A0A077Z7Z5_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z7Z5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 202 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	35	Very low	37.3	Very low	222 Å²	222	137.3 Å²	137.3	100%	1.094	71%	0.706	S	S	*	*				0	91.1	0	-60.5	-172.5	-165.5	0	0	104.6
2	D	38.1	Very low	37.6	Very low	148 Å²	148	136.8 Å²	136.8	79%	0.791	70%	0.699	S	S	*	*			cis	-143.2	116.7	20.8	-68.1	-46.9	0	0	0	108.2	D4	D2-D4 VanDerWaalsContact C-N 3.32Å; D2-D4 PolarHBondContact O-N 2.76Å
3	D	37.6	Very low	37.8	Very low	159 Å²	159	133.3 Å²	133.3	85%	0.85	68%	0.678	S	S	*	*			trans	-75.4	88.1	161.1	-69.6	-56.9	0	0	0	105.8
4	D	38.8	Very low	37.8	Very low	137 Å²	137	130.9 Å²	130.9	73%	0.733	67%	0.667	S	S	*	*			trans	-166.6	39	171.5	-93.4	-27.1	0	0	0	113.1	D2	D2-D4 VanDerWaalsContact C-N 3.32Å; D2-D4 PolarHBondContact O-N 2.76Å
5	L	36.4	Very low	38.1	Very low	170 Å²	170	123.7 Å²	123.7	89%	0.89	63%	0.634	S	S	*	*			trans	-112.9	30.9	170.8	-132.6	99.5	0	0	0	113.6
6	F	29	Very low	38.2	Very low	218 Å²	218	117 Å²	117	96%	0.956	60%	0.6	S	S	*	*			trans	-112	59.9	162.7	-79.1	-83	0	0	0	108.7
7	V	32.6	Very low	38.3	Very low	102 Å²	102	116.8 Å²	116.8	62%	0.618	60%	0.599	S	S	*	*			trans	-108.3	120.4	172.9	177.1	0	0	0	0	107.5
8	D	42.3	Very low	38.5	Very low	61 Å²	61	113.2 Å²	113.2	33%	0.326	58%	0.579	S	S	.	*	S	Bend	trans	84.8	17.9	157.4	-60.9	-14.1	0	0	0	121.6	D10 H11 N135	D8-D10 VanDerWaalsContact C-N 3.26Å; D8-D10 PolarHBondContact O-N 3.39Å; D8-H11 IonicContact OD1-CD2 2.9Å; D8-H11 IonicContact OD1-NE2 3.86Å; D8-N135 PolarHBondContact OD2-ND2 2.87Å
9	N	39.2	Very low	39	Very low	102 Å²	102	109.3 Å²	109.3	55%	0.545	56%	0.559	S	S	.	*	H	α-helix	trans	-75.5	-16.3	167.6	-148.4	5.6	0	0	0	113.1	H11 Q13	N9-H11 VanDerWaalsContact C-N 3.3Å; N9-H11 PolarHBondContact O-N 2.85Å; N9-Q13 VanDerWaalsContact O-CG 3.29Å; N9-Q13 WeakPolarHBondContact O-CG 3.23Å; N9-Q13 PolarHBondContact O-N 3.48Å
10	D	41.8	Very low	39.3	Very low	113 Å²	113	105.3 Å²	105.3	60%	0.604	54%	0.54	S	S	*	.	H	α-helix	trans	-70.5	-27.8	-179.8	-65.8	-21.5	0	0	0	112.3	D8 L14	D8-D10 VanDerWaalsContact C-N 3.26Å; D8-D10 PolarHBondContact O-N 3.39Å; D10-L14 WeakPolarHBondContact O-CB 3.19Å; D10-L14 WeakPolarHBondContact O-CG 3.46Å; D10-L14 PolarHBondContact O-N 3.4Å
11	H	39.2	Very low	39.4	Very low	78 Å²	78	104.8 Å²	104.8	36%	0.361	54%	0.535	S	S	.	.	H	α-helix	trans	-75.2	-46.3	-176.9	-71.9	-74.2	0	0	0	112.3	D8 N9 Q13 L14 A15	D8-H11 IonicContact OD1-CD2 2.9Å; D8-H11 IonicContact OD1-NE2 3.86Å; N9-H11 VanDerWaalsContact C-N 3.3Å; N9-H11 PolarHBondContact O-N 2.85Å; H11-Q13 VanDerWaalsContact C-N 3.25Å; H11-Q13 PolarHBondContact O-N 2.92Å; H11-L14 PolarHBondContact O-N 3.39Å; H11-L14 VanDerWaalsContact O-N 3.15Å; H11-A15 PolarHBondContact O-N 3Å
12	E	41	Very low	39.9	Very low	132 Å²	132	94.9 Å²	94.9	62%	0.617	49%	0.487	S	S	*	.	H	α-helix	trans	-59.7	-41.2	172.9	-67.5	-174.5	176.1	0	0	110.6	L14 A15 L16	E12-L14 PolarHBondContact O-N 3.14Å; E12-A15 PolarHBondContact O-N 3.46Å; E12-L16 VanDerWaalsContact O-CB 3.29Å; E12-L16 WeakPolarHBondContact O-CB 3.24Å; E12-L16 WeakPolarHBondContact O-CD1 3.17Å; E12-L16 WeakPolarHBondContact O-CG 3.18Å; E12-L16 PolarHBondContact O-N 3.07Å
13	Q	40	Very low	40.3	Very low	91 Å²	91	88.3 Å²	88.3	43%	0.425	45%	0.452	S	S	.	.	H	α-helix	trans	-62.8	-38.7	175.9	-71	-179.7	28.5	0	0	112.7	N9 H11 L16 I17	N9-Q13 VanDerWaalsContact O-CG 3.29Å; N9-Q13 WeakPolarHBondContact O-CG 3.23Å; N9-Q13 PolarHBondContact O-N 3.48Å; H11-Q13 VanDerWaalsContact C-N 3.25Å; H11-Q13 PolarHBondContact O-N 2.92Å; Q13-L16 WeakPolarHBondContact O-CB 3.41Å; Q13-L16 PolarHBondContact O-N 3.03Å; Q13-I17 WeakPolarHBondContact O-CB 3.43Å; Q13-I17 WeakPolarHBondContact O-CD1 3.38Å; Q13-I17 WeakPolarHBondContact O-CG1 3.4Å; Q13-I17 PolarHBondContact O-N 3.48Å
14	L	38.4	Very low	40.7	Very low	100 Å²	100	85.5 Å²	85.5	52%	0.524	43%	0.433	S	S	.	.	H	α-helix	trans	-67.4	-44.8	175.8	-83.4	162.9	0	0	0	112.3	D10 H11 E12 L16 I17 F18	D10-L14 WeakPolarHBondContact O-CB 3.19Å; D10-L14 WeakPolarHBondContact O-CG 3.46Å; D10-L14 PolarHBondContact O-N 3.4Å; H11-L14 PolarHBondContact O-N 3.39Å; H11-L14 VanDerWaalsContact O-N 3.15Å; E12-L14 PolarHBondContact O-N 3.14Å; L14-L16 VanDerWaalsContact C-N 3.25Å; L14-L16 PolarHBondContact O-N 3.05Å; L14-I17 PolarHBondContact O-N 2.79Å; L14-F18 WeakPolarHBondContact O-CB 3.27Å; L14-F18 PolarHBondContact O-N 2.86Å
15	A	42.3	Very low	41.2	Very low	22 Å²	22	83.9 Å²	83.9	18%	0.182	42%	0.42	C	S	.	.	H	α-helix	trans	-55.8	-45.4	174.7	0	0	0	0	0	110.8	H11 E12 F18 I19 E140	H11-A15 PolarHBondContact O-N 3Å; E12-A15 PolarHBondContact O-N 3.46Å; A15-F18 PolarHBondContact O-N 3.19Å; A15-I19 WeakPolarHBondContact O-CB 3.37Å; A15-I19 WeakPolarHBondContact O-CG1 3.44Å; A15-I19 PolarHBondContact O-N 3.23Å; A15-E140 WeakPolarHBondContact CA-OE1 3.46Å; A15-E140 VanDerWaalsContact CB-CD 3.43Å; A15-E140 HydrophobicContact CB-CG 3.77Å; A15-E140 WeakPolarHBondContact CB-OE1 3.42Å; A15-E140 PolarHBondContact N-OE1 3Å; A15-E140 VanDerWaalsContact N-OE1 3.08Å
16	L	39.8	Very low	41.4	Very low	17 Å²	17	76.9 Å²	76.9	9%	0.089	38%	0.383	C	S	.	.	H	α-helix	trans	-62.5	-53.3	178.1	-81.2	160.6	0	0	0	112.4	E12 Q13 L14 F18 I19 V20 N91 L94	E12-L16 VanDerWaalsContact O-CB 3.29Å; E12-L16 WeakPolarHBondContact O-CB 3.24Å; E12-L16 WeakPolarHBondContact O-CD1 3.17Å; E12-L16 WeakPolarHBondContact O-CG 3.18Å; E12-L16 PolarHBondContact O-N 3.07Å; Q13-L16 WeakPolarHBondContact O-CB 3.41Å; Q13-L16 PolarHBondContact O-N 3.03Å; L14-L16 VanDerWaalsContact C-N 3.25Å; L14-L16 PolarHBondContact O-N 3.05Å; L16-F18 PolarHBondContact O-N 2.8Å; L16-I19 PolarHBondContact O-N 3.31Å; L16-V20 WeakPolarHBondContact O-CB 3.4Å; L16-V20 WeakPolarHBondContact O-CG2 3.49Å; L16-V20 PolarHBondContact O-N 2.79Å; L16-N91 HydrophobicContact CD1-CB 3.44Å; L16-N91 VanDerWaalsContact CD1-CB 3.44Å; L16-N91 WeakPolarHBondContact CD1-ND2 3.37Å; L16-N91 HydrophobicContact CD2-CB 3.68Å; L16-N91 HydrophobicContact CG-CB 4.25Å; L16-L94 HydrophobicContact CD2-CB 3.52Å; L16-L94 HydrophobicContact CD2-CD1 3.8Å; L16-L94 HydrophobicContact CD2-CG 4.23Å
17	I	39.9	Very low	42	Very low	113 Å²	113	69.8 Å²	69.8	58%	0.579	35%	0.35	S	S	*	.	H	α-helix	trans	-55.4	-39.4	177.4	-71.5	164.2	0	0	0	109.6	Q13 L14 H21	Q13-I17 WeakPolarHBondContact O-CB 3.43Å; Q13-I17 WeakPolarHBondContact O-CD1 3.38Å; Q13-I17 WeakPolarHBondContact O-CG1 3.4Å; Q13-I17 PolarHBondContact O-N 3.48Å; L14-I17 PolarHBondContact O-N 2.79Å; I17-H21 VanDerWaalsContact O-CB 3.26Å; I17-H21 WeakPolarHBondContact O-CB 3.31Å; I17-H21 PolarHBondContact O-N 2.95Å
18	F	42.6	Very low	42.8	Very low	53 Å²	53	71 Å²	71	23%	0.232	35%	0.348	C	S	.	.	H	α-helix	trans	-72.4	-46.2	-178.2	-162.4	-92.3	0	0	0	113.2	L14 A15 L16 V20 H21 V22 K144 E148	L14-F18 WeakPolarHBondContact O-CB 3.27Å; L14-F18 PolarHBondContact O-N 2.86Å; A15-F18 PolarHBondContact O-N 3.19Å; L16-F18 PolarHBondContact O-N 2.8Å; F18-V20 VanDerWaalsContact C-N 3.27Å; F18-V20 PolarHBondContact O-N 3.28Å; F18-H21 PolarHBondContact O-N 2.95Å; F18-H21 VanDerWaalsContact O-N 3.14Å; F18-V22 HydrophobicContact CD1-CG2 3.65Å; F18-V22 HydrophobicContact CE1-CG2 3.21Å; F18-V22 HydrophobicContact CZ-CG2 3.75Å; F18-V22 WeakPolarHBondContact O-CB 3.33Å; F18-V22 VanDerWaalsContact O-CG2 3.28Å; F18-V22 WeakPolarHBondContact O-CG2 3.37Å; F18-V22 PolarHBondContact O-N 3.46Å; F18-K144 HydrophobicContact CD1-CD 3.89Å; F18-K144 HydrophobicContact CD1-CG 3.41Å; F18-K144 VanDerWaalsContact CD1-CG 3.41Å; F18-K144 HydrophobicContact CE1-CD 3.77Å; F18-K144 HydrophobicContact CE1-CG 3.18Å; F18-K144 HydrophobicContact CE2-CD 4.43Å; F18-K144 HydrophobicContact CG-CD 4.24Å; F18-K144 HydrophobicContact CG-CG 4.24Å; F18-K144 HydrophobicContact CZ-CD 4.08Å; F18-K144 HydrophobicContact CZ-CG 3.91Å; F18-E148 HydrophobicContact CE1-CG 4.42Å; F18-E148 WeakPolarHBondContact CZ-OE1 3.12Å
19	I	47.1	Very low	43	Very low	38 Å²	38	76.2 Å²	76.2	20%	0.195	37%	0.368	C	S	.	.	H	α-helix	trans	-58.1	-44.7	176.4	-72.6	170.2	0	0	0	109.6	A15 L16 H21 V22 L23 L94 I147	A15-I19 WeakPolarHBondContact O-CB 3.37Å; A15-I19 WeakPolarHBondContact O-CG1 3.44Å; A15-I19 PolarHBondContact O-N 3.23Å; L16-I19 PolarHBondContact O-N 3.31Å; I19-H21 PolarHBondContact O-N 3.25Å; I19-V22 PolarHBondContact O-N 3.23Å; I19-L23 HydrophobicContact CG2-CD1 3.55Å; I19-L23 WeakPolarHBondContact O-CB 3.39Å; I19-L23 WeakPolarHBondContact O-CD1 3.48Å; I19-L23 WeakPolarHBondContact O-CG 3.1Å; I19-L23 PolarHBondContact O-N 2.8Å; I19-L94 HydrophobicContact CB-CD1 4.1Å; I19-L94 HydrophobicContact CD1-CD1 3.45Å; I19-L94 VanDerWaalsContact CD1-CD1 3.45Å; I19-L94 HydrophobicContact CG1-CD1 4.35Å; I19-L94 HydrophobicContact CG2-CD1 3.82Å; I19-I147 HydrophobicContact CG1-CD1 4.39Å
20	V	44.8	Very low	43.3	Very low	30 Å²	30	75.3 Å²	75.3	18%	0.182	37%	0.366	C	S	.	.	H	α-helix	trans	-61.8	-44.3	175.3	177.5	0	0	0	0	112.1	L16 F18 V22 L23 Q24 V93 S97	L16-V20 WeakPolarHBondContact O-CB 3.4Å; L16-V20 WeakPolarHBondContact O-CG2 3.49Å; L16-V20 PolarHBondContact O-N 2.79Å; F18-V20 VanDerWaalsContact C-N 3.27Å; F18-V20 PolarHBondContact O-N 3.28Å; V20-V22 VanDerWaalsContact C-N 3.33Å; V20-V22 PolarHBondContact O-N 3.07Å; V20-L23 CarbonylContact O-C 3.59Å; V20-L23 PolarHBondContact O-N 3.39Å; V20-L23 VanDerWaalsContact O-N 3.11Å; V20-Q24 HydrophobicContact CG1-CG 4.39Å; V20-Q24 WeakPolarHBondContact O-CB 3.23Å; V20-Q24 PolarHBondContact O-N 3Å; V20-V93 HydrophobicContact CB-CG1 4.28Å; V20-V93 HydrophobicContact CG2-CB 4.36Å; V20-V93 HydrophobicContact CG2-CG1 2.95Å; V20-S97 WeakPolarHBondContact CA-OG 3.32Å; V20-S97 WeakPolarHBondContact CG2-OG 2.98Å
21	H	42.5	Very low	43.3	Very low	95 Å²	95	71.5 Å²	71.5	44%	0.44	35%	0.346	S	S	.	.	H	α-helix	trans	-63	-44.6	-179.3	-172.5	74.3	0	0	0	111.1	I17 F18 I19 L23 Q24 K25	I17-H21 VanDerWaalsContact O-CB 3.26Å; I17-H21 WeakPolarHBondContact O-CB 3.31Å; I17-H21 PolarHBondContact O-N 2.95Å; F18-H21 PolarHBondContact O-N 2.95Å; F18-H21 VanDerWaalsContact O-N 3.14Å; I19-H21 PolarHBondContact O-N 3.25Å; H21-L23 PolarHBondContact O-N 3.21Å; H21-Q24 PolarHBondContact O-N 3.46Å; H21-K25 WeakPolarHBondContact O-CB 3.21Å; H21-K25 PolarHBondContact O-N 3.47Å
22	V	45.2	Very low	43.6	Very low	14 Å²	14	70.6 Å²	70.6	9%	0.085	36%	0.357	C	S	.	.	H	α-helix	trans	-59.7	-36.2	174.4	168.5	0	0	0	0	111.1	F18 I19 V20 K25 M26 I147 L151	F18-V22 HydrophobicContact CD1-CG2 3.65Å; F18-V22 HydrophobicContact CE1-CG2 3.21Å; F18-V22 HydrophobicContact CZ-CG2 3.75Å; F18-V22 WeakPolarHBondContact O-CB 3.33Å; F18-V22 VanDerWaalsContact O-CG2 3.28Å; F18-V22 WeakPolarHBondContact O-CG2 3.37Å; F18-V22 PolarHBondContact O-N 3.46Å; I19-V22 PolarHBondContact O-N 3.23Å; V20-V22 VanDerWaalsContact C-N 3.33Å; V20-V22 PolarHBondContact O-N 3.07Å; V22-K25 WeakPolarHBondContact O-CB 3.39Å; V22-K25 PolarHBondContact O-N 2.68Å; V22-M26 HydrophobicContact CG1-CE 3.8Å; V22-M26 PolarHBondContact O-N 3.05Å; V22-I147 HydrophobicContact CG1-CG2 3.76Å; V22-L151 HydrophobicContact CB-CD1 4.49Å; V22-L151 HydrophobicContact CG1-CD1 3.04Å; V22-L151 HydrophobicContact CG1-CG 4.49Å
23	L	45.7	Very low	43.9	Very low	10 Å²	10	74.4 Å²	74.4	5%	0.052	37%	0.372	C	S	.	.	H	α-helix	trans	-79.6	-35	-178.9	-73.7	164.7	0	0	0	114.3	I19 V20 H21 K25 M26 R27 S97 V101	I19-L23 HydrophobicContact CG2-CD1 3.55Å; I19-L23 WeakPolarHBondContact O-CB 3.39Å; I19-L23 WeakPolarHBondContact O-CD1 3.48Å; I19-L23 WeakPolarHBondContact O-CG 3.1Å; I19-L23 PolarHBondContact O-N 2.8Å; V20-L23 CarbonylContact O-C 3.59Å; V20-L23 PolarHBondContact O-N 3.39Å; V20-L23 VanDerWaalsContact O-N 3.11Å; H21-L23 PolarHBondContact O-N 3.21Å; L23-K25 VanDerWaalsContact C-N 3.34Å; L23-M26 HydrophobicContact CD2-CE 3.27Å; L23-M26 HydrophobicContact CD2-SD 4.13Å; L23-M26 HydrophobicContact CG-CE 3.99Å; L23-M26 WeakPolarHBondContact O-CB 3.4Å; L23-M26 PolarHBondContact O-N 2.71Å; L23-R27 VanDerWaalsContact O-CB 3.32Å; L23-R27 WeakPolarHBondContact O-CB 3.47Å; L23-R27 PolarHBondContact O-N 2.82Å; L23-S97 VanDerWaalsContact CD1-O 3.27Å; L23-S97 WeakPolarHBondContact CD1-O 3.46Å; L23-S97 VanDerWaalsContact CD1-OG 3.31Å; L23-S97 WeakPolarHBondContact CD1-OG 3.16Å; L23-V101 HydrophobicContact CD1-CG2 4.15Å; L23-V101 HydrophobicContact CD2-CB 4.31Å; L23-V101 HydrophobicContact CD2-CG2 3.01Å; L23-V101 HydrophobicContact CG-CG2 4.17Å
24	Q	47.1	Very low	44.1	Very low	99 Å²	99	77.8 Å²	77.8	46%	0.463	39%	0.385	S	S	.	.	H	α-helix	trans	-62.3	-43.5	166.2	-78.5	-179.6	-16.2	0	0	110.5	V20 H21 M26 R27 E28	V20-Q24 HydrophobicContact CG1-CG 4.39Å; V20-Q24 WeakPolarHBondContact O-CB 3.23Å; V20-Q24 PolarHBondContact O-N 3Å; H21-Q24 PolarHBondContact O-N 3.46Å; Q24-M26 VanDerWaalsContact C-N 3.33Å; Q24-M26 PolarHBondContact O-N 2.78Å; Q24-R27 CarbonylContact O-C 3.56Å; Q24-R27 WeakPolarHBondContact O-CB 3.39Å; Q24-R27 PolarHBondContact O-N 3.12Å; Q24-E28 WeakPolarHBondContact O-CG 3.41Å; Q24-E28 PolarHBondContact O-N 2.97Å
25	K	48.5	Very low	43.9	Very low	104 Å²	104	76.3 Å²	76.3	45%	0.452	37%	0.373	S	S	.	.	H	α-helix	trans	-59.9	-40.9	172.9	-88.1	-81.3	-176	-176.3	0	112.5	H21 V22 L23 E28 K29	H21-K25 WeakPolarHBondContact O-CB 3.21Å; H21-K25 PolarHBondContact O-N 3.47Å; V22-K25 WeakPolarHBondContact O-CB 3.39Å; V22-K25 PolarHBondContact O-N 2.68Å; L23-K25 VanDerWaalsContact C-N 3.34Å; K25-E28 PolarHBondContact O-N 3.28Å; K25-K29 WeakPolarHBondContact O-CB 3.32Å; K25-K29 WeakPolarHBondContact O-CG 3.39Å; K25-K29 PolarHBondContact O-N 3.43Å
