L42 PolarHBondContact O-N 3.47Å; I39-L42 PolarHBondContact O-N 3.34Å; L42-V45 PolarHBondContact O-N 2.94Å; L42-G46 PolarHBondContact O-N 3.46Å; L42-Y58 HydrophobicContact CD2-CD1 4.03Å; L42-Y58 HydrophobicContact CD2-CE1 3.35Å; L42-I61 HydrophobicContact CD2-CD1 4.23Å; L42-I61 HydrophobicContact CG-CD1 4.35Å
43	Q	67.1	Low	61	Low	128 Å²	128	69.8 Å²	69.8	60%	0.598	37%	0.368	S	S	*	.	H	α-helix	trans	-65.5	-44.1	174.8	-74.4	-177.4	-30.4	0	0	112.5	I39 C40 Q41 V45 G46 N47	I39-Q43 WeakPolarHBondContact O-CG 3.05Å; I39-Q43 PolarHBondContact O-N 2.92Å; C40-Q43 PolarHBondContact O-N 3.43Å; Q41-Q43 VanDerWaalsContact C-N 3.29Å; Q41-Q43 PolarHBondContact O-N 3.37Å; Q43-V45 VanDerWaalsContact C-N 3.31Å; Q43-V45 PolarHBondContact O-N 3.26Å; Q43-G46 PolarHBondContact O-N 2.81Å; Q43-N47 PolarHBondContact O-N 3.22Å
44	L	61.7	Low	60.7	Low	63 Å²	63	68.1 Å²	68.1	33%	0.33	36%	0.355	S	S	.	.	H	α-helix	trans	-59.8	-42.5	175.3	-82.5	164	0	0	0	111.9	C40 Q41 N47 S48	C40-L44 PolarHBondContact O-N 3.36Å; C40-L44 VanDerWaalsContact O-N 3.08Å; Q41-L44 PolarHBondContact O-N 3.01Å; L44-N47 PolarHBondContact O-N 3.32Å; L44-S48 PolarHBondContact O-N 3.35Å
45	V	63.9	Low	60.3	Low	0 Å²	0	72.3 Å²	72.3	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-69.1	-39	178.4	173.2	0	0	0	0	111.7	Q41 L42 Q43 N47 S48 R54 I57 Y58	Q41-V45 WeakPolarHBondContact O-CB 3.41Å; Q41-V45 WeakPolarHBondContact O-CG2 3.18Å; Q41-V45 PolarHBondContact O-N 3.34Å; L42-V45 PolarHBondContact O-N 2.94Å; Q43-V45 VanDerWaalsContact C-N 3.31Å; Q43-V45 PolarHBondContact O-N 3.26Å; V45-N47 PolarHBondContact O-N 3.47Å; V45-S48 PolarHBondContact O-N 2.69Å; V45-R54 HydrophobicContact CG1-CB 3.74Å; V45-R54 HydrophobicContact CG1-CG 3.67Å; V45-R54 WeakPolarHBondContact O-CD 3.14Å; V45-I57 HydrophobicContact CG2-CB 3.67Å; V45-I57 HydrophobicContact CG2-CD1 3.87Å; V45-I57 HydrophobicContact CG2-CG1 4.38Å; V45-I57 HydrophobicContact CG2-CG2 3.34Å; V45-Y58 HydrophobicContact CB-CE2 4.43Å; V45-Y58 HydrophobicContact CG1-CD2 3.62Å; V45-Y58 HydrophobicContact CG1-CE2 3.16Å; V45-Y58 HydrophobicContact CG1-CG 4.49Å
46	G	60.5	Low	60.5	Low	44 Å²	44	73.1 Å²	73.1	45%	0.454	37%	0.367	S	S	.	.	H	α-helix	trans	-57.4	-36.8	176.9	0	0	0	0	0	113.1	L42 Q43 R54	L42-G46 PolarHBondContact O-N 3.46Å; Q43-G46 PolarHBondContact O-N 2.81Å; G46-R54 PolarHBondContact O-NH1 3.49Å
47	N	59.9	Low	60.4	Low	147 Å²	147	68.1 Å²	68.1	79%	0.786	34%	0.342	S	S	*	.	H	α-helix	trans	-83.2	-16	179.7	-86.1	-28.9	0	0	0	115	Q43 L44 V45	Q43-N47 PolarHBondContact O-N 3.22Å; L44-N47 PolarHBondContact O-N 3.32Å; V45-N47 PolarHBondContact O-N 3.47Å
48	S	55.5	Low	60.2	Low	6 Å²	6	69.8 Å²	69.8	4%	0.042	35%	0.348	C	S	.	.			trans	-73.4	134.4	-179.8	176.3	0	0	0	0	111.1	L44 V45 H50 R54 L90	L44-S48 PolarHBondContact O-N 3.35Å; V45-S48 PolarHBondContact O-N 2.69Å; S48-H50 VanDerWaalsContact C-N 3.34Å; S48-H50 PolarHBondContact OG-N 2.83Å; S48-R54 PolarHBondContact O-NE 3.26Å; S48-R54 PolarHBondContact O-NH1 3.26Å; S48-R54 VanDerWaalsContact O-NH1 3.13Å; S48-R54 PolarHBondContact O-NH2 3.21Å; S48-L90 WeakPolarHBondContact OG-CD1 3.46Å
49	K	56.4	Low	60	Low	185 Å²	185	71.7 Å²	71.7	80%	0.804	36%	0.355	S	S	*	.			trans	-82	-8.8	172.7	-75.6	-178.6	178.4	176.8	0	113.6	N51	K49-N51 PolarHBondContact O-N 3.45Å
50	H	52.9	Low	59.9	Low	73 Å²	73	67.1 Å²	67.1	34%	0.338	33%	0.331	S	S	.	.			trans	-91.2	106	-173.1	-77.3	-77.1	0	0	0	112.7	S48 V52 E53 R54 R97	S48-H50 VanDerWaalsContact C-N 3.34Å; S48-H50 PolarHBondContact OG-N 2.83Å; H50-V52 PolarHBondContact O-N 3.49Å; H50-E53 HydrophobicContact CB-CB 4.49Å; H50-E53 HydrophobicContact CB-CG 4.4Å; H50-E53 PolarHBondContact O-N 3.32Å; H50-R54 WeakPolarHBondContact O-CG 3.09Å; H50-R54 PolarHBondContact O-N 2.85Å; H50-R97 PolarHBondContact CE1-NH1 3.31Å; H50-R97 PolarHBondContact NE2-NH1 3Å
51	N	55.2	Low	60	Low	71 Å²	71	64.4 Å²	64.4	38%	0.38	31%	0.313	S	S	.	.	H	α-helix	trans	-57.5	-43.4	-177.8	-75.1	-8.9	0	0	0	113.3	K49 E53 R54 Y55	K49-N51 PolarHBondContact O-N 3.45Å; N51-E53 VanDerWaalsContact C-N 3.34Å; N51-E53 PolarHBondContact O-N 2.98Å; N51-R54 PolarHBondContact O-N 3.28Å; N51-Y55 WeakPolarHBondContact O-CD2 3.47Å; N51-Y55 PolarHBondContact O-N 3.4Å; N51-Y55 VanDerWaalsContact O-N 3.15Å
52	V	51.5	Low	60.1	Low	83 Å²	83	66.7 Å²	66.7	50%	0.503	33%	0.325	S	S	.	.	H	α-helix	trans	-63.6	-38.4	-174	-167	0	0	0	0	112.5	H50 Y55 F56 V137	H50-V52 PolarHBondContact O-N 3.49Å; V52-Y55 PolarHBondContact O-N 3.3Å; V52-F56 PolarHBondContact O-N 2.93Å; V52-V137 HydrophobicContact CG1-CG1 4.39Å; V52-V137 HydrophobicContact CG1-CG2 3.76Å
53	E	55.1	Low	60.2	Low	48 Å²	48	65 Å²	65	22%	0.224	31%	0.314	C	S	.	.	H	α-helix	trans	-79	-34	-178.8	-57.5	-162.1	150.3	0	0	112.2	H50 N51 Y55 F56 I57 L90 L93	H50-E53 HydrophobicContact CB-CB 4.49Å; H50-E53 HydrophobicContact CB-CG 4.4Å; H50-E53 PolarHBondContact O-N 3.32Å; N51-E53 VanDerWaalsContact C-N 3.34Å; N51-E53 PolarHBondContact O-N 2.98Å; E53-Y55 PolarHBondContact O-N 3.23Å; E53-F56 PolarHBondContact O-N 2.75Å; E53-I57 WeakPolarHBondContact O-CG1 3.16Å; E53-I57 PolarHBondContact O-N 3.28Å; E53-I57 VanDerWaalsContact O-N 3.12Å; E53-L90 HydrophobicContact CB-CD1 4.2Å; E53-L90 WeakPolarHBondContact OE2-CD1 3.48Å; E53-L93 WeakPolarHBondContact OE1-CD1 3.42Å
54	R	58.7	Low	60.2	Low	67 Å²	67	58.9 Å²	58.9	25%	0.253	29%	0.286	S	S	.	.	H	α-helix	trans	-55.8	-43.8	169.4	-65	-165.2	-125.1	-153.9	9.5	110.5	V45 G46 S48 H50 N51 F56 I57 Y58	V45-R54 HydrophobicContact CG1-CB 3.74Å; V45-R54 HydrophobicContact CG1-CG 3.67Å; V45-R54 WeakPolarHBondContact O-CD 3.14Å; G46-R54 PolarHBondContact O-NH1 3.49Å; S48-R54 PolarHBondContact O-NE 3.26Å; S48-R54 PolarHBondContact O-NH1 3.26Å; S48-R54 VanDerWaalsContact O-NH1 3.13Å; S48-R54 PolarHBondContact O-NH2 3.21Å; H50-R54 WeakPolarHBondContact O-CG 3.09Å; H50-R54 PolarHBondContact O-N 2.85Å; N51-R54 PolarHBondContact O-N 3.28Å; R54-F56 PolarHBondContact O-N 3.44Å; R54-I57 PolarHBondContact O-N 3.44Å; R54-Y58 HydrophobicContact CB-CD2 4.15Å; R54-Y58 HydrophobicContact CB-CE2 4.33Å; R54-Y58 WeakPolarHBondContact O-CB 3.45Å; R54-Y58 WeakPolarHBondContact O-CD2 3.36Å; R54-Y58 PolarHBondContact O-N 3.25Å
55	Y	55.2	Low	60.4	Low	119 Å²	119	58.5 Å²	58.5	47%	0.467	28%	0.284	S	S	.	.	H	α-helix	trans	-61	-41.1	179.9	-84.1	-70.8	0	0	0	113.1	N51 V52 E53 R59 A133	N51-Y55 WeakPolarHBondContact O-CD2 3.47Å; N51-Y55 PolarHBondContact O-N 3.4Å; N51-Y55 VanDerWaalsContact O-N 3.15Å; V52-Y55 PolarHBondContact O-N 3.3Å; E53-Y55 PolarHBondContact O-N 3.23Å; Y55-R59 WeakPolarHBondContact O-CB 3.29Å; Y55-R59 PolarHBondContact O-N 3.07Å; Y55-A133 HydrophobicContact CE1-CB 4.35Å
56	F	61.3	Low	60.5	Low	84 Å²	84	60.2 Å²	60.2	37%	0.368	29%	0.29	S	S	.	.	H	α-helix	trans	-67	-40.9	178	-98.1	-83.6	0	0	0	112.4	V52 E53 R54 S60	V52-F56 PolarHBondContact O-N 2.93Å; E53-F56 PolarHBondContact O-N 2.75Å; R54-F56 PolarHBondContact O-N 3.44Å; F56-S60 PolarHBondContact O-N 3.43Å; F56-S60 VanDerWaalsContact O-N 3.09Å; F56-S60 PolarHBondContact O-OG 3.49Å
57	I	62.4	Low	60.5	Low	1 Å²	1	58.1 Å²	58.1	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-70.8	-46.8	178.9	-60.3	167.7	0	0	0	110.5	V45 E53 R54 R59 S60 I61 T83 N86 L90	V45-I57 HydrophobicContact CG2-CB 3.67Å; V45-I57 HydrophobicContact CG2-CD1 3.87Å; V45-I57 HydrophobicContact CG2-CG1 4.38Å; V45-I57 HydrophobicContact CG2-CG2 3.34Å; E53-I57 WeakPolarHBondContact O-CG1 3.16Å; E53-I57 PolarHBondContact O-N 3.28Å; E53-I57 VanDerWaalsContact O-N 3.12Å; R54-I57 PolarHBondContact O-N 3.44Å; I57-R59 VanDerWaalsContact C-N 3.3Å; I57-R59 PolarHBondContact O-N 3.05Å; I57-S60 PolarHBondContact O-N 2.87Å; I57-I61 HydrophobicContact CG2-CD1 3.86Å; I57-I61 HydrophobicContact CG2-CG1 4.37Å; I57-I61 WeakPolarHBondContact O-CG1 3.38Å; I57-I61 PolarHBondContact O-N 3.31Å; I57-T83 HydrophobicContact CG2-CG2 4.07Å; I57-N86 HydrophobicContact CG1-CB 3.83Å; I57-L90 HydrophobicContact CD1-CB 4.21Å; I57-L90 HydrophobicContact CD1-CD2 3.75Å; I57-L90 HydrophobicContact CD1-CG 4.46Å
58	Y	62.1	Low	60.8	Low	93 Å²	93	54.8 Å²	54.8	37%	0.365	25%	0.246	S	C	.	.	H	α-helix	trans	-56.4	-44	175	-89.2	-64.9	0	0	0	112.3	L42 V45 R54 S60 I61 L62	L42-Y58 HydrophobicContact CD2-CD1 4.03Å; L42-Y58 HydrophobicContact CD2-CE1 3.35Å; V45-Y58 HydrophobicContact CB-CE2 4.43Å; V45-Y58 HydrophobicContact CG1-CD2 3.62Å; V45-Y58 HydrophobicContact CG1-CE2 3.16Å; V45-Y58 HydrophobicContact CG1-CG 4.49Å; R54-Y58 HydrophobicContact CB-CD2 4.15Å; R54-Y58 HydrophobicContact CB-CE2 4.33Å; R54-Y58 WeakPolarHBondContact O-CB 3.45Å; R54-Y58 WeakPolarHBondContact O-CD2 3.36Å; R54-Y58 PolarHBondContact O-N 3.25Å; Y58-S60 VanDerWaalsContact C-N 3.32Å; Y58-S60 PolarHBondContact O-N 3.3Å; Y58-I61 PolarHBondContact O-N 3.38Å; Y58-L62 WeakPolarHBondContact O-CB 3.38Å; Y58-L62 VanDerWaalsContact O-CD1 3.29Å; Y58-L62 WeakPolarHBondContact O-CD1 3.26Å; Y58-L62 PolarHBondContact O-N 3.05Å
59	R	61.1	Low	61.4	Low	54 Å²	54	61.2 Å²	61.2	20%	0.204	27%	0.273	C	S	.	.	H	α-helix	trans	-58.8	-45.3	175.7	176.8	-174.5	168.4	159.3	12.4	111.3	Y55 I57 L62 W63 R184 Y188	Y55-R59 WeakPolarHBondContact O-CB 3.29Å; Y55-R59 PolarHBondContact O-N 3.07Å; I57-R59 VanDerWaalsContact C-N 3.3Å; I57-R59 PolarHBondContact O-N 3.05Å; R59-L62 PolarHBondContact O-N 3.36Å; R59-W63 VanDerWaalsContact O-CD1 3.25Å; R59-W63 PolarHBondContact O-N 2.88Å; R59-R184 VanDerWaalsContact CZ-NH2 3.32Å; R59-Y188 PolarHBondContact NH1-OH 3.33Å
60	S	64.6	Low	61.9	Low	1 Å²	1	55.5 Å²	55.5	1%	0.007	25%	0.254	C	S	.	.	H	α-helix	trans	-68.4	-37.2	-176.9	-49.5	0	0	0	0	111.3	F56 I57 Y58 S64 T83	F56-S60 PolarHBondContact O-N 3.43Å; F56-S60 VanDerWaalsContact O-N 3.09Å; F56-S60 PolarHBondContact O-OG 3.49Å; I57-S60 PolarHBondContact O-N 2.87Å; Y58-S60 VanDerWaalsContact C-N 3.32Å; Y58-S60 PolarHBondContact O-N 3.3Å; S60-S64 WeakPolarHBondContact O-CB 3.45Å; S60-S64 PolarHBondContact O-N 2.77Å; S60-S64 PolarHBondContact O-OG 3.42Å; S60-T83 WeakPolarHBondContact CB-OG1 3.42Å
61	I	67.3	Low	62.6	Low	5 Å²	5	58.9 Å²	58.9	3%	0.026	27%	0.274	C	S	.	.	H	α-helix	trans	-63.9	-48.7	173.2	-66.7	169.3	0	0	0	110.9	I38 Q41 L42 I57 Y58 W63 S64 L65 T83	I38-I61 HydrophobicContact CD1-CG2 4.1Å; I38-I61 HydrophobicContact CG1-CG2 4.25Å; I38-I61 HydrophobicContact CG2-CG2 3.93Å; Q41-I61 HydrophobicContact CB-CD1 3.8Å; L42-I61 HydrophobicContact CD2-CD1 4.23Å; L42-I61 HydrophobicContact CG-CD1 4.35Å; I57-I61 HydrophobicContact CG2-CD1 3.86Å; I57-I61 HydrophobicContact CG2-CG1 4.37Å; I57-I61 WeakPolarHBondContact O-CG1 3.38Å; I57-I61 PolarHBondContact O-N 3.31Å; Y58-I61 PolarHBondContact O-N 3.38Å; I61-W63 VanDerWaalsContact C-N 3.3Å; I61-W63 PolarHBondContact O-N 2.72Å; I61-S64 WeakPolarHBondContact O-CB 3.22Å; I61-S64 PolarHBondContact O-N 3.46Å; I61-S64 VanDerWaalsContact O-N 3.08Å; I61-L65 HydrophobicContact CG2-CD1 4.15Å; I61-L65 PolarHBondContact O-N 3.34Å; I61-T83 HydrophobicContact CG1-CG2 3.87Å
