A0A077ZJ55_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZJ55, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 181 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.4	Very low	25.2	Very low	238 Å²	238	115.9 Å²	115.9	100%	1.172	65%	0.652	S	S	*	*				0	112.7	0	-83.9	167.1	154.9	0	0	107.5
2	S	33.6	Very low	25	Very low	89 Å²	89	116.2 Å²	116.2	62%	0.622	64%	0.644	S	S	*	*			trans	-77.7	132.8	-172.1	-51.2	0	0	0	0	110.6	S4 A5	S2-S4 PolarHBondContact O-N 3.46Å; S2-A5 PolarHBondContact O-N 3.43Å
3	P	35.1	Very low	25	Very low	113 Å²	113	115.9 Å²	115.9	73%	0.734	64%	0.639	S	S	*	*	H	α-helix	trans	-58.8	-19.9	-173	17.8	-29.1	0	0	0	114.4	A5 L6 H7	P3-A5 PolarHBondContact O-N 2.95Å; P3-L6 PolarHBondContact O-N 3.29Å; P3-H7 PolarHBondContact O-N 2.01Å
4	S	31.2	Very low	24.7	Very low	87 Å²	87	114.6 Å²	114.6	61%	0.608	63%	0.631	S	S	*	*	H	α-helix	trans	-63.6	-34.3	177.7	-40.6	0	0	0	0	113.7	S2 H7 V8	S2-S4 PolarHBondContact O-N 3.46Å; S4-H7 PolarHBondContact O-N 3.25Å; S4-V8 WeakPolarHBondContact O-CG2 3.35Å; S4-V8 PolarHBondContact O-N 3.37Å
5	A	22.7	Very low	24.9	Very low	66 Å²	66	114.8 Å²	114.8	55%	0.545	63%	0.63	S	S	.	*	H	α-helix	trans	-75.3	-28.6	-177.2	0	0	0	0	0	113	S2 P3	S2-A5 PolarHBondContact O-N 3.43Å; P3-A5 PolarHBondContact O-N 2.95Å
6	L	19.7	Very low	25.2	Very low	125 Å²	125	116.4 Å²	116.4	65%	0.654	63%	0.631	S	S	*	*	H	α-helix	trans	-72.7	-38.8	175	-123	105.3	0	0	0	111	P3 R9 C10	P3-L6 PolarHBondContact O-N 3.29Å; L6-R9 PolarHBondContact O-N 3.5Å; L6-C10 PolarHBondContact O-N 3.19Å
7	H	18.4	Very low	25.5	Very low	142 Å²	142	114.9 Å²	114.9	66%	0.657	62%	0.622	S	S	*	*	H	α-helix	trans	-67.5	-37.3	-178	-141.8	79.4	0	0	0	112.5	P3 S4 C11	P3-H7 PolarHBondContact O-N 2.01Å; S4-H7 PolarHBondContact O-N 3.25Å; H7-C11 PolarHBondContact O-N 2.94Å
8	V	20.4	Very low	26.1	Very low	92 Å²	92	112.9 Å²	112.9	56%	0.558	61%	0.611	S	S	*	*	H	α-helix	trans	-66.3	-41.4	176	176.7	0	0	0	0	111.4	S4 C11 E12	S4-V8 WeakPolarHBondContact O-CG2 3.35Å; S4-V8 PolarHBondContact O-N 3.37Å; V8-C11 PolarHBondContact O-N 3.27Å; V8-E12 PolarHBondContact O-N 2.86Å
9	R	21.6	Very low	27	Very low	187 Å²	187	109.7 Å²	109.7	71%	0.706	60%	0.598	S	S	*	*	H	α-helix	trans	-66.7	-36.6	178.4	-77.7	-172.4	-171.7	-174	2.2	113.5	L6 E12 I13	L6-R9 PolarHBondContact O-N 3.5Å; R9-E12 PolarHBondContact O-N 3.41Å; R9-I13 VanDerWaalsContact O-CG1 3.28Å; R9-I13 WeakPolarHBondContact O-CG1 2.97Å; R9-I13 PolarHBondContact O-N 3.49Å; R9-I13 VanDerWaalsContact O-N 3.11Å
10	C	21.2	Very low	27.5	Very low	69 Å²	69	108 Å²	108	47%	0.466	59%	0.585	S	S	.	*	H	α-helix	trans	-65.9	-43.8	174.9	-70.1	0	0	0	0	111.2	L6 E12 I13 D14	L6-C10 PolarHBondContact O-N 3.19Å; C10-E12 VanDerWaalsContact C-N 3.31Å; C10-E12 PolarHBondContact O-N 3.49Å; C10-I13 PolarHBondContact O-N 3.12Å; C10-D14 PolarHBondContact O-N 2.87Å
11	C	20.1	Very low	28.2	Very low	67 Å²	67	107.7 Å²	107.7	45%	0.453	58%	0.579	S	S	.	*	H	α-helix	trans	-61.6	-36.6	175.8	-79.5	0	0	0	0	112.9	H7 V8 L15	H7-C11 PolarHBondContact O-N 2.94Å; V8-C11 PolarHBondContact O-N 3.27Å; C11-L15 WeakPolarHBondContact O-CB 2.79Å; C11-L15 PolarHBondContact O-N 3.34Å
12	E	22.3	Very low	29.1	Very low	119 Å²	119	103.7 Å²	103.7	56%	0.556	55%	0.551	S	S	*	*	H	α-helix	trans	-68.3	-39.4	177.1	-117	171.1	167.7	0	0	112.6	V8 R9 C10 H16	V8-E12 PolarHBondContact O-N 2.86Å; R9-E12 PolarHBondContact O-N 3.41Å; C10-E12 VanDerWaalsContact C-N 3.31Å; C10-E12 PolarHBondContact O-N 3.49Å; E12-H16 WeakPolarHBondContact O-CB 3.21Å; E12-H16 PolarHBondContact O-CD2 2.93Å; E12-H16 PolarHBondContact O-N 3.27Å
13	I	25.3	Very low	30	Very low	113 Å²	113	103.6 Å²	103.6	58%	0.579	54%	0.541	S	S	*	.	H	α-helix	trans	-69.6	-41.9	176.7	-66.1	167.3	0	0	0	110.5	R9 C10 H16 L17	R9-I13 VanDerWaalsContact O-CG1 3.28Å; R9-I13 WeakPolarHBondContact O-CG1 2.97Å; R9-I13 PolarHBondContact O-N 3.49Å; R9-I13 VanDerWaalsContact O-N 3.11Å; C10-I13 PolarHBondContact O-N 3.12Å; I13-H16 PolarHBondContact O-N 3.48Å; I13-L17 WeakPolarHBondContact O-CB 3.46Å; I13-L17 PolarHBondContact O-N 3.06Å
14	D	20.8	Very low	30.5	Very low	97 Å²	97	102 Å²	102	52%	0.519	52%	0.524	S	S	.	.	H	α-helix	trans	-64.5	-41	175.9	-80.2	-41.2	0	0	0	111.6	C10 H16 L17 D18	C10-D14 PolarHBondContact O-N 2.87Å; D14-H16 PolarHBondContact O-N 2.99Å; D14-L17 PolarHBondContact O-N 3.3Å; D14-D18 VanDerWaalsContact O-CB 3.32Å; D14-D18 WeakPolarHBondContact O-CB 3.49Å; D14-D18 PolarHBondContact O-N 3Å
15	L	27	Very low	31.6	Very low	118 Å²	118	104.1 Å²	104.1	62%	0.618	52%	0.524	S	S	*	.	H	α-helix	trans	-64.4	-38.4	173.9	-108.2	119.3	0	0	0	112.7	C11 S19	C11-L15 WeakPolarHBondContact O-CB 2.79Å; C11-L15 PolarHBondContact O-N 3.34Å; L15-S19 VanDerWaalsContact O-CB 3.3Å; L15-S19 WeakPolarHBondContact O-CB 3.18Å; L15-S19 PolarHBondContact O-N 3.47Å; L15-S19 PolarHBondContact O-OG 3.2Å
16	H	30.6	Very low	33.4	Very low	141 Å²	141	106.8 Å²	106.8	65%	0.653	53%	0.525	S	S	*	.	H	α-helix	trans	-69	-36.5	175.1	-97.4	-76.8	0	0	0	112.1	E12 I13 D14 S19 F20	E12-H16 WeakPolarHBondContact O-CB 3.21Å; E12-H16 PolarHBondContact O-CD2 2.93Å; E12-H16 PolarHBondContact O-N 3.27Å; I13-H16 PolarHBondContact O-N 3.48Å; D14-H16 PolarHBondContact O-N 2.99Å; H16-S19 WeakPolarHBondContact CA-OG 3.41Å; H16-S19 PolarHBondContact O-OG 3.41Å; H16-S19 VanDerWaalsContact O-OG 3.09Å; H16-F20 WeakPolarHBondContact O-CB 3.44Å; H16-F20 PolarHBondContact O-N 2.94Å
17	L	29.7	Very low	35	Very low	91 Å²	91	102 Å²	102	48%	0.476	50%	0.499	S	S	.	.	H	α-helix	trans	-70.6	-42.3	176.6	-160	71.7	0	0	0	111.2	I13 D14 F20 Q21	I13-L17 WeakPolarHBondContact O-CB 3.46Å; I13-L17 PolarHBondContact O-N 3.06Å; D14-L17 PolarHBondContact O-N 3.3Å; L17-F20 PolarHBondContact O-N 3.34Å; L17-Q21 VanDerWaalsContact O-CB 3.29Å; L17-Q21 WeakPolarHBondContact O-CB 3.4Å; L17-Q21 WeakPolarHBondContact O-CG 3.03Å; L17-Q21 PolarHBondContact O-N 3.43Å
18	D	36.3	Very low	36.6	Very low	78 Å²	78	98.3 Å²	98.3	42%	0.417	48%	0.483	S	S	.	.	H	α-helix	trans	-66.2	-41.3	176.4	-92.6	-4.6	0	0	0	112.6	D14 R22	D14-D18 VanDerWaalsContact O-CB 3.32Å; D14-D18 WeakPolarHBondContact O-CB 3.49Å; D14-D18 PolarHBondContact O-N 3Å; D18-R22 VanDerWaalsContact O-CB 3.25Å; D18-R22 WeakPolarHBondContact O-CB 3.49Å; D18-R22 VanDerWaalsContact O-CG 3.3Å; D18-R22 WeakPolarHBondContact O-CG 3.4Å; D18-R22 PolarHBondContact O-N 3.47Å; D18-R22 PolarHBondContact O-NE 3.22Å
19	S	43.7	Very low	38.5	Very low	52 Å²	52	99.3 Å²	99.3	36%	0.364	48%	0.481	S	S	.	.	H	α-helix	trans	-68.6	-40.7	176	55.9	0	0	0	0	110.9	L15 H16 R22 Q23	L15-S19 VanDerWaalsContact O-CB 3.3Å; L15-S19 WeakPolarHBondContact O-CB 3.18Å; L15-S19 PolarHBondContact O-N 3.47Å; L15-S19 PolarHBondContact O-OG 3.2Å; H16-S19 WeakPolarHBondContact CA-OG 3.41Å; H16-S19 PolarHBondContact O-OG 3.41Å; H16-S19 VanDerWaalsContact O-OG 3.09Å; S19-R22 PolarHBondContact O-N 2.86Å; S19-Q23 WeakPolarHBondContact O-CB 3.5Å; S19-Q23 PolarHBondContact O-N 2.98Å
20	F	37.4	Very low	40.1	Very low	76 Å²	76	95.9 Å²	95.9	33%	0.333	47%	0.473	S	S	.	.	H	α-helix	trans	-65.9	-42	175.2	-173.8	-104.7	0	0	0	112.4	H16 L17 Q23 Q24	H16-F20 WeakPolarHBondContact O-CB 3.44Å; H16-F20 PolarHBondContact O-N 2.94Å; L17-F20 PolarHBondContact O-N 3.34Å; F20-Q23 PolarHBondContact O-N 3.35Å; F20-Q24 HydrophobicContact CD1-CG 4.46Å; F20-Q24 HydrophobicContact CE1-CG 4.21Å; F20-Q24 HydrophobicContact CZ-CG 4.45Å; F20-Q24 WeakPolarHBondContact O-CG 3.5Å; F20-Q24 PolarHBondContact O-N 2.79Å
21	Q	42.4	Very low	41.5	Very low	102 Å²	102	93.8 Å²	93.8	48%	0.477	46%	0.456	S	S	.	.	H	α-helix	trans	-65.6	-43.8	174.4	-80.2	-173.6	-24.7	0	0	111.8	L17 Q23 Q24 Q25	L17-Q21 VanDerWaalsContact O-CB 3.29Å; L17-Q21 WeakPolarHBondContact O-CB 3.4Å; L17-Q21 WeakPolarHBondContact O-CG 3.03Å; L17-Q21 PolarHBondContact O-N 3.43Å; Q21-Q23 VanDerWaalsContact C-N 3.29Å; Q21-Q23 PolarHBondContact O-N 3.38Å; Q21-Q24 PolarHBondContact O-N 3.49Å; Q21-Q25 WeakPolarHBondContact O-CB 3.22Å; Q21-Q25 WeakPolarHBondContact O-CG 3.48Å; Q21-Q25 PolarHBondContact O-N 3.34Å
22	R	52.3	Low	42.9	Very low	153 Å²	153	98 Å²	98	58%	0.577	46%	0.462	S	S	*	.	H	α-helix	trans	-60.9	-39.8	173.3	-81.4	-175.7	-90.2	-178.3	-11.5	111.6	D18 S19 Q25 Q26	D18-R22 VanDerWaalsContact O-CB 3.25Å; D18-R22 WeakPolarHBondContact O-CB 3.49Å; D18-R22 VanDerWaalsContact O-CG 3.3Å; D18-R22 WeakPolarHBondContact O-CG 3.4Å; D18-R22 PolarHBondContact O-N 3.47Å; D18-R22 PolarHBondContact O-NE 3.22Å; S19-R22 PolarHBondContact O-N 2.86Å; R22-Q25 PolarHBondContact O-N 2.75Å; R22-Q26 VanDerWaalsContact O-CB 3.29Å; R22-Q26 WeakPolarHBondContact O-CB 3.31Å; R22-Q26 PolarHBondContact O-N 3.35Å
23	Q	52.5	Low	44.5	Very low	87 Å²	87	97.6 Å²	97.6	41%	0.407	46%	0.461	S	S	.	.	H	α-helix	trans	-68.8	-38.2	177.4	-159.9	171.3	11.8	0	0	111.6	S19 F20 Q21 Q27	S19-Q23 WeakPolarHBondContact O-CB 3.5Å; S19-Q23 PolarHBondContact O-N 2.98Å; F20-Q23 PolarHBondContact O-N 3.35Å; Q21-Q23 VanDerWaalsContact C-N 3.29Å; Q21-Q23 PolarHBondContact O-N 3.38Å; Q23-Q27 WeakPolarHBondContact O-CB 3.37Å; Q23-Q27 VanDerWaalsContact O-CG 3.32Å; Q23-Q27 WeakPolarHBondContact O-CG 3.3Å; Q23-Q27 PolarHBondContact O-N 3.04Å
24	Q	44.9	Very low	45.5	Very low	80 Å²	80	94.2 Å²	94.2	37%	0.374	45%	0.447	S	S	.	.	H	α-helix	trans	-64.4	-43.7	170.6	-78.7	-155.7	10.6	0	0	112.2	F20 Q21 Q27 Q28	F20-Q24 HydrophobicContact CD1-CG 4.46Å; F20-Q24 HydrophobicContact CE1-CG 4.21Å; F20-Q24 HydrophobicContact CZ-CG 4.45Å; F20-Q24 WeakPolarHBondContact O-CG 3.5Å; F20-Q24 PolarHBondContact O-N 2.79Å; Q21-Q24 PolarHBondContact O-N 3.49Å; Q24-Q27 PolarHBondContact O-N 3.17Å; Q24-Q28 WeakPolarHBondContact O-CB 3.4Å; Q24-Q28 WeakPolarHBondContact O-CG 3.49Å; Q24-Q28 PolarHBondContact O-N 3.42Å
25	Q	54.5	Low	46.7	Very low	131 Å²	131	90.3 Å²	90.3	61%	0.612	43%	0.426	S	S	*	.	H	α-helix	trans	-63.5	-43.7	176.8	-78.3	-176.4	-6.6	0	0	111.3	Q21 R22 Q28 Q29	Q21-Q25 WeakPolarHBondContact O-CB 3.22Å; Q21-Q25 WeakPolarHBondContact O-CG 3.48Å; Q21-Q25 PolarHBondContact O-N 3.34Å; R22-Q25 PolarHBondContact O-N 2.75Å; Q25-Q28 PolarHBondContact O-N 2.89Å; Q25-Q29 VanDerWaalsContact O-CB 3.3Å; Q25-Q29 WeakPolarHBondContact O-CB 3.43Å; Q25-Q29 PolarHBondContact O-N 3.44Å
26	Q	60.1	Low	47.8	Very low	122 Å²	122	89 Å²	89	57%	0.57	42%	0.423	S	S	*	.	H	α-helix	trans	-64.8	-40.8	177.5	-165.7	175.5	15.6	0	0	111.4	R22 Q29 Q30	R22-Q26 VanDerWaalsContact O-CB 3.29Å; R22-Q26 WeakPolarHBondContact O-CB 3.31Å; R22-Q26 PolarHBondContact O-N 3.35Å; Q26-Q29 PolarHBondContact O-N 3.44Å; Q26-Q30 WeakPolarHBondContact O-CB 3.31Å; Q26-Q30 WeakPolarHBondContact O-CG 3.03Å; Q26-Q30 PolarHBondContact O-N 2.04Å
27	Q	53.3	Low	48.7	Very low	24 Å²	24	89.5 Å²	89.5	11%	0.112	42%	0.423	C	S	.	.	H	α-helix	trans	-67	-42	174.2	-76.1	-171.7	13.1	0	0	112.4	Q23 Q24 Q29 Q30 F31	Q23-Q27 WeakPolarHBondContact O-CB 3.37Å; Q23-Q27 VanDerWaalsContact O-CG 3.32Å; Q23-Q27 WeakPolarHBondContact O-CG 3.3Å; Q23-Q27 PolarHBondContact O-N 3.04Å; Q24-Q27 PolarHBondContact O-N 3.17Å; Q27-Q29 VanDerWaalsContact C-N 3.3Å; Q27-Q29 PolarHBondContact O-N 2.81Å; Q27-Q30 PolarHBondContact O-N 3.04Å; Q27-F31 WeakPolarHBondContact O-CB 3.41Å; Q27-F31 PolarHBondContact O-N 2.97Å
28	Q	52.2	Low	49.5	Very low	66 Å²	66	90 Å²	90	31%	0.308	42%	0.419	S	S	.	.	H	α-helix	trans	-62.7	-38.5	174.1	-80	-168.4	11.1	0	0	111.8	Q24 Q25 F31 R32	Q24-Q28 WeakPolarHBondContact O-CB 3.4Å; Q24-Q28 WeakPolarHBondContact O-CG 3.49Å; Q24-Q28 PolarHBondContact O-N 3.42Å; Q25-Q28 PolarHBondContact O-N 2.89Å; Q28-F31 PolarHBondContact O-N 2.89Å; Q28-R32 WeakPolarHBondContact O-CB 3.44Å; Q28-R32 WeakPolarHBondContact O-CG 3.17Å; Q28-R32 PolarHBondContact O-N 2.9Å
29	Q	59.6	Low	49.8	Very low	113 Å²	113	90 Å²	90	53%	0.528	42%	0.418	S	S	.	.	H	α-helix	trans	-68.8	-44.8	177.8	-172.9	173.4	-12.7	0	0	110.9	Q25 Q26 Q27 F31 R32 E33	Q25-Q29 VanDerWaalsContact O-CB 3.3Å; Q25-Q29 WeakPolarHBondContact O-CB 3.43Å; Q25-Q29 PolarHBondContact O-N 3.44Å; Q26-Q29 PolarHBondContact O-N 3.44Å; Q27-Q29 VanDerWaalsContact C-N 3.3Å; Q27-Q29 PolarHBondContact O-N 2.81Å; Q29-F31 VanDerWaalsContact C-N 3.31Å; Q29-F31 PolarHBondContact O-N 3.43Å; Q29-R32 PolarHBondContact O-N 3.06Å; Q29-E33 HydrophobicContact CG-CG 4.46Å; Q29-E33 WeakPolarHBondContact CG-OE1 3.04Å; Q29-E33 PolarHBondContact NE2-OE1 3.13Å; Q29-E33 WeakPolarHBondContact O-CB 3.18Å; Q29-E33 WeakPolarHBondContact O-CG 3.26Å; Q29-E33 PolarHBondContact O-N 3.25Å
30	Q	56	Low	49.9	Very low	114 Å²	114	90 Å²	90	53%	0.533	42%	0.419	S	S	.	.	H	α-helix	trans	-59.6	-41.1	173.4	-76.5	-179.5	-14.3	0	0	112.3	Q26 Q27 E33 C34	Q26-Q30 WeakPolarHBondContact O-CB 3.31Å; Q26-Q30 WeakPolarHBondContact O-CG 3.03Å; Q26-Q30 PolarHBondContact O-N 2.04Å; Q27-Q30 PolarHBondContact O-N 3.04Å; Q30-E33 PolarHBondContact O-N 3.44Å; Q30-C34 VanDerWaalsContact O-CB 3.32Å; Q30-C34 WeakPolarHBondContact O-CB 3.4Å; Q30-C34 PolarHBondContact O-N 3.24Å