26	M	41.4	Very low	43.8	Very low	23 Å²	23	82.6 Å²	82.6	11%	0.113	40%	0.399	C	S	.	.	H	α-helix	trans	-64.4	-44.7	173.3	-87.7	-164.3	-105.1	0	0	112.1	V22 L23 Q24 E28 K29 V30 V101 M104 L151	V22-M26 HydrophobicContact CG1-CE 3.8Å; V22-M26 PolarHBondContact O-N 3.05Å; L23-M26 HydrophobicContact CD2-CE 3.27Å; L23-M26 HydrophobicContact CD2-SD 4.13Å; L23-M26 HydrophobicContact CG-CE 3.99Å; L23-M26 WeakPolarHBondContact O-CB 3.4Å; L23-M26 PolarHBondContact O-N 2.71Å; Q24-M26 VanDerWaalsContact C-N 3.33Å; Q24-M26 PolarHBondContact O-N 2.78Å; M26-E28 VanDerWaalsContact C-N 3.33Å; M26-E28 PolarHBondContact O-N 3.42Å; M26-K29 PolarHBondContact O-N 3.15Å; M26-V30 WeakPolarHBondContact O-CB 3.46Å; M26-V30 WeakPolarHBondContact O-CG2 3.06Å; M26-V30 PolarHBondContact O-N 3.32Å; M26-V101 HydrophobicContact CE-CG2 4.17Å; M26-M104 HydrophobicContact CB-CE 4Å; M26-M104 HydrophobicContact CB-SD 4.35Å; M26-M104 HydrophobicContact CG-CE 4.46Å; M26-M104 HydrophobicContact SD-CE 4.13Å; M26-L151 HydrophobicContact CE-CD1 3.61Å; M26-L151 HydrophobicContact CE-CD2 3.29Å; M26-L151 HydrophobicContact CE-CG 4Å; M26-L151 HydrophobicContact CG-CD1 4.29Å; M26-L151 HydrophobicContact CG-CD2 3.64Å; M26-L151 HydrophobicContact SD-CD1 4.41Å; M26-L151 HydrophobicContact SD-CD2 3.16Å; M26-L151 WeakPolarHBondContact SD-CD2 3.29Å; M26-L151 HydrophobicContact SD-CG 4.36Å
27	R	41.6	Very low	44	Very low	69 Å²	69	90.7 Å²	90.7	26%	0.26	44%	0.436	S	S	.	.	H	α-helix	trans	-56.7	-47.9	173.6	168.8	174.6	-177	-126.8	-7.3	110.1	L23 Q24 K29 L31	L23-R27 VanDerWaalsContact O-CB 3.32Å; L23-R27 WeakPolarHBondContact O-CB 3.47Å; L23-R27 PolarHBondContact O-N 2.82Å; Q24-R27 CarbonylContact O-C 3.56Å; Q24-R27 WeakPolarHBondContact O-CB 3.39Å; Q24-R27 PolarHBondContact O-N 3.12Å; R27-K29 PolarHBondContact O-N 2.79Å; R27-L31 HydrophobicContact CB-CD1 4.33Å; R27-L31 HydrophobicContact CG-CB 4.44Å; R27-L31 HydrophobicContact CG-CD1 3.85Å; R27-L31 VanDerWaalsContact O-CA 3.27Å; R27-L31 WeakPolarHBondContact O-CA 3.19Å; R27-L31 WeakPolarHBondContact O-CB 3.2Å; R27-L31 PolarHBondContact O-N 3.25Å
28	E	47.4	Very low	44.1	Very low	126 Å²	126	94.1 Å²	94.1	59%	0.589	44%	0.441	S	S	*	.	H	α-helix	trans	-60.7	-45.6	176.5	-72.6	174.1	-179.9	0	0	112.1	Q24 K25 M26 G32	Q24-E28 WeakPolarHBondContact O-CG 3.41Å; Q24-E28 PolarHBondContact O-N 2.97Å; K25-E28 PolarHBondContact O-N 3.28Å; M26-E28 VanDerWaalsContact C-N 3.33Å; M26-E28 PolarHBondContact O-N 3.42Å; E28-G32 WeakPolarHBondContact O-CA 3.28Å; E28-G32 PolarHBondContact O-N 3.37Å
29	K	48.4	Very low	44	Very low	172 Å²	172	96.3 Å²	96.3	75%	0.748	45%	0.452	S	S	*	.	H	α-helix	trans	-69.3	-43.5	-178.3	-80.9	-175.4	174.4	-177.9	0	113.7	K25 M26 R27	K25-K29 WeakPolarHBondContact O-CB 3.32Å; K25-K29 WeakPolarHBondContact O-CG 3.39Å; K25-K29 PolarHBondContact O-N 3.43Å; M26-K29 PolarHBondContact O-N 3.15Å; R27-K29 PolarHBondContact O-N 2.79Å
30	V	43.7	Very low	43.3	Very low	83 Å²	83	102.3 Å²	102.3	50%	0.503	47%	0.474	S	S	.	.	H	α-helix	trans	-90.3	-34.1	-173.9	178.4	0	0	0	0	111.5	M26 M104	M26-V30 WeakPolarHBondContact O-CB 3.46Å; M26-V30 WeakPolarHBondContact O-CG2 3.06Å; M26-V30 PolarHBondContact O-N 3.32Å; V30-M104 HydrophobicContact CB-CE 3.56Å; V30-M104 HydrophobicContact CG1-CE 3.85Å; V30-M104 HydrophobicContact CG2-CE 3.36Å
31	L	43.8	Very low	42.8	Very low	32 Å²	32	104.7 Å²	104.7	17%	0.168	50%	0.504	C	S	.	.	H	α-helix	trans	-102.6	-0.6	-172.6	-56.1	179.2	0	0	0	114.5	R27 K33 K34 W35	R27-L31 HydrophobicContact CB-CD1 4.33Å; R27-L31 HydrophobicContact CG-CB 4.44Å; R27-L31 HydrophobicContact CG-CD1 3.85Å; R27-L31 VanDerWaalsContact O-CA 3.27Å; R27-L31 WeakPolarHBondContact O-CA 3.19Å; R27-L31 WeakPolarHBondContact O-CB 3.2Å; R27-L31 PolarHBondContact O-N 3.25Å; L31-K33 PolarHBondContact O-N 2.8Å; L31-K34 PolarHBondContact O-N 3.13Å; L31-W35 HydrophobicContact CB-CB 3.6Å; L31-W35 HydrophobicContact CB-CG 4.27Å; L31-W35 HydrophobicContact CD1-CB 3.69Å; L31-W35 HydrophobicContact CD1-CD2 3.58Å; L31-W35 HydrophobicContact CD1-CE3 4.06Å; L31-W35 HydrophobicContact CD1-CG 3.43Å; L31-W35 VanDerWaalsContact CD1-CG 3.43Å; L31-W35 HydrophobicContact CD2-CB 3.77Å; L31-W35 VanDerWaalsContact CD2-CD1 3.46Å; L31-W35 HydrophobicContact CD2-CG 3.73Å; L31-W35 HydrophobicContact CG-CB 3.86Å; L31-W35 HydrophobicContact CG-CG 3.98Å
32	G	44.8	Very low	42.7	Very low	59 Å²	59	109.9 Å²	109.9	61%	0.608	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	5.3	-174	0	0	0	0	0	118.2	E28	E28-G32 WeakPolarHBondContact O-CA 3.28Å; E28-G32 PolarHBondContact O-N 3.37Å
33	K	46.7	Very low	42.3	Very low	213 Å²	213	116.8 Å²	116.8	93%	0.926	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.7	-1	166.1	-79.8	-164.5	175.7	177.8	0	117.6	L31	L31-K33 PolarHBondContact O-N 2.8Å
34	K	43.5	Very low	41.6	Very low	162 Å²	162	124 Å²	124	70%	0.704	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.7	-8.8	-165.9	-129.3	177	-176.2	177.1	0	118.3	L31	L31-K34 PolarHBondContact O-N 3.13Å
35	W	36.1	Very low	40.9	Very low	69 Å²	69	128.6 Å²	128.6	26%	0.261	61%	0.607	S	S	.	*	S	Bend	trans	-104.7	-25.9	-169.1	-147.7	88.6	0	0	0	114.2	L31 E37 R38 Q39	L31-W35 HydrophobicContact CB-CB 3.6Å; L31-W35 HydrophobicContact CB-CG 4.27Å; L31-W35 HydrophobicContact CD1-CB 3.69Å; L31-W35 HydrophobicContact CD1-CD2 3.58Å; L31-W35 HydrophobicContact CD1-CE3 4.06Å; L31-W35 HydrophobicContact CD1-CG 3.43Å; L31-W35 VanDerWaalsContact CD1-CG 3.43Å; L31-W35 HydrophobicContact CD2-CB 3.77Å; L31-W35 VanDerWaalsContact CD2-CD1 3.46Å; L31-W35 HydrophobicContact CD2-CG 3.73Å; L31-W35 HydrophobicContact CG-CB 3.86Å; L31-W35 HydrophobicContact CG-CG 3.98Å; W35-E37 PolarHBondContact O-N 3.36Å; W35-E37 VanDerWaalsContact O-N 3.14Å; W35-R38 PolarHBondContact O-N 2.84Å; W35-Q39 HydrophobicContact CH2-CB 4.12Å; W35-Q39 HydrophobicContact CH2-CG 4.35Å; W35-Q39 HydrophobicContact CZ2-CG 4.46Å; W35-Q39 HydrophobicContact CZ3-CB 4.11Å
36	E	39.8	Very low	40.4	Very low	154 Å²	154	128.8 Å²	128.8	72%	0.72	62%	0.622	S	S	*	*	H	α-helix	trans	-56.7	-30.9	177.5	-72.4	-170	151.1	0	0	112.7	R38	E36-R38 VanDerWaalsContact C-N 3.32Å; E36-R38 PolarHBondContact O-N 3.29Å
37	E	42.8	Very low	39.9	Very low	186 Å²	186	138.4 Å²	138.4	87%	0.869	66%	0.657	S	S	*	*	H	α-helix	trans	-71.9	-19.2	178.7	-70.1	-175.8	160.5	0	0	114.3	W35	W35-E37 PolarHBondContact O-N 3.36Å; W35-E37 VanDerWaalsContact O-N 3.14Å
38	R	42.6	Very low	39.6	Very low	185 Å²	185	141.1 Å²	141.1	70%	0.698	68%	0.677	S	S	*	*	H	α-helix	trans	-100.7	-24.9	-167.4	-74.2	-171.8	-176.6	166.2	-0.2	116.8	W35 E36	W35-R38 PolarHBondContact O-N 2.84Å; E36-R38 VanDerWaalsContact C-N 3.32Å; E36-R38 PolarHBondContact O-N 3.29Å
39	Q	41.5	Very low	39.3	Very low	99 Å²	99	142.5 Å²	142.5	46%	0.463	69%	0.688	S	S	.	*	H	α-helix	trans	-137	-8.7	-171.1	-69.6	-61.1	-21.1	0	0	117.5	W35 G41	W35-Q39 HydrophobicContact CH2-CB 4.12Å; W35-Q39 HydrophobicContact CH2-CG 4.35Å; W35-Q39 HydrophobicContact CZ2-CG 4.46Å; W35-Q39 HydrophobicContact CZ3-CB 4.11Å; Q39-G41 PolarHBondContact O-N 2.86Å; Q39-G41 VanDerWaalsContact O-N 3.07Å
40	Y	32	Very low	38.8	Very low	165 Å²	165	138.8 Å²	138.8	65%	0.647	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	-8	-175.7	-123.2	-96.2	0	0	0	115
41	G	33.9	Very low	38.6	Very low	80 Å²	80	139.9 Å²	139.9	83%	0.825	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.3	-7.1	-174.2	0	0	0	0	0	117.2	Q39	Q39-G41 PolarHBondContact O-N 2.86Å; Q39-G41 VanDerWaalsContact O-N 3.07Å
42	R	39.9	Very low	38.5	Very low	203 Å²	203	139.6 Å²	139.6	77%	0.766	69%	0.693	S	S	*	*	S	Bend	trans	-126.2	-18.3	-166.7	-90.1	-168.4	-74.3	-154.6	-3.2	120.3
43	H	36.3	Very low	38.6	Very low	160 Å²	160	141 Å²	141	74%	0.741	69%	0.686	S	S	*	*	S	Bend	trans	-118.9	-6.8	-167.1	-84.8	-68.2	0	0	0	118.4
44	L	31.4	Very low	38.7	Very low	162 Å²	162	136.1 Å²	136.1	85%	0.848	67%	0.67	S	S	*	*			trans	-107.6	68.4	176.9	-87.9	144.4	0	0	0	111.6
45	K	32.6	Very low	38.9	Very low	195 Å²	195	131.1 Å²	131.1	85%	0.848	66%	0.659	S	S	*	*	S	Bend	trans	-142.2	86.8	162	-153.2	167	-173.3	173.9	0	112
46	S	37.4	Very low	39.4	Very low	107 Å²	107	130.3 Å²	130.3	75%	0.748	66%	0.659	S	S	*	*			trans	58	114.9	150.6	79.8	0	0	0	0	119.6
47	R	31.6	Very low	39.8	Very low	225 Å²	225	124.6 Å²	124.6	85%	0.849	64%	0.635	S	S	*	*				175.4	121.6	126.2	-110.5	174.7	151.5	155.6	-8.6	113.1
48	N	35.2	Very low	40.3	Very low	127 Å²	127	120.8 Å²	120.8	68%	0.679	62%	0.62	S	S	*	*			trans	43	114.5	151.8	-68.1	5.7	0	0	0	120.1	S50	N48-S50 PolarHBondContact O-N 3.22Å
49	D	41.3	Very low	40.8	Very low	154 Å²	154	117 Å²	117	82%	0.824	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	25	-168.8	-53.3	-37.9	0	0	0	117.3
50	S	38	Very low	41.2	Very low	94 Å²	94	114 Å²	114	66%	0.657	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.5	-27.4	172.1	70.5	0	0	0	0	114.5	N48	N48-S50 PolarHBondContact O-N 3.22Å
51	V	38.9	Very low	42.2	Very low	106 Å²	106	107.4 Å²	107.4	64%	0.642	57%	0.571	S	S	*	*	H	α-helix	trans	-86.9	-21.5	170	-175.5	0	0	0	0	110.4	A55	V51-A55 WeakPolarHBondContact O-CB 3.4Å; V51-A55 PolarHBondContact O-N 3.32Å; V51-A55 VanDerWaalsContact O-N 3.15Å
52	A	42.3	Very low	43.2	Very low	27 Å²	27	109.8 Å²	109.8	22%	0.223	56%	0.56	C	S	.	*	H	α-helix	trans	-61.2	-42.3	177.3	0	0	0	0	0	111.7	D54 A55 I56	A52-D54 PolarHBondContact O-N 2.85Å; A52-A55 PolarHBondContact O-N 3.19Å; A52-I56 HydrophobicContact CB-CD1 4.21Å; A52-I56 WeakPolarHBondContact O-CB 3.26Å; A52-I56 WeakPolarHBondContact O-CD1 3.34Å; A52-I56 WeakPolarHBondContact O-CG1 3.48Å; A52-I56 PolarHBondContact O-N 2.89Å
53	D	46.7	Very low	43.8	Very low	88 Å²	88	104.3 Å²	104.3	47%	0.471	54%	0.54	S	S	.	.	H	α-helix	trans	-64.4	-44.3	-177.8	-80.2	-3.9	0	0	0	112.2	T57	D53-T57 WeakPolarHBondContact O-CB 3.47Å; D53-T57 PolarHBondContact O-N 3.12Å; D53-T57 PolarHBondContact O-OG1 2.86Å
54	D	48	Very low	44.5	Very low	111 Å²	111	96.9 Å²	96.9	59%	0.594	51%	0.505	S	S	*	.	H	α-helix	trans	-65.5	-43.3	177	-78.6	-12.1	0	0	0	111.7	A52 T57 L58	A52-D54 PolarHBondContact O-N 2.85Å; D54-T57 PolarHBondContact O-N 3.03Å; D54-L58 WeakPolarHBondContact O-CB 3.35Å; D54-L58 PolarHBondContact O-N 2.87Å
55	A	49.2	Very low	45.7	Very low	57 Å²	57	92.3 Å²	92.3	47%	0.471	48%	0.479	S	S	.	.	H	α-helix	trans	-68.1	-39.9	-179.8	0	0	0	0	0	112.2	V51 A52 Y59	V51-A55 WeakPolarHBondContact O-CB 3.4Å; V51-A55 PolarHBondContact O-N 3.32Å; V51-A55 VanDerWaalsContact O-N 3.15Å; A52-A55 PolarHBondContact O-N 3.19Å; A55-Y59 WeakPolarHBondContact O-CB 3.41Å; A55-Y59 PolarHBondContact O-N 3.32Å
56	I	46.4	Very low	46.9	Very low	51 Å²	51	90.5 Å²	90.5	26%	0.262	47%	0.472	S	S	.	.	H	α-helix	trans	-66.9	-44.2	175	-71.6	167.8	0	0	0	109.6	A52 Y59 W60	A52-I56 HydrophobicContact CB-CD1 4.21Å; A52-I56 WeakPolarHBondContact O-CB 3.26Å; A52-I56 WeakPolarHBondContact O-CD1 3.34Å; A52-I56 WeakPolarHBondContact O-CG1 3.48Å; A52-I56 PolarHBondContact O-N 2.89Å; I56-Y59 PolarHBondContact O-N 3.4Å; I56-W60 WeakPolarHBondContact O-CB 3.46Å; I56-W60 PolarHBondContact O-N 2.94Å
57	T	48.2	Very low	47.4	Very low	35 Å²	35	87.3 Å²	87.3	22%	0.215	45%	0.446	C	S	.	.	H	α-helix	trans	-57.4	-50.1	174.6	-69.4	0	0	0	0	111.3	D53 D54 W60 A61 C88	D53-T57 WeakPolarHBondContact O-CB 3.47Å; D53-T57 PolarHBondContact O-N 3.12Å; D53-T57 PolarHBondContact O-OG1 2.86Å; D54-T57 PolarHBondContact O-N 3.03Å; T57-W60 PolarHBondContact O-N 2.93Å; T57-A61 WeakPolarHBondContact O-CB 3.21Å; T57-A61 PolarHBondContact O-N 3.19Å; T57-C88 HydrophobicContact CG2-CB 3.51Å
58	L	52.4	Low	48.4	Very low	105 Å²	105	76.8 Å²	76.8	55%	0.55	41%	0.406	S	S	.	.	H	α-helix	trans	-63.4	-46	176.8	-96.1	144.3	0	0	0	112.2	D54 W60 A61 E62	D54-L58 WeakPolarHBondContact O-CB 3.35Å; D54-L58 PolarHBondContact O-N 2.87Å; L58-W60 VanDerWaalsContact C-N 3.3Å; L58-W60 PolarHBondContact O-N 3.42Å; L58-A61 PolarHBondContact O-N 3.48Å; L58-E62 WeakPolarHBondContact O-CG 3.37Å; L58-E62 PolarHBondContact O-N 3.14Å
59	Y	54.4	Low	49.4	Very low	107 Å²	107	78.4 Å²	78.4	42%	0.42	40%	0.403	S	S	.	.	H	α-helix	trans	-56.6	-47.2	177.1	171.2	-95.2	0	0	0	111.2	A55 I56 R63	A55-Y59 WeakPolarHBondContact O-CB 3.41Å; A55-Y59 PolarHBondContact O-N 3.32Å; I56-Y59 PolarHBondContact O-N 3.4Å; Y59-R63 WeakPolarHBondContact O-CB 3.4Å; Y59-R63 PolarHBondContact O-N 3.04Å; Y59-R63 VanDerWaalsContact O-N 3.08Å
60	W	49.5	Very low	50	Low	35 Å²	35	73.7 Å²	73.7	13%	0.133	39%	0.39	C	S	.	.	H	α-helix	trans	-68.2	-47.7	177.6	-74.5	126	0	0	0	110.8	I56 T57 L58 E62 R63 Y64 E96 A99	I56-W60 WeakPolarHBondContact O-CB 3.46Å; I56-W60 PolarHBondContact O-N 2.94Å; T57-W60 PolarHBondContact O-N 2.93Å; L58-W60 VanDerWaalsContact C-N 3.3Å; L58-W60 PolarHBondContact O-N 3.42Å; W60-E62 VanDerWaalsContact C-N 3.3Å; W60-E62 PolarHBondContact O-N 3.44Å; W60-R63 HydrophobicContact CE3-CB 4.34Å; W60-R63 CarbonylContact O-C 3.38Å; W60-R63 WeakPolarHBondContact O-CA 3.1Å; W60-R63 PolarHBondContact O-N 2.79Å; W60-Y64 HydrophobicContact CB-CD2 3.95Å; W60-Y64 HydrophobicContact CB-CE2 3.95Å; W60-Y64 HydrophobicContact CG-CE2 4.47Å; W60-Y64 WeakPolarHBondContact O-CB 3.26Å; W60-Y64 WeakPolarHBondContact O-CD2 3.36Å; W60-Y64 PolarHBondContact O-N 3.33Å; W60-E96 HydrophobicContact CZ2-CG 4.37Å; W60-A99 HydrophobicContact CD2-CB 4.07Å; W60-A99 HydrophobicContact CE3-CB 3.5Å; W60-A99 HydrophobicContact CH2-CB 3.02Å; W60-A99 HydrophobicContact CZ2-CB 3.6Å; W60-A99 HydrophobicContact CZ3-CB 2.98Å
61	A	52.2	Low	50.7	Low	27 Å²	27	78.6 Å²	78.6	22%	0.223	39%	0.394	C	S	.	.	H	α-helix	trans	-52.5	-46.8	178	0	0	0	0	0	111.9	T57 L58 R63 E65 I84	T57-A61 WeakPolarHBondContact O-CB 3.21Å; T57-A61 PolarHBondContact O-N 3.19Å; L58-A61 PolarHBondContact O-N 3.48Å; A61-R63 PolarHBondContact O-N 3.02Å; A61-E65 VanDerWaalsContact O-CB 3.27Å; A61-E65 WeakPolarHBondContact O-CB 3.12Å; A61-E65 PolarHBondContact O-N 3.48Å; A61-I84 HydrophobicContact CB-CG2 3.79Å
62	E	56.1	Low	51	Low	130 Å²	130	74.8 Å²	74.8	61%	0.607	37%	0.371	S	S	*	.	H	α-helix	trans	-63	-40.9	175.5	-74.2	-174.4	173.2	0	0	112.3	L58 W60 E65 K66	L58-E62 WeakPolarHBondContact O-CG 3.37Å; L58-E62 PolarHBondContact O-N 3.14Å; W60-E62 VanDerWaalsContact C-N 3.3Å; W60-E62 PolarHBondContact O-N 3.44Å; E62-E65 PolarHBondContact O-N 3.38Å; E62-K66 WeakPolarHBondContact O-CB 3.3Å; E62-K66 PolarHBondContact O-N 2.87Å