62	L	65.6	Low	63.3	Low	63 Å²	63	56 Å²	56	33%	0.33	26%	0.259	S	S	.	.	H	α-helix	trans	-60	-39.2	179.4	-85.7	145.4	0	0	0	112.4	Y58 R59 L65 Y66 V130	Y58-L62 WeakPolarHBondContact O-CB 3.38Å; Y58-L62 VanDerWaalsContact O-CD1 3.29Å; Y58-L62 WeakPolarHBondContact O-CD1 3.26Å; Y58-L62 PolarHBondContact O-N 3.05Å; R59-L62 PolarHBondContact O-N 3.36Å; L62-L65 PolarHBondContact O-N 3.06Å; L62-Y66 WeakPolarHBondContact O-CB 3.49Å; L62-Y66 PolarHBondContact O-N 3.39Å; L62-V130 HydrophobicContact CB-CG1 4.18Å; L62-V130 HydrophobicContact CD1-CG1 3.42Å; L62-V130 VanDerWaalsContact CD1-CG1 3.42Å; L62-V130 HydrophobicContact CD2-CG1 4.16Å; L62-V130 HydrophobicContact CD2-CG2 4.11Å; L62-V130 HydrophobicContact CG-CG1 4.09Å
63	W	66	Low	64.4	Low	30 Å²	30	60.4 Å²	60.4	11%	0.114	27%	0.267	C	S	.	.	H	α-helix	trans	-74.2	-28.3	175.5	-83.6	82.4	0	0	0	113.6	R59 I61 Y66 G67 V75 N79 L181 R184	R59-W63 VanDerWaalsContact O-CD1 3.25Å; R59-W63 PolarHBondContact O-N 2.88Å; I61-W63 VanDerWaalsContact C-N 3.3Å; I61-W63 PolarHBondContact O-N 2.72Å; W63-Y66 AromaticContact CE3-CD1 3.94Å; W63-Y66 HydrophobicContact CE3-CD1 3.94Å; W63-Y66 HydrophobicContact CE3-CG 4.42Å; W63-Y66 AromaticContact CZ3-CD1 3.74Å; W63-Y66 HydrophobicContact CZ3-CD1 3.74Å; W63-Y66 HydrophobicContact CZ3-CE1 4.01Å; W63-Y66 HydrophobicContact CZ3-CG 4.37Å; W63-G67 PolarHBondContact O-N 2.93Å; W63-V75 HydrophobicContact CE3-CG1 4.09Å; W63-N79 HydrophobicContact CB-CB 4.01Å; W63-N79 VanDerWaalsContact CB-CG 3.42Å; W63-N79 WeakPolarHBondContact CB-OD1 3.36Å; W63-L181 HydrophobicContact CE3-CD1 4.46Å; W63-L181 HydrophobicContact CH2-CB 4.47Å; W63-L181 HydrophobicContact CH2-CD1 4.41Å; W63-L181 HydrophobicContact CH2-CG 4.02Å; W63-L181 HydrophobicContact CZ3-CB 4.45Å; W63-L181 HydrophobicContact CZ3-CD1 3.6Å; W63-L181 HydrophobicContact CZ3-CG 3.65Å; W63-R184 VanDerWaalsContact CD1-NH1 3.3Å
64	S	66.8	Low	65.3	Low	0 Å²	0	60.8 Å²	60.8	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-69.8	-39.9	171.8	-55.9	0	0	0	0	111.1	S60 I61 G67 Y68 N79 G80	S60-S64 WeakPolarHBondContact O-CB 3.45Å; S60-S64 PolarHBondContact O-N 2.77Å; S60-S64 PolarHBondContact O-OG 3.42Å; I61-S64 WeakPolarHBondContact O-CB 3.22Å; I61-S64 PolarHBondContact O-N 3.46Å; I61-S64 VanDerWaalsContact O-N 3.08Å; S64-G67 PolarHBondContact O-N 2.8Å; S64-Y68 WeakPolarHBondContact O-CB 3.48Å; S64-Y68 PolarHBondContact O-N 3.12Å; S64-N79 WeakPolarHBondContact OG-CB 3.36Å; S64-G80 PolarHBondContact OG-N 3.43Å
65	L	66.1	Low	65.6	Low	55 Å²	55	58.1 Å²	58.1	29%	0.288	26%	0.259	S	S	.	.	H	α-helix	trans	-63.7	-45.5	172.2	-74.1	169.9	0	0	0	111.5	F34 I38 I61 L62 G67 Y68 F69	F34-L65 HydrophobicContact CE1-CD2 4.32Å; I38-L65 HydrophobicContact CD1-CD1 4.34Å; I38-L65 HydrophobicContact CD1-CD2 3.48Å; I38-L65 VanDerWaalsContact CD1-CD2 3.48Å; I38-L65 HydrophobicContact CD1-CG 3.68Å; I61-L65 HydrophobicContact CG2-CD1 4.15Å; I61-L65 PolarHBondContact O-N 3.34Å; L62-L65 PolarHBondContact O-N 3.06Å; L65-G67 VanDerWaalsContact C-N 3.34Å; L65-G67 PolarHBondContact O-N 3.14Å; L65-Y68 WeakPolarHBondContact O-CA 3.3Å; L65-Y68 WeakPolarHBondContact O-CB 3.26Å; L65-Y68 PolarHBondContact O-N 2.88Å; L65-Y68 VanDerWaalsContact O-N 3.1Å; L65-F69 HydrophobicContact CB-CE2 4.33Å; L65-F69 WeakPolarHBondContact O-CD2 3.44Å; L65-F69 PolarHBondContact O-N 2.88Å
66	Y	65.3	Low	66.3	Low	35 Å²	35	54.2 Å²	54.2	14%	0.137	25%	0.246	C	C	.	.	H	α-helix	trans	-56.6	-48.9	173.9	178.1	-92.8	0	0	0	111.6	L62 W63 Y68 F69 V70 V75 D178 L181	L62-Y66 WeakPolarHBondContact O-CB 3.49Å; L62-Y66 PolarHBondContact O-N 3.39Å; W63-Y66 AromaticContact CE3-CD1 3.94Å; W63-Y66 HydrophobicContact CE3-CD1 3.94Å; W63-Y66 HydrophobicContact CE3-CG 4.42Å; W63-Y66 AromaticContact CZ3-CD1 3.74Å; W63-Y66 HydrophobicContact CZ3-CD1 3.74Å; W63-Y66 HydrophobicContact CZ3-CE1 4.01Å; W63-Y66 HydrophobicContact CZ3-CG 4.37Å; Y66-Y68 PolarHBondContact O-N 3.43Å; Y66-F69 PolarHBondContact O-N 3.43Å; Y66-V70 HydrophobicContact CD1-CG2 4.33Å; Y66-V70 HydrophobicContact CD2-CG2 4.2Å; Y66-V70 HydrophobicContact CE1-CB 4.38Å; Y66-V70 HydrophobicContact CE1-CG2 3.85Å; Y66-V70 HydrophobicContact CE2-CG2 3.74Å; Y66-V70 HydrophobicContact CG-CG2 4.48Å; Y66-V70 WeakPolarHBondContact O-CG2 3.37Å; Y66-V70 PolarHBondContact O-N 2.86Å; Y66-V75 HydrophobicContact CD1-CG1 4.41Å; Y66-D178 PolarHBondContact OH-OD1 3.08Å; Y66-D178 PolarHBondContact OH-OD2 2.98Å; Y66-L181 HydrophobicContact CE1-CD1 3.96Å
67	G	61.8	Low	66.8	Low	0 Å²	0	52.7 Å²	52.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-58.4	-36.1	176.5	0	0	0	0	0	112.6	W63 S64 L65 N71 N72	W63-G67 PolarHBondContact O-N 2.93Å; S64-G67 PolarHBondContact O-N 2.8Å; L65-G67 VanDerWaalsContact C-N 3.34Å; L65-G67 PolarHBondContact O-N 3.14Å; G67-N71 PolarHBondContact O-N 3.33Å; G67-N72 PolarHBondContact O-N 3.44Å
68	Y	66.9	Low	67.4	Low	77 Å²	77	57 Å²	57	30%	0.302	28%	0.276	S	S	.	.	H	α-helix	trans	-67.3	-47	175.7	-178.2	-94.9	0	0	0	112.2	Q31 F34 S64 L65 Y66 N71 I76	Q31-Y68 HydrophobicContact CG-CE2 4.04Å; Q31-Y68 VanDerWaalsContact CG-OH 3.23Å; Q31-Y68 WeakPolarHBondContact CG-OH 3.24Å; Q31-Y68 PolarHBondContact NE2-OH 3.41Å; F34-Y68 HydrophobicContact CD1-CD2 4.46Å; F34-Y68 HydrophobicContact CE1-CD2 4.42Å; F34-Y68 HydrophobicContact CE1-CG 4.34Å; S64-Y68 WeakPolarHBondContact O-CB 3.48Å; S64-Y68 PolarHBondContact O-N 3.12Å; L65-Y68 WeakPolarHBondContact O-CA 3.3Å; L65-Y68 WeakPolarHBondContact O-CB 3.26Å; L65-Y68 PolarHBondContact O-N 2.88Å; L65-Y68 VanDerWaalsContact O-N 3.1Å; Y66-Y68 PolarHBondContact O-N 3.43Å; Y68-N71 PolarHBondContact O-N 3.22Å; Y68-N71 VanDerWaalsContact O-N 3.14Å; Y68-I76 HydrophobicContact CD2-CD1 4.39Å
69	F	68	Low	67.8	Low	142 Å²	142	53.7 Å²	53.7	62%	0.623	26%	0.264	S	S	*	.	H	α-helix	trans	-66.8	-37.9	179.4	-72.9	-61.4	0	0	0	113.4	L65 Y66 N71	L65-F69 HydrophobicContact CB-CE2 4.33Å; L65-F69 WeakPolarHBondContact O-CD2 3.44Å; L65-F69 PolarHBondContact O-N 2.88Å; Y66-F69 PolarHBondContact O-N 3.43Å; F69-N71 PolarHBondContact O-N 3.37Å
70	V	66.1	Low	68.1	Low	65 Å²	65	51.7 Å²	51.7	39%	0.394	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	3.3	177	-174	0	0	0	0	111.6	Y66 N72	Y66-V70 HydrophobicContact CD1-CG2 4.33Å; Y66-V70 HydrophobicContact CD2-CG2 4.2Å; Y66-V70 HydrophobicContact CE1-CB 4.38Å; Y66-V70 HydrophobicContact CE1-CG2 3.85Å; Y66-V70 HydrophobicContact CE2-CG2 3.74Å; Y66-V70 HydrophobicContact CG-CG2 4.48Å; Y66-V70 WeakPolarHBondContact O-CG2 3.37Å; Y66-V70 PolarHBondContact O-N 2.86Å; V70-N72 PolarHBondContact O-N 2.85Å; V70-N72 VanDerWaalsContact O-N 3.16Å
71	N	68.3	Low	68.5	Low	144 Å²	144	57.2 Å²	57.2	77%	0.77	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	34.4	-180	-137.4	8.5	0	0	0	112.9	G67 Y68 F69	G67-N71 PolarHBondContact O-N 3.33Å; Y68-N71 PolarHBondContact O-N 3.22Å; Y68-N71 VanDerWaalsContact O-N 3.14Å; F69-N71 PolarHBondContact O-N 3.37Å
72	N	68.1	Low	68.5	Low	11 Å²	11	60.5 Å²	60.5	6%	0.059	31%	0.306	C	S	.	.			trans	-104.3	89.9	-176.6	-165.7	-30	0	0	0	109.9	G67 V70 Q74 V75 I76 Y172	G67-N72 PolarHBondContact O-N 3.44Å; V70-N72 PolarHBondContact O-N 2.85Å; V70-N72 VanDerWaalsContact O-N 3.16Å; N72-Q74 PolarHBondContact O-N 3.44Å; N72-Q74 VanDerWaalsContact O-N 3.09Å; N72-Q74 PolarHBondContact OD1-N 3.07Å; N72-V75 HydrophobicContact CB-CB 4.39Å; N72-V75 HydrophobicContact CB-CG2 4.13Å; N72-V75 PolarHBondContact O-N 2.94Å; N72-V75 VanDerWaalsContact O-N 3.07Å; N72-I76 PolarHBondContact O-N 3.06Å; N72-Y172 VanDerWaalsContact CG-OH 3.27Å; N72-Y172 WeakPolarHBondContact ND2-CE1 3.31Å; N72-Y172 PolarHBondContact ND2-OH 3.07Å; N72-Y172 VanDerWaalsContact ND2-OH 3.08Å; N72-Y172 PolarHBondContact OD1-OH 3.26Å
73	W	75.5	Confident	68.6	Low	175 Å²	175	57.5 Å²	57.5	66%	0.663	29%	0.29	S	S	*	.	H	α-helix	trans	-57.4	-28.3	-174.8	72.8	-93.1	0	0	0	113.7	I76 A77	W73-I76 PolarHBondContact O-N 3.32Å; W73-A77 HydrophobicContact CE3-CB 4.5Å; W73-A77 WeakPolarHBondContact O-CB 3.43Å; W73-A77 PolarHBondContact O-N 3.39Å
74	Q	73.5	Confident	68.8	Low	55 Å²	55	60.2 Å²	60.2	26%	0.257	31%	0.306	S	S	.	.	H	α-helix	trans	-69.2	-40.5	179.3	-62.2	-173.8	-6.5	0	0	111.6	N72 I76 A77 V78 Y172	N72-Q74 PolarHBondContact O-N 3.44Å; N72-Q74 VanDerWaalsContact O-N 3.09Å; N72-Q74 PolarHBondContact OD1-N 3.07Å; Q74-I76 VanDerWaalsContact C-N 3.33Å; Q74-A77 PolarHBondContact O-N 3.23Å; Q74-V78 WeakPolarHBondContact O-CG2 3.29Å; Q74-V78 PolarHBondContact O-N 3.28Å; Q74-Y172 PolarHBondContact OE1-OH 3.42Å
75	V	65.7	Low	68.8	Low	11 Å²	11	63.8 Å²	63.8	7%	0.067	33%	0.328	C	S	.	.	H	α-helix	trans	-67.2	-39.6	176.5	-179.5	0	0	0	0	110	W63 Y66 N72 N79 Y172 L181	W63-V75 HydrophobicContact CE3-CG1 4.09Å; Y66-V75 HydrophobicContact CD1-CG1 4.41Å; N72-V75 HydrophobicContact CB-CB 4.39Å; N72-V75 HydrophobicContact CB-CG2 4.13Å; N72-V75 PolarHBondContact O-N 2.94Å; N72-V75 VanDerWaalsContact O-N 3.07Å; V75-N79 WeakPolarHBondContact CG1-ND2 3.38Å; V75-N79 WeakPolarHBondContact O-CB 3.06Å; V75-N79 PolarHBondContact O-N 3.23Å; V75-N79 VanDerWaalsContact O-N 3.14Å; V75-N79 PolarHBondContact O-ND2 3.31Å; V75-Y172 HydrophobicContact CG2-CE1 4.34Å; V75-L181 HydrophobicContact CG2-CD1 3.85Å
76	I	70.1	Confident	68.8	Low	38 Å²	38	62.9 Å²	62.9	20%	0.195	32%	0.323	C	S	.	.	H	α-helix	trans	-61.9	-47.3	174.3	-56.6	171.9	0	0	0	110.4	F34 Y68 N72 W73 Q74 G80	F34-I76 HydrophobicContact CE2-CG2 4.01Å; F34-I76 HydrophobicContact CZ-CG2 4.5Å; Y68-I76 HydrophobicContact CD2-CD1 4.39Å; N72-I76 PolarHBondContact O-N 3.06Å; W73-I76 PolarHBondContact O-N 3.32Å; Q74-I76 VanDerWaalsContact C-N 3.33Å; I76-G80 VanDerWaalsContact O-CA 3.3Å; I76-G80 WeakPolarHBondContact O-CA 3.43Å; I76-G80 PolarHBondContact O-N 3.11Å
77	A	71.9	Confident	68.7	Low	52 Å²	52	61.7 Å²	61.7	43%	0.43	32%	0.32	S	S	.	.	H	α-helix	trans	-64.4	-47.9	-176	0	0	0	0	0	112.2	W73 Q74 G80 L81	W73-A77 HydrophobicContact CE3-CB 4.5Å; W73-A77 WeakPolarHBondContact O-CB 3.43Å; W73-A77 PolarHBondContact O-N 3.39Å; Q74-A77 PolarHBondContact O-N 3.23Å; A77-G80 PolarHBondContact O-N 3.44Å; A77-L81 WeakPolarHBondContact O-CB 2.82Å; A77-L81 PolarHBondContact O-N 3.36Å