31	F	50.1	Low	49.9	Very low	26 Å²	26	89.8 Å²	89.8	11%	0.114	42%	0.423	C	S	.	.	H	α-helix	trans	-66	-45.8	175.6	-177.1	-101.6	0	0	0	111.4	Q27 Q28 Q29 E33 C34 V35 C61 V65	Q27-F31 WeakPolarHBondContact O-CB 3.41Å; Q27-F31 PolarHBondContact O-N 2.97Å; Q28-F31 PolarHBondContact O-N 2.89Å; Q29-F31 VanDerWaalsContact C-N 3.31Å; Q29-F31 PolarHBondContact O-N 3.43Å; F31-E33 PolarHBondContact O-N 3.43Å; F31-C34 PolarHBondContact O-N 2.78Å; F31-V35 HydrophobicContact CD1-CG2 4Å; F31-V35 HydrophobicContact CD2-CG2 4.17Å; F31-V35 HydrophobicContact CE1-CG2 3.61Å; F31-V35 HydrophobicContact CE2-CG2 3.79Å; F31-V35 HydrophobicContact CG-CG2 4.28Å; F31-V35 HydrophobicContact CZ-CG2 3.49Å; F31-V35 VanDerWaalsContact CZ-CG2 3.49Å; F31-V35 WeakPolarHBondContact O-CB 3.33Å; F31-V35 VanDerWaalsContact O-CG2 3.3Å; F31-V35 WeakPolarHBondContact O-CG2 3.49Å; F31-V35 PolarHBondContact O-N 2.99Å; F31-C61 HydrophobicContact CD2-CB 4.33Å; F31-C61 HydrophobicContact CE2-CB 4.24Å; F31-V65 HydrophobicContact CD2-CG2 4.23Å
32	R	50.6	Low	49.6	Very low	154 Å²	154	85.6 Å²	85.6	58%	0.581	41%	0.407	S	S	*	.	H	α-helix	trans	-58.7	-45.6	174.1	-79.1	-174.9	-125.9	-137.5	1.2	111.2	Q28 Q29 C34 V35 T36	Q28-R32 WeakPolarHBondContact O-CB 3.44Å; Q28-R32 WeakPolarHBondContact O-CG 3.17Å; Q28-R32 PolarHBondContact O-N 2.9Å; Q29-R32 PolarHBondContact O-N 3.06Å; R32-C34 PolarHBondContact O-N 2.86Å; R32-V35 PolarHBondContact O-N 3.03Å; R32-T36 WeakPolarHBondContact O-CA 3.33Å; R32-T36 WeakPolarHBondContact O-CB 3.4Å; R32-T36 PolarHBondContact O-N 3.21Å; R32-T36 PolarHBondContact O-OG1 3.21Å
33	E	54.5	Low	48.8	Very low	111 Å²	111	81.1 Å²	81.1	52%	0.519	40%	0.402	S	S	.	.	H	α-helix	trans	-64	-40.6	176.7	-72.6	172.4	-169.1	0	0	111.9	Q29 Q30 F31 K37	Q29-E33 HydrophobicContact CG-CG 4.46Å; Q29-E33 WeakPolarHBondContact CG-OE1 3.04Å; Q29-E33 PolarHBondContact NE2-OE1 3.13Å; Q29-E33 WeakPolarHBondContact O-CB 3.18Å; Q29-E33 WeakPolarHBondContact O-CG 3.26Å; Q29-E33 PolarHBondContact O-N 3.25Å; Q30-E33 PolarHBondContact O-N 3.44Å; F31-E33 PolarHBondContact O-N 3.43Å; E33-K37 WeakPolarHBondContact O-CB 3.08Å; E33-K37 PolarHBondContact O-N 2.93Å
34	C	46	Very low	48.1	Very low	43 Å²	43	86.1 Å²	86.1	29%	0.291	42%	0.417	S	S	.	.	H	α-helix	trans	-61.3	-49.6	175	-159.7	0	0	0	0	110.9	Q30 F31 R32 R38 C61	Q30-C34 VanDerWaalsContact O-CB 3.32Å; Q30-C34 WeakPolarHBondContact O-CB 3.4Å; Q30-C34 PolarHBondContact O-N 3.24Å; F31-C34 PolarHBondContact O-N 2.78Å; R32-C34 PolarHBondContact O-N 2.86Å; C34-R38 WeakPolarHBondContact O-CB 3.42Å; C34-R38 VanDerWaalsContact O-CG 3.28Å; C34-R38 WeakPolarHBondContact O-CG 3.44Å; C34-R38 PolarHBondContact O-N 3.46Å; C34-C61 HydrophobicContact CB-CB 4.12Å; C34-C61 WeakPolarHBondContact CB-SG 3.45Å; C34-C61 WeakPolarHBondContact SG-CB 3.35Å; C34-C61 CovalentContact SG-SG 2.07Å; C34-C61 PolarHBondContact SG-SG 3.11Å
35	V	47.1	Very low	47.4	Very low	15 Å²	15	85 Å²	85	9%	0.091	42%	0.418	C	S	.	.	H	α-helix	trans	-69.4	-47.4	-178.9	172.3	0	0	0	0	110.5	F31 R32 K37 R38 L39	F31-V35 HydrophobicContact CD1-CG2 4Å; F31-V35 HydrophobicContact CD2-CG2 4.17Å; F31-V35 HydrophobicContact CE1-CG2 3.61Å; F31-V35 HydrophobicContact CE2-CG2 3.79Å; F31-V35 HydrophobicContact CG-CG2 4.28Å; F31-V35 HydrophobicContact CZ-CG2 3.49Å; F31-V35 VanDerWaalsContact CZ-CG2 3.49Å; F31-V35 WeakPolarHBondContact O-CB 3.33Å; F31-V35 VanDerWaalsContact O-CG2 3.3Å; F31-V35 WeakPolarHBondContact O-CG2 3.49Å; F31-V35 PolarHBondContact O-N 2.99Å; R32-V35 PolarHBondContact O-N 3.03Å; V35-K37 PolarHBondContact O-N 3.4Å; V35-R38 CarbonylContact O-C 3.55Å; V35-R38 PolarHBondContact O-N 3.12Å; V35-L39 HydrophobicContact CG1-CD1 3.5Å; V35-L39 HydrophobicContact CG1-CG 3.9Å; V35-L39 WeakPolarHBondContact O-CA 3.44Å; V35-L39 WeakPolarHBondContact O-CB 3.43Å; V35-L39 VanDerWaalsContact O-CG 3.24Å; V35-L39 WeakPolarHBondContact O-CG 3.44Å; V35-L39 PolarHBondContact O-N 2.03Å
36	T	50.1	Low	46.8	Very low	89 Å²	89	81.9 Å²	81.9	55%	0.546	40%	0.402	S	S	.	.	H	α-helix	trans	-63.7	-40.4	177.7	-62.4	0	0	0	0	111.7	R32 R38 L39 S40	R32-T36 WeakPolarHBondContact O-CA 3.33Å; R32-T36 WeakPolarHBondContact O-CB 3.4Å; R32-T36 PolarHBondContact O-N 3.21Å; R32-T36 PolarHBondContact O-OG1 3.21Å; T36-R38 VanDerWaalsContact C-N 3.34Å; T36-L39 PolarHBondContact O-N 2.84Å; T36-S40 WeakPolarHBondContact O-CB 3.11Å; T36-S40 PolarHBondContact O-N 3.46Å; T36-S40 PolarHBondContact O-OG 3.32Å
37	K	49.9	Very low	45.8	Very low	152 Å²	152	79.4 Å²	79.4	66%	0.661	39%	0.393	S	S	*	.	H	α-helix	trans	-66.6	-37.3	175	-171.1	176.2	-177.9	178	0	111.6	E33 V35 S40 V41	E33-K37 WeakPolarHBondContact O-CB 3.08Å; E33-K37 PolarHBondContact O-N 2.93Å; V35-K37 PolarHBondContact O-N 3.4Å; K37-S40 WeakPolarHBondContact CA-OG 2.85Å; K37-S40 PolarHBondContact O-OG 3.06Å; K37-V41 VanDerWaalsContact O-CG2 3.24Å; K37-V41 WeakPolarHBondContact O-CG2 3.08Å; K37-V41 PolarHBondContact O-N 3.1Å; K37-V41 VanDerWaalsContact O-N 3.16Å
38	R	45.3	Very low	45.4	Very low	102 Å²	102	82.8 Å²	82.8	39%	0.385	42%	0.415	S	S	.	.	H	α-helix	trans	-77.1	-34.7	176.6	-72.8	-180	179.5	-97.8	5.4	112.6	C34 V35 T36 V41 A42	C34-R38 WeakPolarHBondContact O-CB 3.42Å; C34-R38 VanDerWaalsContact O-CG 3.28Å; C34-R38 WeakPolarHBondContact O-CG 3.44Å; C34-R38 PolarHBondContact O-N 3.46Å; V35-R38 CarbonylContact O-C 3.55Å; V35-R38 PolarHBondContact O-N 3.12Å; T36-R38 VanDerWaalsContact C-N 3.34Å; R38-V41 PolarHBondContact O-N 3.26Å; R38-A42 WeakPolarHBondContact O-CB 3.46Å; R38-A42 PolarHBondContact O-N 3.48Å
39	L	43.6	Very low	45	Very low	77 Å²	77	86.4 Å²	86.4	40%	0.403	43%	0.432	S	S	.	.	H	α-helix	trans	-70.8	-29.9	172.1	-76.1	177.6	0	0	0	111.4	V35 T36 A42 A43	V35-L39 HydrophobicContact CG1-CD1 3.5Å; V35-L39 HydrophobicContact CG1-CG 3.9Å; V35-L39 WeakPolarHBondContact O-CA 3.44Å; V35-L39 WeakPolarHBondContact O-CB 3.43Å; V35-L39 VanDerWaalsContact O-CG 3.24Å; V35-L39 WeakPolarHBondContact O-CG 3.44Å; V35-L39 PolarHBondContact O-N 2.03Å; T36-L39 PolarHBondContact O-N 2.84Å; L39-A42 CarbonylContact O-C 3.51Å; L39-A42 WeakPolarHBondContact O-CB 3.5Å; L39-A42 PolarHBondContact O-N 3.17Å; L39-A43 VanDerWaalsContact O-CB 3.26Å; L39-A43 WeakPolarHBondContact O-CB 3.48Å; L39-A43 PolarHBondContact O-N 2.99Å
40	S	45	Very low	44	Very low	54 Å²	54	82.9 Å²	82.9	38%	0.378	42%	0.415	S	S	.	.	H	α-helix	trans	-74.4	-34.5	173.8	69.4	0	0	0	0	111.4	T36 K37 R44	T36-S40 WeakPolarHBondContact O-CB 3.11Å; T36-S40 PolarHBondContact O-N 3.46Å; T36-S40 PolarHBondContact O-OG 3.32Å; K37-S40 WeakPolarHBondContact CA-OG 2.85Å; K37-S40 PolarHBondContact O-OG 3.06Å; S40-R44 WeakPolarHBondContact O-CG 3.47Å; S40-R44 PolarHBondContact O-N 3.46Å
41	V	37.2	Very low	43.5	Very low	70 Å²	70	80.5 Å²	80.5	42%	0.424	41%	0.406	S	S	.	.	H	α-helix	trans	-68.2	-37.8	166.9	-178.9	0	0	0	0	110.3	K37 R38 R44 C45 F50	K37-V41 VanDerWaalsContact O-CG2 3.24Å; K37-V41 WeakPolarHBondContact O-CG2 3.08Å; K37-V41 PolarHBondContact O-N 3.1Å; K37-V41 VanDerWaalsContact O-N 3.16Å; R38-V41 PolarHBondContact O-N 3.26Å; V41-R44 WeakPolarHBondContact O-CB 3.33Å; V41-R44 PolarHBondContact O-N 2.96Å; V41-R44 VanDerWaalsContact O-N 3.15Å; V41-C45 PolarHBondContact O-N 2.87Å; V41-C45 VanDerWaalsContact O-N 3.07Å; V41-F50 HydrophobicContact CB-CZ 4.41Å; V41-F50 HydrophobicContact CG1-CE2 4.28Å; V41-F50 HydrophobicContact CG1-CZ 3.7Å
42	A	36	Very low	43.4	Very low	15 Å²	15	81.3 Å²	81.3	12%	0.124	42%	0.417	C	S	.	.	H	α-helix	trans	-66.2	-35.7	173.4	0	0	0	0	0	114.2	R38 L39 R44 C45 K46 F50 V54	R38-A42 WeakPolarHBondContact O-CB 3.46Å; R38-A42 PolarHBondContact O-N 3.48Å; L39-A42 CarbonylContact O-C 3.51Å; L39-A42 WeakPolarHBondContact O-CB 3.5Å; L39-A42 PolarHBondContact O-N 3.17Å; A42-R44 PolarHBondContact O-N 3.22Å; A42-C45 CarbonylContact O-C 3.43Å; A42-C45 PolarHBondContact O-N 3.4Å; A42-C45 VanDerWaalsContact O-O 3.1Å; A42-K46 WeakPolarHBondContact O-CG 3.31Å; A42-F50 HydrophobicContact CB-CD1 4.11Å; A42-F50 HydrophobicContact CB-CE1 3.57Å; A42-V54 HydrophobicContact CB-CG2 3.5Å; A42-V54 VanDerWaalsContact CB-CG2 3.5Å
43	A	37.4	Very low	43.3	Very low	59 Å²	59	78.8 Å²	78.8	49%	0.488	41%	0.412	S	S	.	.	H	α-helix	trans	-63.3	-27.7	174.5	0	0	0	0	0	110.7	L39	L39-A43 VanDerWaalsContact O-CB 3.26Å; L39-A43 WeakPolarHBondContact O-CB 3.48Å; L39-A43 PolarHBondContact O-N 2.99Å
44	R	36.2	Very low	42.9	Very low	192 Å²	192	74.2 Å²	74.2	73%	0.725	39%	0.392	S	S	*	.	H	α-helix	trans	-87.3	-25.5	177.7	-67	176.4	-173.5	-155.6	-1.4	113.8	S40 V41 A42	S40-R44 WeakPolarHBondContact O-CG 3.47Å; S40-R44 PolarHBondContact O-N 3.46Å; V41-R44 WeakPolarHBondContact O-CB 3.33Å; V41-R44 PolarHBondContact O-N 2.96Å; V41-R44 VanDerWaalsContact O-N 3.15Å; A42-R44 PolarHBondContact O-N 3.22Å
45	C	29.9	Very low	43.2	Very low	57 Å²	57	76.9 Å²	76.9	39%	0.385	40%	0.398	S	S	.	.			trans	-132	101.1	-174.9	-61.9	0	0	0	0	109.9	V41 A42 F50	V41-C45 PolarHBondContact O-N 2.87Å; V41-C45 VanDerWaalsContact O-N 3.07Å; A42-C45 CarbonylContact O-C 3.43Å; A42-C45 PolarHBondContact O-N 3.4Å; A42-C45 VanDerWaalsContact O-O 3.1Å; C45-F50 HydrophobicContact CB-CD1 4.3Å; C45-F50 HydrophobicContact CB-CD2 4Å; C45-F50 HydrophobicContact CB-CE2 4.19Å; C45-F50 HydrophobicContact CB-CG 4.05Å; C45-F50 HydrophobicContact CB-CZ 4.46Å; C45-F50 WeakPolarHBondContact O-CD1 3.36Å; C45-F50 VanDerWaalsContact O-CG 3.24Å; C45-F50 WeakPolarHBondContact O-CG 3Å
46	K	42.6	Very low	43.4	Very low	65 Å²	65	84 Å²	84	28%	0.283	42%	0.424	S	S	.	.			trans	-114.8	43.4	-171.5	-66.9	-174	171.7	-168.3	0	114.6	A42 E105	A42-K46 WeakPolarHBondContact O-CG 3.31Å; K46-E105 HydrophobicContact CD-CG 3.89Å; K46-E105 WeakPolarHBondContact CD-OE1 3.4Å; K46-E105 VanDerWaalsContact CE-OE1 3.29Å; K46-E105 WeakPolarHBondContact CE-OE1 3.47Å; K46-E105 IonicContact NZ-OE1 2.68Å; K46-E105 PolarHBondContact NZ-OE1 3.06Å
47	N	39.4	Very low	43.5	Very low	69 Å²	69	80 Å²	80	37%	0.369	40%	0.4	S	S	.	.			trans	-76.9	148	165.2	-172.3	-6.7	0	0	0	109.9	E49 F50 L51	N47-E49 PolarHBondContact O-N 3.01Å; N47-E49 PolarHBondContact OD1-N 3.28Å; N47-F50 HydrophobicContact CB-CB 4.35Å; N47-F50 CarbonylContact O-C 3.36Å; N47-F50 WeakPolarHBondContact O-CA 2.98Å; N47-F50 VanDerWaalsContact O-CB 3.25Å; N47-F50 WeakPolarHBondContact O-CB 3.34Å; N47-F50 PolarHBondContact O-N 3.45Å; N47-L51 PolarHBondContact O-N 3Å
48	T	44	Very low	43.7	Very low	95 Å²	95	74.1 Å²	74.1	58%	0.583	38%	0.376	S	S	*	.	H	α-helix	trans	-58.3	-32.1	172.5	54.9	0	0	0	0	112.6	F50 L51 A52 F101	T48-F50 VanDerWaalsContact C-N 3.29Å; T48-F50 PolarHBondContact O-N 3.29Å; T48-L51 WeakPolarHBondContact O-CB 3.49Å; T48-L51 PolarHBondContact O-N 3.23Å; T48-A52 PolarHBondContact O-N 2.96Å; T48-F101 HydrophobicContact CG2-CZ 4.44Å
49	E	44.1	Very low	44.2	Very low	142 Å²	142	71.8 Å²	71.8	66%	0.664	38%	0.379	S	S	*	.	H	α-helix	trans	-63	-35.9	169.4	-72.3	-174.7	150.2	0	0	112	N47 A52 E53	N47-E49 PolarHBondContact O-N 3.01Å; N47-E49 PolarHBondContact OD1-N 3.28Å; E49-A52 WeakPolarHBondContact O-CB 3.47Å; E49-A52 PolarHBondContact O-N 3.42Å; E49-E53 PolarHBondContact O-N 3.28Å; E49-E53 VanDerWaalsContact O-N 3.11Å
50	F	40.1	Very low	45	Very low	40 Å²	40	70.5 Å²	70.5	18%	0.175	38%	0.377	C	S	.	.	H	α-helix	trans	-71.6	-35.9	175.7	-164.3	-90.9	0	0	0	111.5	V41 A42 C45 N47 T48 A52 E53 V54	V41-F50 HydrophobicContact CB-CZ 4.41Å; V41-F50 HydrophobicContact CG1-CE2 4.28Å; V41-F50 HydrophobicContact CG1-CZ 3.7Å; A42-F50 HydrophobicContact CB-CD1 4.11Å; A42-F50 HydrophobicContact CB-CE1 3.57Å; C45-F50 HydrophobicContact CB-CD1 4.3Å; C45-F50 HydrophobicContact CB-CD2 4Å; C45-F50 HydrophobicContact CB-CE2 4.19Å; C45-F50 HydrophobicContact CB-CG 4.05Å; C45-F50 HydrophobicContact CB-CZ 4.46Å; C45-F50 WeakPolarHBondContact O-CD1 3.36Å; C45-F50 VanDerWaalsContact O-CG 3.24Å; C45-F50 WeakPolarHBondContact O-CG 3Å; N47-F50 HydrophobicContact CB-CB 4.35Å; N47-F50 CarbonylContact O-C 3.36Å; N47-F50 WeakPolarHBondContact O-CA 2.98Å; N47-F50 VanDerWaalsContact O-CB 3.25Å; N47-F50 WeakPolarHBondContact O-CB 3.34Å; N47-F50 PolarHBondContact O-N 3.45Å; T48-F50 VanDerWaalsContact C-N 3.29Å; T48-F50 PolarHBondContact O-N 3.29Å; F50-A52 PolarHBondContact O-N 2.95Å; F50-E53 HydrophobicContact CD2-CB 4.43Å; F50-E53 CarbonylContact O-C 3.36Å; F50-E53 WeakPolarHBondContact O-CA 3.46Å; F50-E53 WeakPolarHBondContact O-CB 3.48Å; F50-E53 PolarHBondContact O-N 3.26Å; F50-V54 HydrophobicContact CD1-CG2 3.46Å; F50-V54 VanDerWaalsContact CD1-CG2 3.46Å; F50-V54 HydrophobicContact CE1-CG2 3.17Å; F50-V54 HydrophobicContact CZ-CG2 4.14Å; F50-V54 WeakPolarHBondContact O-CG2 3.49Å; F50-V54 PolarHBondContact O-N 2.98Å
51	L	45.3	Very low	45.4	Very low	64 Å²	64	68.1 Å²	68.1	34%	0.335	36%	0.36	S	S	.	.	H	α-helix	trans	-57.4	-36.6	170.9	-174.9	67.5	0	0	0	111.1	N47 T48 V54 K55	N47-L51 PolarHBondContact O-N 3Å; T48-L51 WeakPolarHBondContact O-CB 3.49Å; T48-L51 PolarHBondContact O-N 3.23Å; L51-V54 PolarHBondContact O-N 3.25Å; L51-K55 HydrophobicContact CG-CD 4.37Å; L51-K55 VanDerWaalsContact O-CB 3.32Å; L51-K55 WeakPolarHBondContact O-CB 3.27Å; L51-K55 WeakPolarHBondContact O-CG 3.28Å; L51-K55 PolarHBondContact O-N 3.43Å