63	R	52.5	Low	51.1	Low	87 Å²	87	78.5 Å²	78.5	33%	0.328	38%	0.384	S	S	.	.	H	α-helix	trans	-71.5	-42.6	-179.5	-163.5	158.8	-179	99.1	-3.9	111.9	Y59 W60 A61 K66 I67 E103	Y59-R63 WeakPolarHBondContact O-CB 3.4Å; Y59-R63 PolarHBondContact O-N 3.04Å; Y59-R63 VanDerWaalsContact O-N 3.08Å; W60-R63 HydrophobicContact CE3-CB 4.34Å; W60-R63 CarbonylContact O-C 3.38Å; W60-R63 WeakPolarHBondContact O-CA 3.1Å; W60-R63 PolarHBondContact O-N 2.79Å; A61-R63 PolarHBondContact O-N 3.02Å; R63-K66 WeakPolarHBondContact O-CB 3.35Å; R63-K66 PolarHBondContact O-N 2.88Å; R63-I67 HydrophobicContact CG-CD1 4.49Å; R63-I67 VanDerWaalsContact O-CG1 3.3Å; R63-I67 WeakPolarHBondContact O-CG1 3.47Å; R63-I67 PolarHBondContact O-N 3.4Å; R63-E103 IonicContact CZ-OE1 2.65Å; R63-E103 IonicContact NH2-OE1 3.91Å; R63-E103 PolarHBondContact NH2-OE1 3.33Å
64	Y	50.6	Low	51.5	Low	4 Å²	4	78.7 Å²	78.7	2%	0.016	39%	0.392	C	S	.	.	H	α-helix	trans	-57.2	-48.3	169.9	-85.6	-81.4	0	0	0	110.2	W60 K66 I67 L68 I98 M102 L118	W60-Y64 HydrophobicContact CB-CD2 3.95Å; W60-Y64 HydrophobicContact CB-CE2 3.95Å; W60-Y64 HydrophobicContact CG-CE2 4.47Å; W60-Y64 WeakPolarHBondContact O-CB 3.26Å; W60-Y64 WeakPolarHBondContact O-CD2 3.36Å; W60-Y64 PolarHBondContact O-N 3.33Å; Y64-K66 VanDerWaalsContact C-N 3.29Å; Y64-K66 PolarHBondContact O-N 3.11Å; Y64-I67 PolarHBondContact O-N 2.94Å; Y64-L68 WeakPolarHBondContact O-CB 3.15Å; Y64-L68 VanDerWaalsContact O-CG 3.25Å; Y64-L68 WeakPolarHBondContact O-CG 3.27Å; Y64-L68 PolarHBondContact O-N 2.94Å; Y64-I98 HydrophobicContact CE1-CG2 4.5Å; Y64-I98 WeakPolarHBondContact OH-CG2 3.34Å; Y64-M102 HydrophobicContact CD1-CE 3.55Å; Y64-M102 HydrophobicContact CD1-SD 3.34Å; Y64-M102 WeakPolarHBondContact CD1-SD 3.3Å; Y64-M102 HydrophobicContact CE1-CE 3.46Å; Y64-M102 VanDerWaalsContact CE1-CE 3.46Å; Y64-M102 HydrophobicContact CE1-CG 4.32Å; Y64-M102 HydrophobicContact CE1-SD 2.91Å; Y64-M102 WeakPolarHBondContact CE1-SD 3.36Å; Y64-M102 HydrophobicContact CE2-SD 4.37Å; Y64-M102 HydrophobicContact CG-SD 4.25Å; Y64-L118 HydrophobicContact CE1-CD2 4.04Å
65	E	55.9	Low	51.5	Low	66 Å²	66	78.4 Å²	78.4	31%	0.308	38%	0.383	S	S	.	.	H	α-helix	trans	-61.4	-39.6	178.8	-159.4	-163.1	162	0	0	111.4	A61 E62 L68 R69	A61-E65 VanDerWaalsContact O-CB 3.27Å; A61-E65 WeakPolarHBondContact O-CB 3.12Å; A61-E65 PolarHBondContact O-N 3.48Å; E62-E65 PolarHBondContact O-N 3.38Å; E65-L68 PolarHBondContact O-N 3.06Å; E65-R69 VanDerWaalsContact O-CB 3.28Å; E65-R69 WeakPolarHBondContact O-CB 3.3Å; E65-R69 WeakPolarHBondContact O-CG 3.25Å; E65-R69 PolarHBondContact O-N 3.09Å; E65-R69 IonicContact OE1-CZ 3.88Å; E65-R69 IonicContact OE1-NE 3.33Å; E65-R69 PolarHBondContact OE1-NE 3.33Å; E65-R69 IonicContact OE1-NH2 3.94Å; E65-R69 PolarHBondContact OE1-NH2 2.78Å; E65-R69 IonicContact OE2-NH2 2.77Å
66	K	57.3	Low	51.2	Low	157 Å²	157	75.7 Å²	75.7	68%	0.683	36%	0.361	S	S	*	.	H	α-helix	trans	-64.9	-41.4	175.7	-169.8	177.2	-178.8	178.2	0	112.4	E62 R63 Y64 R69 G70	E62-K66 WeakPolarHBondContact O-CB 3.3Å; E62-K66 PolarHBondContact O-N 2.87Å; R63-K66 WeakPolarHBondContact O-CB 3.35Å; R63-K66 PolarHBondContact O-N 2.88Å; Y64-K66 VanDerWaalsContact C-N 3.29Å; Y64-K66 PolarHBondContact O-N 3.11Å; K66-R69 PolarHBondContact O-N 3.31Å; K66-G70 PolarHBondContact O-N 3.34Å
67	I	49.8	Very low	51.3	Low	41 Å²	41	77.6 Å²	77.6	21%	0.21	36%	0.364	C	S	.	.	H	α-helix	trans	-63.2	-47.9	174.3	-67.8	165.2	0	0	0	109.6	R63 Y64 R69 G70 T72 M102 L114	R63-I67 HydrophobicContact CG-CD1 4.49Å; R63-I67 VanDerWaalsContact O-CG1 3.3Å; R63-I67 WeakPolarHBondContact O-CG1 3.47Å; R63-I67 PolarHBondContact O-N 3.4Å; Y64-I67 PolarHBondContact O-N 2.94Å; I67-R69 VanDerWaalsContact C-N 3.32Å; I67-R69 PolarHBondContact O-N 2.8Å; I67-G70 PolarHBondContact O-N 2.76Å; I67-T72 PolarHBondContact O-OG1 2.8Å; I67-M102 HydrophobicContact CD1-CB 4.16Å; I67-M102 HydrophobicContact CD1-CE 4.41Å; I67-M102 HydrophobicContact CD1-SD 4.04Å; I67-M102 HydrophobicContact CG2-CE 4.26Å; I67-L114 HydrophobicContact CG2-CD2 3.92Å
68	L	50.7	Low	51.6	Low	3 Å²	3	81.2 Å²	81.2	2%	0.016	38%	0.383	C	S	.	.	H	α-helix	trans	-64.8	-31.8	178.9	-69.1	172.2	0	0	0	113.1	Y64 E65 G70 T72 L76 F80	Y64-L68 WeakPolarHBondContact O-CB 3.15Å; Y64-L68 VanDerWaalsContact O-CG 3.25Å; Y64-L68 WeakPolarHBondContact O-CG 3.27Å; Y64-L68 PolarHBondContact O-N 2.94Å; E65-L68 PolarHBondContact O-N 3.06Å; L68-G70 VanDerWaalsContact C-N 3.29Å; L68-T72 WeakPolarHBondContact CA-OG1 3.34Å; L68-T72 HydrophobicContact CD2-CG2 3.79Å; L68-L76 HydrophobicContact CD2-CB 4.49Å; L68-F80 HydrophobicContact CD1-CB 3.89Å
69	R	56.4	Low	51.3	Low	162 Å²	162	78.4 Å²	78.4	61%	0.611	37%	0.368	S	S	*	.	H	α-helix	trans	-67.7	-28.9	171.4	-81.6	170	-178	-136.3	11.1	112.3	E65 K66 I67	E65-R69 VanDerWaalsContact O-CB 3.28Å; E65-R69 WeakPolarHBondContact O-CB 3.3Å; E65-R69 WeakPolarHBondContact O-CG 3.25Å; E65-R69 PolarHBondContact O-N 3.09Å; E65-R69 IonicContact OE1-CZ 3.88Å; E65-R69 IonicContact OE1-NE 3.33Å; E65-R69 PolarHBondContact OE1-NE 3.33Å; E65-R69 IonicContact OE1-NH2 3.94Å; E65-R69 PolarHBondContact OE1-NH2 2.78Å; E65-R69 IonicContact OE2-NH2 2.77Å; K66-R69 PolarHBondContact O-N 3.31Å; I67-R69 VanDerWaalsContact C-N 3.32Å; I67-R69 PolarHBondContact O-N 2.8Å
70	G	55.1	Low	50.8	Low	54 Å²	54	73.4 Å²	73.4	56%	0.557	35%	0.348	S	S	*	.	H	α-helix	trans	-72.8	-33.7	-168.2	0	0	0	0	0	114.9	K66 I67 L68	K66-G70 PolarHBondContact O-N 3.34Å; I67-G70 PolarHBondContact O-N 2.76Å; L68-G70 VanDerWaalsContact C-N 3.29Å
71	R	52	Low	51	Low	197 Å²	197	75.2 Å²	75.2	74%	0.743	36%	0.363	S	S	*	.	H	α-helix	trans	-170.3	-6.8	-173.1	-108.8	165.5	-134.2	-172	1	116
72	T	44.4	Very low	50.8	Low	26 Å²	26	78.5 Å²	78.5	16%	0.16	38%	0.382	C	S	.	.			trans	-81.1	139	-166.5	-32.6	0	0	0	0	110.9	I67 L68 S74 L76 E115	I67-T72 PolarHBondContact O-OG1 2.8Å; L68-T72 WeakPolarHBondContact CA-OG1 3.34Å; L68-T72 HydrophobicContact CD2-CG2 3.79Å; T72-S74 PolarHBondContact O-N 2.74Å; T72-L76 HydrophobicContact CG2-CB 3.85Å; T72-L76 HydrophobicContact CG2-CD1 3.47Å; T72-L76 VanDerWaalsContact CG2-CD1 3.47Å; T72-L76 HydrophobicContact CG2-CG 4.31Å; T72-E115 HydrophobicContact CG2-CG 4.07Å; T72-E115 WeakPolarHBondContact CG2-OE1 3.31Å
73	H	46.2	Very low	50.2	Low	105 Å²	105	73.4 Å²	73.4	49%	0.486	36%	0.359	S	S	.	.			trans	-54	137.5	-179.4	-74.8	-87	0	0	0	110.7	W75 L76 E115	H73-W75 HydrophobicContact CB-CG 4.36Å; H73-W75 VanDerWaalsContact CB-NE1 3.29Å; H73-W75 AromaticContact CG-NE1 3.91Å; H73-W75 PolarHBondContact O-N 2.86Å; H73-L76 WeakPolarHBondContact O-CB 3.41Å; H73-L76 PolarHBondContact O-N 2.76Å; H73-E115 IonicContact CD2-OE1 2.87Å; H73-E115 PolarHBondContact CD2-OE1 3.25Å; H73-E115 IonicContact CD2-OE2 3.17Å
74	S	54.3	Low	49.9	Very low	92 Å²	92	70.1 Å²	70.1	64%	0.643	35%	0.348	S	S	*	.	H	α-helix	trans	-51	-35.2	-173.8	64.8	0	0	0	0	113.4	T72 L76 R77 D78	T72-S74 PolarHBondContact O-N 2.74Å; S74-L76 PolarHBondContact O-N 3.33Å; S74-R77 WeakPolarHBondContact O-CB 3.46Å; S74-R77 PolarHBondContact O-N 3.17Å; S74-D78 PolarHBondContact O-N 3.47Å
75	W	47.9	Very low	49.6	Very low	106 Å²	106	72.2 Å²	72.2	40%	0.402	37%	0.371	S	S	.	.	H	α-helix	trans	-61.3	-30.5	178.7	74.4	-96.2	0	0	0	113.2	H73 D78 L79 F119	H73-W75 HydrophobicContact CB-CG 4.36Å; H73-W75 VanDerWaalsContact CB-NE1 3.29Å; H73-W75 AromaticContact CG-NE1 3.91Å; H73-W75 PolarHBondContact O-N 2.86Å; W75-D78 PolarHBondContact O-N 3.36Å; W75-L79 HydrophobicContact CZ3-CD2 4.22Å; W75-L79 WeakPolarHBondContact O-CB 3.12Å; W75-L79 PolarHBondContact O-N 3.12Å; W75-F119 HydrophobicContact CH2-CD2 4.49Å; W75-F119 HydrophobicContact CZ3-CD2 4.4Å
76	L	43.5	Very low	49.1	Very low	0 Å²	0	71.1 Å²	71.1	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-74.6	-34.2	174.7	-81.6	161.7	0	0	0	111.9	L68 T72 H73 S74 D78 L79 F80 E115	L68-L76 HydrophobicContact CD2-CB 4.49Å; T72-L76 HydrophobicContact CG2-CB 3.85Å; T72-L76 HydrophobicContact CG2-CD1 3.47Å; T72-L76 VanDerWaalsContact CG2-CD1 3.47Å; T72-L76 HydrophobicContact CG2-CG 4.31Å; H73-L76 WeakPolarHBondContact O-CB 3.41Å; H73-L76 PolarHBondContact O-N 2.76Å; S74-L76 PolarHBondContact O-N 3.33Å; L76-D78 VanDerWaalsContact C-N 3.26Å; L76-D78 PolarHBondContact O-N 3.17Å; L76-L79 PolarHBondContact O-N 2.8Å; L76-F80 HydrophobicContact CB-CD2 4.36Å; L76-F80 HydrophobicContact CD2-CD2 3.79Å; L76-F80 HydrophobicContact CD2-CE2 3.47Å; L76-F80 VanDerWaalsContact CD2-CE2 3.47Å; L76-F80 WeakPolarHBondContact O-CB 3.45Å; L76-F80 VanDerWaalsContact O-CD2 3.26Å; L76-F80 WeakPolarHBondContact O-CD2 3.23Å; L76-F80 PolarHBondContact O-N 3.49Å; L76-E115 HydrophobicContact CD1-CB 3.57Å; L76-E115 HydrophobicContact CD1-CG 3.19Å; L76-E115 WeakPolarHBondContact CD1-OE1 3.19Å
77	R	48.7	Very low	48.4	Very low	90 Å²	90	63.9 Å²	63.9	34%	0.34	34%	0.341	S	S	.	.	H	α-helix	trans	-60.8	-44.3	169.9	-172	-170.7	-75.3	-146.1	5.7	109.9	S74 L79 F80 V81	S74-R77 WeakPolarHBondContact O-CB 3.46Å; S74-R77 PolarHBondContact O-N 3.17Å; R77-L79 PolarHBondContact O-N 3.36Å; R77-F80 PolarHBondContact O-N 3.1Å; R77-V81 HydrophobicContact CG-CB 4.42Å; R77-V81 HydrophobicContact CG-CG2 3.42Å; R77-V81 VanDerWaalsContact CG-CG2 3.42Å; R77-V81 VanDerWaalsContact O-CB 3.27Å; R77-V81 WeakPolarHBondContact O-CB 3.33Å; R77-V81 VanDerWaalsContact O-CG2 3.32Å; R77-V81 WeakPolarHBondContact O-CG2 3.31Å; R77-V81 PolarHBondContact O-N 3.22Å
78	D	53.4	Low	48.1	Very low	112 Å²	112	62.6 Å²	62.6	60%	0.599	34%	0.336	S	S	*	.	H	α-helix	trans	-66.6	-28.5	179.8	-59.1	-26.7	0	0	0	112.3	S74 W75 L76 P82	S74-D78 PolarHBondContact O-N 3.47Å; W75-D78 PolarHBondContact O-N 3.36Å; L76-D78 VanDerWaalsContact C-N 3.26Å; L76-D78 PolarHBondContact O-N 3.17Å; D78-P82 WeakPolarHBondContact O-CD 3.27Å; D78-P82 VanDerWaalsContact O-CG 3.26Å; D78-P82 WeakPolarHBondContact O-CG 3.2Å
79	L	46.2	Very low	47.8	Very low	46 Å²	46	70.8 Å²	70.8	24%	0.241	37%	0.374	C	S	.	.	H	α-helix	trans	-78.7	-47	172.4	-164.7	73.4	0	0	0	111.7	W75 L76 R77 N83 F119	W75-L79 HydrophobicContact CZ3-CD2 4.22Å; W75-L79 WeakPolarHBondContact O-CB 3.12Å; W75-L79 PolarHBondContact O-N 3.12Å; L76-L79 PolarHBondContact O-N 2.8Å; R77-L79 PolarHBondContact O-N 3.36Å; L79-N83 WeakPolarHBondContact O-CB 3.35Å; L79-N83 PolarHBondContact O-ND2 2.68Å; L79-F119 HydrophobicContact CD2-CD2 4.11Å
80	F	45.1	Very low	47.3	Very low	1 Å²	1	64.6 Å²	64.6	0%	0.004	36%	0.355	C	S	.	.	H	α-helix	trans	-83	-42.3	-170.9	-81.4	-77.1	0	0	0	113.3	L68 L76 R77 N83 I84 I87 L118 A122	L68-F80 HydrophobicContact CD1-CB 3.89Å; L76-F80 HydrophobicContact CB-CD2 4.36Å; L76-F80 HydrophobicContact CD2-CD2 3.79Å; L76-F80 HydrophobicContact CD2-CE2 3.47Å; L76-F80 VanDerWaalsContact CD2-CE2 3.47Å; L76-F80 WeakPolarHBondContact O-CB 3.45Å; L76-F80 VanDerWaalsContact O-CD2 3.26Å; L76-F80 WeakPolarHBondContact O-CD2 3.23Å; L76-F80 PolarHBondContact O-N 3.49Å; R77-F80 PolarHBondContact O-N 3.1Å; F80-N83 CarbonylContact O-C 3.56Å; F80-N83 WeakPolarHBondContact O-CA 3.33Å; F80-N83 PolarHBondContact O-N 2.94Å; F80-I84 WeakPolarHBondContact O-CG1 3.32Å; F80-I84 PolarHBondContact O-N 2.81Å; F80-I87 HydrophobicContact CD1-CD1 3.45Å; F80-I87 VanDerWaalsContact CD1-CD1 3.45Å; F80-I87 HydrophobicContact CE1-CD1 3.54Å; F80-L118 HydrophobicContact CD1-CD2 4.38Å; F80-L118 HydrophobicContact CD2-CD1 4.35Å; F80-L118 HydrophobicContact CE1-CB 3.94Å; F80-L118 HydrophobicContact CE1-CD2 3.96Å; F80-L118 HydrophobicContact CE1-CG 4.41Å; F80-L118 HydrophobicContact CE2-CB 3.68Å; F80-L118 HydrophobicContact CE2-CD1 4.22Å; F80-L118 HydrophobicContact CE2-CG 4.48Å; F80-L118 VanDerWaalsContact CZ-C 3.4Å; F80-L118 HydrophobicContact CZ-CB 3.4Å; F80-L118 HydrophobicContact CZ-CD1 4.46Å; F80-L118 HydrophobicContact CZ-CD2 4.3Å; F80-L118 HydrophobicContact CZ-CG 4.27Å; F80-L118 VanDerWaalsContact CZ-O 3.28Å; F80-L118 WeakPolarHBondContact CZ-O 3.14Å; F80-A122 HydrophobicContact CE1-CB 4.32Å; F80-A122 HydrophobicContact CZ-CB 4.04Å
81	V	52.9	Low	47.1	Very low	74 Å²	74	65.8 Å²	65.8	45%	0.448	35%	0.349	S	S	.	.	H	α-helix	trans	-58.1	-44.1	-174.4	172.7	0	0	0	0	112.9	R77 N83	R77-V81 HydrophobicContact CG-CB 4.42Å; R77-V81 HydrophobicContact CG-CG2 3.42Å; R77-V81 VanDerWaalsContact CG-CG2 3.42Å; R77-V81 VanDerWaalsContact O-CB 3.27Å; R77-V81 WeakPolarHBondContact O-CB 3.33Å; R77-V81 VanDerWaalsContact O-CG2 3.32Å; R77-V81 WeakPolarHBondContact O-CG2 3.31Å; R77-V81 PolarHBondContact O-N 3.22Å; V81-N83 VanDerWaalsContact C-N 3.27Å; V81-N83 PolarHBondContact O-N 3.32Å
82	P	47.8	Very low	47.1	Very low	96 Å²	96	57.6 Å²	57.6	62%	0.623	32%	0.323	S	S	*	.	H	α-helix	trans	-69.8	-25.2	174.9	-17.9	32.4	0	0	0	113.4	D78	D78-P82 WeakPolarHBondContact O-CD 3.27Å; D78-P82 VanDerWaalsContact O-CG 3.26Å; D78-P82 WeakPolarHBondContact O-CG 3.2Å
83	N	44.3	Very low	47.2	Very low	22 Å²	22	59 Å²	59	12%	0.118	33%	0.331	C	S	.	.	H	α-helix	trans	-99.9	-7	-174.4	-67.6	-55	0	0	0	113.6	L79 F80 V81 G85 A86 I87 R126	L79-N83 WeakPolarHBondContact O-CB 3.35Å; L79-N83 PolarHBondContact O-ND2 2.68Å; F80-N83 CarbonylContact O-C 3.56Å; F80-N83 WeakPolarHBondContact O-CA 3.33Å; F80-N83 PolarHBondContact O-N 2.94Å; V81-N83 VanDerWaalsContact C-N 3.27Å; V81-N83 PolarHBondContact O-N 3.32Å; N83-G85 PolarHBondContact O-N 2.77Å; N83-A86 WeakPolarHBondContact O-CB 3.5Å; N83-A86 PolarHBondContact O-N 3.46Å; N83-I87 WeakPolarHBondContact O-CG1 3.47Å; N83-I87 PolarHBondContact O-N 3.42Å; N83-R126 VanDerWaalsContact CG-NH2 3.35Å; N83-R126 PolarHBondContact ND2-NH2 2.83Å; N83-R126 PolarHBondContact OD1-NH2 2.81Å
