A0A077ZGV3_TRITR Loading...

Transgly domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZGV3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 180 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	64.5	Low	85.1	Confident	193 Å²	193	85.6 Å²	85.6	95%	0.951	51%	0.51	S	S	*	.				0	-55.1	0	-65	-50	-74.6	0	0	112.8	V3 L4 A5	M1-V3 PolarHBondContact O-N 3.16Å; M1-L4 PolarHBondContact O-N 3.13Å; M1-A5 PolarHBondContact O-N 3.47Å; M1-A5 VanDerWaalsContact O-N 3.14Å
2	V	74.8	Confident	86.1	Confident	114 Å²	114	79.5 Å²	79.5	69%	0.691	47%	0.472	S	S	*	.	H	α-helix	trans	-58	-45.2	-178.1	-179.2	0	0	0	0	113.2	L4 A5 V6	V2-L4 PolarHBondContact O-N 3.27Å; V2-A5 PolarHBondContact O-N 3.5Å; V2-V6 HydrophobicContact CG1-CG2 4.22Å; V2-V6 WeakPolarHBondContact O-CG2 3.26Å; V2-V6 PolarHBondContact O-N 2.97Å
3	V	80	Confident	86.9	Confident	120 Å²	120	77.6 Å²	77.6	73%	0.727	47%	0.471	S	S	*	.	H	α-helix	trans	-59.3	-44	-179.4	179	0	0	0	0	112.4	M1 V6 F7	M1-V3 PolarHBondContact O-N 3.16Å; V3-V6 PolarHBondContact O-N 3.09Å; V3-F7 WeakPolarHBondContact O-CB 3.4Å; V3-F7 PolarHBondContact O-N 3.29Å
4	L	82.7	Confident	87.7	Confident	86 Å²	86	79.1 Å²	79.1	45%	0.45	47%	0.474	S	S	.	.	H	α-helix	trans	-67.3	-39.5	178.2	-69	175.1	0	0	0	111.7	M1 V2 F7 W8	M1-L4 PolarHBondContact O-N 3.13Å; V2-L4 PolarHBondContact O-N 3.27Å; L4-F7 PolarHBondContact O-N 3.37Å; L4-W8 HydrophobicContact CB-CE3 4.28Å; L4-W8 HydrophobicContact CB-CH2 4.42Å; L4-W8 HydrophobicContact CB-CZ3 4.18Å; L4-W8 HydrophobicContact CD1-CH2 4.35Å; L4-W8 HydrophobicContact CD2-CZ2 4.49Å; L4-W8 WeakPolarHBondContact O-CB 3.48Å; L4-W8 PolarHBondContact O-N 3.07Å
5	A	79.7	Confident	88.3	Confident	62 Å²	62	75.7 Å²	75.7	51%	0.512	45%	0.451	S	S	.	.	H	α-helix	trans	-64.6	-40.4	176.2	0	0	0	0	0	111.9	M1 V2 G9	M1-A5 PolarHBondContact O-N 3.47Å; M1-A5 VanDerWaalsContact O-N 3.14Å; V2-A5 PolarHBondContact O-N 3.5Å; A5-G9 WeakPolarHBondContact O-CA 3.43Å; A5-G9 PolarHBondContact O-N 3.17Å
6	V	83.1	Confident	88.9	Confident	100 Å²	100	72.9 Å²	72.9	61%	0.606	44%	0.436	S	S	*	.	H	α-helix	trans	-66.3	-43.6	174.6	172.3	0	0	0	0	110.9	V2 V3 G10	V2-V6 HydrophobicContact CG1-CG2 4.22Å; V2-V6 WeakPolarHBondContact O-CG2 3.26Å; V2-V6 PolarHBondContact O-N 2.97Å; V3-V6 PolarHBondContact O-N 3.09Å; V6-G10 WeakPolarHBondContact O-CA 3.48Å; V6-G10 PolarHBondContact O-N 3.23Å
7	F	91.1	Very high	89.2	Confident	131 Å²	131	75.5 Å²	75.5	58%	0.575	45%	0.452	S	S	*	.	H	α-helix	trans	-62.3	-51.6	178.3	177.8	-101.4	0	0	0	111.8	V3 L4 G11	V3-F7 WeakPolarHBondContact O-CB 3.4Å; V3-F7 PolarHBondContact O-N 3.29Å; L4-F7 PolarHBondContact O-N 3.37Å; F7-G11 PolarHBondContact O-N 2.91Å