52	A	48.1	Very low	46.4	Very low	42 Å²	42	66.9 Å²	66.9	35%	0.347	35%	0.348	S	S	.	.	H	α-helix	trans	-67.8	-35.5	172.3	0	0	0	0	0	112.6	T48 E49 F50 R56	T48-A52 PolarHBondContact O-N 2.96Å; E49-A52 WeakPolarHBondContact O-CB 3.47Å; E49-A52 PolarHBondContact O-N 3.42Å; F50-A52 PolarHBondContact O-N 2.95Å; A52-R56 WeakPolarHBondContact O-CB 3.49Å; A52-R56 WeakPolarHBondContact O-CG 3.49Å; A52-R56 PolarHBondContact O-N 3.29Å; A52-R56 PolarHBondContact O-NE 3.17Å
53	E	46.7	Very low	47.6	Very low	101 Å²	101	71.8 Å²	71.8	47%	0.472	37%	0.367	S	S	.	.	H	α-helix	trans	-68.5	-38.7	171.2	-69.5	-160.6	156.5	0	0	113.5	E49 F50 R56 G57	E49-E53 PolarHBondContact O-N 3.28Å; E49-E53 VanDerWaalsContact O-N 3.11Å; F50-E53 HydrophobicContact CD2-CB 4.43Å; F50-E53 CarbonylContact O-C 3.36Å; F50-E53 WeakPolarHBondContact O-CA 3.46Å; F50-E53 WeakPolarHBondContact O-CB 3.48Å; F50-E53 PolarHBondContact O-N 3.26Å; E53-R56 CarbonylContact O-C 3.59Å; E53-R56 PolarHBondContact O-N 3.26Å; E53-G57 PolarHBondContact O-N 3.2Å
54	V	47.9	Very low	48.8	Very low	16 Å²	16	73.1 Å²	73.1	10%	0.097	37%	0.365	C	S	.	.	H	α-helix	trans	-63.9	-47.5	173.2	175.7	0	0	0	0	109.4	A42 F50 L51 R56 G57 V58	A42-V54 HydrophobicContact CB-CG2 3.5Å; A42-V54 VanDerWaalsContact CB-CG2 3.5Å; F50-V54 HydrophobicContact CD1-CG2 3.46Å; F50-V54 VanDerWaalsContact CD1-CG2 3.46Å; F50-V54 HydrophobicContact CE1-CG2 3.17Å; F50-V54 HydrophobicContact CZ-CG2 4.14Å; F50-V54 WeakPolarHBondContact O-CG2 3.49Å; F50-V54 PolarHBondContact O-N 2.98Å; L51-V54 PolarHBondContact O-N 3.25Å; V54-R56 VanDerWaalsContact C-N 3.32Å; V54-R56 PolarHBondContact O-N 3.49Å; V54-G57 CarbonylContact O-C 3.59Å; V54-G57 PolarHBondContact O-N 3.28Å; V54-G57 VanDerWaalsContact O-N 3.11Å; V54-V58 HydrophobicContact CG1-CG2 4.12Å; V54-V58 WeakPolarHBondContact O-CB 3.36Å; V54-V58 VanDerWaalsContact O-CG2 3.27Å; V54-V58 WeakPolarHBondContact O-CG2 3.38Å; V54-V58 PolarHBondContact O-N 3.3Å
55	K	50.8	Low	49.9	Very low	99 Å²	99	64.9 Å²	64.9	43%	0.43	34%	0.336	S	S	.	.	H	α-helix	trans	-56.6	-46.5	174.5	-76.3	172.8	179.8	177.6	0	111	L51 A59	L51-K55 HydrophobicContact CG-CD 4.37Å; L51-K55 VanDerWaalsContact O-CB 3.32Å; L51-K55 WeakPolarHBondContact O-CB 3.27Å; L51-K55 WeakPolarHBondContact O-CG 3.28Å; L51-K55 PolarHBondContact O-N 3.43Å; K55-A59 VanDerWaalsContact O-CB 3.26Å; K55-A59 WeakPolarHBondContact O-CB 3.38Å; K55-A59 PolarHBondContact O-N 2.96Å
56	R	52.4	Low	51.5	Low	165 Å²	165	63.3 Å²	63.3	62%	0.623	32%	0.324	S	S	*	.	H	α-helix	trans	-62.3	-41.1	174.2	-80.6	-174.9	-81.1	174.2	-3.5	112.5	A52 E53 V54 A59 S60	A52-R56 WeakPolarHBondContact O-CB 3.49Å; A52-R56 WeakPolarHBondContact O-CG 3.49Å; A52-R56 PolarHBondContact O-N 3.29Å; A52-R56 PolarHBondContact O-NE 3.17Å; E53-R56 CarbonylContact O-C 3.59Å; E53-R56 PolarHBondContact O-N 3.26Å; V54-R56 VanDerWaalsContact C-N 3.32Å; V54-R56 PolarHBondContact O-N 3.49Å; R56-A59 PolarHBondContact O-N 3.22Å; R56-S60 WeakPolarHBondContact O-CB 3.41Å; R56-S60 PolarHBondContact O-N 3.37Å
57	G	51.3	Low	52.5	Low	4 Å²	4	63.9 Å²	63.9	4%	0.041	33%	0.328	C	S	.	.	H	α-helix	trans	-68.1	-42.9	-179.8	0	0	0	0	0	113.2	E53 V54 S60 C61	E53-G57 PolarHBondContact O-N 3.2Å; V54-G57 CarbonylContact O-C 3.59Å; V54-G57 PolarHBondContact O-N 3.28Å; V54-G57 VanDerWaalsContact O-N 3.11Å; G57-S60 WeakPolarHBondContact O-CB 3.25Å; G57-S60 PolarHBondContact O-N 3.07Å; G57-C61 PolarHBondContact O-N 3.14Å; G57-C61 PolarHBondContact O-SG 2.99Å; G57-C61 VanDerWaalsContact O-SG 3.38Å
58	V	55.4	Low	53.6	Low	28 Å²	28	63.9 Å²	63.9	17%	0.17	33%	0.33	C	S	.	.	H	α-helix	trans	-64.7	-43.1	173.1	172.9	0	0	0	0	109.9	V54 S60 C61 Y62 L89	V54-V58 HydrophobicContact CG1-CG2 4.12Å; V54-V58 WeakPolarHBondContact O-CB 3.36Å; V54-V58 VanDerWaalsContact O-CG2 3.27Å; V54-V58 WeakPolarHBondContact O-CG2 3.38Å; V54-V58 PolarHBondContact O-N 3.3Å; V58-S60 VanDerWaalsContact C-N 3.28Å; V58-S60 PolarHBondContact O-N 2.94Å; V58-C61 PolarHBondContact O-N 3.45Å; V58-Y62 WeakPolarHBondContact O-CB 3.45Å; V58-Y62 PolarHBondContact O-N 3.45Å; V58-L89 HydrophobicContact CG1-CD2 3.86Å
59	A	55.9	Low	54.2	Low	54 Å²	54	60 Å²	60	45%	0.446	31%	0.305	S	S	.	.	H	α-helix	trans	-60.6	-36.9	173.5	0	0	0	0	0	112.3	K55 R56 Y62 F63	K55-A59 VanDerWaalsContact O-CB 3.26Å; K55-A59 WeakPolarHBondContact O-CB 3.38Å; K55-A59 PolarHBondContact O-N 2.96Å; R56-A59 PolarHBondContact O-N 3.22Å; A59-Y62 WeakPolarHBondContact O-CB 3.44Å; A59-Y62 PolarHBondContact O-N 3.26Å; A59-F63 WeakPolarHBondContact O-CB 3.47Å; A59-F63 PolarHBondContact O-N 3.24Å
60	S	59.2	Low	54.9	Low	50 Å²	50	59.4 Å²	59.4	35%	0.35	30%	0.297	S	S	.	.	H	α-helix	trans	-69.5	-44.7	173.7	179.2	0	0	0	0	112.7	R56 G57 V58 Y62 F63 N64	R56-S60 WeakPolarHBondContact O-CB 3.41Å; R56-S60 PolarHBondContact O-N 3.37Å; G57-S60 WeakPolarHBondContact O-CB 3.25Å; G57-S60 PolarHBondContact O-N 3.07Å; V58-S60 VanDerWaalsContact C-N 3.28Å; V58-S60 PolarHBondContact O-N 2.94Å; S60-Y62 PolarHBondContact O-N 3.45Å; S60-F63 PolarHBondContact O-N 2.86Å; S60-N64 PolarHBondContact O-N 2.96Å; S60-N64 PolarHBondContact O-ND2 3.33Å
61	C	52.9	Low	56.1	Low	4 Å²	4	67.2 Å²	67.2	3%	0.027	33%	0.326	C	S	.	.	H	α-helix	trans	-56.4	-42.5	172.5	-61.9	0	0	0	0	109.6	F31 C34 G57 V58 N64 V65	F31-C61 HydrophobicContact CD2-CB 4.33Å; F31-C61 HydrophobicContact CE2-CB 4.24Å; C34-C61 HydrophobicContact CB-CB 4.12Å; C34-C61 WeakPolarHBondContact CB-SG 3.45Å; C34-C61 WeakPolarHBondContact SG-CB 3.35Å; C34-C61 CovalentContact SG-SG 2.07Å; C34-C61 PolarHBondContact SG-SG 3.11Å; G57-C61 PolarHBondContact O-N 3.14Å; G57-C61 PolarHBondContact O-SG 2.99Å; G57-C61 VanDerWaalsContact O-SG 3.38Å; V58-C61 PolarHBondContact O-N 3.45Å; C61-N64 PolarHBondContact O-N 3.29Å; C61-V65 VanDerWaalsContact O-CG2 3.32Å; C61-V65 WeakPolarHBondContact O-CG2 3.38Å; C61-V65 PolarHBondContact O-N 3.17Å
62	Y	58.6	Low	56.9	Low	44 Å²	44	67.7 Å²	67.7	17%	0.173	33%	0.332	C	S	.	.	H	α-helix	trans	-63.2	-49	177.5	173.9	-110.9	0	0	0	113.2	V58 A59 S60 N64 V65 I66 H82 L89	V58-Y62 WeakPolarHBondContact O-CB 3.45Å; V58-Y62 PolarHBondContact O-N 3.45Å; A59-Y62 WeakPolarHBondContact O-CB 3.44Å; A59-Y62 PolarHBondContact O-N 3.26Å; S60-Y62 PolarHBondContact O-N 3.45Å; Y62-N64 VanDerWaalsContact C-N 3.27Å; Y62-N64 PolarHBondContact O-N 3Å; Y62-V65 PolarHBondContact O-N 3.35Å; Y62-I66 HydrophobicContact CD1-CD1 4.08Å; Y62-I66 HydrophobicContact CD2-CD1 3.99Å; Y62-I66 HydrophobicContact CD2-CG1 4.23Å; Y62-I66 HydrophobicContact CE1-CD1 3.43Å; Y62-I66 VanDerWaalsContact CE1-CD1 3.43Å; Y62-I66 HydrophobicContact CE1-CG1 4.5Å; Y62-I66 HydrophobicContact CE2-CD1 3.33Å; Y62-I66 HydrophobicContact CE2-CG1 3.94Å; Y62-I66 HydrophobicContact CG-CD1 4.35Å; Y62-I66 WeakPolarHBondContact O-CB 3.37Å; Y62-I66 PolarHBondContact O-N 3.15Å; Y62-I66 WeakPolarHBondContact OH-CD1 3.38Å; Y62-H82 PolarHBondContact OH-CE1 2.9Å; Y62-H82 VanDerWaalsContact OH-CE1 3.29Å; Y62-L89 HydrophobicContact CD1-CD1 4.12Å; Y62-L89 HydrophobicContact CD2-CD1 3.36Å; Y62-L89 HydrophobicContact CD2-CG 4.42Å; Y62-L89 HydrophobicContact CE1-CD1 4.16Å; Y62-L89 HydrophobicContact CE2-CD1 3.4Å; Y62-L89 HydrophobicContact CG-CD1 3.69Å
63	F	61.7	Low	57.1	Low	118 Å²	118	67 Å²	67	52%	0.518	32%	0.323	S	S	.	.	H	α-helix	trans	-59	-40.2	178.4	-172.7	-97.3	0	0	0	111.8	A59 S60 I66 Q67	A59-F63 WeakPolarHBondContact O-CB 3.47Å; A59-F63 PolarHBondContact O-N 3.24Å; S60-F63 PolarHBondContact O-N 2.86Å; F63-I66 PolarHBondContact O-N 3.47Å; F63-Q67 HydrophobicContact CD1-CG 4.14Å; F63-Q67 HydrophobicContact CE1-CG 3.76Å; F63-Q67 HydrophobicContact CZ-CG 4.03Å; F63-Q67 WeakPolarHBondContact O-CB 3.42Å; F63-Q67 WeakPolarHBondContact O-CG 3.38Å; F63-Q67 PolarHBondContact O-N 3.35Å
64	N	62	Low	57.6	Low	86 Å²	86	67.8 Å²	67.8	46%	0.46	34%	0.339	S	S	.	.	H	α-helix	trans	-66.9	-41.6	177.3	-72.5	-18.7	0	0	0	112.7	S60 C61 Y62 T68	S60-N64 PolarHBondContact O-N 2.96Å; S60-N64 PolarHBondContact O-ND2 3.33Å; C61-N64 PolarHBondContact O-N 3.29Å; Y62-N64 VanDerWaalsContact C-N 3.27Å; Y62-N64 PolarHBondContact O-N 3Å; N64-T68 WeakPolarHBondContact O-CB 3.14Å; N64-T68 PolarHBondContact O-N 3Å; N64-T68 PolarHBondContact O-OG1 3.22Å
65	V	60.6	Low	58	Low	19 Å²	19	70.7 Å²	70.7	12%	0.115	37%	0.373	C	S	.	.	H	α-helix	trans	-63.5	-45.6	175.4	171.2	0	0	0	0	110.4	F31 C61 Y62 T68 Y69 Y85	F31-V65 HydrophobicContact CD2-CG2 4.23Å; C61-V65 VanDerWaalsContact O-CG2 3.32Å; C61-V65 WeakPolarHBondContact O-CG2 3.38Å; C61-V65 PolarHBondContact O-N 3.17Å; Y62-V65 PolarHBondContact O-N 3.35Å; V65-T68 PolarHBondContact O-N 2.94Å; V65-Y69 VanDerWaalsContact O-CB 3.28Å; V65-Y69 WeakPolarHBondContact O-CB 3.25Å; V65-Y69 PolarHBondContact O-N 2.92Å; V65-Y85 HydrophobicContact CG1-CE1 4.15Å; V65-Y85 HydrophobicContact CG1-CE2 4.33Å
66	I	62.9	Low	58.1	Low	25 Å²	25	69.8 Å²	69.8	13%	0.128	38%	0.384	C	S	.	.	H	α-helix	trans	-62.9	-46.1	177.5	-77.9	-170	0	0	0	112.3	Y62 F63 T68 Y69 Y70	Y62-I66 HydrophobicContact CD1-CD1 4.08Å; Y62-I66 HydrophobicContact CD2-CD1 3.99Å; Y62-I66 HydrophobicContact CD2-CG1 4.23Å; Y62-I66 HydrophobicContact CE1-CD1 3.43Å; Y62-I66 VanDerWaalsContact CE1-CD1 3.43Å; Y62-I66 HydrophobicContact CE1-CG1 4.5Å; Y62-I66 HydrophobicContact CE2-CD1 3.33Å; Y62-I66 HydrophobicContact CE2-CG1 3.94Å; Y62-I66 HydrophobicContact CG-CD1 4.35Å; Y62-I66 WeakPolarHBondContact O-CB 3.37Å; Y62-I66 PolarHBondContact O-N 3.15Å; Y62-I66 WeakPolarHBondContact OH-CD1 3.38Å; F63-I66 PolarHBondContact O-N 3.47Å; I66-T68 VanDerWaalsContact C-N 3.31Å; I66-T68 PolarHBondContact O-N 2.91Å; I66-Y69 WeakPolarHBondContact O-CB 3.25Å; I66-Y69 PolarHBondContact O-N 3.15Å; I66-Y70 HydrophobicContact CG2-CD2 3.47Å; I66-Y70 VanDerWaalsContact CG2-CD2 3.47Å; I66-Y70 HydrophobicContact CG2-CE2 3.5Å; I66-Y70 VanDerWaalsContact CG2-CE2 3.5Å; I66-Y70 WeakPolarHBondContact O-CD2 3.33Å; I66-Y70 PolarHBondContact O-N 3.47Å
67	Q	63.5	Low	58.3	Low	77 Å²	77	65.5 Å²	65.5	36%	0.36	38%	0.376	S	S	.	.	H	α-helix	trans	-61.5	-42.7	177.5	-84.2	-160	-30.8	0	0	111.6	F63 Y69 Y70 R71	F63-Q67 HydrophobicContact CD1-CG 4.14Å; F63-Q67 HydrophobicContact CE1-CG 3.76Å; F63-Q67 HydrophobicContact CZ-CG 4.03Å; F63-Q67 WeakPolarHBondContact O-CB 3.42Å; F63-Q67 WeakPolarHBondContact O-CG 3.38Å; F63-Q67 PolarHBondContact O-N 3.35Å; Q67-Y69 VanDerWaalsContact C-N 3.29Å; Q67-Y69 PolarHBondContact O-N 3.33Å; Q67-Y70 PolarHBondContact O-N 3.36Å; Q67-R71 WeakPolarHBondContact O-CB 3.44Å; Q67-R71 WeakPolarHBondContact O-CG 3.41Å; Q67-R71 PolarHBondContact O-N 2.75Å
68	T	62.6	Low	58.4	Low	68 Å²	68	65.8 Å²	65.8	42%	0.417	38%	0.378	S	S	.	.	H	α-helix	trans	-60	-46	175.7	-56.9	0	0	0	0	109.9	N64 V65 I66 R71 T72	N64-T68 WeakPolarHBondContact O-CB 3.14Å; N64-T68 PolarHBondContact O-N 3Å; N64-T68 PolarHBondContact O-OG1 3.22Å; V65-T68 PolarHBondContact O-N 2.94Å; I66-T68 VanDerWaalsContact C-N 3.31Å; I66-T68 PolarHBondContact O-N 2.91Å; T68-R71 PolarHBondContact O-N 3.48Å; T68-T72 WeakPolarHBondContact O-CG2 2.94Å; T68-T72 PolarHBondContact O-N 3Å; T68-T72 PolarHBondContact O-OG1 2.97Å
69	Y	55.5	Low	58.4	Low	15 Å²	15	71 Å²	71	6%	0.059	40%	0.402	C	S	.	.	H	α-helix	trans	-59.9	-50.6	179	179.3	-90.5	0	0	0	112.7	V65 I66 Q67 R71 T72 T73 T77 A78 V81	V65-Y69 VanDerWaalsContact O-CB 3.28Å; V65-Y69 WeakPolarHBondContact O-CB 3.25Å; V65-Y69 PolarHBondContact O-N 2.92Å; I66-Y69 WeakPolarHBondContact O-CB 3.25Å; I66-Y69 PolarHBondContact O-N 3.15Å; Q67-Y69 VanDerWaalsContact C-N 3.29Å; Q67-Y69 PolarHBondContact O-N 3.33Å; Y69-R71 VanDerWaalsContact C-N 3.29Å; Y69-R71 PolarHBondContact O-N 3.1Å; Y69-T72 WeakPolarHBondContact CA-OG1 3.37Å; Y69-T72 PolarHBondContact O-N 2.99Å; Y69-T72 VanDerWaalsContact O-N 3.07Å; Y69-T72 PolarHBondContact O-OG1 2.79Å; Y69-T73 WeakPolarHBondContact CD1-OG1 3.24Å; Y69-T73 HydrophobicContact CD2-CG2 4.39Å; Y69-T73 WeakPolarHBondContact CE1-OG1 3.14Å; Y69-T73 HydrophobicContact CE2-CG2 3.83Å; Y69-T73 PolarHBondContact O-N 3.33Å; Y69-T73 PolarHBondContact O-OG1 3.15Å; Y69-T77 PolarHBondContact OH-O 3.3Å; Y69-T77 PolarHBondContact OH-OG1 3.29Å; Y69-A78 VanDerWaalsContact CE1-CA 3.46Å; Y69-A78 HydrophobicContact CE1-CB 3.61Å; Y69-A78 WeakPolarHBondContact OH-CA 3.47Å; Y69-A78 PolarHBondContact OH-N 3.38Å; Y69-V81 HydrophobicContact CD2-CG1 4.14Å; Y69-V81 HydrophobicContact CE1-CB 4.43Å; Y69-V81 HydrophobicContact CE2-CB 4.03Å; Y69-V81 HydrophobicContact CE2-CG1 3.77Å; Y69-V81 HydrophobicContact CE2-CG2 4Å
70	Y	60.4	Low	58.6	Low	128 Å²	128	74.7 Å²	74.7	50%	0.502	41%	0.414	S	S	.	.	H	α-helix	trans	-64.8	-29.8	177	-82.7	-67.5	0	0	0	113.2	I66 Q67 A78	I66-Y70 HydrophobicContact CG2-CD2 3.47Å; I66-Y70 VanDerWaalsContact CG2-CD2 3.47Å; I66-Y70 HydrophobicContact CG2-CE2 3.5Å; I66-Y70 VanDerWaalsContact CG2-CE2 3.5Å; I66-Y70 WeakPolarHBondContact O-CD2 3.33Å; I66-Y70 PolarHBondContact O-N 3.47Å; Q67-Y70 PolarHBondContact O-N 3.36Å; Y70-A78 HydrophobicContact CD1-CB 4.46Å; Y70-A78 HydrophobicContact CE1-CB 3.89Å