78	V	73.7	Confident	69	Low	92 Å²	92	65.6 Å²	65.6	56%	0.558	34%	0.344	S	S	*	.	H	α-helix	trans	-66.3	-47.2	-177.7	173.1	0	0	0	0	111.1	Q74 L82	Q74-V78 WeakPolarHBondContact O-CG2 3.29Å; Q74-V78 PolarHBondContact O-N 3.28Å; V78-L82 WeakPolarHBondContact O-CB 3.48Å; V78-L82 PolarHBondContact O-N 3.33Å
79	N	71.4	Confident	68.9	Low	23 Å²	23	65.1 Å²	65.1	12%	0.123	35%	0.349	C	S	.	.	H	α-helix	trans	-74.6	-31	-179.6	-66.3	-74.1	0	0	0	111.9	W63 S64 V75 L82 T83	W63-N79 HydrophobicContact CB-CB 4.01Å; W63-N79 VanDerWaalsContact CB-CG 3.42Å; W63-N79 WeakPolarHBondContact CB-OD1 3.36Å; S64-N79 WeakPolarHBondContact OG-CB 3.36Å; V75-N79 WeakPolarHBondContact CG1-ND2 3.38Å; V75-N79 WeakPolarHBondContact O-CB 3.06Å; V75-N79 PolarHBondContact O-N 3.23Å; V75-N79 VanDerWaalsContact O-N 3.14Å; V75-N79 PolarHBondContact O-ND2 3.31Å; N79-L82 PolarHBondContact O-N 3.41Å; N79-T83 PolarHBondContact O-N 3.15Å; N79-T83 PolarHBondContact O-OG1 3.36Å
80	G	68.1	Low	68.6	Low	11 Å²	11	58.5 Å²	58.5	11%	0.113	32%	0.32	C	S	.	.	H	α-helix	trans	-58.6	-50.9	172	0	0	0	0	0	111.4	S64 I76 A77 L82 T83 I84	S64-G80 PolarHBondContact OG-N 3.43Å; I76-G80 VanDerWaalsContact O-CA 3.3Å; I76-G80 WeakPolarHBondContact O-CA 3.43Å; I76-G80 PolarHBondContact O-N 3.11Å; A77-G80 PolarHBondContact O-N 3.44Å; G80-L82 VanDerWaalsContact C-N 3.35Å; G80-L82 PolarHBondContact O-N 3.24Å; G80-T83 WeakPolarHBondContact O-CB 3.33Å; G80-T83 PolarHBondContact O-N 3.31Å; G80-I84 WeakPolarHBondContact O-CG1 3.18Å; G80-I84 PolarHBondContact O-N 3.12Å; G80-I84 VanDerWaalsContact O-N 3.09Å
81	L	72.2	Confident	68.6	Low	118 Å²	118	58.3 Å²	58.3	62%	0.618	32%	0.318	S	S	*	.	H	α-helix	trans	-62.3	-41.8	177.2	-162.6	117.5	0	0	0	112	A77 T83 I84 V85	A77-L81 WeakPolarHBondContact O-CB 2.82Å; A77-L81 PolarHBondContact O-N 3.36Å; L81-T83 VanDerWaalsContact C-N 3.26Å; L81-T83 PolarHBondContact O-N 2.94Å; L81-I84 PolarHBondContact O-N 3.47Å; L81-I84 VanDerWaalsContact O-N 3.16Å; L81-V85 WeakPolarHBondContact O-CG2 3.43Å; L81-V85 PolarHBondContact O-N 2.97Å
82	L	68.4	Low	68.5	Low	73 Å²	73	54.9 Å²	54.9	38%	0.382	31%	0.305	S	S	.	.	H	α-helix	trans	-61	-37.2	176.7	-161.3	71.5	0	0	0	112	V78 N79 G80 V85 N86	V78-L82 WeakPolarHBondContact O-CB 3.48Å; V78-L82 PolarHBondContact O-N 3.33Å; N79-L82 PolarHBondContact O-N 3.41Å; G80-L82 VanDerWaalsContact C-N 3.35Å; G80-L82 PolarHBondContact O-N 3.24Å; L82-V85 PolarHBondContact O-N 3.35Å; L82-N86 WeakPolarHBondContact O-CB 3.41Å; L82-N86 PolarHBondContact O-N 2.81Å; L82-N86 PolarHBondContact O-ND2 2.69Å; L82-N86 VanDerWaalsContact O-ND2 3.13Å
83	T	66	Low	68.2	Low	0 Å²	0	57.8 Å²	57.8	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-67.7	-38.6	176.6	-44.1	0	0	0	0	111.4	W37 Q41 I57 S60 I61 N79 G80 L81 S87	W37-T83 HydrophobicContact CH2-CG2 3.83Å; W37-T83 HydrophobicContact CZ2-CG2 3.84Å; Q41-T83 HydrophobicContact CG-CG2 4.23Å; I57-T83 HydrophobicContact CG2-CG2 4.07Å; S60-T83 WeakPolarHBondContact CB-OG1 3.42Å; I61-T83 HydrophobicContact CG1-CG2 3.87Å; N79-T83 PolarHBondContact O-N 3.15Å; N79-T83 PolarHBondContact O-OG1 3.36Å; G80-T83 WeakPolarHBondContact O-CB 3.33Å; G80-T83 PolarHBondContact O-N 3.31Å; L81-T83 VanDerWaalsContact C-N 3.26Å; L81-T83 PolarHBondContact O-N 2.94Å; T83-S87 WeakPolarHBondContact O-CB 3.18Å; T83-S87 PolarHBondContact O-N 3.09Å; T83-S87 PolarHBondContact O-OG 2.84Å
84	I	70.2	Confident	67.6	Low	87 Å²	87	53 Å²	53	45%	0.446	31%	0.307	S	S	.	.	H	α-helix	trans	-63.6	-50.1	174.8	-64.3	169.9	0	0	0	110	W37 G80 L81 N86 S87 V88	W37-I84 HydrophobicContact CZ2-CG1 3.94Å; G80-I84 WeakPolarHBondContact O-CG1 3.18Å; G80-I84 PolarHBondContact O-N 3.12Å; G80-I84 VanDerWaalsContact O-N 3.09Å; L81-I84 PolarHBondContact O-N 3.47Å; L81-I84 VanDerWaalsContact O-N 3.16Å; I84-N86 VanDerWaalsContact C-N 3.35Å; I84-N86 PolarHBondContact O-N 3.14Å; I84-S87 WeakPolarHBondContact CA-OG 3.38Å; I84-S87 PolarHBondContact O-N 3.06Å; I84-S87 PolarHBondContact O-OG 3.23Å; I84-V88 WeakPolarHBondContact O-CG2 3.26Å; I84-V88 PolarHBondContact O-N 3.34Å
85	V	67	Low	67.3	Low	75 Å²	75	55.7 Å²	55.7	46%	0.455	32%	0.322	S	S	.	.	H	α-helix	trans	-60.6	-45.8	-179.6	175.2	0	0	0	0	111	L81 L82 S87 V88 V89	L81-V85 WeakPolarHBondContact O-CG2 3.43Å; L81-V85 PolarHBondContact O-N 2.97Å; L82-V85 PolarHBondContact O-N 3.35Å; V85-S87 VanDerWaalsContact C-N 3.33Å; V85-S87 PolarHBondContact O-N 3.12Å; V85-V88 PolarHBondContact O-N 3.5Å; V85-V89 WeakPolarHBondContact O-CG2 3.5Å; V85-V89 PolarHBondContact O-N 3.14Å
86	N	67.2	Low	66.9	Low	36 Å²	36	62.9 Å²	62.9	19%	0.193	35%	0.349	C	S	.	.	H	α-helix	trans	-65.8	-34.8	179.3	-72	-28.4	0	0	0	112.8	I57 L82 I84 V89 L90	I57-N86 HydrophobicContact CG1-CB 3.83Å; L82-N86 WeakPolarHBondContact O-CB 3.41Å; L82-N86 PolarHBondContact O-N 2.81Å; L82-N86 PolarHBondContact O-ND2 2.69Å; L82-N86 VanDerWaalsContact O-ND2 3.13Å; I84-N86 VanDerWaalsContact C-N 3.35Å; I84-N86 PolarHBondContact O-N 3.14Å; N86-V89 PolarHBondContact O-N 3.13Å; N86-L90 WeakPolarHBondContact O-CB 3.25Å; N86-L90 PolarHBondContact O-N 3.35Å
87	S	63.4	Low	66.2	Low	11 Å²	11	66.2 Å²	66.2	8%	0.077	36%	0.359	C	S	.	.	H	α-helix	trans	-71.7	-35.1	176.5	58	0	0	0	0	112.5	T83 I84 V85 L90 V91	T83-S87 WeakPolarHBondContact O-CB 3.18Å; T83-S87 PolarHBondContact O-N 3.09Å; T83-S87 PolarHBondContact O-OG 2.84Å; I84-S87 WeakPolarHBondContact CA-OG 3.38Å; I84-S87 PolarHBondContact O-N 3.06Å; I84-S87 PolarHBondContact O-OG 3.23Å; V85-S87 VanDerWaalsContact C-N 3.33Å; V85-S87 PolarHBondContact O-N 3.12Å; S87-L90 PolarHBondContact O-N 3.16Å; S87-V91 VanDerWaalsContact O-CG2 3.3Å; S87-V91 WeakPolarHBondContact O-CG2 3.48Å; S87-V91 PolarHBondContact O-N 3.26Å
88	V	67	Low	65.2	Low	82 Å²	82	70.2 Å²	70.2	50%	0.497	37%	0.372	S	S	.	.	H	α-helix	trans	-62.5	-46.4	170.8	173.1	0	0	0	0	110.9	I84 V85 L90 V91 C92	I84-V88 WeakPolarHBondContact O-CG2 3.26Å; I84-V88 PolarHBondContact O-N 3.34Å; V85-V88 PolarHBondContact O-N 3.5Å; V88-L90 VanDerWaalsContact C-N 3.32Å; V88-L90 PolarHBondContact O-N 2.97Å; V88-V91 PolarHBondContact O-N 3.44Å; V88-C92 WeakPolarHBondContact O-CB 3.06Å; V88-C92 PolarHBondContact O-N 3.07Å; V88-C92 PolarHBondContact O-SG 3.44Å; V88-C92 VanDerWaalsContact O-SG 3.34Å
89	V	65.2	Low	63.9	Low	67 Å²	67	76.7 Å²	76.7	41%	0.406	39%	0.386	S	S	.	.	H	α-helix	trans	-59.4	-44.1	176.9	172.8	0	0	0	0	111.1	V85 N86 V91 C92 L93	V85-V89 WeakPolarHBondContact O-CG2 3.5Å; V85-V89 PolarHBondContact O-N 3.14Å; N86-V89 PolarHBondContact O-N 3.13Å; V89-V91 PolarHBondContact O-N 3.18Å; V89-C92 PolarHBondContact O-N 2.97Å; V89-L93 HydrophobicContact CG1-CD1 3.92Å; V89-L93 HydrophobicContact CG1-CG 4.48Å; V89-L93 WeakPolarHBondContact O-CB 3.35Å; V89-L93 WeakPolarHBondContact O-CG 3.39Å; V89-L93 PolarHBondContact O-N 2.95Å
90	L	62.3	Low	62.1	Low	3 Å²	3	82.9 Å²	82.9	2%	0.016	41%	0.412	C	S	.	.	H	α-helix	trans	-59	-47.5	175.9	-179	73	0	0	0	111.5	S48 E53 I57 N86 S87 V88 C92 L93 I94	S48-L90 WeakPolarHBondContact OG-CD1 3.46Å; E53-L90 HydrophobicContact CB-CD1 4.2Å; E53-L90 WeakPolarHBondContact OE2-CD1 3.48Å; I57-L90 HydrophobicContact CD1-CB 4.21Å; I57-L90 HydrophobicContact CD1-CD2 3.75Å; I57-L90 HydrophobicContact CD1-CG 4.46Å; N86-L90 WeakPolarHBondContact O-CB 3.25Å; N86-L90 PolarHBondContact O-N 3.35Å; S87-L90 PolarHBondContact O-N 3.16Å; V88-L90 VanDerWaalsContact C-N 3.32Å; V88-L90 PolarHBondContact O-N 2.97Å; L90-C92 PolarHBondContact O-N 3.35Å; L90-L93 PolarHBondContact O-N 2.95Å; L90-I94 HydrophobicContact CD1-CD1 4.43Å; L90-I94 HydrophobicContact CD2-CD1 4.49Å; L90-I94 HydrophobicContact CG-CD1 3.99Å; L90-I94 VanDerWaalsContact O-CG1 3.28Å; L90-I94 WeakPolarHBondContact O-CG1 3.46Å; L90-I94 PolarHBondContact O-N 3.41Å
91	V	66.1	Low	60.6	Low	60 Å²	60	89.1 Å²	89.1	36%	0.364	45%	0.448	S	S	.	.	H	α-helix	trans	-61.7	-44.9	177.9	170.7	0	0	0	0	110.8	S87 V88 V89 L93 I94 I95	S87-V91 VanDerWaalsContact O-CG2 3.3Å; S87-V91 WeakPolarHBondContact O-CG2 3.48Å; S87-V91 PolarHBondContact O-N 3.26Å; V88-V91 PolarHBondContact O-N 3.44Å; V89-V91 PolarHBondContact O-N 3.18Å; V91-L93 VanDerWaalsContact C-N 3.32Å; V91-L93 PolarHBondContact O-N 3.42Å; V91-I94 PolarHBondContact O-N 2.95Å; V91-I95 HydrophobicContact CG1-CD1 3.82Å; V91-I95 HydrophobicContact CG1-CG1 4.49Å; V91-I95 VanDerWaalsContact O-CG1 3.31Å; V91-I95 WeakPolarHBondContact O-CG1 3.17Å; V91-I95 PolarHBondContact O-N 3.48Å
92	C	65.8	Low	58.8	Low	72 Å²	72	91.2 Å²	91.2	49%	0.486	45%	0.454	S	S	.	.	H	α-helix	trans	-58.7	-43.2	175.4	-72.5	0	0	0	0	111.8	V88 V89 L90 I95 Y96	V88-C92 WeakPolarHBondContact O-CB 3.06Å; V88-C92 PolarHBondContact O-N 3.07Å; V88-C92 PolarHBondContact O-SG 3.44Å; V88-C92 VanDerWaalsContact O-SG 3.34Å; V89-C92 PolarHBondContact O-N 2.97Å; L90-C92 PolarHBondContact O-N 3.35Å; C92-I95 PolarHBondContact O-N 3.42Å; C92-Y96 VanDerWaalsContact O-CB 3.25Å; C92-Y96 WeakPolarHBondContact O-CB 3.21Å; C92-Y96 PolarHBondContact O-N 3.39Å
93	L	60.5	Low	56.9	Low	72 Å²	72	98.7 Å²	98.7	38%	0.377	48%	0.478	S	S	.	.	H	α-helix	trans	-68.7	-38	178	-76.3	169.4	0	0	0	112.8	E53 V89 L90 V91 Y96 R97	E53-L93 WeakPolarHBondContact OE1-CD1 3.42Å; V89-L93 HydrophobicContact CG1-CD1 3.92Å; V89-L93 HydrophobicContact CG1-CG 4.48Å; V89-L93 WeakPolarHBondContact O-CB 3.35Å; V89-L93 WeakPolarHBondContact O-CG 3.39Å; V89-L93 PolarHBondContact O-N 2.95Å; L90-L93 PolarHBondContact O-N 2.95Å; V91-L93 VanDerWaalsContact C-N 3.32Å; V91-L93 PolarHBondContact O-N 3.42Å; L93-Y96 PolarHBondContact O-N 3.46Å; L93-R97 VanDerWaalsContact O-CB 3.26Å; L93-R97 WeakPolarHBondContact O-CB 3.47Å; L93-R97 PolarHBondContact O-N 2.88Å
94	I	64	Low	55.2	Low	75 Å²	75	104.2 Å²	104.2	39%	0.385	51%	0.511	S	S	.	.	H	α-helix	trans	-59.9	-49.8	173.1	-70.3	166.8	0	0	0	109.9	L90 V91 Y96 R97 I98	L90-I94 HydrophobicContact CD1-CD1 4.43Å; L90-I94 HydrophobicContact CD2-CD1 4.49Å; L90-I94 HydrophobicContact CG-CD1 3.99Å; L90-I94 VanDerWaalsContact O-CG1 3.28Å; L90-I94 WeakPolarHBondContact O-CG1 3.46Å; L90-I94 PolarHBondContact O-N 3.41Å; V91-I94 PolarHBondContact O-N 2.95Å; I94-Y96 VanDerWaalsContact C-N 3.33Å; I94-Y96 PolarHBondContact O-N 3.5Å; I94-R97 PolarHBondContact O-N 3.04Å; I94-I98 HydrophobicContact CG2-CD1 4.46Å; I94-I98 WeakPolarHBondContact O-CG1 3.06Å; I94-I98 PolarHBondContact O-N 3.24Å
95	I	66.4	Low	53.2	Low	112 Å²	112	108.2 Å²	108.2	57%	0.574	53%	0.53	S	S	*	.	H	α-helix	trans	-61	-43.6	178.2	-66.5	167.7	0	0	0	110.7	V91 C92	V91-I95 HydrophobicContact CG1-CD1 3.82Å; V91-I95 HydrophobicContact CG1-CG1 4.49Å; V91-I95 VanDerWaalsContact O-CG1 3.31Å; V91-I95 WeakPolarHBondContact O-CG1 3.17Å; V91-I95 PolarHBondContact O-N 3.48Å; C92-I95 PolarHBondContact O-N 3.42Å