84	I	46.6	Very low	47.5	Very low	19 Å²	19	54.9 Å²	54.9	10%	0.097	31%	0.313	C	S	.	.	H	α-helix	trans	-55.3	-39.4	179	-88.8	168	0	0	0	110.2	A61 F80 A86 I87 C88	A61-I84 HydrophobicContact CB-CG2 3.79Å; F80-I84 WeakPolarHBondContact O-CG1 3.32Å; F80-I84 PolarHBondContact O-N 2.81Å; I84-A86 VanDerWaalsContact C-N 3.27Å; I84-A86 PolarHBondContact O-N 3.39Å; I84-I87 CarbonylContact O-C 3.59Å; I84-I87 PolarHBondContact O-N 2.85Å; I84-C88 WeakPolarHBondContact O-CB 3.38Å; I84-C88 PolarHBondContact O-N 3.31Å; I84-C88 PolarHBondContact O-SG 3.25Å
85	G	43.6	Very low	47.5	Very low	48 Å²	48	50.6 Å²	50.6	50%	0.495	28%	0.282	S	S	.	.	H	α-helix	trans	-61.9	-34.4	177.2	0	0	0	0	0	113.6	N83 C88 H89	N83-G85 PolarHBondContact O-N 2.77Å; G85-C88 PolarHBondContact O-N 3.05Å; G85-H89 PolarHBondContact O-N 3.11Å; G85-H89 VanDerWaalsContact O-N 3.14Å
86	A	45.1	Very low	47.9	Very low	42 Å²	42	50.8 Å²	50.8	35%	0.347	29%	0.288	S	S	.	.	H	α-helix	trans	-76.8	-40.8	178.2	0	0	0	0	0	110.9	N83 I84 C88 H89 E125	N83-A86 WeakPolarHBondContact O-CB 3.5Å; N83-A86 PolarHBondContact O-N 3.46Å; I84-A86 VanDerWaalsContact C-N 3.27Å; I84-A86 PolarHBondContact O-N 3.39Å; A86-C88 VanDerWaalsContact C-N 3.26Å; A86-C88 PolarHBondContact O-N 2.93Å; A86-H89 WeakPolarHBondContact O-CA 3.49Å; A86-H89 VanDerWaalsContact O-CB 3.26Å; A86-H89 WeakPolarHBondContact O-CB 3.42Å; A86-H89 PolarHBondContact O-N 3.39Å; A86-E125 WeakPolarHBondContact CA-OE1 3.37Å; A86-E125 WeakPolarHBondContact CB-OE1 3.17Å
87	I	41.9	Very low	48.4	Very low	6 Å²	6	51.1 Å²	51.1	3%	0.031	29%	0.29	C	S	.	.	H	α-helix	trans	-60.9	-36.6	169.7	-61.4	166.6	0	0	0	111.1	F80 N83 I84 H89 C90 L95 E125	F80-I87 HydrophobicContact CD1-CD1 3.45Å; F80-I87 VanDerWaalsContact CD1-CD1 3.45Å; F80-I87 HydrophobicContact CE1-CD1 3.54Å; N83-I87 WeakPolarHBondContact O-CG1 3.47Å; N83-I87 PolarHBondContact O-N 3.42Å; I84-I87 CarbonylContact O-C 3.59Å; I84-I87 PolarHBondContact O-N 2.85Å; I87-H89 VanDerWaalsContact C-N 3.25Å; I87-H89 PolarHBondContact O-N 3.45Å; I87-C90 WeakPolarHBondContact O-CB 3.44Å; I87-C90 PolarHBondContact O-N 2.67Å; I87-C90 PolarHBondContact O-SG 2.89Å; I87-C90 VanDerWaalsContact O-SG 3.36Å; I87-L95 HydrophobicContact CG2-CD2 3.97Å; I87-E125 PolarHBondContact N-OE1 2.88Å
88	C	43.4	Very low	48.9	Very low	14 Å²	14	47.3 Å²	47.3	10%	0.095	28%	0.276	C	S	.	.	H	α-helix	trans	-72.4	-20.8	177.5	-74.1	0	0	0	0	113	T57 I84 G85 A86 C90 L95	T57-C88 HydrophobicContact CG2-CB 3.51Å; I84-C88 WeakPolarHBondContact O-CB 3.38Å; I84-C88 PolarHBondContact O-N 3.31Å; I84-C88 PolarHBondContact O-SG 3.25Å; G85-C88 PolarHBondContact O-N 3.05Å; A86-C88 VanDerWaalsContact C-N 3.26Å; A86-C88 PolarHBondContact O-N 2.93Å; C88-C90 PolarHBondContact O-N 2.76Å; C88-L95 HydrophobicContact CB-CD1 4.46Å
89	H	44.6	Very low	49.2	Very low	174 Å²	174	42.2 Å²	42.2	81%	0.806	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-12.5	168.7	-126.6	-53.3	0	0	0	112.5	G85 A86 I87	G85-H89 PolarHBondContact O-N 3.11Å; G85-H89 VanDerWaalsContact O-N 3.14Å; A86-H89 WeakPolarHBondContact O-CA 3.49Å; A86-H89 VanDerWaalsContact O-CB 3.26Å; A86-H89 WeakPolarHBondContact O-CB 3.42Å; A86-H89 PolarHBondContact O-N 3.39Å; I87-H89 VanDerWaalsContact C-N 3.25Å; I87-H89 PolarHBondContact O-N 3.45Å
90	C	45.9	Very low	49.8	Very low	33 Å²	33	41.9 Å²	41.9	22%	0.223	25%	0.25	C	S	.	.	S	Bend	trans	-65.5	137.9	166.5	-61.6	0	0	0	0	109.1	I87 C88 A92 L94	I87-C90 WeakPolarHBondContact O-CB 3.44Å; I87-C90 PolarHBondContact O-N 2.67Å; I87-C90 PolarHBondContact O-SG 2.89Å; I87-C90 VanDerWaalsContact O-SG 3.36Å; C88-C90 PolarHBondContact O-N 2.76Å; C90-A92 PolarHBondContact O-N 3.21Å; C90-L94 HydrophobicContact CB-CB 4.14Å; C90-L94 HydrophobicContact CB-CD2 3.58Å
91	N	51.3	Low	50.3	Low	79 Å²	79	42.8 Å²	42.8	42%	0.422	26%	0.255	S	S	.	.			trans	-39.5	130.1	175.5	-175.5	-29.4	0	0	0	110.9	L16 V93 L94	L16-N91 HydrophobicContact CD1-CB 3.44Å; L16-N91 VanDerWaalsContact CD1-CB 3.44Å; L16-N91 WeakPolarHBondContact CD1-ND2 3.37Å; L16-N91 HydrophobicContact CD2-CB 3.68Å; L16-N91 HydrophobicContact CG-CB 4.25Å; N91-V93 PolarHBondContact O-N 2.8Å; N91-V93 WeakPolarHBondContact OD1-CB 3.39Å; N91-V93 WeakPolarHBondContact OD1-CG2 3.49Å; N91-V93 PolarHBondContact OD1-N 3.27Å; N91-L94 WeakPolarHBondContact O-CB 3.49Å; N91-L94 PolarHBondContact O-N 3.29Å
92	A	52.1	Low	50.7	Low	24 Å²	24	39.3 Å²	39.3	20%	0.198	23%	0.234	C	C	.	.	H	α-helix	trans	-45.8	-31.6	-175.1	0	0	0	0	0	113.6	C90 L94 L95 E96	C90-A92 PolarHBondContact O-N 3.21Å; A92-L94 PolarHBondContact O-N 3.04Å; A92-L95 WeakPolarHBondContact O-CB 3.02Å; A92-L95 PolarHBondContact O-N 3.37Å; A92-E96 PolarHBondContact O-N 3.3Å
93	V	47.7	Very low	51.3	Low	55 Å²	55	37.5 Å²	37.5	33%	0.333	22%	0.217	S	C	.	.	H	α-helix	trans	-60.4	-38.8	175.6	172.9	0	0	0	0	113.4	V20 N91 S97	V20-V93 HydrophobicContact CB-CG1 4.28Å; V20-V93 HydrophobicContact CG2-CB 4.36Å; V20-V93 HydrophobicContact CG2-CG1 2.95Å; N91-V93 PolarHBondContact O-N 2.8Å; N91-V93 WeakPolarHBondContact OD1-CB 3.39Å; N91-V93 WeakPolarHBondContact OD1-CG2 3.49Å; N91-V93 PolarHBondContact OD1-N 3.27Å; V93-S97 WeakPolarHBondContact O-CB 3.48Å; V93-S97 PolarHBondContact O-N 2.9Å; V93-S97 PolarHBondContact O-OG 3.38Å
94	L	52.5	Low	51.8	Low	19 Å²	19	37.4 Å²	37.4	10%	0.099	22%	0.217	C	C	.	.	H	α-helix	trans	-68.5	-40.2	172.2	-158.9	78.8	0	0	0	111.6	L16 I19 C90 N91 A92 S97 I98	L16-L94 HydrophobicContact CD2-CB 3.52Å; L16-L94 HydrophobicContact CD2-CD1 3.8Å; L16-L94 HydrophobicContact CD2-CG 4.23Å; I19-L94 HydrophobicContact CB-CD1 4.1Å; I19-L94 HydrophobicContact CD1-CD1 3.45Å; I19-L94 VanDerWaalsContact CD1-CD1 3.45Å; I19-L94 HydrophobicContact CG1-CD1 4.35Å; I19-L94 HydrophobicContact CG2-CD1 3.82Å; C90-L94 HydrophobicContact CB-CB 4.14Å; C90-L94 HydrophobicContact CB-CD2 3.58Å; N91-L94 WeakPolarHBondContact O-CB 3.49Å; N91-L94 PolarHBondContact O-N 3.29Å; A92-L94 PolarHBondContact O-N 3.04Å; L94-S97 CarbonylContact O-C 3.55Å; L94-S97 WeakPolarHBondContact O-CB 3.27Å; L94-S97 PolarHBondContact O-N 2.81Å; L94-I98 HydrophobicContact CD2-CD1 3.74Å; L94-I98 HydrophobicContact CG-CD1 3.76Å; L94-I98 HydrophobicContact CG-CG1 4.22Å; L94-I98 WeakPolarHBondContact O-CB 3.33Å; L94-I98 VanDerWaalsContact O-CG1 3.31Å; L94-I98 WeakPolarHBondContact O-CG1 3.32Å; L94-I98 PolarHBondContact O-N 3.22Å
95	L	53.8	Low	52.4	Low	2 Å²	2	37.3 Å²	37.3	1%	0.01	22%	0.216	C	C	.	.	H	α-helix	trans	-65.6	-46.4	-178.2	-74.4	163.7	0	0	0	110.9	I87 C88 A92 S97 A99	I87-L95 HydrophobicContact CG2-CD2 3.97Å; C88-L95 HydrophobicContact CB-CD1 4.46Å; A92-L95 WeakPolarHBondContact O-CB 3.02Å; A92-L95 PolarHBondContact O-N 3.37Å; L95-S97 PolarHBondContact O-N 3.14Å; L95-A99 WeakPolarHBondContact O-CB 3.31Å; L95-A99 PolarHBondContact O-N 2.93Å
96	E	55.3	Low	53.2	Low	110 Å²	110	37.2 Å²	37.2	51%	0.514	21%	0.208	S	C	.	.	H	α-helix	trans	-56.6	-43.6	172.9	-74.8	-171.9	166.7	0	0	111.1	W60 A92 A99 V100	W60-E96 HydrophobicContact CZ2-CG 4.37Å; A92-E96 PolarHBondContact O-N 3.3Å; E96-A99 PolarHBondContact O-N 3.47Å; E96-V100 WeakPolarHBondContact O-CG2 3.29Å; E96-V100 PolarHBondContact O-N 2.99Å
97	S	54.1	Low	54.1	Low	7 Å²	7	40.9 Å²	40.9	5%	0.049	22%	0.222	C	C	.	.	H	α-helix	trans	-60.7	-59.4	179	-87	0	0	0	0	113.1	V20 L23 V93 L94 L95 A99 V100 V101	V20-S97 WeakPolarHBondContact CA-OG 3.32Å; V20-S97 WeakPolarHBondContact CG2-OG 2.98Å; L23-S97 VanDerWaalsContact CD1-O 3.27Å; L23-S97 WeakPolarHBondContact CD1-O 3.46Å; L23-S97 VanDerWaalsContact CD1-OG 3.31Å; L23-S97 WeakPolarHBondContact CD1-OG 3.16Å; V93-S97 WeakPolarHBondContact O-CB 3.48Å; V93-S97 PolarHBondContact O-N 2.9Å; V93-S97 PolarHBondContact O-OG 3.38Å; L94-S97 CarbonylContact O-C 3.55Å; L94-S97 WeakPolarHBondContact O-CB 3.27Å; L94-S97 PolarHBondContact O-N 2.81Å; L95-S97 PolarHBondContact O-N 3.14Å; S97-A99 PolarHBondContact O-N 2.91Å; S97-V100 PolarHBondContact O-N 3.07Å; S97-V100 VanDerWaalsContact O-N 3.14Å; S97-V101 PolarHBondContact O-N 3.45Å; S97-V101 VanDerWaalsContact O-N 3.11Å
98	I	59.7	Low	54.9	Low	10 Å²	10	45 Å²	45	5%	0.051	24%	0.244	C	C	.	.	H	α-helix	trans	-56.9	-43.5	178.1	-66.6	168.3	0	0	0	108.8	Y64 L94 V100 V101 M102 L118 V121	Y64-I98 HydrophobicContact CE1-CG2 4.5Å; Y64-I98 WeakPolarHBondContact OH-CG2 3.34Å; L94-I98 HydrophobicContact CD2-CD1 3.74Å; L94-I98 HydrophobicContact CG-CD1 3.76Å; L94-I98 HydrophobicContact CG-CG1 4.22Å; L94-I98 WeakPolarHBondContact O-CB 3.33Å; L94-I98 VanDerWaalsContact O-CG1 3.31Å; L94-I98 WeakPolarHBondContact O-CG1 3.32Å; L94-I98 PolarHBondContact O-N 3.22Å; I98-V100 PolarHBondContact O-N 3.33Å; I98-V101 CarbonylContact O-C 3.54Å; I98-V101 WeakPolarHBondContact O-CA 3.27Å; I98-V101 VanDerWaalsContact O-CB 3.25Å; I98-V101 WeakPolarHBondContact O-CB 3.2Å; I98-V101 PolarHBondContact O-N 2.87Å; I98-M102 HydrophobicContact CG2-CG 4Å; I98-M102 WeakPolarHBondContact O-CG 3.27Å; I98-M102 PolarHBondContact O-N 3.35Å; I98-L118 HydrophobicContact CG2-CD2 4.4Å; I98-V121 HydrophobicContact CD1-CG1 4.04Å; I98-V121 HydrophobicContact CD1-CG2 4.11Å
99	A	60.2	Low	56.1	Low	6 Å²	6	51.3 Å²	51.3	5%	0.05	27%	0.272	C	S	.	.	H	α-helix	trans	-59.6	-40.9	178.5	0	0	0	0	0	114.5	W60 L95 E96 S97 V101 M102 E103	W60-A99 HydrophobicContact CD2-CB 4.07Å; W60-A99 HydrophobicContact CE3-CB 3.5Å; W60-A99 HydrophobicContact CH2-CB 3.02Å; W60-A99 HydrophobicContact CZ2-CB 3.6Å; W60-A99 HydrophobicContact CZ3-CB 2.98Å; L95-A99 WeakPolarHBondContact O-CB 3.31Å; L95-A99 PolarHBondContact O-N 2.93Å; E96-A99 PolarHBondContact O-N 3.47Å; S97-A99 PolarHBondContact O-N 2.91Å; A99-V101 VanDerWaalsContact C-N 3.32Å; A99-M102 WeakPolarHBondContact O-CB 3.3Å; A99-M102 PolarHBondContact O-N 3.13Å; A99-M102 VanDerWaalsContact O-N 3.15Å; A99-E103 WeakPolarHBondContact O-CB 3.43Å; A99-E103 PolarHBondContact O-N 3.45Å
100	V	57.2	Low	57	Low	39 Å²	39	45.5 Å²	45.5	24%	0.236	25%	0.245	C	C	.	.	H	α-helix	trans	-61.5	-43.1	173.3	169.2	0	0	0	0	110.1	E96 S97 I98 M102 E103 M104	E96-V100 WeakPolarHBondContact O-CG2 3.29Å; E96-V100 PolarHBondContact O-N 2.99Å; S97-V100 PolarHBondContact O-N 3.07Å; S97-V100 VanDerWaalsContact O-N 3.14Å; I98-V100 PolarHBondContact O-N 3.33Å; V100-M102 VanDerWaalsContact C-N 3.31Å; V100-M102 PolarHBondContact O-N 3.35Å; V100-E103 PolarHBondContact O-N 2.87Å; V100-M104 HydrophobicContact CG1-CG 4.42Å; V100-M104 HydrophobicContact CG1-SD 3.82Å; V100-M104 WeakPolarHBondContact O-CB 3.42Å; V100-M104 VanDerWaalsContact O-CG 3.23Å; V100-M104 WeakPolarHBondContact O-CG 3.06Å; V100-M104 PolarHBondContact O-N 3.18Å
101	V	57.1	Low	57.8	Low	19 Å²	19	46 Å²	46	12%	0.115	25%	0.249	C	C	.	.	H	α-helix	trans	-57	-48.4	171.1	-175.4	0	0	0	0	110.4	L23 M26 S97 I98 A99 E103 M104 L105	L23-V101 HydrophobicContact CD1-CG2 4.15Å; L23-V101 HydrophobicContact CD2-CB 4.31Å; L23-V101 HydrophobicContact CD2-CG2 3.01Å; L23-V101 HydrophobicContact CG-CG2 4.17Å; M26-V101 HydrophobicContact CE-CG2 4.17Å; S97-V101 PolarHBondContact O-N 3.45Å; S97-V101 VanDerWaalsContact O-N 3.11Å; I98-V101 CarbonylContact O-C 3.54Å; I98-V101 WeakPolarHBondContact O-CA 3.27Å; I98-V101 VanDerWaalsContact O-CB 3.25Å; I98-V101 WeakPolarHBondContact O-CB 3.2Å; I98-V101 PolarHBondContact O-N 2.87Å; A99-V101 VanDerWaalsContact C-N 3.32Å; V101-E103 VanDerWaalsContact C-N 3.31Å; V101-E103 PolarHBondContact O-N 2.9Å; V101-M104 PolarHBondContact O-N 2.8Å; V101-L105 HydrophobicContact CG1-CD1 3.44Å; V101-L105 VanDerWaalsContact CG1-CD1 3.44Å; V101-L105 HydrophobicContact CG1-CG 3.77Å; V101-L105 WeakPolarHBondContact O-CB 3.5Å; V101-L105 VanDerWaalsContact O-CG 3.26Å; V101-L105 WeakPolarHBondContact O-CG 2.91Å; V101-L105 PolarHBondContact O-N 3.39Å
102	M	61	Low	57.9	Low	2 Å²	2	44.8 Å²	44.8	1%	0.01	24%	0.243	C	C	.	.	H	α-helix	trans	-61.7	-43.2	-175.7	-53.6	-163.7	89.9	0	0	111.9	Y64 I67 I98 A99 V100 S106 L114 L118	Y64-M102 HydrophobicContact CD1-CE 3.55Å; Y64-M102 HydrophobicContact CD1-SD 3.34Å; Y64-M102 WeakPolarHBondContact CD1-SD 3.3Å; Y64-M102 HydrophobicContact CE1-CE 3.46Å; Y64-M102 VanDerWaalsContact CE1-CE 3.46Å; Y64-M102 HydrophobicContact CE1-CG 4.32Å; Y64-M102 HydrophobicContact CE1-SD 2.91Å; Y64-M102 WeakPolarHBondContact CE1-SD 3.36Å; Y64-M102 HydrophobicContact CE2-SD 4.37Å; Y64-M102 HydrophobicContact CG-SD 4.25Å; I67-M102 HydrophobicContact CD1-CB 4.16Å; I67-M102 HydrophobicContact CD1-CE 4.41Å; I67-M102 HydrophobicContact CD1-SD 4.04Å; I67-M102 HydrophobicContact CG2-CE 4.26Å; I98-M102 HydrophobicContact CG2-CG 4Å; I98-M102 WeakPolarHBondContact O-CG 3.27Å; I98-M102 PolarHBondContact O-N 3.35Å; A99-M102 WeakPolarHBondContact O-CB 3.3Å; A99-M102 PolarHBondContact O-N 3.13Å; A99-M102 VanDerWaalsContact O-N 3.15Å; V100-M102 VanDerWaalsContact C-N 3.31Å; V100-M102 PolarHBondContact O-N 3.35Å; M102-S106 WeakPolarHBondContact O-CB 3.23Å; M102-S106 PolarHBondContact O-N 2.98Å; M102-S106 PolarHBondContact O-OG 2.77Å; M102-L114 HydrophobicContact CB-CD1 3.7Å; M102-L114 HydrophobicContact CB-CD2 4.44Å; M102-L114 HydrophobicContact CE-CD1 3.56Å; M102-L114 HydrophobicContact CE-CD2 3.94Å; M102-L114 HydrophobicContact CE-CG 3.98Å; M102-L114 HydrophobicContact CG-CD1 3.57Å; M102-L114 HydrophobicContact SD-CD1 4.4Å; M102-L118 HydrophobicContact CE-CD1 3.65Å; M102-L118 HydrophobicContact CE-CD2 3.88Å; M102-L118 HydrophobicContact CE-CG 4.07Å
103	E	60.2	Low	58.2	Low	57 Å²	57	44.7 Å²	44.7	27%	0.266	24%	0.239	S	C	.	.	H	α-helix	trans	-65.5	-45.8	178.3	-170.2	163.9	-135.8	0	0	109.9	R63 A99 V100 V101 L105 S106 D107	R63-E103 IonicContact CZ-OE1 2.65Å; R63-E103 IonicContact NH2-OE1 3.91Å; R63-E103 PolarHBondContact NH2-OE1 3.33Å; A99-E103 WeakPolarHBondContact O-CB 3.43Å; A99-E103 PolarHBondContact O-N 3.45Å; V100-E103 PolarHBondContact O-N 2.87Å; V101-E103 VanDerWaalsContact C-N 3.31Å; V101-E103 PolarHBondContact O-N 2.9Å; E103-L105 PolarHBondContact O-N 3.25Å; E103-S106 PolarHBondContact O-N 3.2Å; E103-D107 VanDerWaalsContact O-CB 3.3Å; E103-D107 WeakPolarHBondContact O-CB 3.34Å; E103-D107 PolarHBondContact O-N 3.19Å