71	R	64.6	Low	58.6	Low	205 Å²	205	73.4 Å²	73.4	77%	0.774	41%	0.405	S	S	*	.	H	α-helix	trans	-69.1	-34.7	171.6	-76.6	179.3	-175.9	175.6	3.8	112.2	Q67 T68 Y69	Q67-R71 WeakPolarHBondContact O-CB 3.44Å; Q67-R71 WeakPolarHBondContact O-CG 3.41Å; Q67-R71 PolarHBondContact O-N 2.75Å; T68-R71 PolarHBondContact O-N 3.48Å; Y69-R71 VanDerWaalsContact C-N 3.29Å; Y69-R71 PolarHBondContact O-N 3.1Å
72	T	61.6	Low	59	Low	74 Å²	74	76.5 Å²	76.5	45%	0.454	42%	0.418	S	S	.	.	H	α-helix	trans	-91.4	-21.7	-175.6	51.9	0	0	0	0	114.7	T68 Y69	T68-T72 WeakPolarHBondContact O-CG2 2.94Å; T68-T72 PolarHBondContact O-N 3Å; T68-T72 PolarHBondContact O-OG1 2.97Å; Y69-T72 WeakPolarHBondContact CA-OG1 3.37Å; Y69-T72 PolarHBondContact O-N 2.99Å; Y69-T72 VanDerWaalsContact O-N 3.07Å; Y69-T72 PolarHBondContact O-OG1 2.79Å
73	T	52.3	Low	59.3	Low	27 Å²	27	83 Å²	83	17%	0.166	44%	0.443	C	S	.	.	S	Bend	trans	-117	120.9	-176	49.6	0	0	0	0	112.1	Y69 G75	Y69-T73 WeakPolarHBondContact CD1-OG1 3.24Å; Y69-T73 HydrophobicContact CD2-CG2 4.39Å; Y69-T73 WeakPolarHBondContact CE1-OG1 3.14Å; Y69-T73 HydrophobicContact CE2-CG2 3.83Å; Y69-T73 PolarHBondContact O-N 3.33Å; Y69-T73 PolarHBondContact O-OG1 3.15Å; T73-G75 PolarHBondContact O-N 3.07Å
74	S	57.5	Low	59.4	Low	117 Å²	117	82.8 Å²	82.8	82%	0.818	44%	0.442	S	S	*	.			trans	-77.7	104.3	172.4	55.3	0	0	0	0	110.8	A76	S74-A76 PolarHBondContact O-N 3.46Å
75	G	56.6	Low	59.5	Low	78 Å²	78	80 Å²	80	80%	0.804	43%	0.425	S	S	*	.	S	Bend	trans	82.2	-31.8	139.4	0	0	0	0	0	120.9	T73	T73-G75 PolarHBondContact O-N 3.07Å
76	A	52.8	Low	59.8	Low	80 Å²	80	81.8 Å²	81.8	66%	0.661	44%	0.436	S	S	*	.	S	Bend	trans	-124.2	-41.9	-167.6	0	0	0	0	0	115.9	S74 A78	S74-A76 PolarHBondContact O-N 3.46Å; A76-A78 PolarHBondContact O-N 2.69Å
77	T	55.6	Low	59.8	Low	75 Å²	75	88.2 Å²	88.2	46%	0.46	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-2.5	180	52.1	0	0	0	0	113.4	Y69 M79	Y69-T77 PolarHBondContact OH-O 3.3Å; Y69-T77 PolarHBondContact OH-OG1 3.29Å; T77-M79 PolarHBondContact O-N 2.86Å
78	A	54.4	Low	59.9	Low	9 Å²	9	86.8 Å²	86.8	7%	0.074	46%	0.456	C	S	.	.	H	α-helix	trans	-67.5	-31.8	-174.1	0	0	0	0	0	115	Y69 Y70 A76 H82	Y69-A78 VanDerWaalsContact CE1-CA 3.46Å; Y69-A78 HydrophobicContact CE1-CB 3.61Å; Y69-A78 WeakPolarHBondContact OH-CA 3.47Å; Y69-A78 PolarHBondContact OH-N 3.38Å; Y70-A78 HydrophobicContact CD1-CB 4.46Å; Y70-A78 HydrophobicContact CE1-CB 3.89Å; A76-A78 PolarHBondContact O-N 2.69Å; A78-H82 VanDerWaalsContact O-CB 3.26Å; A78-H82 WeakPolarHBondContact O-CB 3.46Å; A78-H82 PolarHBondContact O-N 2.74Å
79	M	54.9	Low	59.6	Low	139 Å²	139	85 Å²	85	69%	0.685	44%	0.444	S	S	*	.	H	α-helix	trans	-73.3	-43.1	-176.7	-61.7	-161.9	-49.1	0	0	112.3	T77 V81 H82 W83	T77-M79 PolarHBondContact O-N 2.86Å; M79-V81 VanDerWaalsContact C-N 3.32Å; M79-V81 PolarHBondContact O-N 3.16Å; M79-H82 PolarHBondContact O-N 2.75Å; M79-W83 PolarHBondContact O-N 3.15Å
80	D	60.2	Low	59.9	Low	130 Å²	130	86.9 Å²	86.9	70%	0.695	46%	0.459	S	S	*	.	H	α-helix	trans	-63.7	-39.8	179.5	-77.2	-37.6	0	0	0	111.8	F84	D80-F84 PolarHBondContact O-N 2.78Å; D80-F84 VanDerWaalsContact O-N 3.13Å
81	V	59.5	Low	59.9	Low	24 Å²	24	83.1 Å²	83.1	15%	0.145	45%	0.449	C	S	.	.	H	α-helix	trans	-70.2	-38.7	177.1	177.8	0	0	0	0	111.1	Y69 M79 W83 F84 Y85	Y69-V81 HydrophobicContact CD2-CG1 4.14Å; Y69-V81 HydrophobicContact CE1-CB 4.43Å; Y69-V81 HydrophobicContact CE2-CB 4.03Å; Y69-V81 HydrophobicContact CE2-CG1 3.77Å; Y69-V81 HydrophobicContact CE2-CG2 4Å; M79-V81 VanDerWaalsContact C-N 3.32Å; M79-V81 PolarHBondContact O-N 3.16Å; V81-W83 PolarHBondContact O-N 2.91Å; V81-F84 PolarHBondContact O-N 3.19Å; V81-Y85 HydrophobicContact CG1-CD2 3.63Å; V81-Y85 HydrophobicContact CG1-CE2 3.35Å; V81-Y85 WeakPolarHBondContact O-CD2 3.43Å; V81-Y85 PolarHBondContact O-N 3.21Å
82	H	62.1	Low	59.5	Low	68 Å²	68	76.4 Å²	76.4	32%	0.315	43%	0.428	S	S	.	.	H	α-helix	trans	-59.9	-45.6	176.4	-171.3	63	0	0	0	111.8	Y62 A78 M79 Y85 V86	Y62-H82 PolarHBondContact OH-CE1 2.9Å; Y62-H82 VanDerWaalsContact OH-CE1 3.29Å; A78-H82 VanDerWaalsContact O-CB 3.26Å; A78-H82 WeakPolarHBondContact O-CB 3.46Å; A78-H82 PolarHBondContact O-N 2.74Å; M79-H82 PolarHBondContact O-N 2.75Å; H82-Y85 PolarHBondContact O-N 2.81Å; H82-V86 WeakPolarHBondContact O-CG2 3.39Å; H82-V86 PolarHBondContact O-N 3.46Å
83	W	64.4	Low	59.2	Low	181 Å²	181	77 Å²	77	69%	0.686	43%	0.428	S	S	*	.	H	α-helix	trans	-62	-42.7	175.9	-80.8	112.3	0	0	0	112.8	M79 V81 Y85 V86 Y87	M79-W83 PolarHBondContact O-N 3.15Å; V81-W83 PolarHBondContact O-N 2.91Å; W83-Y85 VanDerWaalsContact C-N 3.31Å; W83-Y85 PolarHBondContact O-N 3.48Å; W83-V86 PolarHBondContact O-N 3.24Å; W83-Y87 WeakPolarHBondContact O-CB 3.46Å; W83-Y87 PolarHBondContact O-N 3.25Å
84	F	64	Low	59.2	Low	114 Å²	114	79.1 Å²	79.1	50%	0.5	44%	0.441	S	S	.	.	H	α-helix	trans	-57.2	-44.9	174.9	-179.1	-97.4	0	0	0	111.7	D80 V81 Y87 V88	D80-F84 PolarHBondContact O-N 2.78Å; D80-F84 VanDerWaalsContact O-N 3.13Å; V81-F84 PolarHBondContact O-N 3.19Å; F84-Y87 PolarHBondContact O-N 3.29Å; F84-V88 HydrophobicContact CD1-CG2 4.32Å; F84-V88 HydrophobicContact CE1-CG2 3.92Å; F84-V88 HydrophobicContact CE2-CG2 4.43Å; F84-V88 HydrophobicContact CZ-CG2 3.99Å; F84-V88 WeakPolarHBondContact O-CG2 3.32Å; F84-V88 PolarHBondContact O-N 2.91Å
85	Y	62.7	Low	58.8	Low	28 Å²	28	78.3 Å²	78.3	11%	0.11	43%	0.427	C	S	.	.	H	α-helix	trans	-70	-39.1	178.9	-77	-71.2	0	0	0	113.6	V65 V81 H82 W83 Y87 V88 L89	V65-Y85 HydrophobicContact CG1-CE1 4.15Å; V65-Y85 HydrophobicContact CG1-CE2 4.33Å; V81-Y85 HydrophobicContact CG1-CD2 3.63Å; V81-Y85 HydrophobicContact CG1-CE2 3.35Å; V81-Y85 WeakPolarHBondContact O-CD2 3.43Å; V81-Y85 PolarHBondContact O-N 3.21Å; H82-Y85 PolarHBondContact O-N 2.81Å; W83-Y85 VanDerWaalsContact C-N 3.31Å; W83-Y85 PolarHBondContact O-N 3.48Å; Y85-Y87 VanDerWaalsContact C-N 3.27Å; Y85-Y87 PolarHBondContact O-N 2.87Å; Y85-V88 PolarHBondContact O-N 3.41Å; Y85-L89 WeakPolarHBondContact O-CB 3.28Å; Y85-L89 WeakPolarHBondContact O-CG 3.24Å; Y85-L89 PolarHBondContact O-N 2.86Å
86	V	67.3	Low	58.5	Low	55 Å²	55	77.9 Å²	77.9	33%	0.333	41%	0.408	S	S	.	.	H	α-helix	trans	-59.6	-42.3	174.6	171.8	0	0	0	0	110.2	H82 W83 L89 S90	H82-V86 WeakPolarHBondContact O-CG2 3.39Å; H82-V86 PolarHBondContact O-N 3.46Å; W83-V86 PolarHBondContact O-N 3.24Å; V86-L89 PolarHBondContact O-N 3.46Å; V86-S90 PolarHBondContact O-N 2.92Å; V86-S90 PolarHBondContact O-OG 3.38Å
87	Y	62.5	Low	58.1	Low	160 Å²	160	78.2 Å²	78.2	63%	0.627	40%	0.402	S	S	*	.	H	α-helix	trans	-65.4	-44.1	178.1	-177.3	-97.5	0	0	0	113.1	W83 F84 Y85 L89 S90 T91	W83-Y87 WeakPolarHBondContact O-CB 3.46Å; W83-Y87 PolarHBondContact O-N 3.25Å; F84-Y87 PolarHBondContact O-N 3.29Å; Y85-Y87 VanDerWaalsContact C-N 3.27Å; Y85-Y87 PolarHBondContact O-N 2.87Å; Y87-L89 VanDerWaalsContact C-N 3.29Å; Y87-L89 PolarHBondContact O-N 2.72Å; Y87-S90 WeakPolarHBondContact CA-OG 3.21Å; Y87-S90 PolarHBondContact O-N 2.86Å; Y87-S90 PolarHBondContact O-OG 3.11Å; Y87-T91 WeakPolarHBondContact O-CB 3.48Å; Y87-T91 PolarHBondContact O-N 3.42Å; Y87-T91 PolarHBondContact O-OG1 3.35Å
88	V	65.8	Low	57.4	Low	47 Å²	47	81 Å²	81	29%	0.285	41%	0.414	S	S	.	.	H	α-helix	trans	-62.3	-39.7	175.9	171.2	0	0	0	0	110.6	F84 Y85 T91 L92	F84-V88 HydrophobicContact CD1-CG2 4.32Å; F84-V88 HydrophobicContact CE1-CG2 3.92Å; F84-V88 HydrophobicContact CE2-CG2 4.43Å; F84-V88 HydrophobicContact CZ-CG2 3.99Å; F84-V88 WeakPolarHBondContact O-CG2 3.32Å; F84-V88 PolarHBondContact O-N 2.91Å; Y85-V88 PolarHBondContact O-N 3.41Å; V88-T91 PolarHBondContact O-N 2.76Å; V88-L92 HydrophobicContact CG1-CD1 3.92Å; V88-L92 WeakPolarHBondContact O-CB 3.26Å; V88-L92 WeakPolarHBondContact O-CG 3.04Å; V88-L92 PolarHBondContact O-N 2.07Å
89	L	57.4	Low	56.8	Low	32 Å²	32	83.6 Å²	83.6	17%	0.168	44%	0.435	C	S	.	.	H	α-helix	trans	-69.2	-43.8	178	-77.9	173.8	0	0	0	113.3	V58 Y62 Y85 V86 Y87 T91 L92 L93	V58-L89 HydrophobicContact CG1-CD2 3.86Å; Y62-L89 HydrophobicContact CD1-CD1 4.12Å; Y62-L89 HydrophobicContact CD2-CD1 3.36Å; Y62-L89 HydrophobicContact CD2-CG 4.42Å; Y62-L89 HydrophobicContact CE1-CD1 4.16Å; Y62-L89 HydrophobicContact CE2-CD1 3.4Å; Y62-L89 HydrophobicContact CG-CD1 3.69Å; Y85-L89 WeakPolarHBondContact O-CB 3.28Å; Y85-L89 WeakPolarHBondContact O-CG 3.24Å; Y85-L89 PolarHBondContact O-N 2.86Å; V86-L89 PolarHBondContact O-N 3.46Å; Y87-L89 VanDerWaalsContact C-N 3.29Å; Y87-L89 PolarHBondContact O-N 2.72Å; L89-T91 PolarHBondContact O-N 2.68Å; L89-L92 PolarHBondContact O-N 2.73Å; L89-L93 WeakPolarHBondContact O-CB 3.1Å; L89-L93 PolarHBondContact O-N 2.85Å
90	S	62.4	Low	56	Low	53 Å²	53	79.2 Å²	79.2	37%	0.371	43%	0.425	S	S	.	.	H	α-helix	trans	-61.9	-39.1	175.3	59	0	0	0	0	110.6	V86 Y87 L93 V94	V86-S90 PolarHBondContact O-N 2.92Å; V86-S90 PolarHBondContact O-OG 3.38Å; Y87-S90 WeakPolarHBondContact CA-OG 3.21Å; Y87-S90 PolarHBondContact O-N 2.86Å; Y87-S90 PolarHBondContact O-OG 3.11Å; S90-L93 PolarHBondContact O-N 3.27Å; S90-V94 WeakPolarHBondContact O-CB 3.47Å; S90-V94 WeakPolarHBondContact O-CG2 3.46Å; S90-V94 PolarHBondContact O-N 2.67Å
91	T	58.8	Low	55	Low	50 Å²	50	79 Å²	79	31%	0.307	42%	0.418	S	S	.	.	H	α-helix	trans	-66.8	-42.8	177.1	-50.1	0	0	0	0	111.3	Y87 V88 L89 V94 I95	Y87-T91 WeakPolarHBondContact O-CB 3.48Å; Y87-T91 PolarHBondContact O-N 3.42Å; Y87-T91 PolarHBondContact O-OG1 3.35Å; V88-T91 PolarHBondContact O-N 2.76Å; L89-T91 PolarHBondContact O-N 2.68Å; T91-V94 PolarHBondContact O-N 2.69Å; T91-I95 HydrophobicContact CG2-CD1 3.92Å; T91-I95 HydrophobicContact CG2-CG1 4.46Å; T91-I95 WeakPolarHBondContact O-CB 3.34Å; T91-I95 WeakPolarHBondContact O-CG1 3.45Å; T91-I95 PolarHBondContact O-N 3.48Å
92	L	57.7	Low	54.3	Low	63 Å²	63	82.5 Å²	82.5	33%	0.33	44%	0.437	S	S	.	.	H	α-helix	trans	-64	-40.4	174.3	-83.3	161.3	0	0	0	112.5	V88 L89 I95 T96	V88-L92 HydrophobicContact CG1-CD1 3.92Å; V88-L92 WeakPolarHBondContact O-CB 3.26Å; V88-L92 WeakPolarHBondContact O-CG 3.04Å; V88-L92 PolarHBondContact O-N 2.07Å; L89-L92 PolarHBondContact O-N 2.73Å; L92-I95 PolarHBondContact O-N 3.02Å; L92-T96 WeakPolarHBondContact O-CB 3.37Å; L92-T96 WeakPolarHBondContact O-CG2 3.2Å; L92-T96 PolarHBondContact O-N 3.22Å; L92-T96 PolarHBondContact O-OG1 3.24Å
93	L	54.5	Low	53.7	Low	86 Å²	86	82.8 Å²	82.8	45%	0.45	44%	0.437	S	S	.	.	H	α-helix	trans	-62.4	-46.2	174.2	-103	159.6	0	0	0	110.9	L89 S90 T96 T97	L89-L93 WeakPolarHBondContact O-CB 3.1Å; L89-L93 PolarHBondContact O-N 2.85Å; S90-L93 PolarHBondContact O-N 3.27Å; L93-T96 WeakPolarHBondContact CA-OG1 3.32Å; L93-T96 PolarHBondContact O-N 3.38Å; L93-T96 PolarHBondContact O-OG1 2.86Å; L93-T97 WeakPolarHBondContact O-CG2 3.29Å; L93-T97 PolarHBondContact O-N 2.81Å; L93-T97 PolarHBondContact O-OG1 3.49Å
94	V	51.7	Low	53.1	Low	72 Å²	72	77.7 Å²	77.7	44%	0.436	42%	0.423	S	S	.	.	H	α-helix	trans	-62.7	-45	177	169.2	0	0	0	0	110.9	S90 T91 T96 T97 L98	S90-V94 WeakPolarHBondContact O-CB 3.47Å; S90-V94 WeakPolarHBondContact O-CG2 3.46Å; S90-V94 PolarHBondContact O-N 2.67Å; T91-V94 PolarHBondContact O-N 2.69Å; V94-T96 VanDerWaalsContact C-N 3.33Å; V94-T96 PolarHBondContact O-N 3.48Å; V94-T97 WeakPolarHBondContact CA-OG1 3.18Å; V94-T97 PolarHBondContact O-N 2.86Å; V94-T97 PolarHBondContact O-OG1 2.9Å; V94-L98 HydrophobicContact CG1-CD1 3.38Å; V94-L98 HydrophobicContact CG1-CG 3.97Å; V94-L98 WeakPolarHBondContact O-CB 3.12Å; V94-L98 VanDerWaalsContact O-CG 3.3Å; V94-L98 WeakPolarHBondContact O-CG 3.34Å; V94-L98 PolarHBondContact O-N 3.04Å
95	I	50.6	Low	52.4	Low	101 Å²	101	74.3 Å²	74.3	52%	0.518	41%	0.409	S	S	.	.	H	α-helix	trans	-60.8	-42.3	176.1	-69.9	165.1	0	0	0	110.8	T91 L92 A99	T91-I95 HydrophobicContact CG2-CD1 3.92Å; T91-I95 HydrophobicContact CG2-CG1 4.46Å; T91-I95 WeakPolarHBondContact O-CB 3.34Å; T91-I95 WeakPolarHBondContact O-CG1 3.45Å; T91-I95 PolarHBondContact O-N 3.48Å; L92-I95 PolarHBondContact O-N 3.02Å; I95-A99 WeakPolarHBondContact O-CB 3.29Å; I95-A99 PolarHBondContact O-N 2.93Å
96	T	49.2	Very low	51.9	Low	68 Å²	68	73.5 Å²	73.5	42%	0.417	41%	0.408	S	S	.	.	H	α-helix	trans	-74	-24.2	179.5	49.3	0	0	0	0	113.6	L92 L93 V94	L92-T96 WeakPolarHBondContact O-CB 3.37Å; L92-T96 WeakPolarHBondContact O-CG2 3.2Å; L92-T96 PolarHBondContact O-N 3.22Å; L92-T96 PolarHBondContact O-OG1 3.24Å; L93-T96 WeakPolarHBondContact CA-OG1 3.32Å; L93-T96 PolarHBondContact O-N 3.38Å; L93-T96 PolarHBondContact O-OG1 2.86Å; V94-T96 VanDerWaalsContact C-N 3.33Å; V94-T96 PolarHBondContact O-N 3.48Å
97	T	45.3	Very low	51.3	Low	87 Å²	87	71.4 Å²	71.4	53%	0.534	40%	0.395	S	S	.	.	H	α-helix	trans	-87.2	-29.6	172.6	54.1	0	0	0	0	113.7	L93 V94	L93-T97 WeakPolarHBondContact O-CG2 3.29Å; L93-T97 PolarHBondContact O-N 2.81Å; L93-T97 PolarHBondContact O-OG1 3.49Å; V94-T97 WeakPolarHBondContact CA-OG1 3.18Å; V94-T97 PolarHBondContact O-N 2.86Å; V94-T97 PolarHBondContact O-OG1 2.9Å