96	Y	58.2	Low	51.4	Low	161 Å²	161	112.8 Å²	112.8	63%	0.631	55%	0.551	S	S	*	*	H	α-helix	trans	-67	-37.5	-179.3	-163	-93.5	0	0	0	112.2	C92 L93 I94 R99	C92-Y96 VanDerWaalsContact O-CB 3.25Å; C92-Y96 WeakPolarHBondContact O-CB 3.21Å; C92-Y96 PolarHBondContact O-N 3.39Å; L93-Y96 PolarHBondContact O-N 3.46Å; I94-Y96 VanDerWaalsContact C-N 3.33Å; I94-Y96 PolarHBondContact O-N 3.5Å; Y96-R99 PolarHBondContact O-N 3.25Å
97	R	54.7	Low	49.5	Very low	108 Å²	108	119.9 Å²	119.9	41%	0.408	58%	0.581	S	S	.	*	H	α-helix	trans	-75.3	-24.7	-177.9	-150.7	178.5	-170.8	-161.4	-0.8	113.3	H50 L93 I94 R99 K100	H50-R97 PolarHBondContact CE1-NH1 3.31Å; H50-R97 PolarHBondContact NE2-NH1 3Å; L93-R97 VanDerWaalsContact O-CB 3.26Å; L93-R97 WeakPolarHBondContact O-CB 3.47Å; L93-R97 PolarHBondContact O-N 2.88Å; I94-R97 PolarHBondContact O-N 3.04Å; R97-R99 PolarHBondContact O-N 3.34Å; R97-K100 CarbonylContact O-C 3.56Å; R97-K100 PolarHBondContact O-N 2.87Å
98	I	52.1	Low	47.7	Very low	137 Å²	137	123.3 Å²	123.3	70%	0.703	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.9	-22.3	169.8	-69	166.3	0	0	0	111.3	I94	I94-I98 HydrophobicContact CG2-CD1 4.46Å; I94-I98 WeakPolarHBondContact O-CG1 3.06Å; I94-I98 PolarHBondContact O-N 3.24Å
99	R	46.3	Very low	46	Very low	228 Å²	228	121.7 Å²	121.7	86%	0.86	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	-14.6	176	-83.1	-176.8	166.4	169.9	-3	116.2	Y96 R97	Y96-R99 PolarHBondContact O-N 3.25Å; R97-R99 PolarHBondContact O-N 3.34Å
100	K	33.8	Very low	44.2	Very low	152 Å²	152	123.1 Å²	123.1	66%	0.661	62%	0.618	S	S	*	*			trans	-129.1	94.8	178.7	-83.3	-170.4	174.4	-176.9	0	110.3	R97 E102	R97-K100 CarbonylContact O-C 3.56Å; R97-K100 PolarHBondContact O-N 2.87Å; K100-E102 PolarHBondContact O-N 3.22Å; K100-E102 VanDerWaalsContact O-N 3.12Å
101	V	34.8	Very low	42.5	Very low	142 Å²	142	129.7 Å²	129.7	86%	0.861	65%	0.653	S	S	*	*			trans	-60.5	107.6	158.6	176.4	0	0	0	0	106.9
102	E	35.4	Very low	41.1	Very low	163 Å²	163	132.1 Å²	132.1	76%	0.762	67%	0.668	S	S	*	*			trans	-167.5	151.1	140	-109.9	174.4	-171.2	0	0	114.2	K100	K100-E102 PolarHBondContact O-N 3.22Å; K100-E102 VanDerWaalsContact O-N 3.12Å
103	R	28.4	Very low	39.5	Very low	230 Å²	230	137.4 Å²	137.4	87%	0.868	68%	0.683	S	S	*	*			trans	-66.4	135.9	-170.6	-63.4	162.8	169.7	179.1	-3.3	111.5
104	T	30.4	Very low	37.9	Very low	116 Å²	116	142.3 Å²	142.3	71%	0.712	70%	0.702	S	S	*	*			trans	-168.9	122.8	142	19.7	0	0	0	0	113.9
105	M	28.3	Very low	36.3	Very low	170 Å²	170	147.7 Å²	147.7	84%	0.837	72%	0.723	S	S	*	*			trans	59.1	95.6	149.5	-63.4	-167.1	-156.9	0	0	121.2
106	L	29	Very low	34.6	Very low	172 Å²	172	145.7 Å²	145.7	90%	0.901	72%	0.719	S	S	*	*			trans	-77.1	105.4	153.9	-157.8	124.8	0	0	0	108.2
107	F	26.9	Very low	33.3	Very low	184 Å²	184	142.8 Å²	142.8	81%	0.807	72%	0.718	S	S	*	*			trans	-152	123.5	163.9	-97	-76.8	0	0	0	111.3
108	A	26.5	Very low	32.1	Very low	83 Å²	83	145.5 Å²	145.5	69%	0.686	74%	0.735	S	S	*	*			trans	59.3	90.1	153.5	0	0	0	0	0	119.8
109	A	30.8	Very low	30.8	Very low	49 Å²	49	146.1 Å²	146.1	41%	0.405	74%	0.74	S	S	.	*			trans	-167.2	49.4	140.2	0	0	0	0	0	111.8
110	S	26.9	Very low	29.9	Very low	96 Å²	96	139.4 Å²	139.4	67%	0.671	73%	0.727	S	S	*	*	S	Bend	trans	-85.3	150	143.6	51.4	0	0	0	0	106.7
111	D	27.3	Very low	29.4	Very low	142 Å²	142	135.3 Å²	135.3	76%	0.759	73%	0.728	S	S	*	*	S	Bend	trans	92.9	30.3	171.2	-48	-21.4	0	0	0	119.4
112	T	36.4	Very low	28.9	Very low	111 Å²	111	135.8 Å²	135.8	68%	0.681	73%	0.726	S	S	*	*	S	Bend	trans	-137.4	8.7	162.9	-12.4	0	0	0	0	116.4
113	F	32.1	Very low	28.5	Very low	182 Å²	182	136.2 Å²	136.2	80%	0.798	73%	0.733	S	S	*	*	S	Bend	trans	-104.7	-12.9	173	-145.1	-96.3	0	0	0	113.8
114	F	28	Very low	28.6	Very low	175 Å²	175	132.6 Å²	132.6	77%	0.768	73%	0.725	S	S	*	*	S	Bend	trans	-92.6	-7.5	176.9	-106.7	-87.8	0	0	0	114.5
115	F	29	Very low	28.5	Very low	188 Å²	188	131.2 Å²	131.2	83%	0.825	72%	0.716	S	S	*	*	S	Bend	trans	-96.2	-0.1	-176.9	-117.7	-82.4	0	0	0	115.1
116	S	30.9	Very low	28.5	Very low	70 Å²	70	130.1 Å²	130.1	49%	0.49	71%	0.714	S	S	.	*	S	Bend	trans	-111.1	-0.8	-178.7	-160	0	0	0	0	114.3
117	T	30.8	Very low	28.5	Very low	101 Å²	101	123.4 Å²	123.4	62%	0.62	69%	0.686	S	S	*	*	S	Bend	trans	-103.6	-8.6	-177.2	50.8	0	0	0	0	114.4
118	E	29.9	Very low	28.6	Very low	164 Å²	164	119.2 Å²	119.2	77%	0.766	68%	0.679	S	S	*	*	S	Bend	trans	-96.5	-7.1	-176.2	-78.8	-171.5	154.3	0	0	115.5
119	N	25.8	Very low	28.7	Very low	150 Å²	150	118.4 Å²	118.4	80%	0.802	67%	0.668	S	S	*	*	S	Bend	trans	-126.5	26	-172.2	-82.5	-31.8	0	0	0	116.2
120	C	25.6	Very low	29	Very low	88 Å²	88	119.3 Å²	119.3	60%	0.595	67%	0.668	S	S	*	*			trans	-130.5	72	171.6	-79.5	0	0	0	0	111.5	V125	C120-V125 HydrophobicContact CB-CG2 3.68Å
121	G	24.2	Very low	29.2	Very low	66 Å²	66	116.5 Å²	116.5	68%	0.68	65%	0.654	S	S	*	*			trans	-61.6	137.9	150.5	0	0	0	0	0	109.2
122	N	24.3	Very low	29.5	Very low	152 Å²	152	119.1 Å²	119.1	81%	0.813	66%	0.655	S	S	*	*	S	Bend	trans	88.5	86.3	173.9	-48.2	-31.8	0	0	0	116.1	H124	N122-H124 PolarHBondContact O-N 2.96Å
123	L	27.2	Very low	29.4	Very low	172 Å²	172	116.5 Å²	116.5	90%	0.901	64%	0.644	S	S	*	*	S	Bend		49.2	42.5	128.5	-144.5	83.4	0	0	0	117.8
124	H	29.6	Very low	29.8	Very low	153 Å²	153	108.9 Å²	108.9	71%	0.708	61%	0.614	S	S	*	*			trans	-157.7	39.6	162.1	-112.7	65.7	0	0	0	111.3	N122	N122-H124 PolarHBondContact O-N 2.96Å
125	V	28.3	Very low	30.2	Very low	88 Å²	88	103.5 Å²	103.5	53%	0.533	59%	0.593	S	S	.	*	T	Hydrogen-bonded Turn	trans	-103.6	36.7	-170.4	-168.4	0	0	0	0	112.5	C120	C120-V125 HydrophobicContact CB-CG2 3.68Å
126	D	29.1	Very low	30.4	Very low	146 Å²	146	103.4 Å²	103.4	78%	0.781	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.5	2.8	173.8	-87.4	-29.7	0	0	0	114.7
127	G	28.3	Very low	30.7	Very low	31 Å²	31	102.9 Å²	102.9	32%	0.32	58%	0.581	S	S	.	*	S	Bend	trans	-123.3	-10.9	-178.3	0	0	0	0	0	116.8	Y180	G127-Y180 WeakPolarHBondContact O-CD1 3.41Å
128	C	28.7	Very low	31	Very low	97 Å²	97	100.2 Å²	100.2	66%	0.655	56%	0.563	S	S	*	*	S	Bend	trans	-125.6	101	-165.7	-83.9	0	0	0	0	111.9
129	S	29.5	Very low	31.2	Very low	65 Å²	65	95.6 Å²	95.6	46%	0.455	55%	0.545	S	S	.	.	S	Bend	trans	155.1	-10.7	147.9	51.2	0	0	0	0	114.6	G131	S129-G131 PolarHBondContact O-N 3.3Å
130	V	36.2	Very low	31.6	Very low	68 Å²	68	91.3 Å²	91.3	41%	0.412	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-3	-176.2	-151.4	0	0	0	0	113.7	L62	L62-V130 HydrophobicContact CB-CG1 4.18Å; L62-V130 HydrophobicContact CD1-CG1 3.42Å; L62-V130 VanDerWaalsContact CD1-CG1 3.42Å; L62-V130 HydrophobicContact CD2-CG1 4.16Å; L62-V130 HydrophobicContact CD2-CG2 4.11Å; L62-V130 HydrophobicContact CG-CG1 4.09Å
131	G	32.9	Very low	32.1	Very low	37 Å²	37	91.1 Å²	91.1	38%	0.381	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-17.5	-178.7	0	0	0	0	0	115.7	S129 S134	S129-G131 PolarHBondContact O-N 3.3Å; G131-S134 PolarHBondContact O-OG 3.29Å; G131-S134 VanDerWaalsContact O-OG 3.07Å
132	Y	33.1	Very low	32.7	Very low	198 Å²	198	88.7 Å²	88.7	78%	0.776	49%	0.492	S	S	*	.	G	3₁₀ helix	trans	-84.6	-18.9	-172.4	-73.8	-78	0	0	0	114.2	S134	Y132-S134 VanDerWaalsContact C-N 3.28Å; Y132-S134 PolarHBondContact O-N 2.97Å
133	A	33.7	Very low	33.3	Very low	55 Å²	55	85.4 Å²	85.4	46%	0.455	48%	0.477	S	S	.	.	G	3₁₀ helix	trans	-78.2	-11.2	179.5	0	0	0	0	0	113.6	Y55 N135	Y55-A133 HydrophobicContact CE1-CB 4.35Å; A133-N135 PolarHBondContact O-N 3.2Å
134	S	40.8	Very low	33.7	Very low	22 Å²	22	82.3 Å²	82.3	15%	0.154	46%	0.459	C	S	.	.	G	3₁₀ helix	trans	-88.2	1.2	-167.8	62.9	0	0	0	0	115.6	G131 Y132 R136 Y188	G131-S134 PolarHBondContact O-OG 3.29Å; G131-S134 VanDerWaalsContact O-OG 3.07Å; Y132-S134 VanDerWaalsContact C-N 3.28Å; Y132-S134 PolarHBondContact O-N 2.97Å; S134-R136 VanDerWaalsContact C-N 3.32Å; S134-Y188 WeakPolarHBondContact CB-OH 3.48Å; S134-Y188 PolarHBondContact OG-OH 3.48Å; S134-Y188 VanDerWaalsContact OG-OH 3.05Å
135	N	37	Very low	34	Very low	63 Å²	63	76.1 Å²	76.1	34%	0.337	43%	0.432	S	S	.	.	H	α-helix	trans	-78.7	-15.2	173.9	-70.7	3.3	0	0	0	112.6	A133 V137 V139 M191	A133-N135 PolarHBondContact O-N 3.2Å; N135-V137 PolarHBondContact O-N 2.73Å; N135-V139 HydrophobicContact CB-CG2 4.23Å; N135-V139 WeakPolarHBondContact O-CB 3.38Å; N135-V139 WeakPolarHBondContact O-CG2 3.48Å; N135-V139 PolarHBondContact O-N 2.92Å; N135-M191 HydrophobicContact CB-SD 4.41Å; N135-M191 WeakPolarHBondContact OD1-CE 3.26Å; N135-M191 PolarHBondContact OD1-SD 2.82Å; N135-M191 VanDerWaalsContact OD1-SD 3.35Å
136	R	32.3	Very low	34.6	Very low	186 Å²	186	76.3 Å²	76.3	70%	0.702	43%	0.429	S	S	*	.	H	α-helix	trans	-78.2	-8.9	-170.2	-74.2	-168.4	178.8	-158.6	2.6	116.8	S134 P140	S134-R136 VanDerWaalsContact C-N 3.32Å; R136-P140 WeakPolarHBondContact O-CD 3.44Å; R136-P140 WeakPolarHBondContact O-CG 3.33Å
137	V	36.9	Very low	35.2	Very low	58 Å²	58	73.8 Å²	73.8	35%	0.352	42%	0.422	S	S	.	.	H	α-helix	trans	-103.9	-33.9	177.4	-175	0	0	0	0	112.2	V52 N135	V52-V137 HydrophobicContact CG1-CG1 4.39Å; V52-V137 HydrophobicContact CG1-CG2 3.76Å; N135-V137 PolarHBondContact O-N 2.73Å
138	I	38.1	Very low	35.8	Very low	46 Å²	46	78 Å²	78	24%	0.236	43%	0.432	C	S	.	.	H	α-helix	trans	-76.3	-38.3	177.7	-64.7	-174	0	0	0	110.8	A142 Y188 K195	I138-A142 VanDerWaalsContact O-CB 3.28Å; I138-A142 WeakPolarHBondContact O-CB 3.28Å; I138-A142 PolarHBondContact O-N 2.77Å; I138-Y188 HydrophobicContact CD1-CD1 3.98Å; I138-Y188 HydrophobicContact CD1-CE1 3.51Å; I138-K195 HydrophobicContact CG2-CD 4.42Å; I138-K195 VanDerWaalsContact CG2-CE 3.44Å; I138-K195 VanDerWaalsContact CG2-NZ 3.33Å; I138-K195 PolarHBondContact O-NZ 3.08Å
139	V	33.7	Very low	36.1	Very low	66 Å²	66	82.3 Å²	82.3	40%	0.4	44%	0.442	S	S	.	.	H	α-helix	trans	-66.7	-45.9	-177.9	175.7	0	0	0	0	113.3	N135 N141 A142 V143	N135-V139 HydrophobicContact CB-CG2 4.23Å; N135-V139 WeakPolarHBondContact O-CB 3.38Å; N135-V139 WeakPolarHBondContact O-CG2 3.48Å; N135-V139 PolarHBondContact O-N 2.92Å; V139-N141 VanDerWaalsContact C-N 3.35Å; V139-N141 PolarHBondContact O-N 3.05Å; V139-A142 PolarHBondContact O-N 3.35Å; V139-V143 HydrophobicContact CG1-CG2 3.92Å; V139-V143 WeakPolarHBondContact O-CB 3.3Å; V139-V143 WeakPolarHBondContact O-CG2 3.31Å; V139-V143 PolarHBondContact O-N 2.9Å