104	M	55.3	Low	58.8	Low	21 Å²	21	42.6 Å²	42.6	10%	0.103	23%	0.226	C	C	.	.	H	α-helix	trans	-60.6	-44.7	175.7	-74	177.6	52.2	0	0	112.9	M26 V30 V100 V101 N108	M26-M104 HydrophobicContact CB-CE 4Å; M26-M104 HydrophobicContact CB-SD 4.35Å; M26-M104 HydrophobicContact CG-CE 4.46Å; M26-M104 HydrophobicContact SD-CE 4.13Å; V30-M104 HydrophobicContact CB-CE 3.56Å; V30-M104 HydrophobicContact CG1-CE 3.85Å; V30-M104 HydrophobicContact CG2-CE 3.36Å; V100-M104 HydrophobicContact CG1-CG 4.42Å; V100-M104 HydrophobicContact CG1-SD 3.82Å; V100-M104 WeakPolarHBondContact O-CB 3.42Å; V100-M104 VanDerWaalsContact O-CG 3.23Å; V100-M104 WeakPolarHBondContact O-CG 3.06Å; V100-M104 PolarHBondContact O-N 3.18Å; V101-M104 PolarHBondContact O-N 2.8Å; M104-N108 WeakPolarHBondContact O-CB 3.12Å; M104-N108 PolarHBondContact O-N 2.84Å; M104-N108 VanDerWaalsContact O-N 3.13Å; M104-N108 PolarHBondContact O-ND2 2.92Å
105	L	58.7	Low	59.1	Low	17 Å²	17	42.1 Å²	42.1	9%	0.089	22%	0.223	C	C	.	.	H	α-helix	trans	-70.2	-38.6	178.5	-67.6	-178.4	0	0	0	111.2	V101 E103 N108 Q109 Q110 V113 L114	V101-L105 HydrophobicContact CG1-CD1 3.44Å; V101-L105 VanDerWaalsContact CG1-CD1 3.44Å; V101-L105 HydrophobicContact CG1-CG 3.77Å; V101-L105 WeakPolarHBondContact O-CB 3.5Å; V101-L105 VanDerWaalsContact O-CG 3.26Å; V101-L105 WeakPolarHBondContact O-CG 2.91Å; V101-L105 PolarHBondContact O-N 3.39Å; E103-L105 PolarHBondContact O-N 3.25Å; L105-N108 CarbonylContact O-C 3.54Å; L105-N108 PolarHBondContact O-N 3.01Å; L105-Q109 PolarHBondContact O-N 3.43Å; L105-Q109 VanDerWaalsContact O-N 3.15Å; L105-Q110 HydrophobicContact CB-CB 4.33Å; L105-Q110 HydrophobicContact CD2-CB 4.01Å; L105-Q110 PolarHBondContact O-N 3.43Å; L105-V113 HydrophobicContact CD1-CB 4.06Å; L105-V113 HydrophobicContact CD1-CG1 3.76Å; L105-V113 HydrophobicContact CD2-CB 4.07Å; L105-V113 HydrophobicContact CD2-CG1 3.84Å; L105-V113 HydrophobicContact CG-CG1 4.5Å; L105-L114 HydrophobicContact CB-CB 4.14Å; L105-L114 HydrophobicContact CD1-CB 3.94Å; L105-L114 HydrophobicContact CD1-CD1 4.19Å
106	S	59.8	Low	59.3	Low	45 Å²	45	42.6 Å²	42.6	32%	0.315	23%	0.228	S	C	.	.	H	α-helix	trans	-65.3	-45.4	176.8	-63.1	0	0	0	0	111.7	M102 E103 N108 Q109	M102-S106 WeakPolarHBondContact O-CB 3.23Å; M102-S106 PolarHBondContact O-N 2.98Å; M102-S106 PolarHBondContact O-OG 2.77Å; E103-S106 PolarHBondContact O-N 3.2Å; S106-N108 PolarHBondContact O-N 3.33Å; S106-Q109 PolarHBondContact O-N 3.5Å
107	D	64.4	Low	59.8	Low	119 Å²	119	38.4 Å²	38.4	64%	0.636	21%	0.21	S	C	*	.	H	α-helix	trans	-62.6	-34.4	177.4	-79.5	-7.2	0	0	0	111.5	E103 Q109	E103-D107 VanDerWaalsContact O-CB 3.3Å; E103-D107 WeakPolarHBondContact O-CB 3.34Å; E103-D107 PolarHBondContact O-N 3.19Å; D107-Q109 VanDerWaalsContact C-N 3.25Å; D107-Q109 PolarHBondContact O-N 3.01Å
108	N	58.7	Low	60.3	Low	94 Å²	94	38.3 Å²	38.3	50%	0.503	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	5.1	174.6	-70.4	-49.8	0	0	0	113.9	M104 L105 S106 Q110	M104-N108 WeakPolarHBondContact O-CB 3.12Å; M104-N108 PolarHBondContact O-N 2.84Å; M104-N108 VanDerWaalsContact O-N 3.13Å; M104-N108 PolarHBondContact O-ND2 2.92Å; L105-N108 CarbonylContact O-C 3.54Å; L105-N108 PolarHBondContact O-N 3.01Å; S106-N108 PolarHBondContact O-N 3.33Å; N108-Q110 HydrophobicContact CB-CG 4.01Å; N108-Q110 PolarHBondContact O-N 3.31Å; N108-Q110 VanDerWaalsContact O-N 3.12Å
109	Q	67.9	Low	60.4	Low	146 Å²	146	39 Å²	39	68%	0.682	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.2	24.6	-175.5	-53.3	-178.2	11.8	0	0	113.7	L105 S106 D107 S111	L105-Q109 PolarHBondContact O-N 3.43Å; L105-Q109 VanDerWaalsContact O-N 3.15Å; S106-Q109 PolarHBondContact O-N 3.5Å; D107-Q109 VanDerWaalsContact C-N 3.25Å; D107-Q109 PolarHBondContact O-N 3.01Å; Q109-S111 PolarHBondContact O-N 2.88Å; Q109-S111 VanDerWaalsContact O-N 3.12Å
110	Q	65.1	Low	60.3	Low	52 Å²	52	39.5 Å²	39.5	24%	0.243	21%	0.213	C	C	.	.			trans	-87.6	51.7	176.4	-66.2	-175.7	-17.1	0	0	110.3	L105 N108 D112 V113 L114	L105-Q110 HydrophobicContact CB-CB 4.33Å; L105-Q110 HydrophobicContact CD2-CB 4.01Å; L105-Q110 PolarHBondContact O-N 3.43Å; N108-Q110 HydrophobicContact CB-CG 4.01Å; N108-Q110 PolarHBondContact O-N 3.31Å; N108-Q110 VanDerWaalsContact O-N 3.12Å; Q110-D112 PolarHBondContact O-N 3.48Å; Q110-V113 HydrophobicContact CB-CB 4.2Å; Q110-V113 HydrophobicContact CB-CG2 4.06Å; Q110-V113 PolarHBondContact O-N 2.77Å; Q110-L114 PolarHBondContact O-N 3.02Å
111	S	60.8	Low	60.6	Low	43 Å²	43	39.2 Å²	39.2	30%	0.301	21%	0.211	S	C	.	.	H	α-helix	trans	-56.6	-36.4	-179.6	48.7	0	0	0	0	111.6	Q109 V113 L114 E115	Q109-S111 PolarHBondContact O-N 2.88Å; Q109-S111 VanDerWaalsContact O-N 3.12Å; S111-V113 PolarHBondContact O-N 2.66Å; S111-L114 VanDerWaalsContact O-CB 3.29Å; S111-L114 WeakPolarHBondContact O-CB 3.49Å; S111-L114 PolarHBondContact O-N 3.22Å; S111-E115 VanDerWaalsContact O-CG 3.31Å; S111-E115 WeakPolarHBondContact O-CG 3.42Å; S111-E115 PolarHBondContact O-N 2.77Å
112	D	54.9	Low	60.6	Low	54 Å²	54	38.6 Å²	38.6	29%	0.289	21%	0.208	S	C	.	.	H	α-helix	trans	-66.7	-37.5	-179.4	-56.2	-63	0	0	0	113	Q110 L114 E115 A116 E162 R166	Q110-D112 PolarHBondContact O-N 3.48Å; D112-L114 VanDerWaalsContact C-N 3.28Å; D112-L114 PolarHBondContact O-N 2.99Å; D112-E115 PolarHBondContact O-N 3.15Å; D112-A116 PolarHBondContact O-N 2.78Å; D112-A116 VanDerWaalsContact O-N 3.1Å; D112-E162 HydrophobicContact CB-CG 3.99Å; D112-R166 IonicContact OD1-CZ 3.98Å; D112-R166 IonicContact OD1-NH1 2.78Å; D112-R166 PolarHBondContact OD1-NH1 2.84Å; D112-R166 IonicContact OD1-NH2 3.51Å; D112-R166 PolarHBondContact OD1-NH2 3.38Å
113	V	58.1	Low	60.3	Low	22 Å²	22	39.1 Å²	39.1	13%	0.133	21%	0.212	C	C	.	.	H	α-helix	trans	-66.6	-37.6	175.2	-177.3	0	0	0	0	109.9	L105 Q110 S111 A116 V117	L105-V113 HydrophobicContact CD1-CB 4.06Å; L105-V113 HydrophobicContact CD1-CG1 3.76Å; L105-V113 HydrophobicContact CD2-CB 4.07Å; L105-V113 HydrophobicContact CD2-CG1 3.84Å; L105-V113 HydrophobicContact CG-CG1 4.5Å; Q110-V113 HydrophobicContact CB-CB 4.2Å; Q110-V113 HydrophobicContact CB-CG2 4.06Å; Q110-V113 PolarHBondContact O-N 2.77Å; S111-V113 PolarHBondContact O-N 2.66Å; V113-A116 PolarHBondContact O-N 3.14Å; V113-V117 HydrophobicContact CG1-CG2 4.43Å; V113-V117 WeakPolarHBondContact O-CG2 3.1Å; V113-V117 PolarHBondContact O-N 3.48Å
114	L	60.5	Low	60.1	Low	10 Å²	10	38.7 Å²	38.7	5%	0.052	22%	0.218	C	C	.	.	H	α-helix	trans	-62.6	-45.3	176.2	179.9	60.6	0	0	0	111.2	I67 M102 L105 Q110 S111 D112 A116 V117 L118	I67-L114 HydrophobicContact CG2-CD2 3.92Å; M102-L114 HydrophobicContact CB-CD1 3.7Å; M102-L114 HydrophobicContact CB-CD2 4.44Å; M102-L114 HydrophobicContact CE-CD1 3.56Å; M102-L114 HydrophobicContact CE-CD2 3.94Å; M102-L114 HydrophobicContact CE-CG 3.98Å; M102-L114 HydrophobicContact CG-CD1 3.57Å; M102-L114 HydrophobicContact SD-CD1 4.4Å; L105-L114 HydrophobicContact CB-CB 4.14Å; L105-L114 HydrophobicContact CD1-CB 3.94Å; L105-L114 HydrophobicContact CD1-CD1 4.19Å; Q110-L114 PolarHBondContact O-N 3.02Å; S111-L114 VanDerWaalsContact O-CB 3.29Å; S111-L114 WeakPolarHBondContact O-CB 3.49Å; S111-L114 PolarHBondContact O-N 3.22Å; D112-L114 VanDerWaalsContact C-N 3.28Å; D112-L114 PolarHBondContact O-N 2.99Å; L114-A116 VanDerWaalsContact C-N 3.28Å; L114-A116 PolarHBondContact O-N 2.97Å; L114-V117 PolarHBondContact O-N 3.3Å; L114-L118 HydrophobicContact CD1-CD1 4.4Å; L114-L118 HydrophobicContact CD1-CG 4.3Å; L114-L118 HydrophobicContact CG-CD1 4.23Å; L114-L118 VanDerWaalsContact O-CB 3.27Å; L114-L118 WeakPolarHBondContact O-CB 3.13Å; L114-L118 VanDerWaalsContact O-CG 3.23Å; L114-L118 WeakPolarHBondContact O-CG 3.06Å; L114-L118 PolarHBondContact O-N 3.46Å
115	E	59	Low	60.1	Low	9 Å²	9	40.7 Å²	40.7	4%	0.042	23%	0.227	C	C	.	.	H	α-helix	trans	-57.6	-42.8	174.5	-58.2	-164.5	151.8	0	0	111.5	T72 H73 L76 S111 D112 F119 R166	T72-E115 HydrophobicContact CG2-CG 4.07Å; T72-E115 WeakPolarHBondContact CG2-OE1 3.31Å; H73-E115 IonicContact CD2-OE1 2.87Å; H73-E115 PolarHBondContact CD2-OE1 3.25Å; H73-E115 IonicContact CD2-OE2 3.17Å; L76-E115 HydrophobicContact CD1-CB 3.57Å; L76-E115 HydrophobicContact CD1-CG 3.19Å; L76-E115 WeakPolarHBondContact CD1-OE1 3.19Å; S111-E115 VanDerWaalsContact O-CG 3.31Å; S111-E115 WeakPolarHBondContact O-CG 3.42Å; S111-E115 PolarHBondContact O-N 2.77Å; D112-E115 PolarHBondContact O-N 3.15Å; E115-F119 VanDerWaalsContact O-CB 3.3Å; E115-F119 WeakPolarHBondContact O-CB 3.22Å; E115-F119 PolarHBondContact O-N 2.99Å; E115-R166 IonicContact OE2-CZ 3.31Å; E115-R166 IonicContact OE2-NH2 2.76Å; E115-R166 PolarHBondContact OE2-NH2 2.93Å
116	A	58.2	Low	59.9	Low	13 Å²	13	46.2 Å²	46.2	11%	0.107	25%	0.247	C	C	.	.	H	α-helix	trans	-66.8	-46.6	-179.2	0	0	0	0	0	112.4	D112 V113 L114 L118 F119 M120 L165	D112-A116 PolarHBondContact O-N 2.78Å; D112-A116 VanDerWaalsContact O-N 3.1Å; V113-A116 PolarHBondContact O-N 3.14Å; L114-A116 VanDerWaalsContact C-N 3.28Å; L114-A116 PolarHBondContact O-N 2.97Å; A116-L118 PolarHBondContact O-N 2.9Å; A116-F119 PolarHBondContact O-N 2.92Å; A116-M120 VanDerWaalsContact O-CG 3.27Å; A116-M120 WeakPolarHBondContact O-CG 3.46Å; A116-M120 PolarHBondContact O-N 2.97Å; A116-L165 HydrophobicContact CB-CD1 4.29Å
117	V	65	Low	59.8	Low	21 Å²	21	51 Å²	51	13%	0.127	26%	0.262	C	S	.	.	H	α-helix	trans	-60.2	-48.2	177.2	171.4	0	0	0	0	110.5	V113 L114 F119 M120 V121 L150	V113-V117 HydrophobicContact CG1-CG2 4.43Å; V113-V117 WeakPolarHBondContact O-CG2 3.1Å; V113-V117 PolarHBondContact O-N 3.48Å; L114-V117 PolarHBondContact O-N 3.3Å; V117-F119 VanDerWaalsContact C-N 3.34Å; V117-F119 PolarHBondContact O-N 2.69Å; V117-M120 HydrophobicContact CG2-CE 4.45Å; V117-M120 PolarHBondContact O-N 3.46Å; V117-V121 WeakPolarHBondContact O-CG2 3.39Å; V117-V121 PolarHBondContact O-N 2.75Å; V117-L150 HydrophobicContact CG2-CD1 4.43Å
118	L	64.5	Low	58.9	Low	6 Å²	6	49.7 Å²	49.7	3%	0.031	25%	0.254	C	S	.	.	H	α-helix	trans	-56.6	-48.7	176.6	-79	-179.3	0	0	0	111.6	Y64 F80 I98 M102 L114 A116 M120 V121 A122	Y64-L118 HydrophobicContact CE1-CD2 4.04Å; F80-L118 HydrophobicContact CD1-CD2 4.38Å; F80-L118 HydrophobicContact CD2-CD1 4.35Å; F80-L118 HydrophobicContact CE1-CB 3.94Å; F80-L118 HydrophobicContact CE1-CD2 3.96Å; F80-L118 HydrophobicContact CE1-CG 4.41Å; F80-L118 HydrophobicContact CE2-CB 3.68Å; F80-L118 HydrophobicContact CE2-CD1 4.22Å; F80-L118 HydrophobicContact CE2-CG 4.48Å; F80-L118 VanDerWaalsContact CZ-C 3.4Å; F80-L118 HydrophobicContact CZ-CB 3.4Å; F80-L118 HydrophobicContact CZ-CD1 4.46Å; F80-L118 HydrophobicContact CZ-CD2 4.3Å; F80-L118 HydrophobicContact CZ-CG 4.27Å; F80-L118 VanDerWaalsContact CZ-O 3.28Å; F80-L118 WeakPolarHBondContact CZ-O 3.14Å; I98-L118 HydrophobicContact CG2-CD2 4.4Å; M102-L118 HydrophobicContact CE-CD1 3.65Å; M102-L118 HydrophobicContact CE-CD2 3.88Å; M102-L118 HydrophobicContact CE-CG 4.07Å; L114-L118 HydrophobicContact CD1-CD1 4.4Å; L114-L118 HydrophobicContact CD1-CG 4.3Å; L114-L118 HydrophobicContact CG-CD1 4.23Å; L114-L118 VanDerWaalsContact O-CB 3.27Å; L114-L118 WeakPolarHBondContact O-CB 3.13Å; L114-L118 VanDerWaalsContact O-CG 3.23Å; L114-L118 WeakPolarHBondContact O-CG 3.06Å; L114-L118 PolarHBondContact O-N 3.46Å; A116-L118 PolarHBondContact O-N 2.9Å; L118-M120 VanDerWaalsContact C-N 3.28Å; L118-M120 PolarHBondContact O-N 2.98Å; L118-V121 PolarHBondContact O-N 3.36Å; L118-A122 PolarHBondContact O-N 3.18Å
119	F	61.2	Low	58.3	Low	24 Å²	24	48.9 Å²	48.9	11%	0.105	25%	0.248	C	C	.	.	H	α-helix	trans	-59.2	-39.5	178.8	-178.3	-92.8	0	0	0	112.3	W75 L79 E115 A116 V117 A122 C123 I169	W75-F119 HydrophobicContact CH2-CD2 4.49Å; W75-F119 HydrophobicContact CZ3-CD2 4.4Å; L79-F119 HydrophobicContact CD2-CD2 4.11Å; E115-F119 VanDerWaalsContact O-CB 3.3Å; E115-F119 WeakPolarHBondContact O-CB 3.22Å; E115-F119 PolarHBondContact O-N 2.99Å; A116-F119 PolarHBondContact O-N 2.92Å; V117-F119 VanDerWaalsContact C-N 3.34Å; V117-F119 PolarHBondContact O-N 2.69Å; F119-A122 PolarHBondContact O-N 3.08Å; F119-C123 WeakPolarHBondContact CE1-SG 3.19Å; F119-C123 WeakPolarHBondContact CZ-SG 3.29Å; F119-C123 WeakPolarHBondContact O-CB 3.42Å; F119-C123 PolarHBondContact O-N 3.39Å; F119-C123 PolarHBondContact O-SG 3.36Å; F119-I169 HydrophobicContact CD1-CD1 3.33Å; F119-I169 HydrophobicContact CD1-CG1 3.73Å; F119-I169 HydrophobicContact CD1-CG2 4.25Å; F119-I169 HydrophobicContact CD2-CG2 4.41Å; F119-I169 HydrophobicContact CE1-CB 4.13Å; F119-I169 HydrophobicContact CE1-CD1 3.63Å; F119-I169 HydrophobicContact CE1-CG1 3.44Å; F119-I169 VanDerWaalsContact CE1-CG1 3.44Å; F119-I169 HydrophobicContact CE1-CG2 3.67Å; F119-I169 HydrophobicContact CE2-CG2 3.85Å; F119-I169 HydrophobicContact CG-CD1 3.97Å; F119-I169 HydrophobicContact CZ-CB 4.35Å; F119-I169 HydrophobicContact CZ-CD1 4.46Å; F119-I169 HydrophobicContact CZ-CG1 4.15Å; F119-I169 HydrophobicContact CZ-CG2 3.44Å; F119-I169 VanDerWaalsContact CZ-CG2 3.44Å
120	M	59.4	Low	57.1	Low	16 Å²	16	44.3 Å²	44.3	8%	0.079	23%	0.233	C	C	.	.	H	α-helix	trans	-68.7	-41	178.3	-67.7	-177.2	-47.2	0	0	112.3	A116 V117 L118 A122 C123 A124 L146 L150 L165	A116-M120 VanDerWaalsContact O-CG 3.27Å; A116-M120 WeakPolarHBondContact O-CG 3.46Å; A116-M120 PolarHBondContact O-N 2.97Å; V117-M120 HydrophobicContact CG2-CE 4.45Å; V117-M120 PolarHBondContact O-N 3.46Å; L118-M120 VanDerWaalsContact C-N 3.28Å; L118-M120 PolarHBondContact O-N 2.98Å; M120-A122 VanDerWaalsContact C-N 3.33Å; M120-A122 PolarHBondContact O-N 3.46Å; M120-C123 PolarHBondContact O-N 3.36Å; M120-A124 WeakPolarHBondContact O-CB 3.09Å; M120-A124 PolarHBondContact O-N 2.9Å; M120-L146 HydrophobicContact CE-CD2 3.89Å; M120-L146 HydrophobicContact SD-CD2 3.1Å; M120-L146 WeakPolarHBondContact SD-CD2 3.36Å; M120-L146 HydrophobicContact SD-CG 4.24Å; M120-L150 HydrophobicContact CE-CD1 3.93Å; M120-L165 HydrophobicContact SD-CD1 3.98Å; M120-L165 HydrophobicContact SD-CD2 4.31Å