98	L	41	Very low	50.9	Low	135 Å²	135	68.5 Å²	68.5	71%	0.707	39%	0.387	S	S	*	.	H	α-helix	trans	-90	-19.6	179.5	-71.9	-179.9	0	0	0	113.1	V94 G100	V94-L98 HydrophobicContact CG1-CD1 3.38Å; V94-L98 HydrophobicContact CG1-CG 3.97Å; V94-L98 WeakPolarHBondContact O-CB 3.12Å; V94-L98 VanDerWaalsContact O-CG 3.3Å; V94-L98 WeakPolarHBondContact O-CG 3.34Å; V94-L98 PolarHBondContact O-N 3.04Å; L98-G100 PolarHBondContact O-N 2.96Å
99	A	41.6	Very low	50.5	Low	62 Å²	62	67.4 Å²	67.4	51%	0.512	38%	0.379	S	S	.	.	S	Bend	trans	-62.6	83.7	152.5	0	0	0	0	0	105.2	I95 F101	I95-A99 WeakPolarHBondContact O-CB 3.29Å; I95-A99 PolarHBondContact O-N 2.93Å; A99-F101 PolarHBondContact O-N 3.42Å
100	G	37.4	Very low	50.4	Low	47 Å²	47	65.9 Å²	65.9	49%	0.485	37%	0.371	S	S	.	.			trans	-49	141.8	175.3	0	0	0	0	0	107.5	L98 D102	L98-G100 PolarHBondContact O-N 2.96Å; G100-D102 PolarHBondContact O-N 2.81Å
101	F	38.9	Very low	50	Low	126 Å²	126	64.3 Å²	64.3	55%	0.553	36%	0.358	S	S	*	.			trans	-55	84	161.6	-99.6	-106	0	0	0	106.5	T48 A99	T48-F101 HydrophobicContact CG2-CZ 4.44Å; A99-F101 PolarHBondContact O-N 3.42Å
102	D	45.4	Very low	50	Low	98 Å²	98	67 Å²	67	52%	0.524	37%	0.367	S	S	.	.			trans	-73.4	138.9	-176.1	-159.2	-28.2	0	0	0	104.9	G100 N104 E105	G100-D102 PolarHBondContact O-N 2.81Å; D102-N104 PolarHBondContact O-N 2.64Å; D102-E105 VanDerWaalsContact O-CB 3.29Å; D102-E105 WeakPolarHBondContact O-CB 3.27Å; D102-E105 PolarHBondContact O-N 2.76Å
103	K	48.8	Very low	50	Low	74 Å²	74	67.1 Å²	67.1	32%	0.322	37%	0.37	S	S	.	.	H	α-helix	trans	-53.8	-21.9	-173.7	-70.9	158	173.8	-159.4	0	112.9	E105 I107 E155 L161	K103-E105 VanDerWaalsContact C-N 3.33Å; K103-I107 WeakPolarHBondContact O-CG1 3.26Å; K103-E155 WeakPolarHBondContact CE-OE2 3.36Å; K103-E155 IonicContact NZ-OE1 3.74Å; K103-E155 IonicContact NZ-OE2 2.78Å; K103-E155 PolarHBondContact NZ-OE2 3.3Å; K103-L161 HydrophobicContact CD-CD1 3.74Å; K103-L161 HydrophobicContact CG-CD1 4.38Å
104	N	51.9	Low	50.1	Low	74 Å²	74	68.3 Å²	68.3	40%	0.396	37%	0.374	S	S	.	.	H	α-helix	trans	-66.1	-27.2	172.5	-63.5	-17	0	0	0	114	D102 Q108 R168	D102-N104 PolarHBondContact O-N 2.64Å; N104-Q108 WeakPolarHBondContact O-CG 3.48Å; N104-Q108 PolarHBondContact O-N 3.34Å; N104-Q108 VanDerWaalsContact O-N 3.1Å; N104-R168 PolarHBondContact OD1-NH1 3.44Å
105	E	50.5	Low	50.7	Low	42 Å²	42	64.9 Å²	64.9	20%	0.196	35%	0.354	C	S	.	.	H	α-helix	trans	-75.2	-39.2	-178.9	-172.5	166.3	-141	0	0	112.2	K46 D102 K103 I107 Q108 H109	K46-E105 HydrophobicContact CD-CG 3.89Å; K46-E105 WeakPolarHBondContact CD-OE1 3.4Å; K46-E105 VanDerWaalsContact CE-OE1 3.29Å; K46-E105 WeakPolarHBondContact CE-OE1 3.47Å; K46-E105 IonicContact NZ-OE1 2.68Å; K46-E105 PolarHBondContact NZ-OE1 3.06Å; D102-E105 VanDerWaalsContact O-CB 3.29Å; D102-E105 WeakPolarHBondContact O-CB 3.27Å; D102-E105 PolarHBondContact O-N 2.76Å; K103-E105 VanDerWaalsContact C-N 3.33Å; E105-I107 VanDerWaalsContact C-N 3.3Å; E105-I107 PolarHBondContact O-N 3.32Å; E105-Q108 PolarHBondContact O-N 2.9Å; E105-H109 WeakPolarHBondContact O-CB 3.32Å; E105-H109 PolarHBondContact O-N 3.27Å
106	A	52	Low	51.6	Low	12 Å²	12	65.3 Å²	65.3	10%	0.099	35%	0.354	C	S	.	.	H	α-helix	trans	-62.7	-39.8	173.4	0	0	0	0	0	111.4	H109 C110 E151	A106-H109 PolarHBondContact O-N 3.38Å; A106-C110 PolarHBondContact O-N 3.44Å; A106-C110 VanDerWaalsContact O-N 3.1Å; A106-C110 PolarHBondContact O-SG 3.22Å; A106-E151 HydrophobicContact CB-CB 3.84Å; A106-E151 HydrophobicContact CB-CG 4.47Å
107	I	53.5	Low	52.5	Low	10 Å²	10	68.7 Å²	68.7	5%	0.051	37%	0.365	C	S	.	.	H	α-helix	trans	-59	-58.8	173.3	-63	170.9	0	0	0	109.2	K103 E105 H109 C110 E111 I165 I169	K103-I107 WeakPolarHBondContact O-CG1 3.26Å; E105-I107 VanDerWaalsContact C-N 3.3Å; E105-I107 PolarHBondContact O-N 3.32Å; I107-H109 VanDerWaalsContact C-N 3.25Å; I107-H109 PolarHBondContact O-N 3.47Å; I107-C110 WeakPolarHBondContact O-CA 3.28Å; I107-C110 WeakPolarHBondContact O-CB 3.35Å; I107-C110 PolarHBondContact O-N 2.88Å; I107-E111 VanDerWaalsContact CG2-CD 3.46Å; I107-E111 HydrophobicContact CG2-CG 3.89Å; I107-E111 WeakPolarHBondContact CG2-OE1 3.25Å; I107-E111 VanDerWaalsContact O-CG 3.28Å; I107-E111 WeakPolarHBondContact O-CG 3.24Å; I107-E111 PolarHBondContact O-N 3.06Å; I107-I165 HydrophobicContact CD1-CB 4.25Å; I107-I165 HydrophobicContact CD1-CG1 4.17Å; I107-I165 HydrophobicContact CD1-CG2 3.54Å; I107-I165 HydrophobicContact CG1-CG2 3.49Å; I107-I165 VanDerWaalsContact CG1-CG2 3.49Å; I107-I169 HydrophobicContact CD1-CD1 4.46Å; I107-I169 HydrophobicContact CD1-CG1 4.29Å; I107-I169 HydrophobicContact CG1-CD1 4.23Å; I107-I169 HydrophobicContact CG1-CG1 4.48Å; I107-I169 HydrophobicContact CG2-CD1 3.71Å; I107-I169 HydrophobicContact CG2-CG1 3.56Å
108	Q	54.7	Low	53.6	Low	99 Å²	99	67.4 Å²	67.4	46%	0.463	35%	0.352	S	S	.	.	H	α-helix	trans	-56.2	-37.7	-179.1	-75.4	-175.3	-18.5	0	0	113.5	N104 E105 C110 E111 Q112	N104-Q108 WeakPolarHBondContact O-CG 3.48Å; N104-Q108 PolarHBondContact O-N 3.34Å; N104-Q108 VanDerWaalsContact O-N 3.1Å; E105-Q108 PolarHBondContact O-N 2.9Å; Q108-C110 VanDerWaalsContact C-N 3.35Å; Q108-E111 PolarHBondContact O-N 3Å; Q108-Q112 WeakPolarHBondContact O-CB 3.18Å; Q108-Q112 PolarHBondContact O-N 2.77Å
109	H	57.3	Low	54.9	Low	25 Å²	25	63 Å²	63	12%	0.116	33%	0.327	C	S	.	.	H	α-helix	trans	-61.7	-44.5	175.7	-171.1	52.1	0	0	0	111.6	E105 A106 I107 V113 E151	E105-H109 WeakPolarHBondContact O-CB 3.32Å; E105-H109 PolarHBondContact O-N 3.27Å; A106-H109 PolarHBondContact O-N 3.38Å; I107-H109 VanDerWaalsContact C-N 3.25Å; I107-H109 PolarHBondContact O-N 3.47Å; H109-V113 VanDerWaalsContact O-CB 3.27Å; H109-V113 WeakPolarHBondContact O-CB 3.47Å; H109-V113 PolarHBondContact O-N 3.33Å; H109-E151 IonicContact CD2-OE1 3.67Å
110	C	55.8	Low	56.2	Low	0 Å²	0	63.2 Å²	63.2	0%	0	32%	0.319	C	S	.	.	I	π-helix	trans	-68	-43.2	177.2	-68.7	0	0	0	0	112.7	A106 I107 Q108 M114 C115 C147 I148	A106-C110 PolarHBondContact O-N 3.44Å; A106-C110 VanDerWaalsContact O-N 3.1Å; A106-C110 PolarHBondContact O-SG 3.22Å; I107-C110 WeakPolarHBondContact O-CA 3.28Å; I107-C110 WeakPolarHBondContact O-CB 3.35Å; I107-C110 PolarHBondContact O-N 2.88Å; Q108-C110 VanDerWaalsContact C-N 3.35Å; C110-M114 PolarHBondContact O-N 3.46Å; C110-C115 WeakPolarHBondContact O-CB 3.43Å; C110-C115 PolarHBondContact O-N 3.45Å; C110-C147 WeakPolarHBondContact CA-SG 3.38Å; C110-C147 HydrophobicContact CB-CB 3.74Å; C110-C147 WeakPolarHBondContact CB-SG 3.37Å; C110-C147 WeakPolarHBondContact SG-CB 3.46Å; C110-C147 CovalentContact SG-SG 2.03Å; C110-C147 PolarHBondContact SG-SG 3.29Å; C110-I148 HydrophobicContact CB-CG1 4.22Å; C110-I148 PolarHBondContact SG-N 3.46Å
111	E	54.5	Low	57.7	Low	20 Å²	20	64.3 Å²	64.3	9%	0.093	31%	0.311	C	S	.	.	I	π-helix	trans	-63.9	-47.5	-179.3	-61.9	-173.4	146.6	0	0	112.1	I107 Q108 C115 E116 Y140 M144 I169	I107-E111 VanDerWaalsContact CG2-CD 3.46Å; I107-E111 HydrophobicContact CG2-CG 3.89Å; I107-E111 WeakPolarHBondContact CG2-OE1 3.25Å; I107-E111 VanDerWaalsContact O-CG 3.28Å; I107-E111 WeakPolarHBondContact O-CG 3.24Å; I107-E111 PolarHBondContact O-N 3.06Å; Q108-E111 PolarHBondContact O-N 3Å; E111-C115 CarbonylContact O-C 3.57Å; E111-E116 WeakPolarHBondContact O-CA 3.12Å; E111-E116 PolarHBondContact O-N 3.49Å; E111-Y140 VanDerWaalsContact CD-OH 3.23Å; E111-Y140 WeakPolarHBondContact CG-OH 3.38Å; E111-Y140 PolarHBondContact OE1-OH 2.82Å; E111-M144 HydrophobicContact CG-SD 4Å; E111-I169 WeakPolarHBondContact OE1-CG2 3.26Å
112	Q	57	Low	59.1	Low	106 Å²	106	58.3 Å²	58.3	50%	0.495	29%	0.285	S	S	.	.	I	π-helix	trans	-94.6	-24	-170.5	-66.5	-174.8	-16.7	0	0	115.2	Q108 E116	Q108-Q112 WeakPolarHBondContact O-CB 3.18Å; Q108-Q112 PolarHBondContact O-N 2.77Å; Q112-E116 WeakPolarHBondContact O-CB 3.46Å
113	V	58.4	Low	60.2	Low	66 Å²	66	54.4 Å²	54.4	40%	0.4	27%	0.265	S	S	.	.	I	π-helix	trans	-106.9	-37.9	-173.8	-174.1	0	0	0	0	112.1	H109	H109-V113 VanDerWaalsContact O-CB 3.27Å; H109-V113 WeakPolarHBondContact O-CB 3.47Å; H109-V113 PolarHBondContact O-N 3.33Å
114	M	57.8	Low	61.3	Low	110 Å²	110	57.5 Å²	57.5	54%	0.542	28%	0.28	S	S	.	.	I	π-helix	trans	-103.8	-35.7	-174.1	-66.3	-67.2	-69.6	0	0	112.8	C110	C110-M114 PolarHBondContact O-N 3.46Å
115	C	64	Low	62.2	Low	1 Å²	1	59.8 Å²	59.8	1%	0.007	29%	0.291	C	S	.	.	S	Bend	trans	-113.7	19.9	-176.1	-53.7	0	0	0	0	113.1	C110 E111 E117 H118 Y119 Y140 C143 M144	C110-C115 WeakPolarHBondContact O-CB 3.43Å; C110-C115 PolarHBondContact O-N 3.45Å; E111-C115 CarbonylContact O-C 3.57Å; C115-E117 VanDerWaalsContact C-N 3.31Å; C115-E117 PolarHBondContact O-N 2.87Å; C115-H118 PolarHBondContact O-N 2.9Å; C115-Y119 PolarHBondContact O-N 3.39Å; C115-Y140 HydrophobicContact CB-CD2 4.3Å; C115-Y140 HydrophobicContact CB-CE2 4.29Å; C115-C143 WeakPolarHBondContact CA-SG 3.46Å; C115-C143 HydrophobicContact CB-CB 3.9Å; C115-C143 WeakPolarHBondContact CB-SG 3.19Å; C115-C143 WeakPolarHBondContact SG-CB 3.37Å; C115-C143 CovalentContact SG-SG 2.04Å; C115-C143 PolarHBondContact SG-SG 3.4Å; C115-M144 HydrophobicContact CB-CG 4.44Å; C115-M144 PolarHBondContact SG-N 3.29Å; C115-M144 VanDerWaalsContact SG-N 3.42Å
116	E	68.7	Low	63	Low	110 Å²	110	57.8 Å²	57.8	51%	0.514	28%	0.282	S	S	.	.	H	α-helix	trans	-52.1	-45.8	-175	-170	-179.3	-169.3	0	0	112.4	E111 Q112 H118 Y119 L120	E111-E116 WeakPolarHBondContact O-CA 3.12Å; E111-E116 PolarHBondContact O-N 3.49Å; Q112-E116 WeakPolarHBondContact O-CB 3.46Å; E116-H118 VanDerWaalsContact C-N 3.35Å; E116-H118 PolarHBondContact O-N 3.47Å; E116-Y119 PolarHBondContact O-N 3.41Å; E116-L120 HydrophobicContact CG-CD1 4.07Å; E116-L120 HydrophobicContact CG-CG 4.41Å; E116-L120 WeakPolarHBondContact O-CB 3.42Å; E116-L120 WeakPolarHBondContact O-CG 3.35Å; E116-L120 PolarHBondContact O-N 2.85Å
117	E	69.3	Low	63.9	Low	139 Å²	139	62.2 Å²	62.2	65%	0.65	30%	0.304	S	S	*	.	H	α-helix	trans	-57.5	-47.7	179	-175	174.3	-162	0	0	111.3	C115 L120 E121	C115-E117 VanDerWaalsContact C-N 3.31Å; C115-E117 PolarHBondContact O-N 2.87Å; E117-L120 PolarHBondContact O-N 3.23Å; E117-E121 WeakPolarHBondContact O-CG 3.44Å; E117-E121 PolarHBondContact O-N 2.9Å
118	H	67.8	Low	64.3	Low	60 Å²	60	61.8 Å²	61.8	28%	0.278	30%	0.302	S	S	.	.	H	α-helix	trans	-71.4	-32.3	179.3	-65.8	80.4	0	0	0	112.2	C115 E116 M122 Y140	C115-H118 PolarHBondContact O-N 2.9Å; E116-H118 VanDerWaalsContact C-N 3.35Å; E116-H118 PolarHBondContact O-N 3.47Å; H118-M122 WeakPolarHBondContact O-CB 3.48Å; H118-M122 WeakPolarHBondContact O-CG 3.2Å; H118-M122 PolarHBondContact O-N 2.81Å; H118-Y140 HydrophobicContact CB-CD2 3.88Å; H118-Y140 HydrophobicContact CB-CG 4.42Å
119	Y	68.3	Low	64.9	Low	43 Å²	43	60.1 Å²	60.1	17%	0.169	30%	0.296	C	S	.	.	H	α-helix	trans	-67.2	-44.5	175.2	178	-99.1	0	0	0	111.7	C115 E116 M122 T123 Y140 E176	C115-Y119 PolarHBondContact O-N 3.39Å; E116-Y119 PolarHBondContact O-N 3.41Å; Y119-M122 PolarHBondContact O-N 2.86Å; Y119-T123 HydrophobicContact CD1-CG2 4.42Å; Y119-T123 HydrophobicContact CD2-CG2 4.15Å; Y119-T123 HydrophobicContact CE1-CG2 4Å; Y119-T123 HydrophobicContact CE2-CG2 3.7Å; Y119-T123 HydrophobicContact CG-CG2 4.49Å; Y119-T123 WeakPolarHBondContact O-CB 3.26Å; Y119-T123 WeakPolarHBondContact O-CG2 3.38Å; Y119-T123 PolarHBondContact O-N 3.45Å; Y119-T123 PolarHBondContact O-OG1 3.47Å; Y119-Y140 HydrophobicContact CD2-CE2 4.13Å; Y119-Y140 HydrophobicContact CG-CE2 4.49Å; Y119-E176 PolarHBondContact OH-OE2 2.78Å
120	L	68.8	Low	65.3	Low	66 Å²	66	64.8 Å²	64.8	35%	0.346	31%	0.313	S	S	.	.	H	α-helix	trans	-64.5	-44	175.9	-71.6	173.3	0	0	0	110.8	E116 E117 M122 T123 E124	E116-L120 HydrophobicContact CG-CD1 4.07Å; E116-L120 HydrophobicContact CG-CG 4.41Å; E116-L120 WeakPolarHBondContact O-CB 3.42Å; E116-L120 WeakPolarHBondContact O-CG 3.35Å; E116-L120 PolarHBondContact O-N 2.85Å; E117-L120 PolarHBondContact O-N 3.23Å; L120-M122 VanDerWaalsContact C-N 3.34Å; L120-M122 PolarHBondContact O-N 3.34Å; L120-T123 PolarHBondContact O-N 2.77Å; L120-E124 HydrophobicContact CD2-CG 4.39Å; L120-E124 WeakPolarHBondContact O-CA 3.49Å; L120-E124 WeakPolarHBondContact O-CB 3.42Å; L120-E124 WeakPolarHBondContact O-CG 3.39Å; L120-E124 PolarHBondContact O-N 3.26Å
121	E	68.8	Low	66.1	Low	70 Å²	70	73.4 Å²	73.4	33%	0.327	35%	0.353	S	S	.	.	I	π-helix	trans	-59.5	-45.4	174.1	-71.1	-173.5	170.4	0	0	111.5	E117 T123 I125 C126 T136	E117-E121 WeakPolarHBondContact O-CG 3.44Å; E117-E121 PolarHBondContact O-N 2.9Å; E121-T123 PolarHBondContact O-N 3.01Å; E121-I125 HydrophobicContact CB-CD1 4.11Å; E121-I125 HydrophobicContact CG-CD1 3.86Å; E121-I125 WeakPolarHBondContact O-CA 3.32Å; E121-I125 WeakPolarHBondContact O-CB 3.3Å; E121-I125 PolarHBondContact O-N 3.43Å; E121-C126 PolarHBondContact O-N 3.39Å; E121-C126 VanDerWaalsContact O-N 3.17Å; E121-T136 HydrophobicContact CB-CG2 3.48Å; E121-T136 VanDerWaalsContact CB-CG2 3.48Å