140	P	33.3	Very low	36.2	Very low	60 Å²	60	86.6 Å²	86.6	39%	0.39	45%	0.449	S	S	.	.	H	α-helix	trans	-67.1	-35.8	179.2	24.8	-33.7	0	0	0	112.4	R136 Q144	R136-P140 WeakPolarHBondContact O-CD 3.44Å; R136-P140 WeakPolarHBondContact O-CG 3.33Å; P140-Q144 VanDerWaalsContact O-CB 3.29Å; P140-Q144 WeakPolarHBondContact O-CB 3.44Å; P140-Q144 WeakPolarHBondContact O-CG 3.4Å; P140-Q144 PolarHBondContact O-N 3.41Å
141	N	37	Very low	36.2	Very low	84 Å²	84	87.9 Å²	87.9	45%	0.449	45%	0.452	S	S	.	.	H	α-helix	trans	-68.8	-40.2	173.8	-75	2.3	0	0	0	111	V139 Q144 T145	V139-N141 VanDerWaalsContact C-N 3.35Å; V139-N141 PolarHBondContact O-N 3.05Å; N141-Q144 PolarHBondContact O-N 2.93Å; N141-T145 WeakPolarHBondContact O-CB 3.29Å; N141-T145 PolarHBondContact O-N 3.43Å; N141-T145 PolarHBondContact O-OG1 3.13Å
142	A	37.4	Very low	36.2	Very low	16 Å²	16	92.3 Å²	92.3	13%	0.132	47%	0.467	C	S	.	.	H	α-helix	trans	-60.9	-50.2	174.1	0	0	0	0	0	111.3	I138 V139 Q144 T145 I146 K195	I138-A142 VanDerWaalsContact O-CB 3.28Å; I138-A142 WeakPolarHBondContact O-CB 3.28Å; I138-A142 PolarHBondContact O-N 2.77Å; V139-A142 PolarHBondContact O-N 3.35Å; A142-Q144 VanDerWaalsContact C-N 3.33Å; A142-Q144 PolarHBondContact O-N 3.37Å; A142-T145 WeakPolarHBondContact O-CB 3.41Å; A142-T145 PolarHBondContact O-N 3.45Å; A142-I146 WeakPolarHBondContact O-CD1 3.44Å; A142-I146 WeakPolarHBondContact O-CG1 3.44Å; A142-I146 PolarHBondContact O-N 3.46Å; A142-K195 VanDerWaalsContact CB-CE 3.5Å; A142-K195 HydrophobicContact CB-CG 4.42Å
143	V	35.5	Very low	36.5	Very low	82 Å²	82	89.6 Å²	89.6	50%	0.497	46%	0.46	S	S	.	.	H	α-helix	trans	-63.3	-38.3	-179.9	174.1	0	0	0	0	111.2	V139 T145 S147	V139-V143 HydrophobicContact CG1-CG2 3.92Å; V139-V143 WeakPolarHBondContact O-CB 3.3Å; V139-V143 WeakPolarHBondContact O-CG2 3.31Å; V139-V143 PolarHBondContact O-N 2.9Å; V143-T145 VanDerWaalsContact C-N 3.35Å; V143-S147 VanDerWaalsContact O-CB 3.31Å; V143-S147 WeakPolarHBondContact O-CB 3.41Å; V143-S147 PolarHBondContact O-N 2.95Å
144	Q	36.6	Very low	37	Very low	108 Å²	108	88.9 Å²	88.9	51%	0.505	45%	0.449	S	S	.	.	H	α-helix	trans	-69.8	-29.8	172.6	-81.1	-175.3	-10	0	0	113.3	P140 N141 A142 K148	P140-Q144 VanDerWaalsContact O-CB 3.29Å; P140-Q144 WeakPolarHBondContact O-CB 3.44Å; P140-Q144 WeakPolarHBondContact O-CG 3.4Å; P140-Q144 PolarHBondContact O-N 3.41Å; N141-Q144 PolarHBondContact O-N 2.93Å; A142-Q144 VanDerWaalsContact C-N 3.33Å; A142-Q144 PolarHBondContact O-N 3.37Å; Q144-K148 WeakPolarHBondContact O-CB 3.39Å; Q144-K148 VanDerWaalsContact O-CG 3.3Å; Q144-K148 WeakPolarHBondContact O-CG 3.49Å; Q144-K148 PolarHBondContact O-N 2.91Å; Q144-K148 VanDerWaalsContact O-N 3.08Å
145	T	36.5	Very low	37.2	Very low	23 Å²	23	91.7 Å²	91.7	14%	0.141	47%	0.467	C	S	.	.	H	α-helix	trans	-72.4	-44.2	175.6	-46.9	0	0	0	0	110	N141 A142 V143 K148 Q149 R150	N141-T145 WeakPolarHBondContact O-CB 3.29Å; N141-T145 PolarHBondContact O-N 3.43Å; N141-T145 PolarHBondContact O-OG1 3.13Å; A142-T145 WeakPolarHBondContact O-CB 3.41Å; A142-T145 PolarHBondContact O-N 3.45Å; V143-T145 VanDerWaalsContact C-N 3.35Å; T145-K148 PolarHBondContact O-N 2.7Å; T145-Q149 PolarHBondContact O-N 3.09Å; T145-R150 WeakPolarHBondContact CG2-O 3.4Å
146	I	40.3	Very low	37.1	Very low	92 Å²	92	94 Å²	94	47%	0.472	47%	0.474	S	S	.	.	H	α-helix	trans	-62.1	-44.9	174.9	-63.8	161.4	0	0	0	110.4	A142 K148 E198	A142-I146 WeakPolarHBondContact O-CD1 3.44Å; A142-I146 WeakPolarHBondContact O-CG1 3.44Å; A142-I146 PolarHBondContact O-N 3.46Å; I146-K148 VanDerWaalsContact C-N 3.33Å; I146-K148 PolarHBondContact O-N 3.07Å; I146-E198 WeakPolarHBondContact CG1-OE2 3.49Å
147	S	41	Very low	37.5	Very low	93 Å²	93	89.4 Å²	89.4	65%	0.65	47%	0.469	S	S	*	.	H	α-helix	trans	-74.8	-20	-179.5	121.3	0	0	0	0	113.8	V143	V143-S147 VanDerWaalsContact O-CB 3.31Å; V143-S147 WeakPolarHBondContact O-CB 3.41Å; V143-S147 PolarHBondContact O-N 2.95Å
148	K	40.3	Very low	38.2	Very low	119 Å²	119	89.2 Å²	89.2	52%	0.517	47%	0.469	S	S	.	.	H	α-helix	trans	-108.2	-4.5	-177	-67.1	-174.5	175.7	179.8	0	114.5	Q144 T145 I146 R150	Q144-K148 WeakPolarHBondContact O-CB 3.39Å; Q144-K148 VanDerWaalsContact O-CG 3.3Å; Q144-K148 WeakPolarHBondContact O-CG 3.49Å; Q144-K148 PolarHBondContact O-N 2.91Å; Q144-K148 VanDerWaalsContact O-N 3.08Å; T145-K148 PolarHBondContact O-N 2.7Å; I146-K148 VanDerWaalsContact C-N 3.33Å; I146-K148 PolarHBondContact O-N 3.07Å; K148-R150 WeakPolarHBondContact O-CG 3.34Å; K148-R150 PolarHBondContact O-N 3.46Å
149	Q	35.6	Very low	38.6	Very low	188 Å²	188	88.5 Å²	88.5	88%	0.879	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	43	38.7	-175.7	-80.8	-169.1	-28.4	0	0	113	T145	T145-Q149 PolarHBondContact O-N 3.09Å
150	R	32.1	Very low	39.1	Very low	155 Å²	155	87.9 Å²	87.9	59%	0.585	47%	0.468	S	S	*	.			trans	-128.4	109	177	-72.3	-158.2	-168.3	-164.3	3.8	109.9	T145 K148 D152	T145-R150 WeakPolarHBondContact CG2-O 3.4Å; K148-R150 WeakPolarHBondContact O-CG 3.34Å; K148-R150 PolarHBondContact O-N 3.46Å; R150-D152 PolarHBondContact O-N 2.74Å
151	I	36.9	Very low	39.9	Very low	95 Å²	95	91.2 Å²	91.2	49%	0.487	48%	0.478	S	S	.	.	G	3₁₀ helix	trans	-64.1	-15.2	176.4	-55.1	172.3	0	0	0	111.2	F153 V154 L199	I151-F153 PolarHBondContact O-N 3.23Å; I151-V154 PolarHBondContact O-N 3.41Å; I151-V154 VanDerWaalsContact O-N 3.17Å; I151-L199 HydrophobicContact CB-CD1 4.45Å; I151-L199 HydrophobicContact CD1-CD1 3.97Å; I151-L199 HydrophobicContact CD1-CD2 4.39Å; I151-L199 HydrophobicContact CD1-CG 4.13Å; I151-L199 HydrophobicContact CG1-CD1 3.91Å; I151-L199 HydrophobicContact CG2-CD1 3.79Å; I151-L199 HydrophobicContact CG2-CD2 3.95Å; I151-L199 HydrophobicContact CG2-CG 4.39Å
152	D	31.9	Very low	40.9	Very low	129 Å²	129	91.2 Å²	91.2	69%	0.69	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-58.9	-18	-174.1	-57.8	-28.1	0	0	0	115.3	R150	R150-D152 PolarHBondContact O-N 2.74Å
153	F	38.7	Very low	41.5	Very low	142 Å²	142	92.7 Å²	92.7	62%	0.623	48%	0.481	S	S	*	.	G	3₁₀ helix	trans	-89.5	-8.5	-178.1	-71.6	-75.8	0	0	0	114.6	I151 P155	I151-F153 PolarHBondContact O-N 3.23Å; F153-P155 WeakPolarHBondContact O-CD 3.4Å
154	V	44.9	Very low	42.5	Very low	39 Å²	39	92.9 Å²	92.9	24%	0.236	48%	0.48	C	S	.	.	S	Bend	trans	-119.4	94	-178	-173.8	0	0	0	0	109	I151 F156 V159	I151-V154 PolarHBondContact O-N 3.41Å; I151-V154 VanDerWaalsContact O-N 3.17Å; V154-F156 PolarHBondContact O-N 3.37Å; V154-F156 VanDerWaalsContact O-N 3.11Å; V154-V159 HydrophobicContact CG1-CG2 3.29Å
155	P	45.2	Very low	43.8	Very low	82 Å²	82	92.3 Å²	92.3	53%	0.532	48%	0.479	S	S	.	.			trans	-60	122.2	176.4	18.1	-24.4	0	0	0	109.1	F153 P157 P158	F153-P155 WeakPolarHBondContact O-CD 3.4Å; P155-P157 VanDerWaalsContact C-CD 3.41Å; P155-P158 HydrophobicContact CB-CG 3.83Å; P155-P158 HydrophobicContact CG-CG 3.61Å; P155-P158 WeakPolarHBondContact O-CD 3.44Å; P155-P158 VanDerWaalsContact O-CG 3.24Å; P155-P158 WeakPolarHBondContact O-CG 3.35Å
156	F	35.2	Very low	44.7	Very low	110 Å²	110	92.2 Å²	92.2	48%	0.482	48%	0.477	S	S	.	.	H	α-helix	trans	-56.8	-39.5	-177.2	-142.4	-98.8	0	0	0	113.9	V154 V159 A160 L199 F200	V154-F156 PolarHBondContact O-N 3.37Å; V154-F156 VanDerWaalsContact O-N 3.11Å; F156-V159 PolarHBondContact O-N 2.94Å; F156-A160 PolarHBondContact O-N 3.44Å; F156-L199 HydrophobicContact CD2-CD2 3.99Å; F156-L199 HydrophobicContact CE2-CD2 3.44Å; F156-L199 VanDerWaalsContact CE2-CD2 3.44Å; F156-L199 HydrophobicContact CZ-CD2 4.46Å; F156-F200 HydrophobicContact CE1-CE2 4.44Å; F156-F200 HydrophobicContact CE2-CE2 4.44Å; F156-F200 HydrophobicContact CZ-CD2 4.3Å; F156-F200 AromaticContact CZ-CE2 3.64Å; F156-F200 HydrophobicContact CZ-CE2 3.64Å
157	P	41.4	Very low	45.5	Very low	91 Å²	91	90.3 Å²	90.3	59%	0.591	47%	0.467	S	S	*	.	H	α-helix	trans	-59.9	-48.6	-179	-22	31.6	0	0	0	115.1	P155 V159 A160 Q161	P155-P157 VanDerWaalsContact C-CD 3.41Å; P157-V159 PolarHBondContact O-N 3.3Å; P157-A160 PolarHBondContact O-N 2.94Å; P157-Q161 PolarHBondContact O-N 3.4Å; P157-Q161 VanDerWaalsContact O-N 3.1Å
158	P	51	Low	46.5	Very low	53 Å²	53	91.4 Å²	91.4	34%	0.344	46%	0.462	S	S	.	.	H	α-helix	trans	-67.4	-30	178.4	18.3	-28.8	0	0	0	114	P155 Q161 I162	P155-P158 HydrophobicContact CB-CG 3.83Å; P155-P158 HydrophobicContact CG-CG 3.61Å; P155-P158 WeakPolarHBondContact O-CD 3.44Å; P155-P158 VanDerWaalsContact O-CG 3.24Å; P155-P158 WeakPolarHBondContact O-CG 3.35Å; P158-Q161 PolarHBondContact O-N 2.98Å; P158-I162 WeakPolarHBondContact O-CB 3.35Å; P158-I162 WeakPolarHBondContact O-CD1 3.44Å; P158-I162 WeakPolarHBondContact O-CG1 3.21Å; P158-I162 PolarHBondContact O-N 2.65Å
159	V	46.5	Very low	47.5	Very low	32 Å²	32	88 Å²	88	19%	0.194	45%	0.451	C	S	.	.	H	α-helix	trans	-66.7	-45.1	175.3	179	0	0	0	0	111.2	V154 F156 P157 Q161 I162 F163	V154-V159 HydrophobicContact CG1-CG2 3.29Å; F156-V159 PolarHBondContact O-N 2.94Å; P157-V159 PolarHBondContact O-N 3.3Å; V159-Q161 VanDerWaalsContact C-N 3.3Å; V159-Q161 PolarHBondContact O-N 3.2Å; V159-I162 PolarHBondContact O-N 3.44Å; V159-F163 PolarHBondContact O-N 3.03Å
160	A	44.1	Very low	48.4	Very low	53 Å²	53	79.7 Å²	79.7	44%	0.438	41%	0.414	S	S	.	.	H	α-helix	trans	-63	-37.3	176.6	0	0	0	0	0	112.2	F156 P157 N164	F156-A160 PolarHBondContact O-N 3.44Å; P157-A160 PolarHBondContact O-N 2.94Å; A160-N164 WeakPolarHBondContact O-CB 3.35Å; A160-N164 PolarHBondContact O-N 3.48Å
161	Q	49.5	Very low	49.8	Very low	129 Å²	129	76 Å²	76	60%	0.603	41%	0.405	S	S	*	.	H	α-helix	trans	-66.8	-44.4	174.5	-79.1	-179.9	-46	0	0	112.5	P157 P158 V159 F163 N164 I165	P157-Q161 PolarHBondContact O-N 3.4Å; P157-Q161 VanDerWaalsContact O-N 3.1Å; P158-Q161 PolarHBondContact O-N 2.98Å; V159-Q161 VanDerWaalsContact C-N 3.3Å; V159-Q161 PolarHBondContact O-N 3.2Å; Q161-F163 VanDerWaalsContact C-N 3.31Å; Q161-F163 PolarHBondContact O-N 3.36Å; Q161-N164 PolarHBondContact O-N 2.98Å; Q161-I165 WeakPolarHBondContact O-CB 3.33Å; Q161-I165 WeakPolarHBondContact O-CD1 3.48Å; Q161-I165 VanDerWaalsContact O-CG1 3.24Å; Q161-I165 WeakPolarHBondContact O-CG1 3.3Å; Q161-I165 PolarHBondContact O-N 2.76Å
162	I	57.9	Low	50.8	Low	84 Å²	84	73.6 Å²	73.6	43%	0.431	39%	0.39	S	S	.	.	H	α-helix	trans	-59.7	-45.3	176.7	-70.9	163.3	0	0	0	109.9	P158 V159 N164 I165 E166	P158-I162 WeakPolarHBondContact O-CB 3.35Å; P158-I162 WeakPolarHBondContact O-CD1 3.44Å; P158-I162 WeakPolarHBondContact O-CG1 3.21Å; P158-I162 PolarHBondContact O-N 2.65Å; V159-I162 PolarHBondContact O-N 3.44Å; I162-N164 PolarHBondContact O-N 3.49Å; I162-I165 PolarHBondContact O-N 3.09Å; I162-E166 HydrophobicContact CG2-CG 4.4Å; I162-E166 WeakPolarHBondContact O-CB 3.46Å; I162-E166 WeakPolarHBondContact O-CG 3.36Å; I162-E166 PolarHBondContact O-N 2.85Å