121	V	62.5	Low	56	Low	34 Å²	34	51 Å²	51	21%	0.206	26%	0.256	C	S	.	.	H	α-helix	trans	-58.2	-47.6	172.3	173.3	0	0	0	0	110	I98 V117 L118 C123 A124 E125	I98-V121 HydrophobicContact CD1-CG1 4.04Å; I98-V121 HydrophobicContact CD1-CG2 4.11Å; V117-V121 WeakPolarHBondContact O-CG2 3.39Å; V117-V121 PolarHBondContact O-N 2.75Å; L118-V121 PolarHBondContact O-N 3.36Å; V121-C123 VanDerWaalsContact C-N 3.31Å; V121-C123 PolarHBondContact O-N 3.15Å; V121-A124 PolarHBondContact O-N 3.4Å; V121-E125 WeakPolarHBondContact O-CB 3.16Å; V121-E125 PolarHBondContact O-N 3.45Å
122	A	58.1	Low	55.2	Low	6 Å²	6	56.5 Å²	56.5	5%	0.05	28%	0.276	C	S	.	.	H	α-helix	trans	-63.1	-35.4	177.8	0	0	0	0	0	112.9	F80 L118 F119 M120 R126	F80-A122 HydrophobicContact CE1-CB 4.32Å; F80-A122 HydrophobicContact CZ-CB 4.04Å; L118-A122 PolarHBondContact O-N 3.18Å; F119-A122 PolarHBondContact O-N 3.08Å; M120-A122 VanDerWaalsContact C-N 3.33Å; M120-A122 PolarHBondContact O-N 3.46Å; A122-R126 WeakPolarHBondContact O-CB 3.38Å; A122-R126 WeakPolarHBondContact O-CG 3.46Å; A122-R126 PolarHBondContact O-N 3.49Å
123	C	54.8	Low	54.8	Low	12 Å²	12	57.8 Å²	57.8	8%	0.081	30%	0.302	C	S	.	.	H	α-helix	trans	-70.4	-40.6	175.9	-72.1	0	0	0	0	112.8	F119 M120 V121 K127 I128 I129	F119-C123 WeakPolarHBondContact CE1-SG 3.19Å; F119-C123 WeakPolarHBondContact CZ-SG 3.29Å; F119-C123 WeakPolarHBondContact O-CB 3.42Å; F119-C123 PolarHBondContact O-N 3.39Å; F119-C123 PolarHBondContact O-SG 3.36Å; M120-C123 PolarHBondContact O-N 3.36Å; V121-C123 VanDerWaalsContact C-N 3.31Å; V121-C123 PolarHBondContact O-N 3.15Å; C123-K127 PolarHBondContact O-N 2.95Å; C123-I128 HydrophobicContact CB-CB 4.45Å; C123-I128 PolarHBondContact O-N 3.45Å; C123-I129 HydrophobicContact CB-CD1 3.88Å; C123-I129 HydrophobicContact CB-CG1 3.81Å
124	A	56	Low	54.3	Low	48 Å²	48	62.5 Å²	62.5	40%	0.397	33%	0.327	S	S	.	.	H	α-helix	trans	-64.5	-47.3	176	0	0	0	0	0	110.6	M120 V121 R126 K127 I129	M120-A124 WeakPolarHBondContact O-CB 3.09Å; M120-A124 PolarHBondContact O-N 2.9Å; V121-A124 PolarHBondContact O-N 3.4Å; A124-R126 PolarHBondContact O-N 3.23Å; A124-K127 PolarHBondContact O-N 3.46Å; A124-I129 HydrophobicContact CB-CD1 4.44Å
125	E	54.5	Low	53.8	Low	63 Å²	63	68 Å²	68	29%	0.294	36%	0.357	S	S	.	.	H	α-helix	trans	-58.8	-46.1	178.2	-171.3	-163.8	-177.8	0	0	111.9	A86 I87 V121 K127	A86-E125 WeakPolarHBondContact CA-OE1 3.37Å; A86-E125 WeakPolarHBondContact CB-OE1 3.17Å; I87-E125 PolarHBondContact N-OE1 2.88Å; V121-E125 WeakPolarHBondContact O-CB 3.16Å; V121-E125 PolarHBondContact O-N 3.45Å; E125-K127 PolarHBondContact O-N 2.76Å; E125-K127 VanDerWaalsContact O-N 3.11Å
126	R	54.8	Low	53.2	Low	134 Å²	134	70.9 Å²	70.9	51%	0.506	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	4.4	178.4	-70.9	-172.7	169.3	-151.1	-4.8	113.6	N83 A122 A124 I128	N83-R126 VanDerWaalsContact CG-NH2 3.35Å; N83-R126 PolarHBondContact ND2-NH2 2.83Å; N83-R126 PolarHBondContact OD1-NH2 2.81Å; A122-R126 WeakPolarHBondContact O-CB 3.38Å; A122-R126 WeakPolarHBondContact O-CG 3.46Å; A122-R126 PolarHBondContact O-N 3.49Å; A124-R126 PolarHBondContact O-N 3.23Å; R126-I128 HydrophobicContact CB-CD1 3.69Å; R126-I128 HydrophobicContact CB-CG1 3.63Å; R126-I128 HydrophobicContact CG-CD1 4.45Å; R126-I128 PolarHBondContact O-N 2.77Å
127	K	56.8	Low	52.9	Low	145 Å²	145	73.6 Å²	73.6	63%	0.63	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	27.6	-174.7	-62.6	-174.8	-178	-172.9	0	111.8	C123 A124 E125 I129 S130	C123-K127 PolarHBondContact O-N 2.95Å; A124-K127 PolarHBondContact O-N 3.46Å; E125-K127 PolarHBondContact O-N 2.76Å; E125-K127 VanDerWaalsContact O-N 3.11Å; K127-I129 PolarHBondContact O-N 3.41Å; K127-S130 CarbonylContact O-C 3.57Å; K127-S130 WeakPolarHBondContact O-CA 3.29Å; K127-S130 WeakPolarHBondContact O-CB 3.14Å; K127-S130 PolarHBondContact O-N 2.79Å; K127-S130 VanDerWaalsContact O-O 3.09Å
128	I	46.9	Very low	52.3	Low	92 Å²	92	79 Å²	79	47%	0.472	41%	0.408	S	S	.	.	S	Bend	trans	-66.8	-32.5	-179.9	-68.3	170.3	0	0	0	109.7	C123 R126 S130	C123-I128 HydrophobicContact CB-CB 4.45Å; C123-I128 PolarHBondContact O-N 3.45Å; R126-I128 HydrophobicContact CB-CD1 3.69Å; R126-I128 HydrophobicContact CB-CG1 3.63Å; R126-I128 HydrophobicContact CG-CD1 4.45Å; R126-I128 PolarHBondContact O-N 2.77Å; I128-S130 VanDerWaalsContact C-N 3.33Å
129	I	45.9	Very low	51.7	Low	76 Å²	76	81.5 Å²	81.5	39%	0.39	42%	0.421	S	S	.	.	S	Bend	trans	-75.9	-28.7	175	-39.7	178.9	0	0	0	110.5	C123 A124 K127 R131 D139 V143	C123-I129 HydrophobicContact CB-CD1 3.88Å; C123-I129 HydrophobicContact CB-CG1 3.81Å; A124-I129 HydrophobicContact CB-CD1 4.44Å; K127-I129 PolarHBondContact O-N 3.41Å; I129-R131 PolarHBondContact O-N 3.32Å; I129-D139 VanDerWaalsContact C-OD2 3.22Å; I129-V143 HydrophobicContact CD1-CG2 4.48Å
130	S	42.2	Very low	51.3	Low	51 Å²	51	83.3 Å²	83.3	36%	0.357	43%	0.43	S	S	.	.			trans	-80.5	83.4	179.6	159	0	0	0	0	110.6	K127 I128 D139	K127-S130 CarbonylContact O-C 3.57Å; K127-S130 WeakPolarHBondContact O-CA 3.29Å; K127-S130 WeakPolarHBondContact O-CB 3.14Å; K127-S130 PolarHBondContact O-N 2.79Å; K127-S130 VanDerWaalsContact O-O 3.09Å; I128-S130 VanDerWaalsContact C-N 3.33Å; S130-D139 WeakPolarHBondContact CA-OD2 3.11Å; S130-D139 WeakPolarHBondContact CB-OD2 3.41Å; S130-D139 PolarHBondContact N-OD2 3.43Å; S130-D139 VanDerWaalsContact N-OD2 3.13Å
131	R	42.5	Very low	51.1	Low	191 Å²	191	85.6 Å²	85.6	72%	0.721	44%	0.44	S	S	*	.			trans	-108	65.8	169.6	-103.1	-166.1	-178.1	-177.3	3.9	111.3	I129 S189	I129-R131 PolarHBondContact O-N 3.32Å; R131-S189 PolarHBondContact NH1-OG 2.76Å
132	H	42.9	Very low	50.7	Low	159 Å²	159	85.7 Å²	85.7	74%	0.736	45%	0.445	S	S	*	.	S	Bend	trans	177.2	140.9	144.5	-106.8	50.5	0	0	0	108	D134	H132-D134 PolarHBondContact O-N 3Å
133	G	47.8	Very low	50.5	Low	81 Å²	81	86.8 Å²	86.8	84%	0.835	45%	0.451	S	S	*	.	S	Bend	trans	-67.2	25.5	-175.9	0	0	0	0	0	116
134	D	47.6	Very low	50.6	Low	122 Å²	122	88.8 Å²	88.8	65%	0.652	46%	0.458	S	S	*	.	S	Bend	trans	-96.3	121.5	160.6	-75	-32.6	0	0	0	106.4	H132 D136	H132-D134 PolarHBondContact O-N 3Å; D134-D136 PolarHBondContact O-N 3.23Å
135	N	48.5	Very low	50.6	Low	126 Å²	126	92.5 Å²	92.5	67%	0.674	46%	0.462	S	S	*	.			trans	-62.7	40.6	175	-73	-12	0	0	0	112.3	D8 C137	D8-N135 PolarHBondContact OD2-ND2 2.87Å; N135-C137 PolarHBondContact O-N 3.45Å
136	D	47.3	Very low	50.8	Low	69 Å²	69	91.3 Å²	91.3	37%	0.369	46%	0.457	S	S	.	.			trans	-67.6	103.1	-179.1	-107	-17.8	0	0	0	107.7	D134 R138 D139	D134-D136 PolarHBondContact O-N 3.23Å; D136-R138 HydrophobicContact CB-CB 4.46Å; D136-R138 HydrophobicContact CB-CG 4.1Å; D136-R138 PolarHBondContact O-N 3.32Å; D136-R138 IonicContact OD1-NE 2.67Å; D136-R138 IonicContact OD2-CZ 3.53Å; D136-R138 IonicContact OD2-NE 3.11Å; D136-R138 PolarHBondContact OD2-NE 2.81Å; D136-R138 IonicContact OD2-NH2 2.8Å; D136-R138 PolarHBondContact OD2-NH2 3.38Å; D136-D139 PolarHBondContact O-N 2.83Å
137	C	50.9	Low	50.9	Low	70 Å²	70	86.6 Å²	86.6	47%	0.473	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-36.2	0.7	159	40.8	0	0	0	0	116.6	N135 E141	N135-C137 PolarHBondContact O-N 3.45Å; C137-E141 WeakPolarHBondContact O-CB 3.36Å; C137-E141 PolarHBondContact O-N 3.39Å
138	R	54.2	Low	51	Low	134 Å²	134	83.9 Å²	83.9	51%	0.506	43%	0.431	S	S	.	.	H	α-helix	trans	-67	-35.7	174.7	-61.6	-170.6	-138.2	-151.3	3.6	113.4	D136 A142	D136-R138 HydrophobicContact CB-CB 4.46Å; D136-R138 HydrophobicContact CB-CG 4.1Å; D136-R138 PolarHBondContact O-N 3.32Å; D136-R138 IonicContact OD1-NE 2.67Å; D136-R138 IonicContact OD2-CZ 3.53Å; D136-R138 IonicContact OD2-NE 3.11Å; D136-R138 PolarHBondContact OD2-NE 2.81Å; D136-R138 IonicContact OD2-NH2 2.8Å; D136-R138 PolarHBondContact OD2-NH2 3.38Å; R138-A142 WeakPolarHBondContact O-CB 3.28Å; R138-A142 PolarHBondContact O-N 3.46Å
139	D	51.8	Low	51.5	Low	58 Å²	58	82.9 Å²	82.9	31%	0.31	43%	0.429	S	S	.	.	H	α-helix	trans	-68.5	-41.4	179.1	-76.6	-10.2	0	0	0	110.8	I129 S130 D136 A142 V143	I129-D139 VanDerWaalsContact C-OD2 3.22Å; S130-D139 WeakPolarHBondContact CA-OD2 3.11Å; S130-D139 WeakPolarHBondContact CB-OD2 3.41Å; S130-D139 PolarHBondContact N-OD2 3.43Å; S130-D139 VanDerWaalsContact N-OD2 3.13Å; D136-D139 PolarHBondContact O-N 2.83Å; D139-A142 WeakPolarHBondContact O-CB 3.25Å; D139-A142 PolarHBondContact O-N 2.77Å; D139-V143 WeakPolarHBondContact O-CG2 3.39Å; D139-V143 PolarHBondContact O-N 2.96Å
140	E	50.9	Low	51.9	Low	62 Å²	62	80.4 Å²	80.4	29%	0.29	42%	0.417	S	S	.	.	H	α-helix	trans	-63.4	-50.2	174.9	-168.8	-166.1	146.5	0	0	111.1	A15 A142 V143 K144	A15-E140 WeakPolarHBondContact CA-OE1 3.46Å; A15-E140 VanDerWaalsContact CB-CD 3.43Å; A15-E140 HydrophobicContact CB-CG 3.77Å; A15-E140 WeakPolarHBondContact CB-OE1 3.42Å; A15-E140 PolarHBondContact N-OE1 3Å; A15-E140 VanDerWaalsContact N-OE1 3.08Å; E140-A142 PolarHBondContact O-N 3.2Å; E140-V143 PolarHBondContact O-N 3.25Å; E140-K144 VanDerWaalsContact O-CB 3.23Å; E140-K144 WeakPolarHBondContact O-CB 3.11Å; E140-K144 PolarHBondContact O-N 3.35Å
141	E	57.1	Low	52.5	Low	64 Å²	64	81.2 Å²	81.2	30%	0.299	42%	0.417	S	S	.	.	H	α-helix	trans	-63.2	-29.3	176.1	-178.5	63.5	-157.8	0	0	111.6	C137 K144 R145	C137-E141 WeakPolarHBondContact O-CB 3.36Å; C137-E141 PolarHBondContact O-N 3.39Å; E141-K144 WeakPolarHBondContact O-CB 3.35Å; E141-K144 WeakPolarHBondContact OE2-CD 3.48Å; E141-K144 IonicContact OE2-NZ 3.82Å; E141-K144 PolarHBondContact OE2-NZ 3.21Å; E141-R145 WeakPolarHBondContact O-CB 3.45Å; E141-R145 WeakPolarHBondContact O-CG 3.47Å; E141-R145 PolarHBondContact O-N 2.94Å; E141-R145 IonicContact OE1-CZ 3.72Å; E141-R145 IonicContact OE1-NE 3.03Å; E141-R145 PolarHBondContact OE1-NE 3.13Å; E141-R145 IonicContact OE1-NH2 3.51Å
142	A	53.6	Low	53.5	Low	36 Å²	36	76.4 Å²	76.4	30%	0.298	41%	0.412	S	S	.	.	H	α-helix	trans	-69.7	-48.5	173	0	0	0	0	0	111.5	R138 D139 E140 K144 R145 L146	R138-A142 WeakPolarHBondContact O-CB 3.28Å; R138-A142 PolarHBondContact O-N 3.46Å; D139-A142 WeakPolarHBondContact O-CB 3.25Å; D139-A142 PolarHBondContact O-N 2.77Å; E140-A142 PolarHBondContact O-N 3.2Å; A142-K144 PolarHBondContact O-N 2.91Å; A142-R145 PolarHBondContact O-N 3.39Å; A142-L146 WeakPolarHBondContact O-CB 3.4Å; A142-L146 PolarHBondContact O-N 3.05Å
143	V	54.5	Low	54.1	Low	30 Å²	30	69.8 Å²	69.8	18%	0.182	39%	0.386	C	S	.	.	H	α-helix	trans	-58.7	-42	174.5	172	0	0	0	0	110.1	I129 D139 E140 L146 I147	I129-V143 HydrophobicContact CD1-CG2 4.48Å; D139-V143 WeakPolarHBondContact O-CG2 3.39Å; D139-V143 PolarHBondContact O-N 2.96Å; E140-V143 PolarHBondContact O-N 3.25Å; V143-L146 VanDerWaalsContact O-CB 3.27Å; V143-L146 WeakPolarHBondContact O-CB 3.33Å; V143-L146 PolarHBondContact O-N 3.37Å; V143-I147 HydrophobicContact CG1-CD1 3.84Å; V143-I147 HydrophobicContact CG1-CG1 4.39Å; V143-I147 VanDerWaalsContact O-CG1 3.3Å; V143-I147 WeakPolarHBondContact O-CG1 3.5Å; V143-I147 PolarHBondContact O-N 3.32Å
144	K	55.8	Low	54.6	Low	54 Å²	54	70.2 Å²	70.2	24%	0.235	37%	0.369	C	S	.	.	H	α-helix	trans	-58.2	-52.8	176	-173.6	-170.2	177.9	-176.1	0	112.5	F18 E140 E141 A142 L146 I147 E148	F18-K144 HydrophobicContact CD1-CD 3.89Å; F18-K144 HydrophobicContact CD1-CG 3.41Å; F18-K144 VanDerWaalsContact CD1-CG 3.41Å; F18-K144 HydrophobicContact CE1-CD 3.77Å; F18-K144 HydrophobicContact CE1-CG 3.18Å; F18-K144 HydrophobicContact CE2-CD 4.43Å; F18-K144 HydrophobicContact CG-CD 4.24Å; F18-K144 HydrophobicContact CG-CG 4.24Å; F18-K144 HydrophobicContact CZ-CD 4.08Å; F18-K144 HydrophobicContact CZ-CG 3.91Å; E140-K144 VanDerWaalsContact O-CB 3.23Å; E140-K144 WeakPolarHBondContact O-CB 3.11Å; E140-K144 PolarHBondContact O-N 3.35Å; E141-K144 WeakPolarHBondContact O-CB 3.35Å; E141-K144 WeakPolarHBondContact OE2-CD 3.48Å; E141-K144 IonicContact OE2-NZ 3.82Å; E141-K144 PolarHBondContact OE2-NZ 3.21Å; A142-K144 PolarHBondContact O-N 2.91Å; K144-L146 PolarHBondContact O-N 2.93Å; K144-I147 PolarHBondContact O-N 2.89Å; K144-E148 WeakPolarHBondContact O-CG 3.36Å; K144-E148 PolarHBondContact O-N 3.19Å
145	R	56.8	Low	54.9	Low	125 Å²	125	69.6 Å²	69.6	47%	0.472	37%	0.365	S	S	.	.	H	α-helix	trans	-60.4	-36.3	176	-74.6	172.7	-174.2	-164.4	1.4	111.5	E141 A142 E148 V149	E141-R145 WeakPolarHBondContact O-CB 3.45Å; E141-R145 WeakPolarHBondContact O-CG 3.47Å; E141-R145 PolarHBondContact O-N 2.94Å; E141-R145 IonicContact OE1-CZ 3.72Å; E141-R145 IonicContact OE1-NE 3.03Å; E141-R145 PolarHBondContact OE1-NE 3.13Å; E141-R145 IonicContact OE1-NH2 3.51Å; A142-R145 PolarHBondContact O-N 3.39Å; R145-E148 PolarHBondContact O-N 3.26Å; R145-V149 WeakPolarHBondContact O-CB 3.48Å; R145-V149 WeakPolarHBondContact O-CG2 3.05Å; R145-V149 PolarHBondContact O-N 3.36Å
146	L	57.6	Low	55.5	Low	38 Å²	38	71.1 Å²	71.1	20%	0.199	37%	0.365	C	S	.	.	H	α-helix	trans	-65.3	-45.4	177.7	-148.5	65.7	0	0	0	112	M120 A142 V143 K144 V149 L150 F161	M120-L146 HydrophobicContact CE-CD2 3.89Å; M120-L146 HydrophobicContact SD-CD2 3.1Å; M120-L146 WeakPolarHBondContact SD-CD2 3.36Å; M120-L146 HydrophobicContact SD-CG 4.24Å; A142-L146 WeakPolarHBondContact O-CB 3.4Å; A142-L146 PolarHBondContact O-N 3.05Å; V143-L146 VanDerWaalsContact O-CB 3.27Å; V143-L146 WeakPolarHBondContact O-CB 3.33Å; V143-L146 PolarHBondContact O-N 3.37Å; K144-L146 PolarHBondContact O-N 2.93Å; L146-V149 PolarHBondContact O-N 3.07Å; L146-L150 WeakPolarHBondContact O-CB 3.37Å; L146-L150 WeakPolarHBondContact O-CG 3.38Å; L146-L150 PolarHBondContact O-N 3Å; L146-F161 HydrophobicContact CD1-CE1 4.38Å; L146-F161 HydrophobicContact CD1-CE2 3.85Å; L146-F161 HydrophobicContact CD1-CZ 3.32Å; L146-F161 HydrophobicContact CD2-CZ 4.25Å; L146-F161 HydrophobicContact CG-CE1 4.3Å; L146-F161 HydrophobicContact CG-CZ 3.67Å