122	M	67.2	Low	66.9	Low	0 Å²	0	78.2 Å²	78.2	0%	0	38%	0.376	C	S	.	.	I	π-helix	trans	-61.6	-45.9	176.6	-81.9	-56.7	-55.4	0	0	112.7	H118 Y119 L120 C126 N127 G128 T136 W137 Y140	H118-M122 WeakPolarHBondContact O-CB 3.48Å; H118-M122 WeakPolarHBondContact O-CG 3.2Å; H118-M122 PolarHBondContact O-N 2.81Å; Y119-M122 PolarHBondContact O-N 2.86Å; L120-M122 VanDerWaalsContact C-N 3.34Å; L120-M122 PolarHBondContact O-N 3.34Å; M122-C126 HydrophobicContact CE-CB 4.48Å; M122-C126 CarbonylContact O-C 3.53Å; M122-C126 WeakPolarHBondContact O-CA 3.46Å; M122-C126 VanDerWaalsContact O-CB 3.3Å; M122-C126 WeakPolarHBondContact O-CB 3.37Å; M122-C126 PolarHBondContact O-N 3.28Å; M122-C126 HydrophobicContact SD-CB 4.5Å; M122-N127 PolarHBondContact O-N 3Å; M122-G128 VanDerWaalsContact O-CA 3.31Å; M122-G128 WeakPolarHBondContact O-CA 3.35Å; M122-G128 PolarHBondContact O-N 2.9Å; M122-T136 HydrophobicContact CG-CG2 3.86Å; M122-T136 HydrophobicContact SD-CG2 3.75Å; M122-W137 HydrophobicContact CE-CB 4.19Å; M122-W137 HydrophobicContact CE-CD2 4.48Å; M122-W137 HydrophobicContact CE-CE3 3.74Å; M122-W137 HydrophobicContact CG-CE3 4.47Å; M122-W137 WeakPolarHBondContact SD-CA 3.33Å; M122-W137 HydrophobicContact SD-CB 3.86Å; M122-W137 HydrophobicContact SD-CE3 4.2Å; M122-W137 PolarHBondContact SD-N 2.88Å; M122-Y140 HydrophobicContact CG-CG 4.4Å
123	T	70.4	Confident	67.7	Low	15 Å²	15	74.4 Å²	74.4	9%	0.092	36%	0.36	C	S	.	.	I	π-helix	trans	-84.4	-33.7	-172.2	53.9	0	0	0	0	114	Y119 L120 E121	Y119-T123 HydrophobicContact CD1-CG2 4.42Å; Y119-T123 HydrophobicContact CD2-CG2 4.15Å; Y119-T123 HydrophobicContact CE1-CG2 4Å; Y119-T123 HydrophobicContact CE2-CG2 3.7Å; Y119-T123 HydrophobicContact CG-CG2 4.49Å; Y119-T123 WeakPolarHBondContact O-CB 3.26Å; Y119-T123 WeakPolarHBondContact O-CG2 3.38Å; Y119-T123 PolarHBondContact O-N 3.45Å; Y119-T123 PolarHBondContact O-OG1 3.47Å; L120-T123 PolarHBondContact O-N 2.77Å; E121-T123 PolarHBondContact O-N 3.01Å
124	E	70.6	Confident	68.6	Low	140 Å²	140	74.5 Å²	74.5	65%	0.654	36%	0.362	S	S	*	.	I	π-helix	trans	-96.2	-39.4	-176.4	-59	-168.5	161.9	0	0	113.1	L120	L120-E124 HydrophobicContact CD2-CG 4.39Å; L120-E124 WeakPolarHBondContact O-CA 3.49Å; L120-E124 WeakPolarHBondContact O-CB 3.42Å; L120-E124 WeakPolarHBondContact O-CG 3.39Å; L120-E124 PolarHBondContact O-N 3.26Å
125	I	70.4	Confident	69.5	Low	121 Å²	121	76.6 Å²	76.6	62%	0.621	37%	0.37	S	S	*	.	I	π-helix	trans	-87.5	-42.5	-179.5	-53.6	178	0	0	0	110	E121	E121-I125 HydrophobicContact CB-CD1 4.11Å; E121-I125 HydrophobicContact CG-CD1 3.86Å; E121-I125 WeakPolarHBondContact O-CA 3.32Å; E121-I125 WeakPolarHBondContact O-CB 3.3Å; E121-I125 PolarHBondContact O-N 3.43Å
126	C	68.2	Low	70	Confident	0 Å²	0	77.9 Å²	77.9	0%	0	38%	0.379	C	S	.	.	S	Bend	trans	-102.8	6.3	-171.2	-52.1	0	0	0	0	113.6	E121 M122 G128 N129 C133	E121-C126 PolarHBondContact O-N 3.39Å; E121-C126 VanDerWaalsContact O-N 3.17Å; M122-C126 HydrophobicContact CE-CB 4.48Å; M122-C126 CarbonylContact O-C 3.53Å; M122-C126 WeakPolarHBondContact O-CA 3.46Å; M122-C126 VanDerWaalsContact O-CB 3.3Å; M122-C126 WeakPolarHBondContact O-CB 3.37Å; M122-C126 PolarHBondContact O-N 3.28Å; M122-C126 HydrophobicContact SD-CB 4.5Å; C126-G128 PolarHBondContact O-N 2.83Å; C126-N129 WeakPolarHBondContact O-CB 3.35Å; C126-N129 PolarHBondContact O-N 3.42Å; C126-C133 HydrophobicContact CB-CB 3.51Å; C126-C133 WeakPolarHBondContact CB-SG 3.47Å; C126-C133 WeakPolarHBondContact SG-CB 3.42Å; C126-C133 CovalentContact SG-SG 2.01Å; C126-C133 PolarHBondContact SG-SG 3.44Å
127	N	69.6	Low	70.2	Confident	105 Å²	105	73 Å²	73	56%	0.561	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.7	38.4	-175.3	-69.9	-37.6	0	0	0	112.7	M122 N129 T177	M122-N127 PolarHBondContact O-N 3Å; N127-N129 PolarHBondContact O-N 2.85Å; N127-T177 VanDerWaalsContact C-CG2 3.45Å; N127-T177 WeakPolarHBondContact O-CG2 3.28Å
128	G	62.3	Low	70.5	Confident	1 Å²	1	70.5 Å²	70.5	1%	0.01	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.2	5.9	-174.4	0	0	0	0	0	115.8	M122 C126 R130	M122-G128 VanDerWaalsContact O-CA 3.31Å; M122-G128 WeakPolarHBondContact O-CA 3.35Å; M122-G128 PolarHBondContact O-N 2.9Å; C126-G128 PolarHBondContact O-N 2.83Å; G128-R130 PolarHBondContact O-N 3.3Å
129	N	68.5	Low	70.8	Confident	64 Å²	64	68.7 Å²	68.7	34%	0.342	34%	0.344	S	S	.	.			trans	-83.8	110.4	-178	-172.4	-3.4	0	0	0	111.2	C126 N127 E131 E132 C133	C126-N129 WeakPolarHBondContact O-CB 3.35Å; C126-N129 PolarHBondContact O-N 3.42Å; N127-N129 PolarHBondContact O-N 2.85Å; N129-E131 VanDerWaalsContact C-N 3.28Å; N129-E131 PolarHBondContact O-N 3.46Å; N129-E131 PolarHBondContact OD1-N 2.91Å; N129-E132 HydrophobicContact CB-CB 3.99Å; N129-E132 PolarHBondContact O-N 2.82Å; N129-C133 PolarHBondContact O-N 2.87Å
130	R	65.5	Low	71	Confident	124 Å²	124	66.7 Å²	66.7	47%	0.468	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-34.4	176.1	173.5	179.7	175.2	174.7	1.5	113.6	G128 E132 C133 W137 E170	G128-R130 PolarHBondContact O-N 3.3Å; R130-E132 VanDerWaalsContact C-N 3.25Å; R130-E132 PolarHBondContact O-N 3.5Å; R130-C133 CarbonylContact O-C 3.59Å; R130-W137 HydrophobicContact CB-CD2 4.36Å; R130-W137 HydrophobicContact CB-CG 4.27Å; R130-W137 HydrophobicContact CG-CB 4.24Å; R130-W137 HydrophobicContact CG-CD2 4.14Å; R130-W137 HydrophobicContact CG-CG 3.69Å; R130-E170 IonicContact NH1-OE1 3.13Å; R130-E170 PolarHBondContact NH1-OE1 2.89Å; R130-E170 VanDerWaalsContact NH1-OE1 3.13Å
131	E	72.5	Confident	71	Confident	180 Å²	180	65.1 Å²	65.1	84%	0.841	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-26.9	-178.9	-63.3	-168.8	164.8	0	0	111.9	N129	N129-E131 VanDerWaalsContact C-N 3.28Å; N129-E131 PolarHBondContact O-N 3.46Å; N129-E131 PolarHBondContact OD1-N 2.91Å
132	E	71.9	Confident	71.1	Confident	122 Å²	122	65 Å²	65	57%	0.57	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-34.7	-177.9	-154.4	164.5	-168.7	0	0	111.7	N129 R130	N129-E132 HydrophobicContact CB-CB 3.99Å; N129-E132 PolarHBondContact O-N 2.82Å; R130-E132 VanDerWaalsContact C-N 3.25Å; R130-E132 PolarHBondContact O-N 3.5Å
133	C	73.7	Confident	71.2	Confident	26 Å²	26	66.6 Å²	66.6	18%	0.176	35%	0.349	C	S	.	.			trans	-134.4	73.3	179.2	-62.7	0	0	0	0	113.3	C126 N129 R130 E135 T136 W137	C126-C133 HydrophobicContact CB-CB 3.51Å; C126-C133 WeakPolarHBondContact CB-SG 3.47Å; C126-C133 WeakPolarHBondContact SG-CB 3.42Å; C126-C133 CovalentContact SG-SG 2.01Å; C126-C133 PolarHBondContact SG-SG 3.44Å; N129-C133 PolarHBondContact O-N 2.87Å; R130-C133 CarbonylContact O-C 3.59Å; C133-E135 VanDerWaalsContact C-N 3.26Å; C133-E135 PolarHBondContact O-N 3.35Å; C133-T136 PolarHBondContact O-N 2.91Å; C133-W137 WeakPolarHBondContact O-CB 3.38Å; C133-W137 PolarHBondContact O-N 2.97Å
134	P	76.5	Confident	71.1	Confident	67 Å²	67	65.9 Å²	65.9	44%	0.435	35%	0.345	S	S	.	.	H	α-helix	trans	-62.8	-32.7	179.6	24.6	-34.1	0	0	0	113	N138	P134-N138 WeakPolarHBondContact O-CB 3.35Å; P134-N138 PolarHBondContact O-N 3Å; P134-N138 PolarHBondContact O-ND2 3.24Å; P134-N138 VanDerWaalsContact O-ND2 3.12Å
135	E	77.1	Confident	71	Confident	154 Å²	154	64.4 Å²	64.4	72%	0.72	34%	0.337	S	S	*	.	H	α-helix	trans	-68.5	-48.9	180	-63.6	-61.6	160	0	0	111.9	C133 W137 N138 G139	C133-E135 VanDerWaalsContact C-N 3.26Å; C133-E135 PolarHBondContact O-N 3.35Å; E135-W137 VanDerWaalsContact C-N 3.31Å; E135-W137 PolarHBondContact O-N 2.99Å; E135-N138 PolarHBondContact O-N 3.48Å; E135-G139 PolarHBondContact O-N 3.21Å
136	T	73.3	Confident	70.7	Confident	29 Å²	29	62.3 Å²	62.3	18%	0.178	33%	0.331	C	S	.	.	H	α-helix	trans	-62.2	-39.9	176.4	-49.5	0	0	0	0	111.2	E121 M122 C133 G139 Y140	E121-T136 HydrophobicContact CB-CG2 3.48Å; E121-T136 VanDerWaalsContact CB-CG2 3.48Å; M122-T136 HydrophobicContact CG-CG2 3.86Å; M122-T136 HydrophobicContact SD-CG2 3.75Å; C133-T136 PolarHBondContact O-N 2.91Å; T136-G139 PolarHBondContact O-N 3.37Å; T136-Y140 WeakPolarHBondContact O-CB 3.3Å; T136-Y140 PolarHBondContact O-N 2.82Å
137	W	72.5	Confident	70.3	Confident	6 Å²	6	63 Å²	63	2%	0.023	34%	0.335	C	S	.	.	H	α-helix	trans	-61.6	-45.3	175.4	176.2	-106.6	0	0	0	112.4	M122 R130 C133 E135 G139 Y140 M141 E170 M173	M122-W137 HydrophobicContact CE-CB 4.19Å; M122-W137 HydrophobicContact CE-CD2 4.48Å; M122-W137 HydrophobicContact CE-CE3 3.74Å; M122-W137 HydrophobicContact CG-CE3 4.47Å; M122-W137 WeakPolarHBondContact SD-CA 3.33Å; M122-W137 HydrophobicContact SD-CB 3.86Å; M122-W137 HydrophobicContact SD-CE3 4.2Å; M122-W137 PolarHBondContact SD-N 2.88Å; R130-W137 HydrophobicContact CB-CD2 4.36Å; R130-W137 HydrophobicContact CB-CG 4.27Å; R130-W137 HydrophobicContact CG-CB 4.24Å; R130-W137 HydrophobicContact CG-CD2 4.14Å; R130-W137 HydrophobicContact CG-CG 3.69Å; C133-W137 WeakPolarHBondContact O-CB 3.38Å; C133-W137 PolarHBondContact O-N 2.97Å; E135-W137 VanDerWaalsContact C-N 3.31Å; E135-W137 PolarHBondContact O-N 2.99Å; W137-G139 VanDerWaalsContact C-N 3.33Å; W137-G139 PolarHBondContact O-N 2.92Å; W137-Y140 HydrophobicContact CE3-CD1 4.01Å; W137-Y140 HydrophobicContact CH2-CD1 4.37Å; W137-Y140 AromaticContact CZ3-CD1 3.56Å; W137-Y140 HydrophobicContact CZ3-CD1 3.56Å; W137-Y140 AromaticContact CZ3-CE1 3.91Å; W137-Y140 HydrophobicContact CZ3-CE1 3.91Å; W137-Y140 PolarHBondContact O-N 3.4Å; W137-M141 HydrophobicContact CD2-CG 4.09Å; W137-M141 HydrophobicContact CE3-CG 4.47Å; W137-M141 HydrophobicContact CH2-CE 4.22Å; W137-M141 HydrophobicContact CH2-CG 4.09Å; W137-M141 HydrophobicContact CH2-SD 3.71Å; W137-M141 HydrophobicContact CZ2-CE 3.66Å; W137-M141 HydrophobicContact CZ2-CG 3.72Å; W137-M141 HydrophobicContact CZ2-SD 3.63Å; W137-M141 HydrophobicContact CZ3-CG 4.4Å; W137-M141 HydrophobicContact CZ3-SD 4.37Å; W137-M141 WeakPolarHBondContact O-CB 3.41Å; W137-M141 WeakPolarHBondContact O-CG 3.41Å; W137-M141 PolarHBondContact O-N 3.01Å; W137-E170 HydrophobicContact CH2-CG 3.94Å; W137-E170 HydrophobicContact CZ2-CG 3.6Å; W137-M173 HydrophobicContact CE3-CE 4.02Å; W137-M173 HydrophobicContact CE3-SD 4.41Å; W137-M173 HydrophobicContact CH2-CE 3.13Å; W137-M173 HydrophobicContact CH2-SD 4.31Å; W137-M173 HydrophobicContact CZ2-CE 4.36Å; W137-M173 HydrophobicContact CZ3-CE 2.93Å; W137-M173 HydrophobicContact CZ3-SD 3.56Å; W137-M173 VanDerWaalsContact CZ3-SD 3.56Å
138	N	76.4	Confident	70	Confident	88 Å²	88	58 Å²	58	47%	0.471	31%	0.308	S	S	.	.	H	α-helix	trans	-64.1	-39.6	176.9	-71.8	-26.3	0	0	0	111.4	P134 E135 M141 A142	P134-N138 WeakPolarHBondContact O-CB 3.35Å; P134-N138 PolarHBondContact O-N 3Å; P134-N138 PolarHBondContact O-ND2 3.24Å; P134-N138 VanDerWaalsContact O-ND2 3.12Å; E135-N138 PolarHBondContact O-N 3.48Å; N138-M141 PolarHBondContact O-N 3.07Å; N138-A142 WeakPolarHBondContact O-CB 3.22Å; N138-A142 PolarHBondContact O-N 3.35Å
139	G	74.2	Confident	70	Confident	22 Å²	22	60.9 Å²	60.9	23%	0.227	32%	0.324	C	S	.	.	H	α-helix	trans	-61.2	-47.1	173.8	0	0	0	0	0	112.3	E135 T136 W137 M141 A142 C143	E135-G139 PolarHBondContact O-N 3.21Å; T136-G139 PolarHBondContact O-N 3.37Å; W137-G139 VanDerWaalsContact C-N 3.33Å; W137-G139 PolarHBondContact O-N 2.92Å; G139-M141 PolarHBondContact O-N 3.34Å; G139-A142 PolarHBondContact O-N 3.27Å; G139-C143 PolarHBondContact O-N 3.33Å
140	Y	71.7	Confident	69.8	Low	0 Å²	0	65.6 Å²	65.6	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-57.3	-51	175.3	179.4	-112	0	0	0	112	E111 C115 H118 Y119 M122 T136 W137 A142 C143 M144 I169 M173	E111-Y140 VanDerWaalsContact CD-OH 3.23Å; E111-Y140 WeakPolarHBondContact CG-OH 3.38Å; E111-Y140 PolarHBondContact OE1-OH 2.82Å; C115-Y140 HydrophobicContact CB-CD2 4.3Å; C115-Y140 HydrophobicContact CB-CE2 4.29Å; H118-Y140 HydrophobicContact CB-CD2 3.88Å; H118-Y140 HydrophobicContact CB-CG 4.42Å; Y119-Y140 HydrophobicContact CD2-CE2 4.13Å; Y119-Y140 HydrophobicContact CG-CE2 4.49Å; M122-Y140 HydrophobicContact CG-CG 4.4Å; T136-Y140 WeakPolarHBondContact O-CB 3.3Å; T136-Y140 PolarHBondContact O-N 2.82Å; W137-Y140 HydrophobicContact CE3-CD1 4.01Å; W137-Y140 HydrophobicContact CH2-CD1 4.37Å; W137-Y140 AromaticContact CZ3-CD1 3.56Å; W137-Y140 HydrophobicContact CZ3-CD1 3.56Å; W137-Y140 AromaticContact CZ3-CE1 3.91Å; W137-Y140 HydrophobicContact CZ3-CE1 3.91Å; W137-Y140 PolarHBondContact O-N 3.4Å; Y140-A142 VanDerWaalsContact C-N 3.33Å; Y140-A142 PolarHBondContact O-N 2.82Å; Y140-C143 WeakPolarHBondContact O-CB 3.42Å; Y140-C143 PolarHBondContact O-N 2.85Å; Y140-M144 HydrophobicContact CD1-CE 4.04Å; Y140-M144 HydrophobicContact CD1-CG 4.46Å; Y140-M144 HydrophobicContact CD1-SD 4.18Å; Y140-M144 HydrophobicContact CD2-CG 4.35Å; Y140-M144 HydrophobicContact CE1-CE 3.58Å; Y140-M144 HydrophobicContact CE1-CG 4.18Å; Y140-M144 HydrophobicContact CE1-SD 3.42Å; Y140-M144 WeakPolarHBondContact CE1-SD 3.29Å; Y140-M144 HydrophobicContact CE2-CG 4.03Å; Y140-M144 HydrophobicContact CE2-SD 3.96Å; Y140-M144 WeakPolarHBondContact O-CG 3.41Å; Y140-M144 PolarHBondContact O-N 2.97Å; Y140-M144 PolarHBondContact OH-SD 2.81Å; Y140-I169 HydrophobicContact CE1-CG2 3.74Å; Y140-M173 HydrophobicContact CE1-SD 4.03Å