163	F	51.3	Low	51.9	Low	48 Å²	48	67.4 Å²	67.4	21%	0.211	36%	0.357	C	S	.	.	H	α-helix	trans	-62.7	-41.8	177.1	-174.7	-106.3	0	0	0	113.2	V159 Q161 I165 E166 L167	V159-F163 PolarHBondContact O-N 3.03Å; Q161-F163 VanDerWaalsContact C-N 3.31Å; Q161-F163 PolarHBondContact O-N 3.36Å; F163-I165 VanDerWaalsContact C-N 3.32Å; F163-I165 PolarHBondContact O-N 2.9Å; F163-E166 PolarHBondContact O-N 2.88Å; F163-L167 VanDerWaalsContact O-CB 3.26Å; F163-L167 WeakPolarHBondContact O-CB 3.45Å; F163-L167 PolarHBondContact O-N 3.14Å
164	N	56.1	Low	52.9	Low	86 Å²	86	63.7 Å²	63.7	46%	0.46	34%	0.343	S	S	.	.	H	α-helix	trans	-66.2	-38.6	179.2	-162.5	21.7	0	0	0	111.3	A160 Q161 I162 Q168	A160-N164 WeakPolarHBondContact O-CB 3.35Å; A160-N164 PolarHBondContact O-N 3.48Å; Q161-N164 PolarHBondContact O-N 2.98Å; I162-N164 PolarHBondContact O-N 3.49Å; N164-Q168 WeakPolarHBondContact O-CB 3.42Å; N164-Q168 VanDerWaalsContact O-CG 3.3Å; N164-Q168 WeakPolarHBondContact O-CG 3.5Å; N164-Q168 PolarHBondContact O-N 2.92Å
165	I	63.7	Low	53.6	Low	95 Å²	95	68.7 Å²	68.7	49%	0.487	37%	0.365	S	S	.	.	H	α-helix	trans	-64	-46.7	173.6	-68.2	164.6	0	0	0	110	Q161 I162 F163 L167 Q168 V169	Q161-I165 WeakPolarHBondContact O-CB 3.33Å; Q161-I165 WeakPolarHBondContact O-CD1 3.48Å; Q161-I165 VanDerWaalsContact O-CG1 3.24Å; Q161-I165 WeakPolarHBondContact O-CG1 3.3Å; Q161-I165 PolarHBondContact O-N 2.76Å; I162-I165 PolarHBondContact O-N 3.09Å; F163-I165 VanDerWaalsContact C-N 3.32Å; F163-I165 PolarHBondContact O-N 2.9Å; I165-L167 VanDerWaalsContact C-N 3.35Å; I165-L167 PolarHBondContact O-N 3.18Å; I165-Q168 PolarHBondContact O-N 3.44Å; I165-V169 HydrophobicContact CG2-CG2 4.33Å; I165-V169 WeakPolarHBondContact O-CB 3.33Å; I165-V169 WeakPolarHBondContact O-CG2 3.29Å; I165-V169 PolarHBondContact O-N 3.41Å
166	E	55.3	Low	54.4	Low	21 Å²	21	67.6 Å²	67.6	10%	0.098	36%	0.357	C	S	.	.	H	α-helix	trans	-67.7	-34.3	179.9	-73.4	-174.4	169.4	0	0	113.2	I162 F163 V169 S170 T185 Y188	I162-E166 HydrophobicContact CG2-CG 4.4Å; I162-E166 WeakPolarHBondContact O-CB 3.46Å; I162-E166 WeakPolarHBondContact O-CG 3.36Å; I162-E166 PolarHBondContact O-N 2.85Å; F163-E166 PolarHBondContact O-N 2.88Å; E166-V169 PolarHBondContact O-N 3.12Å; E166-S170 WeakPolarHBondContact O-CB 3.45Å; E166-S170 PolarHBondContact O-N 3.34Å; E166-S170 PolarHBondContact O-OG 2.83Å; E166-T185 HydrophobicContact CB-CG2 4.17Å; E166-T185 HydrophobicContact CG-CG2 4.39Å; E166-T185 WeakPolarHBondContact O-CG2 3.08Å; E166-Y188 WeakPolarHBondContact OE1-CB 3.32Å; E166-Y188 VanDerWaalsContact OE1-CD1 3.26Å; E166-Y188 WeakPolarHBondContact OE1-CD1 3.5Å; E166-Y188 WeakPolarHBondContact OE2-CB 3.43Å
167	L	56.8	Low	55.6	Low	52 Å²	52	70 Å²	70	27%	0.272	37%	0.367	S	S	.	.	H	α-helix	trans	-65.3	-45.3	172.8	-170.8	78	0	0	0	110.7	F163 I165 V169 S170 I171 F207	F163-L167 VanDerWaalsContact O-CB 3.26Å; F163-L167 WeakPolarHBondContact O-CB 3.45Å; F163-L167 PolarHBondContact O-N 3.14Å; I165-L167 VanDerWaalsContact C-N 3.35Å; I165-L167 PolarHBondContact O-N 3.18Å; L167-V169 VanDerWaalsContact C-N 3.33Å; L167-V169 PolarHBondContact O-N 3.16Å; L167-S170 WeakPolarHBondContact O-CB 3.46Å; L167-S170 PolarHBondContact O-N 2.95Å; L167-I171 HydrophobicContact CG-CD1 4.18Å; L167-I171 VanDerWaalsContact O-CG1 3.29Å; L167-I171 WeakPolarHBondContact O-CG1 3.35Å; L167-I171 PolarHBondContact O-N 3.2Å; L167-F207 HydrophobicContact CD1-CE2 4.08Å
168	Q	61.7	Low	56	Low	117 Å²	117	66.5 Å²	66.5	55%	0.547	34%	0.344	S	S	.	.	H	α-helix	trans	-62.5	-41.1	176.1	-76.7	177.7	5.6	0	0	111.8	N164 I165 I171 Y172	N164-Q168 WeakPolarHBondContact O-CB 3.42Å; N164-Q168 VanDerWaalsContact O-CG 3.3Å; N164-Q168 WeakPolarHBondContact O-CG 3.5Å; N164-Q168 PolarHBondContact O-N 2.92Å; I165-Q168 PolarHBondContact O-N 3.44Å; Q168-I171 PolarHBondContact O-N 2.97Å; Q168-Y172 WeakPolarHBondContact O-CB 3.32Å; Q168-Y172 PolarHBondContact O-N 2.9Å
169	V	60.9	Low	56.1	Low	48 Å²	48	71 Å²	71	29%	0.291	36%	0.355	S	S	.	.	H	α-helix	trans	-68.6	-34.5	177.1	173.7	0	0	0	0	111.6	I165 E166 L167 Y172 S173 L181 T185	I165-V169 HydrophobicContact CG2-CG2 4.33Å; I165-V169 WeakPolarHBondContact O-CB 3.33Å; I165-V169 WeakPolarHBondContact O-CG2 3.29Å; I165-V169 PolarHBondContact O-N 3.41Å; E166-V169 PolarHBondContact O-N 3.12Å; L167-V169 VanDerWaalsContact C-N 3.33Å; L167-V169 PolarHBondContact O-N 3.16Å; V169-Y172 PolarHBondContact O-N 3.27Å; V169-S173 WeakPolarHBondContact O-CB 3.25Å; V169-S173 PolarHBondContact O-N 3.27Å; V169-S173 PolarHBondContact O-OG 3.43Å; V169-L181 HydrophobicContact CG1-CD2 3.24Å; V169-T185 HydrophobicContact CB-CG2 3.86Å; V169-T185 HydrophobicContact CG1-CG2 3.58Å
170	S	56.3	Low	56.4	Low	12 Å²	12	74.6 Å²	74.6	8%	0.084	37%	0.366	C	S	.	.	H	α-helix	trans	-63.9	-46.2	172.1	-56.5	0	0	0	0	111.5	E166 L167 Y172 S173 I174 T185	E166-S170 WeakPolarHBondContact O-CB 3.45Å; E166-S170 PolarHBondContact O-N 3.34Å; E166-S170 PolarHBondContact O-OG 2.83Å; L167-S170 WeakPolarHBondContact O-CB 3.46Å; L167-S170 PolarHBondContact O-N 2.95Å; S170-Y172 VanDerWaalsContact C-N 3.35Å; S170-S173 VanDerWaalsContact CA-OG 3.29Å; S170-S173 WeakPolarHBondContact CA-OG 3.48Å; S170-S173 PolarHBondContact O-N 3.1Å; S170-S173 PolarHBondContact O-OG 2.87Å; S170-I174 VanDerWaalsContact O-CG1 3.31Å; S170-I174 WeakPolarHBondContact O-CG1 3.23Å; S170-I174 PolarHBondContact O-N 3.08Å; S170-T185 WeakPolarHBondContact OG-CB 3.45Å; S170-T185 PolarHBondContact OG-OG1 2.94Å
171	I	60.8	Low	56.9	Low	79 Å²	79	72.4 Å²	72.4	41%	0.405	35%	0.347	S	S	.	.	H	α-helix	trans	-64.8	-43.2	178.3	-66.7	164.9	0	0	0	110	L167 Q168 S173 I174 M175	L167-I171 HydrophobicContact CG-CD1 4.18Å; L167-I171 VanDerWaalsContact O-CG1 3.29Å; L167-I171 WeakPolarHBondContact O-CG1 3.35Å; L167-I171 PolarHBondContact O-N 3.2Å; Q168-I171 PolarHBondContact O-N 2.97Å; I171-S173 PolarHBondContact O-N 3.4Å; I171-I174 PolarHBondContact O-N 2.99Å; I171-M175 WeakPolarHBondContact O-CG 3.38Å; I171-M175 PolarHBondContact O-N 3.41Å
172	Y	56.7	Low	56.7	Low	43 Å²	43	67.8 Å²	67.8	17%	0.169	33%	0.326	C	S	.	.	H	α-helix	trans	-60.9	-43.5	177.2	-177.9	-111.3	0	0	0	112.3	N72 Q74 V75 Q168 V169 S170 I174 M175 V176	N72-Y172 VanDerWaalsContact CG-OH 3.27Å; N72-Y172 WeakPolarHBondContact ND2-CE1 3.31Å; N72-Y172 PolarHBondContact ND2-OH 3.07Å; N72-Y172 VanDerWaalsContact ND2-OH 3.08Å; N72-Y172 PolarHBondContact OD1-OH 3.26Å; Q74-Y172 PolarHBondContact OE1-OH 3.42Å; V75-Y172 HydrophobicContact CG2-CE1 4.34Å; Q168-Y172 WeakPolarHBondContact O-CB 3.32Å; Q168-Y172 PolarHBondContact O-N 2.9Å; V169-Y172 PolarHBondContact O-N 3.27Å; S170-Y172 VanDerWaalsContact C-N 3.35Å; Y172-I174 PolarHBondContact O-N 3.27Å; Y172-M175 WeakPolarHBondContact O-CB 3.36Å; Y172-M175 PolarHBondContact O-N 2.88Å; Y172-M175 VanDerWaalsContact O-N 3.12Å; Y172-V176 HydrophobicContact CD1-CG2 4.41Å; Y172-V176 HydrophobicContact CD2-CG2 4.13Å; Y172-V176 HydrophobicContact CE1-CG2 3.99Å; Y172-V176 HydrophobicContact CE2-CG2 3.63Å; Y172-V176 HydrophobicContact CG-CG2 4.49Å; Y172-V176 WeakPolarHBondContact O-CG2 3.32Å; Y172-V176 PolarHBondContact O-N 3.3Å
173	S	55.9	Low	56.4	Low	0 Å²	0	68.2 Å²	68.2	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-67.1	-34.1	178.7	45.6	0	0	0	0	113.2	V169 S170 I171 K177 D178	V169-S173 WeakPolarHBondContact O-CB 3.25Å; V169-S173 PolarHBondContact O-N 3.27Å; V169-S173 PolarHBondContact O-OG 3.43Å; S170-S173 VanDerWaalsContact CA-OG 3.29Å; S170-S173 WeakPolarHBondContact CA-OG 3.48Å; S170-S173 PolarHBondContact O-N 3.1Å; S170-S173 PolarHBondContact O-OG 2.87Å; I171-S173 PolarHBondContact O-N 3.4Å; S173-K177 PolarHBondContact O-N 3.17Å; S173-K177 VanDerWaalsContact O-N 3.11Å; S173-D178 PolarHBondContact O-N 3.28Å
174	I	59.7	Low	56.3	Low	63 Å²	63	67.7 Å²	67.7	32%	0.323	33%	0.329	S	S	.	.	H	α-helix	trans	-61.9	-44.1	168.9	-66.4	164.1	0	0	0	110.7	S170 I171 Y172 K177 L182 L218	S170-I174 VanDerWaalsContact O-CG1 3.31Å; S170-I174 WeakPolarHBondContact O-CG1 3.23Å; S170-I174 PolarHBondContact O-N 3.08Å; I171-I174 PolarHBondContact O-N 2.99Å; Y172-I174 PolarHBondContact O-N 3.27Å; I174-K177 PolarHBondContact O-N 3.31Å; I174-L182 HydrophobicContact CB-CD1 4.29Å; I174-L182 HydrophobicContact CD1-CD1 4.43Å; I174-L182 HydrophobicContact CG1-CD1 3.34Å; I174-L182 HydrophobicContact CG1-CG 4.24Å; I174-L218 HydrophobicContact CD1-CD1 4.29Å
175	M	58.9	Low	56.2	Low	144 Å²	144	64 Å²	64	71%	0.709	31%	0.309	S	S	*	.	H	α-helix	trans	-67.1	-40.4	-178	-73.1	-172.5	69.9	0	0	113.1	I171 Y172 K177	I171-M175 WeakPolarHBondContact O-CG 3.38Å; I171-M175 PolarHBondContact O-N 3.41Å; Y172-M175 WeakPolarHBondContact O-CB 3.36Å; Y172-M175 PolarHBondContact O-N 2.88Å; Y172-M175 VanDerWaalsContact O-N 3.12Å; M175-K177 PolarHBondContact O-N 3.34Å
176	V	63.7	Low	55.4	Low	59 Å²	59	62.5 Å²	62.5	36%	0.358	30%	0.3	S	S	.	.	H	α-helix	trans	-82.3	-2.9	178.6	-175.5	0	0	0	0	111.8	Y172 D178	Y172-V176 HydrophobicContact CD1-CG2 4.41Å; Y172-V176 HydrophobicContact CD2-CG2 4.13Å; Y172-V176 HydrophobicContact CE1-CG2 3.99Å; Y172-V176 HydrophobicContact CE2-CG2 3.63Å; Y172-V176 HydrophobicContact CG-CG2 4.49Å; Y172-V176 WeakPolarHBondContact O-CG2 3.32Å; Y172-V176 PolarHBondContact O-N 3.3Å; V176-D178 HydrophobicContact CB-CB 4.45Å; V176-D178 HydrophobicContact CG1-CB 4.35Å; V176-D178 PolarHBondContact O-N 2.98Å
177	K	58.3	Low	54.8	Low	161 Å²	161	65.7 Å²	65.7	70%	0.7	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	34.3	-173.4	-59.4	177.7	-179.4	171.3	0	112.5	S173 I174 M175 Y179	S173-K177 PolarHBondContact O-N 3.17Å; S173-K177 VanDerWaalsContact O-N 3.11Å; I174-K177 PolarHBondContact O-N 3.31Å; M175-K177 PolarHBondContact O-N 3.34Å; K177-Y179 WeakPolarHBondContact O-CD2 3.49Å; K177-Y179 PolarHBondContact O-N 2.99Å
178	D	50.1	Low	54.3	Low	18 Å²	18	63.9 Å²	63.9	10%	0.096	31%	0.307	C	S	.	.			trans	-97.2	89.2	-177.5	-162.1	-6	0	0	0	110.3	Y66 S173 V176 Y180 L181 L182	Y66-D178 PolarHBondContact OH-OD1 3.08Å; Y66-D178 PolarHBondContact OH-OD2 2.98Å; S173-D178 PolarHBondContact O-N 3.28Å; V176-D178 HydrophobicContact CB-CB 4.45Å; V176-D178 HydrophobicContact CG1-CB 4.35Å; V176-D178 PolarHBondContact O-N 2.98Å; D178-Y180 VanDerWaalsContact C-N 3.26Å; D178-Y180 PolarHBondContact O-N 3.39Å; D178-L181 HydrophobicContact CB-CB 4.37Å; D178-L181 PolarHBondContact O-N 3.44Å; D178-L182 PolarHBondContact O-N 2.78Å