147	I	56.7	Low	56	Low	35 Å²	35	75.7 Å²	75.7	18%	0.179	38%	0.377	C	S	.	.	H	α-helix	trans	-61	-50.1	174	-68.8	168.9	0	0	0	108.7	I19 V22 V143 K144 V149 L150 L151	I19-I147 HydrophobicContact CG1-CD1 4.39Å; V22-I147 HydrophobicContact CG1-CG2 3.76Å; V143-I147 HydrophobicContact CG1-CD1 3.84Å; V143-I147 HydrophobicContact CG1-CG1 4.39Å; V143-I147 VanDerWaalsContact O-CG1 3.3Å; V143-I147 WeakPolarHBondContact O-CG1 3.5Å; V143-I147 PolarHBondContact O-N 3.32Å; K144-I147 PolarHBondContact O-N 2.89Å; I147-V149 VanDerWaalsContact C-N 3.3Å; I147-V149 PolarHBondContact O-N 2.72Å; I147-L150 WeakPolarHBondContact O-CB 3.49Å; I147-L150 PolarHBondContact O-N 3.36Å; I147-L150 VanDerWaalsContact O-N 3.12Å; I147-L151 HydrophobicContact CG2-CD1 3.64Å; I147-L151 HydrophobicContact CG2-CG 4.25Å; I147-L151 WeakPolarHBondContact O-CB 3.41Å; I147-L151 WeakPolarHBondContact O-CG 3.37Å; I147-L151 PolarHBondContact O-N 3.19Å
148	E	60.1	Low	56	Low	88 Å²	88	72.9 Å²	72.9	41%	0.411	36%	0.359	S	S	.	.	H	α-helix	trans	-57	-40.9	177	-73.8	-178.8	168.8	0	0	113.2	F18 K144 R145 L151 S152	F18-E148 HydrophobicContact CE1-CG 4.42Å; F18-E148 WeakPolarHBondContact CZ-OE1 3.12Å; K144-E148 WeakPolarHBondContact O-CG 3.36Å; K144-E148 PolarHBondContact O-N 3.19Å; R145-E148 PolarHBondContact O-N 3.26Å; E148-L151 PolarHBondContact O-N 3.27Å; E148-S152 WeakPolarHBondContact O-CB 3.34Å; E148-S152 PolarHBondContact O-N 2.86Å; E148-S152 PolarHBondContact O-OG 3.33Å
149	V	56.9	Low	55.9	Low	71 Å²	71	70.1 Å²	70.1	43%	0.43	35%	0.353	S	S	.	.	H	α-helix	trans	-64.7	-46.4	175.2	168.3	0	0	0	0	110.6	R145 L146 I147 L151 S152 A153	R145-V149 WeakPolarHBondContact O-CB 3.48Å; R145-V149 WeakPolarHBondContact O-CG2 3.05Å; R145-V149 PolarHBondContact O-N 3.36Å; L146-V149 PolarHBondContact O-N 3.07Å; I147-V149 VanDerWaalsContact C-N 3.3Å; I147-V149 PolarHBondContact O-N 2.72Å; V149-L151 PolarHBondContact O-N 2.79Å; V149-S152 WeakPolarHBondContact CA-OG 3.38Å; V149-S152 PolarHBondContact O-N 2.86Å; V149-S152 PolarHBondContact O-OG 3.32Å; V149-A153 WeakPolarHBondContact O-CB 3.28Å; V149-A153 PolarHBondContact O-N 3.46Å
150	L	55.1	Low	56.3	Low	24 Å²	24	71.5 Å²	71.5	13%	0.126	36%	0.364	C	S	.	.	H	α-helix	trans	-59.3	-31.6	176.2	-79.6	171	0	0	0	112.3	V117 M120 L146 I147 F161	V117-L150 HydrophobicContact CG2-CD1 4.43Å; M120-L150 HydrophobicContact CE-CD1 3.93Å; L146-L150 WeakPolarHBondContact O-CB 3.37Å; L146-L150 WeakPolarHBondContact O-CG 3.38Å; L146-L150 PolarHBondContact O-N 3Å; I147-L150 WeakPolarHBondContact O-CB 3.49Å; I147-L150 PolarHBondContact O-N 3.36Å; I147-L150 VanDerWaalsContact O-N 3.12Å; L150-F161 HydrophobicContact CD1-CE1 4.12Å; L150-F161 HydrophobicContact CD2-CD1 3.37Å; L150-F161 HydrophobicContact CD2-CE1 3.59Å; L150-F161 HydrophobicContact CD2-CG 4.29Å; L150-F161 HydrophobicContact CG-CD1 4.12Å; L150-F161 HydrophobicContact CG-CE1 3.84Å
151	L	54.8	Low	56.4	Low	68 Å²	68	69.6 Å²	69.6	36%	0.356	35%	0.354	S	S	.	.	H	α-helix	trans	-86.9	-23.6	-178.5	-63.6	173.2	0	0	0	115	V22 M26 I147 E148 V149	V22-L151 HydrophobicContact CB-CD1 4.49Å; V22-L151 HydrophobicContact CG1-CD1 3.04Å; V22-L151 HydrophobicContact CG1-CG 4.49Å; M26-L151 HydrophobicContact CE-CD1 3.61Å; M26-L151 HydrophobicContact CE-CD2 3.29Å; M26-L151 HydrophobicContact CE-CG 4Å; M26-L151 HydrophobicContact CG-CD1 4.29Å; M26-L151 HydrophobicContact CG-CD2 3.64Å; M26-L151 HydrophobicContact SD-CD1 4.41Å; M26-L151 HydrophobicContact SD-CD2 3.16Å; M26-L151 WeakPolarHBondContact SD-CD2 3.29Å; M26-L151 HydrophobicContact SD-CG 4.36Å; I147-L151 HydrophobicContact CG2-CD1 3.64Å; I147-L151 HydrophobicContact CG2-CG 4.25Å; I147-L151 WeakPolarHBondContact O-CB 3.41Å; I147-L151 WeakPolarHBondContact O-CG 3.37Å; I147-L151 PolarHBondContact O-N 3.19Å; E148-L151 PolarHBondContact O-N 3.27Å; V149-L151 PolarHBondContact O-N 2.79Å
152	S	62.6	Low	56.2	Low	90 Å²	90	67.7 Å²	67.7	63%	0.629	35%	0.346	S	S	*	.	H	α-helix	trans	-91.8	-14.2	173.1	55.9	0	0	0	0	112.3	E148 V149	E148-S152 WeakPolarHBondContact O-CB 3.34Å; E148-S152 PolarHBondContact O-N 2.86Å; E148-S152 PolarHBondContact O-OG 3.33Å; V149-S152 WeakPolarHBondContact CA-OG 3.38Å; V149-S152 PolarHBondContact O-N 2.86Å; V149-S152 PolarHBondContact O-OG 3.32Å
153	A	54.8	Low	56.5	Low	21 Å²	21	72.2 Å²	72.2	17%	0.174	36%	0.359	C	S	.	.	S	Bend	trans	-68.8	136.8	177.2	0	0	0	0	0	111.7	V149 R157 C158	V149-A153 WeakPolarHBondContact O-CB 3.28Å; V149-A153 PolarHBondContact O-N 3.46Å; A153-R157 HydrophobicContact CB-CB 3.68Å; A153-C158 VanDerWaalsContact CB-SG 3.54Å
154	D	59.8	Low	56.5	Low	89 Å²	89	72.3 Å²	72.3	48%	0.476	36%	0.362	S	S	.	.			trans	-70.6	163.3	163.2	67.1	11.6	0	0	0	110.1	K156 R157 C158	D154-K156 PolarHBondContact O-N 3.15Å; D154-K156 PolarHBondContact OD1-N 3.46Å; D154-R157 PolarHBondContact O-N 3.39Å; D154-R157 VanDerWaalsContact OD1-CB 3.24Å; D154-R157 WeakPolarHBondContact OD1-CB 3.33Å; D154-R157 VanDerWaalsContact OD1-CG 3.23Å; D154-R157 WeakPolarHBondContact OD1-CG 3.33Å; D154-R157 PolarHBondContact OD1-N 3.15Å; D154-C158 PolarHBondContact O-N 3.48Å; D154-C158 PolarHBondContact O-SG 2.83Å
155	L	52.4	Low	56.4	Low	109 Å²	109	71 Å²	71	57%	0.571	36%	0.358	S	S	*	.	H	α-helix	trans	-51.4	-35.6	-178.4	-174.8	71.4	0	0	0	112.5	C158 I159	L155-C158 PolarHBondContact O-N 3.45Å; L155-I159 HydrophobicContact CG-CD1 4.3Å; L155-I159 WeakPolarHBondContact O-CG1 3.27Å; L155-I159 PolarHBondContact O-N 2.86Å
156	K	61.6	Low	56.3	Low	159 Å²	159	69.3 Å²	69.3	69%	0.691	35%	0.351	S	S	*	.	H	α-helix	trans	-69.1	-42.5	-179.5	-170.9	179.5	179.2	-175.6	0	111.8	D154 I159 T160	D154-K156 PolarHBondContact O-N 3.15Å; D154-K156 PolarHBondContact OD1-N 3.46Å; K156-I159 PolarHBondContact O-N 2.96Å; K156-T160 PolarHBondContact O-N 3.02Å; K156-T160 PolarHBondContact O-OG1 2.92Å
157	R	58.3	Low	56.3	Low	164 Å²	164	76.8 Å²	76.8	62%	0.619	38%	0.377	S	S	*	.	H	α-helix	trans	-64.9	-41.3	172.4	-77.6	177.2	177.6	-164.6	-3.3	110.8	A153 D154 I159 T160 F161	A153-R157 HydrophobicContact CB-CB 3.68Å; D154-R157 PolarHBondContact O-N 3.39Å; D154-R157 VanDerWaalsContact OD1-CB 3.24Å; D154-R157 WeakPolarHBondContact OD1-CB 3.33Å; D154-R157 VanDerWaalsContact OD1-CG 3.23Å; D154-R157 WeakPolarHBondContact OD1-CG 3.33Å; D154-R157 PolarHBondContact OD1-N 3.15Å; R157-I159 VanDerWaalsContact C-N 3.35Å; R157-I159 PolarHBondContact O-N 3.37Å; R157-T160 PolarHBondContact O-N 3.04Å; R157-T160 VanDerWaalsContact O-N 3.14Å; R157-F161 WeakPolarHBondContact O-CB 3.48Å; R157-F161 PolarHBondContact O-N 2.79Å
158	C	49.9	Very low	56.2	Low	12 Å²	12	77 Å²	77	8%	0.081	38%	0.377	C	S	.	.	H	α-helix	trans	-57.7	-45.1	175.2	-67.2	0	0	0	0	112.2	A153 D154 L155 T160 F161 E162	A153-C158 VanDerWaalsContact CB-SG 3.54Å; D154-C158 PolarHBondContact O-N 3.48Å; D154-C158 PolarHBondContact O-SG 2.83Å; L155-C158 PolarHBondContact O-N 3.45Å; C158-T160 PolarHBondContact O-N 3.26Å; C158-F161 PolarHBondContact O-N 3.36Å; C158-E162 VanDerWaalsContact O-CB 3.31Å; C158-E162 WeakPolarHBondContact O-CB 3.36Å; C158-E162 PolarHBondContact O-N 3.37Å
159	I	52	Low	55.9	Low	76 Å²	76	73.7 Å²	73.7	39%	0.39	36%	0.362	S	S	.	.	H	α-helix	trans	-64.8	-39.4	176.6	-66.4	164	0	0	0	111.6	L155 K156 R157 K163	L155-I159 HydrophobicContact CG-CD1 4.3Å; L155-I159 WeakPolarHBondContact O-CG1 3.27Å; L155-I159 PolarHBondContact O-N 2.86Å; K156-I159 PolarHBondContact O-N 2.96Å; R157-I159 VanDerWaalsContact C-N 3.35Å; R157-I159 PolarHBondContact O-N 3.37Å; I159-K163 WeakPolarHBondContact O-CG 3.26Å; I159-K163 PolarHBondContact O-N 3.48Å
160	T	60.8	Low	55.7	Low	86 Å²	86	79.1 Å²	79.1	53%	0.528	37%	0.374	S	S	.	.	H	α-helix	trans	-67	-44.2	179.1	-54	0	0	0	0	110.6	K156 R157 C158 K163 A164	K156-T160 PolarHBondContact O-N 3.02Å; K156-T160 PolarHBondContact O-OG1 2.92Å; R157-T160 PolarHBondContact O-N 3.04Å; R157-T160 VanDerWaalsContact O-N 3.14Å; C158-T160 PolarHBondContact O-N 3.26Å; T160-K163 PolarHBondContact O-N 2.86Å; T160-A164 PolarHBondContact O-N 2.75Å
161	F	52.8	Low	55.5	Low	22 Å²	22	81.9 Å²	81.9	10%	0.096	39%	0.388	C	S	.	.	H	α-helix	trans	-64.1	-41.7	177.1	-173.5	-97.2	0	0	0	111.4	L146 L150 R157 C158 K163 A164 L165	L146-F161 HydrophobicContact CD1-CE1 4.38Å; L146-F161 HydrophobicContact CD1-CE2 3.85Å; L146-F161 HydrophobicContact CD1-CZ 3.32Å; L146-F161 HydrophobicContact CD2-CZ 4.25Å; L146-F161 HydrophobicContact CG-CE1 4.3Å; L146-F161 HydrophobicContact CG-CZ 3.67Å; L150-F161 HydrophobicContact CD1-CE1 4.12Å; L150-F161 HydrophobicContact CD2-CD1 3.37Å; L150-F161 HydrophobicContact CD2-CE1 3.59Å; L150-F161 HydrophobicContact CD2-CG 4.29Å; L150-F161 HydrophobicContact CG-CD1 4.12Å; L150-F161 HydrophobicContact CG-CE1 3.84Å; R157-F161 WeakPolarHBondContact O-CB 3.48Å; R157-F161 PolarHBondContact O-N 2.79Å; C158-F161 PolarHBondContact O-N 3.36Å; F161-K163 PolarHBondContact O-N 3.33Å; F161-A164 PolarHBondContact O-N 2.87Å; F161-L165 HydrophobicContact CD1-CD1 3.71Å; F161-L165 HydrophobicContact CD1-CG 4.42Å; F161-L165 HydrophobicContact CE1-CD1 3.09Å; F161-L165 HydrophobicContact CE1-CG 3.9Å; F161-L165 HydrophobicContact CZ-CD1 3.66Å; F161-L165 HydrophobicContact CZ-CG 4.07Å; F161-L165 WeakPolarHBondContact O-CB 3.32Å; F161-L165 PolarHBondContact O-N 3.29Å
162	E	54.4	Low	55.3	Low	25 Å²	25	82.9 Å²	82.9	12%	0.117	39%	0.393	C	S	.	.	H	α-helix	trans	-57.1	-47.9	172	-178	-128.9	142	0	0	111.5	D112 C158 A164 L165 R166	D112-E162 HydrophobicContact CB-CG 3.99Å; C158-E162 VanDerWaalsContact O-CB 3.31Å; C158-E162 WeakPolarHBondContact O-CB 3.36Å; C158-E162 PolarHBondContact O-N 3.37Å; E162-A164 VanDerWaalsContact C-N 3.31Å; E162-A164 PolarHBondContact O-N 2.65Å; E162-L165 PolarHBondContact O-N 3.08Å; E162-R166 WeakPolarHBondContact O-CB 3.48Å; E162-R166 PolarHBondContact O-N 2.92Å; E162-R166 WeakPolarHBondContact OE1-CD 3.34Å; E162-R166 IonicContact OE1-CZ 3.04Å; E162-R166 VanDerWaalsContact OE1-CZ 3.31Å; E162-R166 IonicContact OE1-NE 3.34Å; E162-R166 IonicContact OE1-NH1 3.44Å; E162-R166 PolarHBondContact OE1-NH1 3.46Å
163	K	58.9	Low	54.6	Low	131 Å²	131	83 Å²	83	57%	0.57	39%	0.385	S	S	*	.	H	α-helix	trans	-61.1	-40.4	176.8	-74.1	177.5	-179.3	178.9	0	112.2	I159 T160 F161 R167	I159-K163 WeakPolarHBondContact O-CG 3.26Å; I159-K163 PolarHBondContact O-N 3.48Å; T160-K163 PolarHBondContact O-N 2.86Å; F161-K163 PolarHBondContact O-N 3.33Å; K163-R167 WeakPolarHBondContact O-CB 3.48Å; K163-R167 WeakPolarHBondContact O-CG 3.27Å; K163-R167 PolarHBondContact O-N 3.11Å; K163-R167 VanDerWaalsContact O-N 3.09Å
164	A	53.5	Low	54.3	Low	31 Å²	31	87.1 Å²	87.1	26%	0.256	40%	0.4	S	S	.	.	H	α-helix	trans	-67	-46.6	177	0	0	0	0	0	111.4	T160 F161 E162 R167 K168	T160-A164 PolarHBondContact O-N 2.75Å; F161-A164 PolarHBondContact O-N 2.87Å; E162-A164 VanDerWaalsContact C-N 3.31Å; E162-A164 PolarHBondContact O-N 2.65Å; A164-R167 PolarHBondContact O-N 2.99Å; A164-K168 WeakPolarHBondContact O-CG 2.88Å; A164-K168 PolarHBondContact O-N 3.37Å
165	L	53.9	Low	53.7	Low	28 Å²	28	84.8 Å²	84.8	15%	0.147	39%	0.387	C	S	.	.	H	α-helix	trans	-61.2	-49.6	175.8	-102.3	173.2	0	0	0	111.3	A116 M120 F161 E162 R167 K168 I169	A116-L165 HydrophobicContact CB-CD1 4.29Å; M120-L165 HydrophobicContact SD-CD1 3.98Å; M120-L165 HydrophobicContact SD-CD2 4.31Å; F161-L165 HydrophobicContact CD1-CD1 3.71Å; F161-L165 HydrophobicContact CD1-CG 4.42Å; F161-L165 HydrophobicContact CE1-CD1 3.09Å; F161-L165 HydrophobicContact CE1-CG 3.9Å; F161-L165 HydrophobicContact CZ-CD1 3.66Å; F161-L165 HydrophobicContact CZ-CG 4.07Å; F161-L165 WeakPolarHBondContact O-CB 3.32Å; F161-L165 PolarHBondContact O-N 3.29Å; E162-L165 PolarHBondContact O-N 3.08Å; L165-R167 VanDerWaalsContact C-N 3.28Å; L165-R167 PolarHBondContact O-N 3.42Å; L165-K168 CarbonylContact O-C 3.53Å; L165-K168 PolarHBondContact O-N 2.95Å; L165-I169 HydrophobicContact CB-CD1 4.44Å; L165-I169 HydrophobicContact CD2-CD1 4.12Å; L165-I169 HydrophobicContact CD2-CG1 4.31Å; L165-I169 WeakPolarHBondContact O-CB 3.21Å; L165-I169 WeakPolarHBondContact O-CG1 3.28Å; L165-I169 PolarHBondContact O-N 2.72Å
166	R	54.6	Low	53.5	Low	89 Å²	89	81.5 Å²	81.5	34%	0.336	38%	0.379	S	S	.	.	H	α-helix	trans	-56.1	-43.6	177.2	-89	-174	167.7	164.3	-3	111.3	D112 E115 E162 W170	D112-R166 IonicContact OD1-CZ 3.98Å; D112-R166 IonicContact OD1-NH1 2.78Å; D112-R166 PolarHBondContact OD1-NH1 2.84Å; D112-R166 IonicContact OD1-NH2 3.51Å; D112-R166 PolarHBondContact OD1-NH2 3.38Å; E115-R166 IonicContact OE2-CZ 3.31Å; E115-R166 IonicContact OE2-NH2 2.76Å; E115-R166 PolarHBondContact OE2-NH2 2.93Å; E162-R166 WeakPolarHBondContact O-CB 3.48Å; E162-R166 PolarHBondContact O-N 2.92Å; E162-R166 WeakPolarHBondContact OE1-CD 3.34Å; E162-R166 IonicContact OE1-CZ 3.04Å; E162-R166 VanDerWaalsContact OE1-CZ 3.31Å; E162-R166 IonicContact OE1-NE 3.34Å; E162-R166 IonicContact OE1-NH1 3.44Å; E162-R166 PolarHBondContact OE1-NH1 3.46Å; R166-W170 VanDerWaalsContact O-CB 3.27Å; R166-W170 WeakPolarHBondContact O-CB 3.45Å; R166-W170 PolarHBondContact O-N 2.94Å
167	R	58	Low	52.8	Low	195 Å²	195	81 Å²	81	74%	0.736	37%	0.373	S	S	*	.	H	α-helix	trans	-61.1	-45.4	174.7	-78.9	178.1	179.4	-177.1	-0.1	112	K163 A164 L165 W170 M171	K163-R167 WeakPolarHBondContact O-CB 3.48Å; K163-R167 WeakPolarHBondContact O-CG 3.27Å; K163-R167 PolarHBondContact O-N 3.11Å; K163-R167 VanDerWaalsContact O-N 3.09Å; A164-R167 PolarHBondContact O-N 2.99Å; L165-R167 VanDerWaalsContact C-N 3.28Å; L165-R167 PolarHBondContact O-N 3.42Å; R167-W170 PolarHBondContact O-N 3.2Å; R167-M171 WeakPolarHBondContact O-CB 3.45Å; R167-M171 PolarHBondContact O-N 2.73Å
168	K	54.7	Low	52.1	Low	39 Å²	39	75.3 Å²	75.3	17%	0.17	36%	0.356	C	S	.	.	H	α-helix	trans	-69.7	-42	-179.3	-73.1	-169.8	-179.9	-163.5	0	112.7	A164 L165 M171 I172 D196 I197	A164-K168 WeakPolarHBondContact O-CG 2.88Å; A164-K168 PolarHBondContact O-N 3.37Å; L165-K168 CarbonylContact O-C 3.53Å; L165-K168 PolarHBondContact O-N 2.95Å; K168-M171 CarbonylContact O-C 3.46Å; K168-M171 WeakPolarHBondContact O-CA 3.19Å; K168-M171 WeakPolarHBondContact O-CB 3.26Å; K168-M171 PolarHBondContact O-N 3.33Å; K168-M171 VanDerWaalsContact O-N 3.13Å; K168-I172 WeakPolarHBondContact O-CG1 3.5Å; K168-I172 PolarHBondContact O-N 3.28Å; K168-D196 PolarHBondContact NZ-O 3.15Å; K168-I197 HydrophobicContact CD-CG1 4.49Å; K168-I197 VanDerWaalsContact NZ-CA 3.25Å