141	M	69	Low	69.2	Low	33 Å²	33	62.7 Å²	62.7	16%	0.163	33%	0.329	C	S	.	.	H	α-helix	trans	-64.4	-36.9	178.3	-68.8	-66.7	-100.2	0	0	112.5	W137 N138 G139 C143 M144 K145 M166	W137-M141 HydrophobicContact CD2-CG 4.09Å; W137-M141 HydrophobicContact CE3-CG 4.47Å; W137-M141 HydrophobicContact CH2-CE 4.22Å; W137-M141 HydrophobicContact CH2-CG 4.09Å; W137-M141 HydrophobicContact CH2-SD 3.71Å; W137-M141 HydrophobicContact CZ2-CE 3.66Å; W137-M141 HydrophobicContact CZ2-CG 3.72Å; W137-M141 HydrophobicContact CZ2-SD 3.63Å; W137-M141 HydrophobicContact CZ3-CG 4.4Å; W137-M141 HydrophobicContact CZ3-SD 4.37Å; W137-M141 WeakPolarHBondContact O-CB 3.41Å; W137-M141 WeakPolarHBondContact O-CG 3.41Å; W137-M141 PolarHBondContact O-N 3.01Å; N138-M141 PolarHBondContact O-N 3.07Å; G139-M141 PolarHBondContact O-N 3.34Å; M141-C143 VanDerWaalsContact C-N 3.31Å; M141-C143 PolarHBondContact O-N 3.43Å; M141-M144 PolarHBondContact O-N 3.33Å; M141-M144 HydrophobicContact SD-CE 3.46Å; M141-M144 WeakPolarHBondContact SD-CE 3.3Å; M141-K145 VanDerWaalsContact O-CB 3.26Å; M141-K145 WeakPolarHBondContact O-CB 3.33Å; M141-K145 PolarHBondContact O-N 3.26Å; M141-M166 HydrophobicContact CE-CB 4.14Å; M141-M166 HydrophobicContact CE-CG 4.22Å; M141-M166 HydrophobicContact CE-SD 3.35Å; M141-M166 WeakPolarHBondContact CE-SD 3.19Å; M141-M166 HydrophobicContact SD-SD 3.62Å; M141-M166 VanDerWaalsContact SD-SD 3.62Å
142	A	71.9	Confident	68.3	Low	68 Å²	68	55.1 Å²	55.1	56%	0.562	29%	0.293	S	S	*	.	H	α-helix	trans	-66.3	-33.4	176	0	0	0	0	0	112.3	N138 G139 Y140 P146	N138-A142 WeakPolarHBondContact O-CB 3.22Å; N138-A142 PolarHBondContact O-N 3.35Å; G139-A142 PolarHBondContact O-N 3.27Å; Y140-A142 VanDerWaalsContact C-N 3.33Å; Y140-A142 PolarHBondContact O-N 2.82Å; A142-P146 WeakPolarHBondContact O-CD 3.28Å
143	C	69	Low	67.3	Low	33 Å²	33	56.4 Å²	56.4	22%	0.223	30%	0.299	C	S	.	.	H	α-helix	trans	-72.8	-46.6	172.8	178.4	0	0	0	0	111.9	C115 G139 Y140 M141 K145 P146	C115-C143 WeakPolarHBondContact CA-SG 3.46Å; C115-C143 HydrophobicContact CB-CB 3.9Å; C115-C143 WeakPolarHBondContact CB-SG 3.19Å; C115-C143 WeakPolarHBondContact SG-CB 3.37Å; C115-C143 CovalentContact SG-SG 2.04Å; C115-C143 PolarHBondContact SG-SG 3.4Å; G139-C143 PolarHBondContact O-N 3.33Å; Y140-C143 WeakPolarHBondContact O-CB 3.42Å; Y140-C143 PolarHBondContact O-N 2.85Å; M141-C143 VanDerWaalsContact C-N 3.31Å; M141-C143 PolarHBondContact O-N 3.43Å; C143-K145 PolarHBondContact O-N 3.36Å; C143-P146 VanDerWaalsContact O-CD 3.31Å; C143-P146 WeakPolarHBondContact O-CD 3.49Å; C143-P146 WeakPolarHBondContact O-CG 3.5Å
144	M	68.1	Low	66.2	Low	0 Å²	0	60.5 Å²	60.5	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-67.2	-36.5	-176.9	-73.8	-155.7	-44.9	0	0	113.1	E111 C115 Y140 M141 C147 I148 M166 I169	E111-M144 HydrophobicContact CG-SD 4Å; C115-M144 HydrophobicContact CB-CG 4.44Å; C115-M144 PolarHBondContact SG-N 3.29Å; C115-M144 VanDerWaalsContact SG-N 3.42Å; Y140-M144 HydrophobicContact CD1-CE 4.04Å; Y140-M144 HydrophobicContact CD1-CG 4.46Å; Y140-M144 HydrophobicContact CD1-SD 4.18Å; Y140-M144 HydrophobicContact CD2-CG 4.35Å; Y140-M144 HydrophobicContact CE1-CE 3.58Å; Y140-M144 HydrophobicContact CE1-CG 4.18Å; Y140-M144 HydrophobicContact CE1-SD 3.42Å; Y140-M144 WeakPolarHBondContact CE1-SD 3.29Å; Y140-M144 HydrophobicContact CE2-CG 4.03Å; Y140-M144 HydrophobicContact CE2-SD 3.96Å; Y140-M144 WeakPolarHBondContact O-CG 3.41Å; Y140-M144 PolarHBondContact O-N 2.97Å; Y140-M144 PolarHBondContact OH-SD 2.81Å; M141-M144 PolarHBondContact O-N 3.33Å; M141-M144 HydrophobicContact SD-CE 3.46Å; M141-M144 WeakPolarHBondContact SD-CE 3.3Å; M144-C147 WeakPolarHBondContact O-CB 3.38Å; M144-C147 PolarHBondContact O-N 2.95Å; M144-C147 VanDerWaalsContact O-N 3.12Å; M144-I148 HydrophobicContact CB-CD1 4.05Å; M144-I148 HydrophobicContact CE-CD1 4.5Å; M144-I148 WeakPolarHBondContact O-CB 3.21Å; M144-I148 PolarHBondContact O-N 2.88Å; M144-I148 HydrophobicContact SD-CD1 4.4Å; M144-M166 HydrophobicContact CB-CE 4.31Å; M144-M166 HydrophobicContact CE-CE 3.79Å; M144-M166 HydrophobicContact CE-SD 4.02Å; M144-I169 HydrophobicContact CE-CB 4.15Å; M144-I169 HydrophobicContact CE-CD1 3.3Å; M144-I169 HydrophobicContact CE-CG1 4.23Å; M144-I169 HydrophobicContact CE-CG2 3.67Å; M144-I169 HydrophobicContact SD-CD1 3.59Å; M144-I169 VanDerWaalsContact SD-CD1 3.59Å; M144-I169 HydrophobicContact SD-CG1 4.46Å; M144-I169 HydrophobicContact SD-CG2 4.02Å
145	K	67.8	Low	64.7	Low	110 Å²	110	61.2 Å²	61.2	48%	0.478	33%	0.326	S	S	.	.	H	α-helix	trans	-52.4	-56.9	-175.5	179.3	168.7	-173.1	-175.9	0	114.3	M141 C143 C147 N149 Y162	M141-K145 VanDerWaalsContact O-CB 3.26Å; M141-K145 WeakPolarHBondContact O-CB 3.33Å; M141-K145 PolarHBondContact O-N 3.26Å; C143-K145 PolarHBondContact O-N 3.36Å; K145-C147 VanDerWaalsContact C-N 3.31Å; K145-N149 PolarHBondContact O-N 3.42Å; K145-Y162 HydrophobicContact CB-CE2 4.16Å; K145-Y162 WeakPolarHBondContact CB-OH 3.46Å; K145-Y162 WeakPolarHBondContact CD-OH 3.44Å; K145-Y162 HydrophobicContact CG-CE2 3.8Å; K145-Y162 WeakPolarHBondContact CG-OH 3.33Å
146	P	63.9	Low	63.2	Low	77 Å²	77	59.6 Å²	59.6	50%	0.5	33%	0.332	S	S	.	.	H	α-helix	trans	-67.8	-31.5	176.5	27.5	-35.3	0	0	0	112.4	A142 C143 R150	A142-P146 WeakPolarHBondContact O-CD 3.28Å; C143-P146 VanDerWaalsContact O-CD 3.31Å; C143-P146 WeakPolarHBondContact O-CD 3.49Å; C143-P146 WeakPolarHBondContact O-CG 3.5Å; P146-R150 WeakPolarHBondContact O-CB 3.46Å; P146-R150 PolarHBondContact O-N 2.98Å
147	C	61.6	Low	61.9	Low	13 Å²	13	63.9 Å²	63.9	9%	0.088	35%	0.354	C	S	.	.	H	α-helix	trans	-65	-50.4	179.1	-177.4	0	0	0	0	111.7	C110 M144 K145 N149 R150 E151	C110-C147 WeakPolarHBondContact CA-SG 3.38Å; C110-C147 HydrophobicContact CB-CB 3.74Å; C110-C147 WeakPolarHBondContact CB-SG 3.37Å; C110-C147 WeakPolarHBondContact SG-CB 3.46Å; C110-C147 CovalentContact SG-SG 2.03Å; C110-C147 PolarHBondContact SG-SG 3.29Å; M144-C147 WeakPolarHBondContact O-CB 3.38Å; M144-C147 PolarHBondContact O-N 2.95Å; M144-C147 VanDerWaalsContact O-N 3.12Å; K145-C147 VanDerWaalsContact C-N 3.31Å; C147-N149 PolarHBondContact O-N 3.34Å; C147-R150 WeakPolarHBondContact O-CB 3.25Å; C147-R150 PolarHBondContact O-N 3.38Å; C147-E151 WeakPolarHBondContact O-CG 3.32Å; C147-E151 PolarHBondContact O-N 3Å
148	I	62.2	Low	60.7	Low	0 Å²	0	69.6 Å²	69.6	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-64.3	-42.2	179.6	-73.5	162.2	0	0	0	110.7	C110 M144 R150 E151 L152 Y162 I165 M166 I169	C110-I148 HydrophobicContact CB-CG1 4.22Å; C110-I148 PolarHBondContact SG-N 3.46Å; M144-I148 HydrophobicContact CB-CD1 4.05Å; M144-I148 HydrophobicContact CE-CD1 4.5Å; M144-I148 WeakPolarHBondContact O-CB 3.21Å; M144-I148 PolarHBondContact O-N 2.88Å; M144-I148 HydrophobicContact SD-CD1 4.4Å; I148-R150 VanDerWaalsContact C-N 3.3Å; I148-R150 PolarHBondContact O-N 3.02Å; I148-E151 PolarHBondContact O-N 3.43Å; I148-L152 HydrophobicContact CG2-CD1 3.37Å; I148-L152 HydrophobicContact CG2-CG 4.15Å; I148-L152 VanDerWaalsContact O-CB 3.25Å; I148-L152 WeakPolarHBondContact O-CB 3.44Å; I148-L152 WeakPolarHBondContact O-CD1 3.2Å; I148-L152 WeakPolarHBondContact O-CG 3.3Å; I148-L152 PolarHBondContact O-N 3.4Å; I148-Y162 HydrophobicContact CG2-CD2 4.27Å; I148-I165 HydrophobicContact CD1-CG2 3.74Å; I148-I165 HydrophobicContact CG1-CG2 4.47Å; I148-I165 HydrophobicContact CG2-CD1 4.12Å; I148-I165 HydrophobicContact CG2-CG2 4.09Å; I148-M166 HydrophobicContact CD1-CE 3.25Å; I148-I169 HydrophobicContact CD1-CD1 3.76Å
149	N	63.4	Low	59.3	Low	62 Å²	62	73.2 Å²	73.2	33%	0.332	39%	0.394	S	S	.	.	H	α-helix	trans	-59.4	-42.7	175.9	-76.6	-5.7	0	0	0	111.8	K145 C147 L152 E153 Y162	K145-N149 PolarHBondContact O-N 3.42Å; C147-N149 PolarHBondContact O-N 3.34Å; N149-L152 CarbonylContact O-C 3.48Å; N149-L152 PolarHBondContact O-N 2.97Å; N149-E153 WeakPolarHBondContact O-CG 3.37Å; N149-E153 PolarHBondContact O-N 3.45Å; N149-E153 VanDerWaalsContact O-N 3.14Å; N149-Y162 VanDerWaalsContact OD1-CD2 3.31Å; N149-Y162 WeakPolarHBondContact OD1-CD2 3.48Å
150	R	62.6	Low	58.1	Low	163 Å²	163	78.2 Å²	78.2	62%	0.615	42%	0.416	S	S	*	.	H	α-helix	trans	-64	-42.4	177.5	-175.7	-177.1	175.7	-161.2	-4	112.5	P146 C147 I148 L152	P146-R150 WeakPolarHBondContact O-CB 3.46Å; P146-R150 PolarHBondContact O-N 2.98Å; C147-R150 WeakPolarHBondContact O-CB 3.25Å; C147-R150 PolarHBondContact O-N 3.38Å; I148-R150 VanDerWaalsContact C-N 3.3Å; I148-R150 PolarHBondContact O-N 3.02Å; R150-L152 VanDerWaalsContact C-N 3.26Å; R150-L152 PolarHBondContact O-N 2.72Å
151	E	53.1	Low	57.2	Low	64 Å²	64	79.2 Å²	79.2	30%	0.299	42%	0.421	S	S	.	.	H	α-helix	trans	-70	-24.5	177	-67.7	-60	135.7	0	0	112.6	A106 H109 C147 I148	A106-E151 HydrophobicContact CB-CB 3.84Å; A106-E151 HydrophobicContact CB-CG 4.47Å; H109-E151 IonicContact CD2-OE1 3.67Å; C147-E151 WeakPolarHBondContact O-CG 3.32Å; C147-E151 PolarHBondContact O-N 3Å; I148-E151 PolarHBondContact O-N 3.43Å
152	L	54.9	Low	56.5	Low	20 Å²	20	79.5 Å²	79.5	11%	0.105	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	2.8	-178.6	-67.6	173	0	0	0	114.9	I148 N149 R150 S154 E155 L161 I165	I148-L152 HydrophobicContact CG2-CD1 3.37Å; I148-L152 HydrophobicContact CG2-CG 4.15Å; I148-L152 VanDerWaalsContact O-CB 3.25Å; I148-L152 WeakPolarHBondContact O-CB 3.44Å; I148-L152 WeakPolarHBondContact O-CD1 3.2Å; I148-L152 WeakPolarHBondContact O-CG 3.3Å; I148-L152 PolarHBondContact O-N 3.4Å; N149-L152 CarbonylContact O-C 3.48Å; N149-L152 PolarHBondContact O-N 2.97Å; R150-L152 VanDerWaalsContact C-N 3.26Å; R150-L152 PolarHBondContact O-N 2.72Å; L152-S154 PolarHBondContact O-N 3.05Å; L152-E155 PolarHBondContact O-N 3.29Å; L152-L161 HydrophobicContact CD1-CD2 3.72Å; L152-L161 HydrophobicContact CD2-CD2 3.49Å; L152-L161 VanDerWaalsContact CD2-CD2 3.49Å; L152-L161 HydrophobicContact CG-CD2 4.1Å; L152-I165 HydrophobicContact CD1-CD1 3.54Å; L152-I165 HydrophobicContact CD2-CD1 4.34Å; L152-I165 HydrophobicContact CG-CD1 4.45Å
153	E	51.3	Low	56	Low	149 Å²	149	78.8 Å²	78.8	70%	0.696	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-11.4	-177.8	-81.2	179.8	-177.3	0	0	114.2	N149	N149-E153 WeakPolarHBondContact O-CG 3.37Å; N149-E153 PolarHBondContact O-N 3.45Å; N149-E153 VanDerWaalsContact O-N 3.14Å
154	S	49.8	Very low	55.5	Low	112 Å²	112	79.8 Å²	79.8	78%	0.783	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-11.3	173.2	70.1	0	0	0	0	116.7	L152	L152-S154 PolarHBondContact O-N 3.05Å
155	E	44.4	Very low	55	Low	83 Å²	83	80 Å²	80	39%	0.388	42%	0.42	S	S	.	.			trans	-108.3	109.2	-178.6	-72.7	-162.3	173.7	0	0	112	K103 L152 D157 L161	K103-E155 WeakPolarHBondContact CE-OE2 3.36Å; K103-E155 IonicContact NZ-OE1 3.74Å; K103-E155 IonicContact NZ-OE2 2.78Å; K103-E155 PolarHBondContact NZ-OE2 3.3Å; L152-E155 PolarHBondContact O-N 3.29Å; E155-D157 PolarHBondContact O-N 3.47Å; E155-L161 HydrophobicContact CB-CD2 4.3Å; E155-L161 WeakPolarHBondContact OE2-CD2 3.5Å
156	S	45.7	Very low	54.8	Low	119 Å²	119	75.4 Å²	75.4	83%	0.832	40%	0.4	S	S	*	.	S	Bend	trans	-60.3	10.4	-175.7	55.8	0	0	0	0	117.3
157	D	46	Very low	54.7	Low	120 Å²	120	79.4 Å²	79.4	64%	0.642	41%	0.406	S	S	*	.			trans	-122.9	51.2	178.8	-75.7	-33.6	0	0	0	110.7	E155 H159 L161	E155-D157 PolarHBondContact O-N 3.47Å; D157-H159 VanDerWaalsContact C-N 3.28Å; D157-H159 PolarHBondContact O-N 2.85Å; D157-H159 VanDerWaalsContact O-N 3.07Å; D157-L161 PolarHBondContact O-N 2.7Å
158	E	47.1	Very low	54.7	Low	126 Å²	126	84.5 Å²	84.5	59%	0.589	42%	0.423	S	S	*	.	H	α-helix	trans	-52.5	-33.1	-167.1	-73.7	-177.7	142.4	0	0	115.5	Y162	E158-Y162 WeakPolarHBondContact O-CB 3.39Å; E158-Y162 PolarHBondContact O-N 3.4Å
159	H	47.7	Very low	54.6	Low	163 Å²	163	84.5 Å²	84.5	76%	0.755	42%	0.423	S	S	*	.	H	α-helix	trans	-85.7	-40.6	-170	-138.7	58.2	0	0	0	114.1	D157 S163	D157-H159 VanDerWaalsContact C-N 3.28Å; D157-H159 PolarHBondContact O-N 2.85Å; D157-H159 VanDerWaalsContact O-N 3.07Å; H159-S163 PolarHBondContact O-N 3.45Å
160	N	48.9	Very low	54.5	Low	127 Å²	127	84.5 Å²	84.5	68%	0.679	42%	0.421	S	S	*	.	H	α-helix	trans	-71.2	-38.1	179.8	-74.2	-24.6	0	0	0	110.8	S163 S164	N160-S163 PolarHBondContact O-OG 2.93Å; N160-S164 PolarHBondContact O-N 3.09Å
161	L	53.3	Low	54.1	Low	22 Å²	22	84.5 Å²	84.5	12%	0.115	42%	0.422	C	S	.	.	H	α-helix	trans	-61.8	-48.1	178.8	-133.3	-25	0	0	0	111.3	K103 L152 E155 D157 S163 S164 I165	K103-L161 HydrophobicContact CD-CD1 3.74Å; K103-L161 HydrophobicContact CG-CD1 4.38Å; L152-L161 HydrophobicContact CD1-CD2 3.72Å; L152-L161 HydrophobicContact CD2-CD2 3.49Å; L152-L161 VanDerWaalsContact CD2-CD2 3.49Å; L152-L161 HydrophobicContact CG-CD2 4.1Å; E155-L161 HydrophobicContact CB-CD2 4.3Å; E155-L161 WeakPolarHBondContact OE2-CD2 3.5Å; D157-L161 PolarHBondContact O-N 2.7Å; L161-S163 PolarHBondContact O-N 2.88Å; L161-S164 PolarHBondContact O-N 2.79Å; L161-I165 HydrophobicContact CD1-CD1 3.93Å; L161-I165 HydrophobicContact CD1-CG1 4.35Å; L161-I165 HydrophobicContact CD2-CD1 4.4Å; L161-I165 WeakPolarHBondContact O-CG1 3.09Å; L161-I165 PolarHBondContact O-N 2.78Å