179	Y	54.4	Low	53.4	Low	148 Å²	148	59.1 Å²	59.1	58%	0.58	29%	0.288	S	S	*	.	H	α-helix	trans	-65.7	-26.5	-172.2	-66.9	-84.2	0	0	0	113.4	K177 L181 L182 V183	K177-Y179 WeakPolarHBondContact O-CD2 3.49Å; K177-Y179 PolarHBondContact O-N 2.99Å; Y179-L181 VanDerWaalsContact C-N 3.29Å; Y179-L181 PolarHBondContact O-N 3.34Å; Y179-L182 PolarHBondContact O-N 3.46Å; Y179-V183 WeakPolarHBondContact O-CG2 3.49Å; Y179-V183 PolarHBondContact O-N 3.3Å
180	Y	52.3	Low	52.6	Low	106 Å²	106	62 Å²	62	42%	0.416	30%	0.3	S	S	.	.	H	α-helix	trans	-65.1	-36.7	177	-69.8	-77.1	0	0	0	112.1	G127 D178	G127-Y180 WeakPolarHBondContact O-CD1 3.41Å; D178-Y180 VanDerWaalsContact C-N 3.26Å; D178-Y180 PolarHBondContact O-N 3.39Å
181	L	54	Low	52	Low	8 Å²	8	62.8 Å²	62.8	4%	0.042	30%	0.303	C	S	.	.	H	α-helix	trans	-78	-30	-177.6	-144.7	141.5	0	0	0	111.2	W63 Y66 V75 V169 D178 Y179 T185	W63-L181 HydrophobicContact CE3-CD1 4.46Å; W63-L181 HydrophobicContact CH2-CB 4.47Å; W63-L181 HydrophobicContact CH2-CD1 4.41Å; W63-L181 HydrophobicContact CH2-CG 4.02Å; W63-L181 HydrophobicContact CZ3-CB 4.45Å; W63-L181 HydrophobicContact CZ3-CD1 3.6Å; W63-L181 HydrophobicContact CZ3-CG 3.65Å; Y66-L181 HydrophobicContact CE1-CD1 3.96Å; V75-L181 HydrophobicContact CG2-CD1 3.85Å; V169-L181 HydrophobicContact CG1-CD2 3.24Å; D178-L181 HydrophobicContact CB-CB 4.37Å; D178-L181 PolarHBondContact O-N 3.44Å; Y179-L181 VanDerWaalsContact C-N 3.29Å; Y179-L181 PolarHBondContact O-N 3.34Å; L181-T185 PolarHBondContact O-N 3.33Å; L181-T185 PolarHBondContact O-OG1 3.49Å
182	L	46.1	Very low	51.2	Low	32 Å²	32	59.8 Å²	59.8	17%	0.168	29%	0.288	C	S	.	.	H	α-helix	trans	-76.1	-45.4	180	-160.4	158	0	0	0	113	I174 D178 Y179 R184 T185 H186	I174-L182 HydrophobicContact CB-CD1 4.29Å; I174-L182 HydrophobicContact CD1-CD1 4.43Å; I174-L182 HydrophobicContact CG1-CD1 3.34Å; I174-L182 HydrophobicContact CG1-CG 4.24Å; D178-L182 PolarHBondContact O-N 2.78Å; Y179-L182 PolarHBondContact O-N 3.46Å; L182-R184 PolarHBondContact O-N 3.36Å; L182-T185 PolarHBondContact O-N 2.91Å; L182-T185 PolarHBondContact O-OG1 3.29Å; L182-H186 PolarHBondContact O-N 2.89Å
183	V	51.1	Low	50.2	Low	93 Å²	93	59.9 Å²	59.9	56%	0.564	29%	0.289	S	S	*	.	H	α-helix	trans	-59.1	-39.5	178.1	170.4	0	0	0	0	111	Y179 L187	Y179-V183 WeakPolarHBondContact O-CG2 3.49Å; Y179-V183 PolarHBondContact O-N 3.3Å; V183-L187 HydrophobicContact CG1-CD1 4.36Å; V183-L187 PolarHBondContact O-N 2.94Å
184	R	50.4	Low	49.5	Very low	36 Å²	36	63.5 Å²	63.5	14%	0.136	31%	0.314	C	S	.	.	H	α-helix	trans	-66.1	-48.3	178.5	-164.7	-154.9	-160.3	172.1	20.1	112.3	R59 W63 L182 H186 L187 Y188	R59-R184 VanDerWaalsContact CZ-NH2 3.32Å; W63-R184 VanDerWaalsContact CD1-NH1 3.3Å; L182-R184 PolarHBondContact O-N 3.36Å; R184-H186 VanDerWaalsContact C-N 3.31Å; R184-H186 PolarHBondContact O-N 3.44Å; R184-L187 PolarHBondContact O-N 3.47Å; R184-Y188 HydrophobicContact CG-CD2 4.28Å; R184-Y188 HydrophobicContact CG-CE2 4.33Å; R184-Y188 WeakPolarHBondContact O-CD2 3.25Å; R184-Y188 PolarHBondContact O-N 2.92Å
185	T	53	Low	48.4	Very low	8 Å²	8	62.8 Å²	62.8	5%	0.049	31%	0.309	C	S	.	.	H	α-helix	trans	-68.1	-33.5	-177.1	25.3	0	0	0	0	111.9	E166 V169 S170 L181 L182 Y188 A189	E166-T185 HydrophobicContact CB-CG2 4.17Å; E166-T185 HydrophobicContact CG-CG2 4.39Å; E166-T185 WeakPolarHBondContact O-CG2 3.08Å; V169-T185 HydrophobicContact CB-CG2 3.86Å; V169-T185 HydrophobicContact CG1-CG2 3.58Å; S170-T185 WeakPolarHBondContact OG-CB 3.45Å; S170-T185 PolarHBondContact OG-OG1 2.94Å; L181-T185 PolarHBondContact O-N 3.33Å; L181-T185 PolarHBondContact O-OG1 3.49Å; L182-T185 PolarHBondContact O-N 2.91Å; L182-T185 PolarHBondContact O-OG1 3.29Å; T185-Y188 PolarHBondContact O-N 2.93Å; T185-A189 WeakPolarHBondContact O-CB 3.23Å; T185-A189 PolarHBondContact O-N 3.19Å
186	H	46.1	Very low	47.3	Very low	65 Å²	65	59.3 Å²	59.3	30%	0.301	29%	0.288	S	S	.	.	H	α-helix	trans	-65.9	-39.6	173.1	-97	-38.8	0	0	0	113.6	L182 R184 Y188 A189 I190	L182-H186 PolarHBondContact O-N 2.89Å; R184-H186 VanDerWaalsContact C-N 3.31Å; R184-H186 PolarHBondContact O-N 3.44Å; H186-Y188 VanDerWaalsContact C-N 3.3Å; H186-Y188 PolarHBondContact O-N 2.89Å; H186-A189 PolarHBondContact O-N 3.01Å; H186-I190 WeakPolarHBondContact O-CD1 3.24Å; H186-I190 VanDerWaalsContact O-CG1 3.26Å; H186-I190 WeakPolarHBondContact O-CG1 3.34Å; H186-I190 PolarHBondContact O-N 3.45Å
187	L	44.3	Very low	45.8	Very low	87 Å²	87	59.8 Å²	59.8	46%	0.455	29%	0.293	S	S	.	.	H	α-helix	trans	-60.5	-40.7	174.7	-95.2	158	0	0	0	111.9	V183 R184 I190 M191	V183-L187 HydrophobicContact CG1-CD1 4.36Å; V183-L187 PolarHBondContact O-N 2.94Å; R184-L187 PolarHBondContact O-N 3.47Å; L187-I190 PolarHBondContact O-N 3.45Å; L187-M191 WeakPolarHBondContact O-CG 3.43Å; L187-M191 PolarHBondContact O-N 3.31Å; L187-M191 VanDerWaalsContact O-N 3.09Å
188	Y	45.6	Very low	44.9	Very low	15 Å²	15	57.8 Å²	57.8	6%	0.059	29%	0.286	C	S	.	.	H	α-helix	trans	-70	-42.3	175.8	-88.6	-82.8	0	0	0	113.2	R59 S134 I138 E166 R184 T185 H186 I190 M191 D192	R59-Y188 PolarHBondContact NH1-OH 3.33Å; S134-Y188 WeakPolarHBondContact CB-OH 3.48Å; S134-Y188 PolarHBondContact OG-OH 3.48Å; S134-Y188 VanDerWaalsContact OG-OH 3.05Å; I138-Y188 HydrophobicContact CD1-CD1 3.98Å; I138-Y188 HydrophobicContact CD1-CE1 3.51Å; E166-Y188 WeakPolarHBondContact OE1-CB 3.32Å; E166-Y188 VanDerWaalsContact OE1-CD1 3.26Å; E166-Y188 WeakPolarHBondContact OE1-CD1 3.5Å; E166-Y188 WeakPolarHBondContact OE2-CB 3.43Å; R184-Y188 HydrophobicContact CG-CD2 4.28Å; R184-Y188 HydrophobicContact CG-CE2 4.33Å; R184-Y188 WeakPolarHBondContact O-CD2 3.25Å; R184-Y188 PolarHBondContact O-N 2.92Å; T185-Y188 PolarHBondContact O-N 2.93Å; H186-Y188 VanDerWaalsContact C-N 3.3Å; H186-Y188 PolarHBondContact O-N 2.89Å; Y188-I190 PolarHBondContact O-N 2.88Å; Y188-M191 HydrophobicContact CD1-CE 4.03Å; Y188-M191 HydrophobicContact CE1-CE 4.06Å; Y188-M191 PolarHBondContact O-N 3.4Å; Y188-M191 VanDerWaalsContact O-N 3.11Å; Y188-D192 WeakPolarHBondContact O-CB 3.42Å; Y188-D192 PolarHBondContact O-N 2.94Å
189	A	43.5	Very low	44.2	Very low	17 Å²	17	60.1 Å²	60.1	14%	0.14	30%	0.298	C	S	.	.	H	α-helix	trans	-58.8	-33.1	174.3	0	0	0	0	0	112.5	T185 H186 K193	T185-A189 WeakPolarHBondContact O-CB 3.23Å; T185-A189 PolarHBondContact O-N 3.19Å; H186-A189 PolarHBondContact O-N 3.01Å; A189-K193 WeakPolarHBondContact O-CB 3.42Å; A189-K193 VanDerWaalsContact O-CG 3.26Å; A189-K193 WeakPolarHBondContact O-CG 3.49Å; A189-K193 PolarHBondContact O-N 2.93Å
190	I	43.8	Very low	43.1	Very low	108 Å²	108	57.9 Å²	57.9	55%	0.554	29%	0.292	S	S	*	.	H	α-helix	trans	-73.2	-40.8	175	-66.2	164.1	0	0	0	111.6	H186 L187 Y188 K193 S194	H186-I190 WeakPolarHBondContact O-CD1 3.24Å; H186-I190 VanDerWaalsContact O-CG1 3.26Å; H186-I190 WeakPolarHBondContact O-CG1 3.34Å; H186-I190 PolarHBondContact O-N 3.45Å; L187-I190 PolarHBondContact O-N 3.45Å; Y188-I190 PolarHBondContact O-N 2.88Å; I190-K193 WeakPolarHBondContact O-CB 3.45Å; I190-K193 PolarHBondContact O-N 3.2Å; I190-S194 PolarHBondContact O-N 3.32Å
191	M	42.4	Very low	42	Very low	29 Å²	29	57.3 Å²	57.3	14%	0.143	30%	0.303	C	S	.	.	H	α-helix	trans	-70.2	-32.6	175.7	-70.5	-159.2	-58.4	0	0	113.2	N135 L187 Y188 S194	N135-M191 HydrophobicContact CB-SD 4.41Å; N135-M191 WeakPolarHBondContact OD1-CE 3.26Å; N135-M191 PolarHBondContact OD1-SD 2.82Å; N135-M191 VanDerWaalsContact OD1-SD 3.35Å; L187-M191 WeakPolarHBondContact O-CG 3.43Å; L187-M191 PolarHBondContact O-N 3.31Å; L187-M191 VanDerWaalsContact O-N 3.09Å; Y188-M191 HydrophobicContact CD1-CE 4.03Å; Y188-M191 HydrophobicContact CE1-CE 4.06Å; Y188-M191 PolarHBondContact O-N 3.4Å; Y188-M191 VanDerWaalsContact O-N 3.11Å; M191-S194 PolarHBondContact O-N 3.46Å; M191-S194 PolarHBondContact O-OG 3.12Å
192	D	44.2	Very low	40.7	Very low	15 Å²	15	61.9 Å²	61.9	8%	0.08	33%	0.328	C	S	.	.	H	α-helix	trans	-78.1	-26.9	177.2	-152.4	47.2	0	0	0	111.2	Y188 K195 R196	Y188-D192 WeakPolarHBondContact O-CB 3.42Å; Y188-D192 PolarHBondContact O-N 2.94Å; D192-K195 PolarHBondContact O-N 2.84Å; D192-R196 PolarHBondContact O-N 3.45Å; D192-R196 IonicContact OD2-CZ 3.87Å; D192-R196 IonicContact OD2-NH2 2.74Å; D192-R196 PolarHBondContact OD2-NH2 3.5Å
193	K	35.5	Very low	39.7	Very low	46 Å²	46	66.9 Å²	66.9	20%	0.2	35%	0.348	C	S	.	.	H	α-helix	trans	-61.3	-43.2	165.6	-90.1	-179.2	173.2	-164.4	0	112.7	A189 I190 K195 R196 C197 W205 H206	A189-K193 WeakPolarHBondContact O-CB 3.42Å; A189-K193 VanDerWaalsContact O-CG 3.26Å; A189-K193 WeakPolarHBondContact O-CG 3.49Å; A189-K193 PolarHBondContact O-N 2.93Å; I190-K193 WeakPolarHBondContact O-CB 3.45Å; I190-K193 PolarHBondContact O-N 3.2Å; K193-K195 PolarHBondContact O-N 3.49Å; K193-R196 CarbonylContact O-C 3.56Å; K193-R196 WeakPolarHBondContact O-CA 3.44Å; K193-R196 PolarHBondContact O-N 2.95Å; K193-C197 PolarHBondContact O-N 2.91Å; K193-C197 PolarHBondContact O-SG 3.37Å; K193-W205 WeakPolarHBondContact CE-O 3.47Å; K193-W205 PolarHBondContact NZ-O 3.44Å; K193-H206 PolarHBondContact NZ-CD2 3.4Å; K193-H206 VanDerWaalsContact NZ-CD2 3.27Å; K193-H206 PolarHBondContact NZ-CE1 3.36Å; K193-H206 VanDerWaalsContact NZ-CE1 3.26Å; K193-H206 PolarHBondContact NZ-ND1 3.14Å; K193-H206 PolarHBondContact NZ-NE2 2.95Å
194	S	41.6	Very low	38.6	Very low	76 Å²	76	69 Å²	69	53%	0.531	35%	0.352	S	S	.	.	H	α-helix	trans	-63.5	-32.6	-179.1	74.9	0	0	0	0	112.4	I190 M191 R196	I190-S194 PolarHBondContact O-N 3.32Å; M191-S194 PolarHBondContact O-N 3.46Å; M191-S194 PolarHBondContact O-OG 3.12Å; S194-R196 VanDerWaalsContact C-N 3.33Å
195	K	38.1	Very low	37.6	Very low	48 Å²	48	72.3 Å²	72.3	21%	0.209	37%	0.365	C	S	.	.	H	α-helix	trans	-71.1	-26.3	170.9	-69	-173.4	171.2	-170.2	0	113.8	I138 A142 D192 K193	I138-K195 HydrophobicContact CG2-CD 4.42Å; I138-K195 VanDerWaalsContact CG2-CE 3.44Å; I138-K195 VanDerWaalsContact CG2-NZ 3.33Å; I138-K195 PolarHBondContact O-NZ 3.08Å; A142-K195 VanDerWaalsContact CB-CE 3.5Å; A142-K195 HydrophobicContact CB-CG 4.42Å; D192-K195 PolarHBondContact O-N 2.84Å; K193-K195 PolarHBondContact O-N 3.49Å
196	R	34.4	Very low	36.6	Very low	70 Å²	70	76.6 Å²	76.6	26%	0.264	38%	0.384	S	S	.	.	H	α-helix	trans	-88.5	-32.1	-177	-130.7	178.3	-69.7	-172.9	-3.2	112.8	D192 K193 S194 E198 L199 F200	D192-R196 PolarHBondContact O-N 3.45Å; D192-R196 IonicContact OD2-CZ 3.87Å; D192-R196 IonicContact OD2-NH2 2.74Å; D192-R196 PolarHBondContact OD2-NH2 3.5Å; K193-R196 CarbonylContact O-C 3.56Å; K193-R196 WeakPolarHBondContact O-CA 3.44Å; K193-R196 PolarHBondContact O-N 2.95Å; S194-R196 VanDerWaalsContact C-N 3.33Å; R196-E198 PolarHBondContact O-N 3.33Å; R196-L199 CarbonylContact O-C 3.58Å; R196-L199 PolarHBondContact O-N 3.31Å; R196-F200 PolarHBondContact O-N 2.88Å