169	I	54	Low	51.8	Low	19 Å²	19	76.4 Å²	76.4	10%	0.097	37%	0.37	C	S	.	.	H	α-helix	trans	-59.7	-48.3	173.1	-67.2	169.7	0	0	0	109.6	F119 L165 M171 I172 L173	F119-I169 HydrophobicContact CD1-CD1 3.33Å; F119-I169 HydrophobicContact CD1-CG1 3.73Å; F119-I169 HydrophobicContact CD1-CG2 4.25Å; F119-I169 HydrophobicContact CD2-CG2 4.41Å; F119-I169 HydrophobicContact CE1-CB 4.13Å; F119-I169 HydrophobicContact CE1-CD1 3.63Å; F119-I169 HydrophobicContact CE1-CG1 3.44Å; F119-I169 VanDerWaalsContact CE1-CG1 3.44Å; F119-I169 HydrophobicContact CE1-CG2 3.67Å; F119-I169 HydrophobicContact CE2-CG2 3.85Å; F119-I169 HydrophobicContact CG-CD1 3.97Å; F119-I169 HydrophobicContact CZ-CB 4.35Å; F119-I169 HydrophobicContact CZ-CD1 4.46Å; F119-I169 HydrophobicContact CZ-CG1 4.15Å; F119-I169 HydrophobicContact CZ-CG2 3.44Å; F119-I169 VanDerWaalsContact CZ-CG2 3.44Å; L165-I169 HydrophobicContact CB-CD1 4.44Å; L165-I169 HydrophobicContact CD2-CD1 4.12Å; L165-I169 HydrophobicContact CD2-CG1 4.31Å; L165-I169 WeakPolarHBondContact O-CB 3.21Å; L165-I169 WeakPolarHBondContact O-CG1 3.28Å; L165-I169 PolarHBondContact O-N 2.72Å; I169-M171 VanDerWaalsContact C-N 3.26Å; I169-M171 PolarHBondContact O-N 3.48Å; I169-I172 PolarHBondContact O-N 2.97Å; I169-L173 HydrophobicContact CG2-CD1 3.84Å; I169-L173 HydrophobicContact CG2-CG 4.27Å; I169-L173 WeakPolarHBondContact O-CB 3.21Å; I169-L173 WeakPolarHBondContact O-CG 3.4Å; I169-L173 PolarHBondContact O-N 3.31Å
170	W	53.9	Low	51.5	Low	184 Å²	184	80.5 Å²	80.5	70%	0.697	39%	0.387	S	S	*	.	H	α-helix	trans	-58.3	-40.1	174.2	-105.3	90.5	0	0	0	112	R166 R167 F174	R166-W170 VanDerWaalsContact O-CB 3.27Å; R166-W170 WeakPolarHBondContact O-CB 3.45Å; R166-W170 PolarHBondContact O-N 2.94Å; R167-W170 PolarHBondContact O-N 3.2Å; W170-F174 WeakPolarHBondContact O-CA 3.47Å; W170-F174 WeakPolarHBondContact O-CB 3.22Å; W170-F174 PolarHBondContact O-N 3.13Å
171	M	50.4	Low	50.6	Low	82 Å²	82	80.4 Å²	80.4	40%	0.404	39%	0.386	S	S	.	.	H	α-helix	trans	-65	-44.5	174.6	-102.2	174	72.5	0	0	112.7	R167 K168 I169 F174 I175 F192	R167-M171 WeakPolarHBondContact O-CB 3.45Å; R167-M171 PolarHBondContact O-N 2.73Å; K168-M171 CarbonylContact O-C 3.46Å; K168-M171 WeakPolarHBondContact O-CA 3.19Å; K168-M171 WeakPolarHBondContact O-CB 3.26Å; K168-M171 PolarHBondContact O-N 3.33Å; K168-M171 VanDerWaalsContact O-N 3.13Å; I169-M171 VanDerWaalsContact C-N 3.26Å; I169-M171 PolarHBondContact O-N 3.48Å; M171-F174 PolarHBondContact O-N 2.77Å; M171-I175 HydrophobicContact CE-CD1 4.39Å; M171-I175 VanDerWaalsContact O-CB 3.29Å; M171-I175 WeakPolarHBondContact O-CB 3.38Å; M171-I175 WeakPolarHBondContact O-CD1 3.34Å; M171-I175 WeakPolarHBondContact O-CG1 3.09Å; M171-I175 PolarHBondContact O-N 3.39Å; M171-F192 HydrophobicContact CE-CD2 4.07Å; M171-F192 HydrophobicContact CE-CE2 3.03Å; M171-F192 HydrophobicContact CE-CZ 3.32Å; M171-F192 HydrophobicContact SD-CZ 4.41Å
172	I	49.7	Very low	49.8	Very low	90 Å²	90	82 Å²	82	46%	0.462	40%	0.4	S	S	.	.	H	α-helix	trans	-63.7	-46.1	178.7	-68.4	165.1	0	0	0	109.9	K168 I169 I175 G176	K168-I172 WeakPolarHBondContact O-CG1 3.5Å; K168-I172 PolarHBondContact O-N 3.28Å; I169-I172 PolarHBondContact O-N 2.97Å; I172-I175 PolarHBondContact O-N 3.39Å; I172-G176 PolarHBondContact O-N 3.03Å
173	L	48.3	Very low	49.4	Very low	91 Å²	91	85.7 Å²	85.7	48%	0.476	43%	0.426	S	S	.	.	H	α-helix	trans	-63.6	-42.1	175.9	-69.5	175.6	0	0	0	111.3	I169 G176 W177	I169-L173 HydrophobicContact CG2-CD1 3.84Å; I169-L173 HydrophobicContact CG2-CG 4.27Å; I169-L173 WeakPolarHBondContact O-CB 3.21Å; I169-L173 WeakPolarHBondContact O-CG 3.4Å; I169-L173 PolarHBondContact O-N 3.31Å; L173-G176 PolarHBondContact O-N 3.04Å; L173-W177 WeakPolarHBondContact O-CB 3.16Å; L173-W177 PolarHBondContact O-N 3.27Å
174	F	48.4	Very low	49	Very low	109 Å²	109	90.3 Å²	90.3	48%	0.478	44%	0.439	S	S	.	.	H	α-helix	trans	-65.9	-44.1	177.7	-176	-99.5	0	0	0	111.5	W170 M171 W177 V178	W170-F174 WeakPolarHBondContact O-CA 3.47Å; W170-F174 WeakPolarHBondContact O-CB 3.22Å; W170-F174 PolarHBondContact O-N 3.13Å; M171-F174 PolarHBondContact O-N 2.77Å; F174-W177 HydrophobicContact CD2-CE3 4.5Å; F174-W177 PolarHBondContact O-N 3.08Å; F174-V178 HydrophobicContact CD1-CG2 4.04Å; F174-V178 HydrophobicContact CD2-CG2 4.45Å; F174-V178 HydrophobicContact CE1-CG2 3.73Å; F174-V178 HydrophobicContact CE2-CG2 4.17Å; F174-V178 HydrophobicContact CG-CG2 4.39Å; F174-V178 HydrophobicContact CZ-CG2 3.8Å; F174-V178 VanDerWaalsContact O-CB 3.28Å; F174-V178 WeakPolarHBondContact O-CB 3.3Å; F174-V178 WeakPolarHBondContact O-CG2 3.44Å; F174-V178 PolarHBondContact O-N 2.9Å
175	I	48.2	Very low	48.3	Very low	39 Å²	39	96.3 Å²	96.3	20%	0.2	46%	0.457	C	S	.	.	H	α-helix	trans	-65.8	-43.4	176.4	-68.4	164.5	0	0	0	110.2	M171 I172 V178 G179	M171-I175 HydrophobicContact CE-CD1 4.39Å; M171-I175 VanDerWaalsContact O-CB 3.29Å; M171-I175 WeakPolarHBondContact O-CB 3.38Å; M171-I175 WeakPolarHBondContact O-CD1 3.34Å; M171-I175 WeakPolarHBondContact O-CG1 3.09Å; M171-I175 PolarHBondContact O-N 3.39Å; I172-I175 PolarHBondContact O-N 3.39Å; I175-V178 PolarHBondContact O-N 3.44Å; I175-G179 PolarHBondContact O-N 3.48Å
176	G	46.4	Very low	47.8	Very low	40 Å²	40	99.4 Å²	99.4	41%	0.412	48%	0.479	S	S	.	.	H	α-helix	trans	-62.1	-43.4	176	0	0	0	0	0	112	I172 L173 G179 Q180	I172-G176 PolarHBondContact O-N 3.03Å; L173-G176 PolarHBondContact O-N 3.04Å; G176-G179 PolarHBondContact O-N 2.7Å; G176-Q180 PolarHBondContact O-N 2.8Å
177	W	48.4	Very low	47.2	Very low	149 Å²	149	100 Å²	100	56%	0.564	49%	0.492	S	S	*	.	H	α-helix	trans	-66.3	-46.5	176.2	-176.6	72.7	0	0	0	111.9	L173 F174 G179 Q180 V181	L173-W177 WeakPolarHBondContact O-CB 3.16Å; L173-W177 PolarHBondContact O-N 3.27Å; F174-W177 HydrophobicContact CD2-CE3 4.5Å; F174-W177 PolarHBondContact O-N 3.08Å; W177-G179 VanDerWaalsContact C-N 3.28Å; W177-G179 PolarHBondContact O-N 3.42Å; W177-Q180 PolarHBondContact O-N 3.43Å; W177-Q180 VanDerWaalsContact O-N 3.15Å; W177-V181 HydrophobicContact CD2-CG2 4.08Å; W177-V181 HydrophobicContact CG-CG2 4.34Å; W177-V181 HydrophobicContact CZ2-CG2 4.02Å; W177-V181 WeakPolarHBondContact O-CB 3.26Å; W177-V181 VanDerWaalsContact O-CG2 3.3Å; W177-V181 WeakPolarHBondContact O-CG2 3.15Å; W177-V181 PolarHBondContact O-N 3.34Å
178	V	42.2	Very low	46.3	Very low	44 Å²	44	94.5 Å²	94.5	27%	0.267	48%	0.48	S	S	.	.	H	α-helix	trans	-61.4	-38.3	174.4	170.3	0	0	0	0	110.7	F174 I175 V181 C182	F174-V178 HydrophobicContact CD1-CG2 4.04Å; F174-V178 HydrophobicContact CD2-CG2 4.45Å; F174-V178 HydrophobicContact CE1-CG2 3.73Å; F174-V178 HydrophobicContact CE2-CG2 4.17Å; F174-V178 HydrophobicContact CG-CG2 4.39Å; F174-V178 HydrophobicContact CZ-CG2 3.8Å; F174-V178 VanDerWaalsContact O-CB 3.28Å; F174-V178 WeakPolarHBondContact O-CB 3.3Å; F174-V178 WeakPolarHBondContact O-CG2 3.44Å; F174-V178 PolarHBondContact O-N 2.9Å; I175-V178 PolarHBondContact O-N 3.44Å; V178-V181 PolarHBondContact O-N 3.14Å; V178-C182 CarbonylContact O-C 3.58Å; V178-C182 WeakPolarHBondContact O-CA 3.06Å; V178-C182 WeakPolarHBondContact O-CB 3.35Å; V178-C182 PolarHBondContact O-N 2.86Å
179	G	44.3	Very low	45.7	Very low	35 Å²	35	94.9 Å²	94.9	36%	0.361	49%	0.487	S	S	.	.	H	α-helix	trans	-64.1	-38.2	174.8	0	0	0	0	0	113	I175 G176 W177	I175-G179 PolarHBondContact O-N 3.48Å; G176-G179 PolarHBondContact O-N 2.7Å; W177-G179 VanDerWaalsContact C-N 3.28Å; W177-G179 PolarHBondContact O-N 3.42Å
180	Q	46.8	Very low	44.9	Very low	163 Å²	163	98.6 Å²	98.6	76%	0.762	51%	0.514	S	S	*	.	H	α-helix	trans	-72.6	-42.7	174.9	-79.4	-174.2	-12.9	0	0	112.9	G176 W177	G176-Q180 PolarHBondContact O-N 2.8Å; W177-Q180 PolarHBondContact O-N 3.43Å; W177-Q180 VanDerWaalsContact O-N 3.15Å
181	V	41.1	Very low	44.1	Very low	83 Å²	83	94.8 Å²	94.8	50%	0.503	51%	0.512	S	S	.	.	H	α-helix	trans	-78.4	-32.8	-176.6	177	0	0	0	0	111.6	W177 V178	W177-V181 HydrophobicContact CD2-CG2 4.08Å; W177-V181 HydrophobicContact CG-CG2 4.34Å; W177-V181 HydrophobicContact CZ2-CG2 4.02Å; W177-V181 WeakPolarHBondContact O-CB 3.26Å; W177-V181 VanDerWaalsContact O-CG2 3.3Å; W177-V181 WeakPolarHBondContact O-CG2 3.15Å; W177-V181 PolarHBondContact O-N 3.34Å; V178-V181 PolarHBondContact O-N 3.14Å
182	C	35.9	Very low	43.6	Very low	56 Å²	56	95.1 Å²	95.1	38%	0.378	51%	0.511	S	S	.	.			trans	-127.1	75.2	-179.6	-71.9	0	0	0	0	110.6	V178 R184 Y185	V178-C182 CarbonylContact O-C 3.58Å; V178-C182 WeakPolarHBondContact O-CA 3.06Å; V178-C182 WeakPolarHBondContact O-CB 3.35Å; V178-C182 PolarHBondContact O-N 2.86Å; C182-R184 PolarHBondContact O-N 3.36Å; C182-Y185 HydrophobicContact CB-CD2 4.28Å; C182-Y185 PolarHBondContact O-N 2.87Å; C182-Y185 VanDerWaalsContact O-N 3.15Å
183	P	46.4	Very low	43.1	Very low	102 Å²	102	98 Å²	98	66%	0.662	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-6.8	178.9	21.8	-31.9	0	0	0	114.2	Y185	P183-Y185 VanDerWaalsContact C-N 3.3Å; P183-Y185 PolarHBondContact O-N 2.8Å
184	R	50.3	Low	42.9	Very low	228 Å²	228	102.5 Å²	102.5	86%	0.86	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-6	174.8	-76.1	-173.8	174.3	171.2	-0.9	115.1	C182 P186	C182-R184 PolarHBondContact O-N 3.36Å; R184-P186 WeakPolarHBondContact O-CD 3.43Å
185	Y	39	Very low	42.5	Very low	157 Å²	157	102 Å²	102	62%	0.616	54%	0.535	S	S	*	.			trans	-119.4	63.8	175.6	-65.8	-79.4	0	0	0	112.8	C182 P183 T187	C182-Y185 HydrophobicContact CB-CD2 4.28Å; C182-Y185 PolarHBondContact O-N 2.87Å; C182-Y185 VanDerWaalsContact O-N 3.15Å; P183-Y185 VanDerWaalsContact C-N 3.3Å; P183-Y185 PolarHBondContact O-N 2.8Å; Y185-T187 PolarHBondContact O-N 3.35Å
186	P	42.4	Very low	42.1	Very low	94 Å²	94	104 Å²	104	61%	0.61	55%	0.547	S	S	*	.	G	3₁₀ helix	trans	-66.1	-19.1	179.1	25.2	-31.9	0	0	0	113.7	R184	R184-P186 WeakPolarHBondContact O-CD 3.43Å
187	T	43.3	Very low	41.9	Very low	102 Å²	102	106.7 Å²	106.7	63%	0.626	55%	0.55	S	S	*	*	G	3₁₀ helix	trans	-83.6	-14.9	-169.7	26.1	0	0	0	0	115.8	Y185 S189 C190	Y185-T187 PolarHBondContact O-N 3.35Å; T187-S189 PolarHBondContact O-N 3.49Å; T187-C190 PolarHBondContact O-N 2.77Å
188	V	38.6	Very low	41.5	Very low	79 Å²	79	105.5 Å²	105.5	48%	0.479	55%	0.547	S	S	.	.	G	3₁₀ helix	trans	-71.6	-19.9	178.3	-169.7	0	0	0	0	111.4	C190	V188-C190 VanDerWaalsContact C-N 3.31Å; V188-C190 PolarHBondContact O-N 2.65Å
189	S	42.1	Very low	41.6	Very low	46 Å²	46	110.2 Å²	110.2	32%	0.322	57%	0.565	S	S	.	*	G	3₁₀ helix	trans	-73	-18	174.4	175.9	0	0	0	0	113.8	R131 T187	R131-S189 PolarHBondContact NH1-OG 2.76Å; T187-S189 PolarHBondContact O-N 3.49Å
190	C	36.5	Very low	41.4	Very low	98 Å²	98	114.5 Å²	114.5	66%	0.662	58%	0.58	S	S	*	*	S	Bend	trans	-88.4	-18.5	-170.6	-65.4	0	0	0	0	113.8	T187 V188	T187-C190 PolarHBondContact O-N 2.77Å; V188-C190 VanDerWaalsContact C-N 3.31Å; V188-C190 PolarHBondContact O-N 2.65Å
191	T	37.3	Very low	41.1	Very low	104 Å²	104	109.9 Å²	109.9	64%	0.638	57%	0.565	S	S	*	*			trans	-91	1.7	-173.9	51.1	0	0	0	0	114.4	Q193	T191-Q193 PolarHBondContact O-N 3.42Å
192	F	39.5	Very low	41.1	Very low	88 Å²	88	119.6 Å²	119.6	39%	0.386	59%	0.593	S	S	.	*			trans	-77.2	67.2	166.1	-114.9	-107.5	0	0	0	109.7	M171	M171-F192 HydrophobicContact CE-CD2 4.07Å; M171-F192 HydrophobicContact CE-CE2 3.03Å; M171-F192 HydrophobicContact CE-CZ 3.32Å; M171-F192 HydrophobicContact SD-CZ 4.41Å
193	Q	39.5	Very low	41.3	Very low	151 Å²	151	122.8 Å²	122.8	71%	0.706	60%	0.604	S	S	*	*			trans	-73.5	136.6	175.9	-156.4	168.5	-2.9	0	0	108.6	T191 D195	T191-Q193 PolarHBondContact O-N 3.42Å; Q193-D195 PolarHBondContact O-N 2.84Å
194	R	44.8	Very low	41.1	Very low	185 Å²	185	123.9 Å²	123.9	70%	0.698	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-32.8	-19.4	-172.5	-88.8	172.8	168	158.5	-2.5	120.4
195	D	38.9	Very low	40.6	Very low	99 Å²	99	118.1 Å²	118.1	53%	0.529	59%	0.586	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.4	-18.4	-161.6	-62.1	-35.1	0	0	0	114.1	Q193 I197 Y198	Q193-D195 PolarHBondContact O-N 2.84Å; D195-I197 VanDerWaalsContact C-N 3.3Å; D195-I197 PolarHBondContact O-N 2.9Å; D195-Y198 PolarHBondContact O-N 3.23Å
196	D	40.3	Very low	40.7	Very low	82 Å²	82	115.8 Å²	115.8	44%	0.439	58%	0.584	S	S	.	*	H	α-helix	trans	-74	-17	-173.2	-67.4	-22.2	0	0	0	113.8	K168 Y198	K168-D196 PolarHBondContact NZ-O 3.15Å; D196-Y198 VanDerWaalsContact C-N 3.35Å
197	I	43.4	Very low	40.5	Very low	95 Å²	95	117.2 Å²	117.2	49%	0.487	58%	0.583	S	S	.	*	H	α-helix	trans	-71.1	-33.8	176.7	-59.4	177.6	0	0	0	111.3	K168 D195	K168-I197 HydrophobicContact CD-CG1 4.49Å; K168-I197 VanDerWaalsContact NZ-CA 3.25Å; D195-I197 VanDerWaalsContact C-N 3.3Å; D195-I197 PolarHBondContact O-N 2.9Å
198	Y	39.7	Very low	40.4	Very low	124 Å²	124	118.2 Å²	118.2	49%	0.486	58%	0.58	S	S	.	*	H	α-helix	trans	-87.8	-30.7	-172.8	-69.5	-75.9	0	0	0	113.5	D195 D196	D195-Y198 PolarHBondContact O-N 3.23Å; D196-Y198 VanDerWaalsContact C-N 3.35Å
199	H	43.4	Very low	40.5	Very low	143 Å²	143	121 Å²	121	66%	0.662	59%	0.587	S	S	*	*	H	α-helix	trans	-75.6	-27.8	-172	-86.5	-66.2	0	0	0	115.3
200	D	40.7	Very low	40.4	Very low	125 Å²	125	126.8 Å²	126.8	67%	0.668	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-7.4	-175.5	-77.3	-19.2	0	0	0	114.4
201	C	40.3	Very low	40.7	Very low	66 Å²	66	129.2 Å²	129.2	45%	0.446	60%	0.603	S	S	.	*	T	Hydrogen-bonded Turn	trans	-101.4	-2.9	-173.9	-67.2	0	0	0	0	114.9
202	W	40.6	Very low	41	Very low	288 Å²	288	131.5 Å²	131.5	100%	1.091	60%	0.6	S	S	*	*			trans	-106	0	178.7	-75.7	76.8	0	0	0	111.3

Retrieved 202 of 202 residues in 89.1 ms (Link to these results)

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