162	Y	54.5	Low	54.4	Low	38 Å²	38	83.6 Å²	83.6	15%	0.149	42%	0.422	C	S	.	.	H	α-helix	trans	-58.1	-48.8	179.8	-179	-92.3	0	0	0	112.2	K145 I148 N149 E158 S164 I165 M166	K145-Y162 HydrophobicContact CB-CE2 4.16Å; K145-Y162 WeakPolarHBondContact CB-OH 3.46Å; K145-Y162 WeakPolarHBondContact CD-OH 3.44Å; K145-Y162 HydrophobicContact CG-CE2 3.8Å; K145-Y162 WeakPolarHBondContact CG-OH 3.33Å; I148-Y162 HydrophobicContact CG2-CD2 4.27Å; N149-Y162 VanDerWaalsContact OD1-CD2 3.31Å; N149-Y162 WeakPolarHBondContact OD1-CD2 3.48Å; E158-Y162 WeakPolarHBondContact O-CB 3.39Å; E158-Y162 PolarHBondContact O-N 3.4Å; Y162-S164 VanDerWaalsContact C-N 3.28Å; Y162-S164 PolarHBondContact O-N 3.4Å; Y162-I165 PolarHBondContact O-N 3.27Å; Y162-I165 VanDerWaalsContact O-N 3.15Å; Y162-M166 HydrophobicContact CD1-CG 3.92Å; Y162-M166 HydrophobicContact CD2-CE 4.35Å; Y162-M166 HydrophobicContact CE1-CE 4.46Å; Y162-M166 HydrophobicContact CE1-CG 3.38Å; Y162-M166 HydrophobicContact CE1-SD 4.15Å; Y162-M166 HydrophobicContact CE2-CE 3.56Å; Y162-M166 HydrophobicContact CE2-CG 4.13Å; Y162-M166 HydrophobicContact CE2-SD 4.26Å; Y162-M166 HydrophobicContact CG-CG 4.47Å; Y162-M166 VanDerWaalsContact CZ-CG 3.48Å; Y162-M166 WeakPolarHBondContact O-CG 3.47Å; Y162-M166 PolarHBondContact O-N 3.25Å; Y162-M166 WeakPolarHBondContact OH-CE 3.49Å; Y162-M166 PolarHBondContact OH-SD 2.97Å
163	S	60.5	Low	54.4	Low	54 Å²	54	82.9 Å²	82.9	38%	0.378	42%	0.419	S	S	.	.	H	α-helix	trans	-62.2	-36	179.9	71.8	0	0	0	0	112.6	H159 N160 L161 R167	H159-S163 PolarHBondContact O-N 3.45Å; N160-S163 PolarHBondContact O-OG 2.93Å; L161-S163 PolarHBondContact O-N 2.88Å; S163-R167 WeakPolarHBondContact O-CG 3.16Å; S163-R167 PolarHBondContact O-N 3.06Å
164	S	59.4	Low	54.6	Low	54 Å²	54	79.9 Å²	79.9	38%	0.378	41%	0.407	S	S	.	.	H	α-helix	trans	-69.7	-36.6	176.3	-174.1	0	0	0	0	112.1	N160 L161 Y162 R168	N160-S164 PolarHBondContact O-N 3.09Å; L161-S164 PolarHBondContact O-N 2.79Å; Y162-S164 VanDerWaalsContact C-N 3.28Å; Y162-S164 PolarHBondContact O-N 3.4Å; S164-R168 WeakPolarHBondContact O-CG 3.36Å; S164-R168 PolarHBondContact O-N 3.29Å; S164-R168 VanDerWaalsContact O-N 3.15Å
165	I	57.9	Low	54.7	Low	3 Å²	3	78.4 Å²	78.4	2%	0.015	39%	0.394	C	S	.	.	H	α-helix	trans	-69.5	-46.9	178.8	-75.6	168.1	0	0	0	110.5	I107 I148 L152 L161 Y162 R167 R168 I169	I107-I165 HydrophobicContact CD1-CB 4.25Å; I107-I165 HydrophobicContact CD1-CG1 4.17Å; I107-I165 HydrophobicContact CD1-CG2 3.54Å; I107-I165 HydrophobicContact CG1-CG2 3.49Å; I107-I165 VanDerWaalsContact CG1-CG2 3.49Å; I148-I165 HydrophobicContact CD1-CG2 3.74Å; I148-I165 HydrophobicContact CG1-CG2 4.47Å; I148-I165 HydrophobicContact CG2-CD1 4.12Å; I148-I165 HydrophobicContact CG2-CG2 4.09Å; L152-I165 HydrophobicContact CD1-CD1 3.54Å; L152-I165 HydrophobicContact CD2-CD1 4.34Å; L152-I165 HydrophobicContact CG-CD1 4.45Å; L161-I165 HydrophobicContact CD1-CD1 3.93Å; L161-I165 HydrophobicContact CD1-CG1 4.35Å; L161-I165 HydrophobicContact CD2-CD1 4.4Å; L161-I165 WeakPolarHBondContact O-CG1 3.09Å; L161-I165 PolarHBondContact O-N 2.78Å; Y162-I165 PolarHBondContact O-N 3.27Å; Y162-I165 VanDerWaalsContact O-N 3.15Å; I165-R167 VanDerWaalsContact C-N 3.3Å; I165-R167 PolarHBondContact O-N 3.43Å; I165-R168 WeakPolarHBondContact O-CA 3.12Å; I165-R168 WeakPolarHBondContact O-CB 3.29Å; I165-R168 PolarHBondContact O-N 3.02Å; I165-I169 HydrophobicContact CG2-CD1 3.78Å; I165-I169 WeakPolarHBondContact O-CG1 3.32Å; I165-I169 PolarHBondContact O-N 2.98Å
166	M	62.2	Low	54.8	Low	14 Å²	14	78.5 Å²	78.5	7%	0.069	39%	0.394	C	S	.	.	H	α-helix	trans	-57.5	-43.8	176.6	-70.2	-68.2	123.8	0	0	111.9	M141 M144 I148 Y162 R168 I169 E170	M141-M166 HydrophobicContact CE-CB 4.14Å; M141-M166 HydrophobicContact CE-CG 4.22Å; M141-M166 HydrophobicContact CE-SD 3.35Å; M141-M166 WeakPolarHBondContact CE-SD 3.19Å; M141-M166 HydrophobicContact SD-SD 3.62Å; M141-M166 VanDerWaalsContact SD-SD 3.62Å; M144-M166 HydrophobicContact CB-CE 4.31Å; M144-M166 HydrophobicContact CE-CE 3.79Å; M144-M166 HydrophobicContact CE-SD 4.02Å; I148-M166 HydrophobicContact CD1-CE 3.25Å; Y162-M166 HydrophobicContact CD1-CG 3.92Å; Y162-M166 HydrophobicContact CD2-CE 4.35Å; Y162-M166 HydrophobicContact CE1-CE 4.46Å; Y162-M166 HydrophobicContact CE1-CG 3.38Å; Y162-M166 HydrophobicContact CE1-SD 4.15Å; Y162-M166 HydrophobicContact CE2-CE 3.56Å; Y162-M166 HydrophobicContact CE2-CG 4.13Å; Y162-M166 HydrophobicContact CE2-SD 4.26Å; Y162-M166 HydrophobicContact CG-CG 4.47Å; Y162-M166 VanDerWaalsContact CZ-CG 3.48Å; Y162-M166 WeakPolarHBondContact O-CG 3.47Å; Y162-M166 PolarHBondContact O-N 3.25Å; Y162-M166 WeakPolarHBondContact OH-CE 3.49Å; Y162-M166 PolarHBondContact OH-SD 2.97Å; M166-R168 VanDerWaalsContact C-N 3.3Å; M166-R168 PolarHBondContact O-N 3.02Å; M166-I169 HydrophobicContact CE-CD1 4.08Å; M166-I169 PolarHBondContact O-N 3.43Å; M166-E170 WeakPolarHBondContact O-CG 3.41Å; M166-E170 PolarHBondContact O-N 2.84Å
167	R	61.9	Low	54.9	Low	162 Å²	162	74.3 Å²	74.3	61%	0.611	36%	0.364	S	S	*	.	H	α-helix	trans	-60.4	-39.1	173.9	-78.1	-176.9	-176.8	164.3	2.7	112.4	S163 I165 I169 E170 Y171	S163-R167 WeakPolarHBondContact O-CG 3.16Å; S163-R167 PolarHBondContact O-N 3.06Å; I165-R167 VanDerWaalsContact C-N 3.3Å; I165-R167 PolarHBondContact O-N 3.43Å; R167-I169 VanDerWaalsContact C-N 3.31Å; R167-E170 PolarHBondContact O-N 3.45Å; R167-Y171 WeakPolarHBondContact O-CD2 3.4Å; R167-Y171 PolarHBondContact O-N 3.13Å
168	R	61.6	Low	54.9	Low	120 Å²	120	73.4 Å²	73.4	45%	0.453	36%	0.362	S	S	.	.	H	α-helix	trans	-64.5	-38.6	177.4	-77.7	-179.3	-178.9	-160.3	1.1	111.9	N104 S164 I165 M166 Y171 S172	N104-R168 PolarHBondContact OD1-NH1 3.44Å; S164-R168 WeakPolarHBondContact O-CG 3.36Å; S164-R168 PolarHBondContact O-N 3.29Å; S164-R168 VanDerWaalsContact O-N 3.15Å; I165-R168 WeakPolarHBondContact O-CA 3.12Å; I165-R168 WeakPolarHBondContact O-CB 3.29Å; I165-R168 PolarHBondContact O-N 3.02Å; M166-R168 VanDerWaalsContact C-N 3.3Å; M166-R168 PolarHBondContact O-N 3.02Å; R168-Y171 PolarHBondContact O-N 3.29Å; R168-S172 PolarHBondContact O-N 2.92Å; R168-S172 PolarHBondContact O-OG 3.45Å
169	I	61.2	Low	54.6	Low	0 Å²	0	75 Å²	75	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-67.9	-43.2	178.9	-61.9	162.4	0	0	0	110.3	I107 E111 Y140 M144 I148 I165 M166 R167 Y171 S172 M173	I107-I169 HydrophobicContact CD1-CD1 4.46Å; I107-I169 HydrophobicContact CD1-CG1 4.29Å; I107-I169 HydrophobicContact CG1-CD1 4.23Å; I107-I169 HydrophobicContact CG1-CG1 4.48Å; I107-I169 HydrophobicContact CG2-CD1 3.71Å; I107-I169 HydrophobicContact CG2-CG1 3.56Å; E111-I169 WeakPolarHBondContact OE1-CG2 3.26Å; Y140-I169 HydrophobicContact CE1-CG2 3.74Å; M144-I169 HydrophobicContact CE-CB 4.15Å; M144-I169 HydrophobicContact CE-CD1 3.3Å; M144-I169 HydrophobicContact CE-CG1 4.23Å; M144-I169 HydrophobicContact CE-CG2 3.67Å; M144-I169 HydrophobicContact SD-CD1 3.59Å; M144-I169 VanDerWaalsContact SD-CD1 3.59Å; M144-I169 HydrophobicContact SD-CG1 4.46Å; M144-I169 HydrophobicContact SD-CG2 4.02Å; I148-I169 HydrophobicContact CD1-CD1 3.76Å; I165-I169 HydrophobicContact CG2-CD1 3.78Å; I165-I169 WeakPolarHBondContact O-CG1 3.32Å; I165-I169 PolarHBondContact O-N 2.98Å; M166-I169 HydrophobicContact CE-CD1 4.08Å; M166-I169 PolarHBondContact O-N 3.43Å; R167-I169 VanDerWaalsContact C-N 3.31Å; I169-Y171 VanDerWaalsContact C-N 3.32Å; I169-Y171 PolarHBondContact O-N 2.83Å; I169-S172 WeakPolarHBondContact CA-OG 3.3Å; I169-S172 PolarHBondContact O-N 3.29Å; I169-S172 PolarHBondContact O-OG 3.02Å; I169-M173 HydrophobicContact CG2-CE 4.05Å; I169-M173 WeakPolarHBondContact O-CE 3.44Å; I169-M173 PolarHBondContact O-N 3.37Å
170	E	60.3	Low	54.2	Low	61 Å²	61	75.2 Å²	75.2	29%	0.285	37%	0.368	S	S	.	.	H	α-helix	trans	-53.1	-50.3	169.4	-73	176.8	159.6	0	0	110.9	R130 W137 M166 R167 S172 D174	R130-E170 IonicContact NH1-OE1 3.13Å; R130-E170 PolarHBondContact NH1-OE1 2.89Å; R130-E170 VanDerWaalsContact NH1-OE1 3.13Å; W137-E170 HydrophobicContact CH2-CG 3.94Å; W137-E170 HydrophobicContact CZ2-CG 3.6Å; M166-E170 WeakPolarHBondContact O-CG 3.41Å; M166-E170 PolarHBondContact O-N 2.84Å; R167-E170 PolarHBondContact O-N 3.45Å; E170-S172 PolarHBondContact O-N 3.01Å; E170-D174 PolarHBondContact O-N 3.47Å
171	Y	55.3	Low	53.7	Low	164 Å²	164	79 Å²	79	64%	0.643	39%	0.387	S	S	*	.	H	α-helix	trans	-64.3	-36.6	178.3	-80.7	-64	0	0	0	114.4	R167 R168 I169 V175	R167-Y171 WeakPolarHBondContact O-CD2 3.4Å; R167-Y171 PolarHBondContact O-N 3.13Å; R168-Y171 PolarHBondContact O-N 3.29Å; I169-Y171 VanDerWaalsContact C-N 3.32Å; I169-Y171 PolarHBondContact O-N 2.83Å; Y171-V175 VanDerWaalsContact O-CG2 3.28Å; Y171-V175 WeakPolarHBondContact O-CG2 3.2Å; Y171-V175 PolarHBondContact O-N 2.96Å; Y171-V175 VanDerWaalsContact O-N 3.15Å
172	S	58	Low	53.8	Low	44 Å²	44	81.9 Å²	81.9	31%	0.308	40%	0.401	S	S	.	.	H	α-helix	trans	-70.6	-41.2	-175.7	51.1	0	0	0	0	112.4	R168 I169 E170 V175 E176	R168-S172 PolarHBondContact O-N 2.92Å; R168-S172 PolarHBondContact O-OG 3.45Å; I169-S172 WeakPolarHBondContact CA-OG 3.3Å; I169-S172 PolarHBondContact O-N 3.29Å; I169-S172 PolarHBondContact O-OG 3.02Å; E170-S172 PolarHBondContact O-N 3.01Å; S172-V175 PolarHBondContact O-N 3.27Å; S172-E176 WeakPolarHBondContact O-CG 3.38Å; S172-E176 PolarHBondContact O-N 3.21Å
173	M	54.9	Low	53.7	Low	5 Å²	5	84.2 Å²	84.2	3%	0.025	41%	0.414	C	S	.	.	H	α-helix	trans	-72.5	-34.1	176.9	-53.8	163.8	-63.5	0	0	112	W137 Y140 I169 V175 E176 T177	W137-M173 HydrophobicContact CE3-CE 4.02Å; W137-M173 HydrophobicContact CE3-SD 4.41Å; W137-M173 HydrophobicContact CH2-CE 3.13Å; W137-M173 HydrophobicContact CH2-SD 4.31Å; W137-M173 HydrophobicContact CZ2-CE 4.36Å; W137-M173 HydrophobicContact CZ3-CE 2.93Å; W137-M173 HydrophobicContact CZ3-SD 3.56Å; W137-M173 VanDerWaalsContact CZ3-SD 3.56Å; Y140-M173 HydrophobicContact CE1-SD 4.03Å; I169-M173 HydrophobicContact CG2-CE 4.05Å; I169-M173 WeakPolarHBondContact O-CE 3.44Å; I169-M173 PolarHBondContact O-N 3.37Å; M173-V175 PolarHBondContact O-N 3.35Å; M173-E176 PolarHBondContact O-N 3.18Å; M173-T177 WeakPolarHBondContact O-CB 3.4Å; M173-T177 WeakPolarHBondContact O-CG2 3.42Å; M173-T177 PolarHBondContact O-N 3.38Å; M173-T177 PolarHBondContact O-OG1 3.46Å
174	D	55.4	Low	53.3	Low	86 Å²	86	85.8 Å²	85.8	46%	0.46	42%	0.416	S	S	.	.	H	α-helix	trans	-59.2	-34.3	172.1	-78	-10.5	0	0	0	111.3	E170 T177 V178	E170-D174 PolarHBondContact O-N 3.47Å; D174-T177 PolarHBondContact O-OG1 3.18Å; D174-V178 VanDerWaalsContact O-CG2 3.25Å; D174-V178 WeakPolarHBondContact O-CG2 3.33Å; D174-V178 PolarHBondContact O-N 3.11Å
175	V	51.7	Low	53	Low	82 Å²	82	87.7 Å²	87.7	50%	0.497	42%	0.419	S	S	.	.	H	α-helix	trans	-80.5	-41.7	178.8	173.4	0	0	0	0	112.7	Y171 S172 M173 T177 V178 Q179	Y171-V175 VanDerWaalsContact O-CG2 3.28Å; Y171-V175 WeakPolarHBondContact O-CG2 3.2Å; Y171-V175 PolarHBondContact O-N 2.96Å; Y171-V175 VanDerWaalsContact O-N 3.15Å; S172-V175 PolarHBondContact O-N 3.27Å; M173-V175 PolarHBondContact O-N 3.35Å; V175-T177 PolarHBondContact O-N 3.33Å; V175-V178 PolarHBondContact O-N 3.42Å; V175-Q179 PolarHBondContact O-N 3.48Å
176	E	47.7	Very low	52.7	Low	85 Å²	85	93 Å²	93	40%	0.397	44%	0.444	S	S	.	.	H	α-helix	trans	-61.9	-28	178.9	-76.1	-176.8	169.9	0	0	112.6	Y119 S172 M173	Y119-E176 PolarHBondContact OH-OE2 2.78Å; S172-E176 WeakPolarHBondContact O-CG 3.38Å; S172-E176 PolarHBondContact O-N 3.21Å; M173-E176 PolarHBondContact O-N 3.18Å
177	T	47.1	Very low	52	Low	31 Å²	31	98.3 Å²	98.3	19%	0.19	47%	0.469	C	S	.	.	H	α-helix	trans	-80.8	-37.7	179.1	56	0	0	0	0	111.9	N127 M173 D174 V175 Q179 K180	N127-T177 VanDerWaalsContact C-CG2 3.45Å; N127-T177 WeakPolarHBondContact O-CG2 3.28Å; M173-T177 WeakPolarHBondContact O-CB 3.4Å; M173-T177 WeakPolarHBondContact O-CG2 3.42Å; M173-T177 PolarHBondContact O-N 3.38Å; M173-T177 PolarHBondContact O-OG1 3.46Å; D174-T177 PolarHBondContact O-OG1 3.18Å; V175-T177 PolarHBondContact O-N 3.33Å; T177-Q179 VanDerWaalsContact C-N 3.27Å; T177-Q179 PolarHBondContact O-N 3Å; T177-K180 PolarHBondContact O-N 3.39Å
178	V	45.5	Very low	51.3	Low	101 Å²	101	93.7 Å²	93.7	61%	0.612	46%	0.459	S	S	*	.	H	α-helix	trans	-64	-31.3	172.8	174.6	0	0	0	0	111.9	D174 V175	D174-V178 VanDerWaalsContact O-CG2 3.25Å; D174-V178 WeakPolarHBondContact O-CG2 3.33Å; D174-V178 PolarHBondContact O-N 3.11Å; V175-V178 PolarHBondContact O-N 3.42Å
179	Q	41.3	Very low	50.6	Low	160 Å²	160	91.7 Å²	91.7	75%	0.748	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-16.5	176.8	-76.3	-171.6	-9.9	0	0	114.7	V175 T177	V175-Q179 PolarHBondContact O-N 3.48Å; T177-Q179 VanDerWaalsContact C-N 3.27Å; T177-Q179 PolarHBondContact O-N 3Å
180	K	39.5	Very low	49.7	Very low	167 Å²	167	99.3 Å²	99.3	73%	0.726	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-10	175.5	-77.3	-178.6	179.3	174.2	0	113.5	T177	T177-K180 PolarHBondContact O-N 3.39Å
181	L	39.3	Very low	48.7	Very low	206 Å²	206	102.8 Å²	102.8	100%	1.079	52%	0.517	S	S	*	.			trans	-88	0	172.6	-85	151	0	0	0	111.5

Retrieved 181 of 181 residues in 76.4 ms (Link to these results)

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