197	C	32.9	Very low	35.9	Very low	69 Å²	69	77.1 Å²	77.1	47%	0.466	39%	0.386	S	S	.	.	H	α-helix	trans	-63	-23.2	175.4	-69.2	0	0	0	0	112.7	K193	K193-C197 PolarHBondContact O-N 2.91Å; K193-C197 PolarHBondContact O-SG 3.37Å
198	E	39.4	Very low	35	Very low	120 Å²	120	81.2 Å²	81.2	56%	0.561	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-19	170.1	-82.1	-176	155.1	0	0	114.1	I146 R196	I146-E198 WeakPolarHBondContact CG1-OE2 3.49Å; R196-E198 PolarHBondContact O-N 3.33Å
199	L	35.3	Very low	34.1	Very low	66 Å²	66	84.6 Å²	84.6	35%	0.346	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	-17.7	-179.3	-112.8	104.3	0	0	0	114.7	I151 F156 R196	I151-L199 HydrophobicContact CB-CD1 4.45Å; I151-L199 HydrophobicContact CD1-CD1 3.97Å; I151-L199 HydrophobicContact CD1-CD2 4.39Å; I151-L199 HydrophobicContact CD1-CG 4.13Å; I151-L199 HydrophobicContact CG1-CD1 3.91Å; I151-L199 HydrophobicContact CG2-CD1 3.79Å; I151-L199 HydrophobicContact CG2-CD2 3.95Å; I151-L199 HydrophobicContact CG2-CG 4.39Å; F156-L199 HydrophobicContact CD2-CD2 3.99Å; F156-L199 HydrophobicContact CE2-CD2 3.44Å; F156-L199 VanDerWaalsContact CE2-CD2 3.44Å; F156-L199 HydrophobicContact CZ-CD2 4.46Å; R196-L199 CarbonylContact O-C 3.58Å; R196-L199 PolarHBondContact O-N 3.31Å
200	F	31.5	Very low	33.4	Very low	102 Å²	102	89.5 Å²	89.5	45%	0.447	45%	0.447	S	S	.	.			trans	-139.6	89.9	-176	-93.1	-94.2	0	0	0	109	F156 R196 D202	F156-F200 HydrophobicContact CE1-CE2 4.44Å; F156-F200 HydrophobicContact CE2-CE2 4.44Å; F156-F200 HydrophobicContact CZ-CD2 4.3Å; F156-F200 AromaticContact CZ-CE2 3.64Å; F156-F200 HydrophobicContact CZ-CE2 3.64Å; R196-F200 PolarHBondContact O-N 2.88Å; F200-D202 PolarHBondContact O-N 2.89Å; F200-D202 VanDerWaalsContact O-N 3.12Å
201	S	29.5	Very low	32.6	Very low	93 Å²	93	93.1 Å²	93.1	65%	0.65	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-0.9	173.1	-10.1	0	0	0	0	114.1
202	D	26.1	Very low	31.8	Very low	104 Å²	104	101.1 Å²	101.1	56%	0.556	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.7	-1.8	-165.8	-76.5	-35.5	0	0	0	116.4	F200	F200-D202 PolarHBondContact O-N 2.89Å; F200-D202 VanDerWaalsContact O-N 3.12Å
203	F	26	Very low	31	Very low	137 Å²	137	108.2 Å²	108.2	60%	0.601	52%	0.52	S	S	*	.			trans	-144.7	87.8	-178.3	-90.1	-82.7	0	0	0	114	W205	F203-W205 AromaticContact CD1-CE2 3.74Å; F203-W205 AromaticContact CD1-CZ2 3.63Å; F203-W205 HydrophobicContact CD1-CZ2 3.63Å; F203-W205 AromaticContact CD1-NE1 3.54Å; F203-W205 AromaticContact CE1-CZ2 3.71Å; F203-W205 HydrophobicContact CE1-CZ2 3.71Å
204	E	28.1	Very low	30.8	Very low	137 Å²	137	109.3 Å²	109.3	64%	0.64	54%	0.544	S	S	*	.			trans	-84.5	124.7	162.2	-85	-165.8	149.7	0	0	111.3
205	W	29.3	Very low	30	Very low	106 Å²	106	110 Å²	110	40%	0.402	55%	0.545	S	S	.	.			trans	-114.1	102.1	171.4	-65.4	95.5	0	0	0	110.1	K193 F203 F207 R220	K193-W205 WeakPolarHBondContact CE-O 3.47Å; K193-W205 PolarHBondContact NZ-O 3.44Å; F203-W205 AromaticContact CD1-CE2 3.74Å; F203-W205 AromaticContact CD1-CZ2 3.63Å; F203-W205 HydrophobicContact CD1-CZ2 3.63Å; F203-W205 AromaticContact CD1-NE1 3.54Å; F203-W205 AromaticContact CE1-CZ2 3.71Å; F203-W205 HydrophobicContact CE1-CZ2 3.71Å; W205-F207 HydrophobicContact CB-CE2 4.45Å; W205-R220 HydrophobicContact CZ3-CG 4.04Å
206	H	31	Very low	29.5	Very low	99 Å²	99	112 Å²	112	46%	0.458	56%	0.564	S	S	.	*			trans	-95.6	115	170.1	-79.3	-96.1	0	0	0	110.4	K193 Y208	K193-H206 PolarHBondContact NZ-CD2 3.4Å; K193-H206 VanDerWaalsContact NZ-CD2 3.27Å; K193-H206 PolarHBondContact NZ-CE1 3.36Å; K193-H206 VanDerWaalsContact NZ-CE1 3.26Å; K193-H206 PolarHBondContact NZ-ND1 3.14Å; K193-H206 PolarHBondContact NZ-NE2 2.95Å; H206-Y208 HydrophobicContact CB-CD2 4.15Å; H206-Y208 HydrophobicContact CB-CE2 3.95Å
207	F	31.2	Very low	29.1	Very low	76 Å²	76	111.9 Å²	111.9	33%	0.333	57%	0.574	S	S	.	*			trans	-90.5	111.4	168.2	-68.4	-75.7	0	0	0	108.6	L167 W205 L218	L167-F207 HydrophobicContact CD1-CE2 4.08Å; W205-F207 HydrophobicContact CB-CE2 4.45Å; F207-L218 HydrophobicContact CD1-CD2 3.34Å; F207-L218 HydrophobicContact CD1-CG 4.28Å; F207-L218 HydrophobicContact CE1-CD2 3.42Å; F207-L218 VanDerWaalsContact CE1-CD2 3.42Å; F207-L218 HydrophobicContact CG-CD2 4.46Å
208	Y	26.3	Very low	29	Very low	173 Å²	173	113.7 Å²	113.7	68%	0.678	58%	0.578	S	S	*	*			trans	-100.1	124.2	169.2	-83	-89.5	0	0	0	109.2	H206 H210	H206-Y208 HydrophobicContact CB-CD2 4.15Å; H206-Y208 HydrophobicContact CB-CE2 3.95Å; Y208-H210 PolarHBondContact O-N 3.4Å
209	A	27.1	Very low	28.3	Very low	86 Å²	86	112.9 Å²	112.9	71%	0.711	58%	0.577	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-80.6	103.1	165.9	0	0	0	0	0	108.3
210	H	28.7	Very low	28	Very low	119 Å²	119	119.4 Å²	119.4	55%	0.551	60%	0.597	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-101.8	123.8	174.8	-160.8	-36.3	0	0	0	109.6	Y208	Y208-H210 PolarHBondContact O-N 3.4Å
211	R	26.4	Very low	27.7	Very low	184 Å²	184	119.3 Å²	119.3	69%	0.694	60%	0.6	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-95.1	118.8	173.7	-155.3	179.3	-158.3	-176.4	4.3	109.3
212	R	26.1	Very low	27.4	Very low	198 Å²	198	120.2 Å²	120.2	75%	0.747	60%	0.604	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-137.3	127.7	165.3	-114.8	-176	-172.4	174.7	3.8	108	G214 V215	R212-G214 VanDerWaalsContact C-N 3.35Å; R212-G214 PolarHBondContact O-N 2.91Å; R212-V215 PolarHBondContact O-N 3.36Å
213	N	27.5	Very low	27.7	Very low	164 Å²	164	124.7 Å²	124.7	88%	0.877	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	51.6	41.2	177.1	-61.9	-6.2	0	0	0	115.9	V215	N213-V215 VanDerWaalsContact C-N 3.3Å; N213-V215 PolarHBondContact O-N 3.12Å
214	G	30.1	Very low	27.6	Very low	68 Å²	68	121.5 Å²	121.5	70%	0.701	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	80	-2.7	170	0	0	0	0	0	116.5	R212	R212-G214 VanDerWaalsContact C-N 3.35Å; R212-G214 PolarHBondContact O-N 2.91Å
215	V	24.7	Very low	27.4	Very low	92 Å²	92	126.1 Å²	126.1	56%	0.558	64%	0.637	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-106.8	127.9	176.1	-171.5	0	0	0	0	109.8	R212 N213	R212-V215 PolarHBondContact O-N 3.36Å; N213-V215 VanDerWaalsContact C-N 3.3Å; N213-V215 PolarHBondContact O-N 3.12Å
216	C	27.8	Very low	27.1	Very low	90 Å²	90	126.6 Å²	126.6	61%	0.608	66%	0.655	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-84	114	168.9	-91.5	0	0	0	0	108.7
217	S	26.2	Very low	26.8	Very low	67 Å²	67	124.7 Å²	124.7	47%	0.469	66%	0.661	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-109.6	126	174.7	-53.4	0	0	0	0	109.7	L219	S217-L219 PolarHBondContact O-N 2.89Å
218	L	30.7	Very low	26.6	Very low	106 Å²	106	130.1 Å²	130.1	56%	0.555	69%	0.688	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-82.5	96.3	174.9	-137.5	125.1	0	0	0	107.5	I174 F207 R220	I174-L218 HydrophobicContact CD1-CD1 4.29Å; F207-L218 HydrophobicContact CD1-CD2 3.34Å; F207-L218 HydrophobicContact CD1-CG 4.28Å; F207-L218 HydrophobicContact CE1-CD2 3.42Å; F207-L218 VanDerWaalsContact CE1-CD2 3.42Å; F207-L218 HydrophobicContact CG-CD2 4.46Å; L218-R220 PolarHBondContact O-N 2.84Å
219	L	25.7	Very low	26.6	Very low	103 Å²	103	130 Å²	130	54%	0.539	69%	0.693	S	S	.	*			trans	-77.6	120.5	-178.8	-131	92.9	0	0	0	109.7	S217 I221	S217-L219 PolarHBondContact O-N 2.89Å; L219-I221 HydrophobicContact CD2-CD1 3.86Å; L219-I221 HydrophobicContact CD2-CG1 3.84Å
220	R	27.3	Very low	26.5	Very low	204 Å²	204	130.6 Å²	130.6	77%	0.77	70%	0.699	S	S	*	*			trans	-99.2	106.4	172.6	-170.3	-172.3	-95.4	-170.6	-5.4	107.6	W205 L218	W205-R220 HydrophobicContact CZ3-CG 4.04Å; L218-R220 PolarHBondContact O-N 2.84Å
221	I	26.4	Very low	26.3	Very low	99 Å²	99	133.4 Å²	133.4	51%	0.508	71%	0.709	S	S	.	*			trans	-109.3	125.8	174.8	-48.9	177.9	0	0	0	108.4	L219 F223	L219-I221 HydrophobicContact CD2-CD1 3.86Å; L219-I221 HydrophobicContact CD2-CG1 3.84Å; I221-F223 HydrophobicContact CG2-CD2 3.67Å; I221-F223 HydrophobicContact CG2-CE2 3.8Å
222	P	23.7	Very low	26.5	Very low	112 Å²	112	134.8 Å²	134.8	73%	0.727	74%	0.739	S	S	*	*			trans	-84.6	128.7	166.1	32.8	-26.4	0	0	0	109.2
223	F	32.6	Very low	26.6	Very low	198 Å²	198	131.7 Å²	131.7	87%	0.868	74%	0.738	S	S	*	*			trans	-121	138.9	165.3	-102.9	-84.7	0	0	0	110.2	I221	I221-F223 HydrophobicContact CG2-CD2 3.67Å; I221-F223 HydrophobicContact CG2-CE2 3.8Å
224	G	23.8	Very low	26.5	Very low	71 Å²	71	129.9 Å²	129.9	73%	0.732	73%	0.731	S	S	*	*			trans	-77.2	178.4	-164.8	0	0	0	0	0	115.8	C226	G224-C226 PolarHBondContact O-N 3.08Å
225	R	22.1	Very low	26.3	Very low	234 Å²	234	133.4 Å²	133.4	88%	0.883	73%	0.733	S	S	*	*			trans	-36.7	122.9	-176	-74.4	179.6	-176.8	172.7	0.7	113.8	G227	R225-G227 VanDerWaalsContact C-N 3.27Å; R225-G227 PolarHBondContact O-N 3.15Å; R225-G227 VanDerWaalsContact O-N 3.14Å
226	C	23.7	Very low	26.4	Very low	116 Å²	116	135.8 Å²	135.8	78%	0.784	74%	0.743	S	S	*	*			trans	-85	77.9	161.8	-144.2	0	0	0	0	108.4	G224	G224-C226 PolarHBondContact O-N 3.08Å
227	G	24.8	Very low	26.3	Very low	58 Å²	58	138.7 Å²	138.7	60%	0.598	75%	0.751	S	S	*	*			trans	-87.4	127.5	170.5	0	0	0	0	0	110.6	R225	R225-G227 VanDerWaalsContact C-N 3.27Å; R225-G227 PolarHBondContact O-N 3.15Å; R225-G227 VanDerWaalsContact O-N 3.14Å
228	Q	26.3	Very low	26.3	Very low	191 Å²	191	143.5 Å²	143.5	89%	0.893	77%	0.77	S	S	*	*			trans	62	114.6	148	-65.2	-179.1	-22.9	0	0	118	A230	Q228-A230 PolarHBondContact O-N 2.87Å; Q228-A230 VanDerWaalsContact O-N 3.14Å
229	E	26.1	Very low	26	Very low	169 Å²	169	146.1 Å²	146.1	79%	0.79	79%	0.786	S	S	*	*			trans	-41.8	119.2	144.9	-69.7	-176.8	156.1	0	0	109.5	K231	E229-K231 VanDerWaalsContact C-N 3.34Å; E229-K231 PolarHBondContact O-N 3.25Å
230	A	26.2	Very low	26.1	Very low	100 Å²	100	149.5 Å²	149.5	83%	0.826	81%	0.805	S	S	*	*			trans	-58.2	98.8	163.5	0	0	0	0	0	108.8	Q228	Q228-A230 PolarHBondContact O-N 2.87Å; Q228-A230 VanDerWaalsContact O-N 3.14Å
231	K	25	Very low	26	Very low	177 Å²	177	144.9 Å²	144.9	77%	0.77	81%	0.808	S	S	*	*			trans	-113.2	92	152.7	-81.7	-177.3	178.7	170.3	0	107.5	E229	E229-K231 VanDerWaalsContact C-N 3.34Å; E229-K231 PolarHBondContact O-N 3.25Å
232	T	30.8	Very low	25.9	Very low	214 Å²	214	149.1 Å²	149.1	100%	1.313	84%	0.835	S	S	*	*			trans	-168.6	0	147.2	11.2	0	0	0	0	108.3

Retrieved 232 of 232 residues in 200.9 ms (Link to these results)

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