8	W	93.5	Very high	89.6	Confident	47 Å²	47	72.8 Å²	72.8	18%	0.178	44%	0.439	C	S	.	.	H	α-helix	trans	-70.7	-44.6	179.7	-69.5	-32	0	0	0	112.6	L4 G11 I12 F109 L110 L121 L125	L4-W8 HydrophobicContact CB-CE3 4.28Å; L4-W8 HydrophobicContact CB-CH2 4.42Å; L4-W8 HydrophobicContact CB-CZ3 4.18Å; L4-W8 HydrophobicContact CD1-CH2 4.35Å; L4-W8 HydrophobicContact CD2-CZ2 4.49Å; L4-W8 WeakPolarHBondContact O-CB 3.48Å; L4-W8 PolarHBondContact O-N 3.07Å; W8-G11 PolarHBondContact O-N 3.32Å; W8-I12 WeakPolarHBondContact O-CB 3.39Å; W8-I12 VanDerWaalsContact O-CG1 3.23Å; W8-I12 WeakPolarHBondContact O-CG1 3.49Å; W8-I12 PolarHBondContact O-N 3.11Å; W8-F109 AromaticContact CD1-CD1 4Å; W8-L110 HydrophobicContact CZ2-CD2 4.2Å; W8-L121 HydrophobicContact CH2-CD1 3.88Å; W8-L121 HydrophobicContact CH2-CD2 3.63Å; W8-L121 HydrophobicContact CH2-CG 4.22Å; W8-L121 HydrophobicContact CZ2-CD1 4.4Å; W8-L121 HydrophobicContact CZ3-CD2 3.86Å; W8-L125 HydrophobicContact CB-CD2 3.64Å; W8-L125 HydrophobicContact CD2-CD2 3.89Å; W8-L125 HydrophobicContact CE3-CD2 4.32Å; W8-L125 HydrophobicContact CG-CD2 3.59Å
9	G	94.7	Very high	90	Very high	39 Å²	39	72.9 Å²	72.9	40%	0.402	44%	0.442	S	S	.	.	H	α-helix	trans	-63.4	-44.4	177.5	0	0	0	0	0	112.2	A5 I12 A13	A5-G9 WeakPolarHBondContact O-CA 3.43Å; A5-G9 PolarHBondContact O-N 3.17Å; G9-I12 PolarHBondContact O-N 2.92Å; G9-A13 WeakPolarHBondContact O-CB 3.48Å; G9-A13 PolarHBondContact O-N 3.19Å
10	G	95.6	Very high	90.3	Very high	40 Å²	40	69.5 Å²	69.5	41%	0.412	42%	0.421	S	S	.	.	H	α-helix	trans	-64.2	-41.1	174.3	0	0	0	0	0	112.5	V6 A13 L14	V6-G10 WeakPolarHBondContact O-CA 3.48Å; V6-G10 PolarHBondContact O-N 3.23Å; G10-A13 PolarHBondContact O-N 3.31Å; G10-L14 VanDerWaalsContact O-CB 3.23Å; G10-L14 WeakPolarHBondContact O-CB 3.16Å; G10-L14 PolarHBondContact O-N 3.44Å
11	G	96.3	Very high	90.3	Very high	10 Å²	10	70.3 Å²	70.3	10%	0.103	43%	0.428	C	S	.	.	H	α-helix	trans	-63.2	-44.8	174	0	0	0	0	0	112.9	F7 W8 L14 F15	F7-G11 PolarHBondContact O-N 2.91Å; W8-G11 PolarHBondContact O-N 3.32Å; G11-L14 PolarHBondContact O-N 3.27Å; G11-F15 WeakPolarHBondContact O-CB 3.49Å; G11-F15 WeakPolarHBondContact O-CD2 3.4Å; G11-F15 WeakPolarHBondContact O-CG 3.25Å; G11-F15 PolarHBondContact O-N 3.32Å
12	I	97.4	Very high	91.6	Very high	12 Å²	12	67.1 Å²	67.1	6%	0.062	41%	0.409	C	S	.	.	H	α-helix	trans	-60.9	-46.9	174.6	-70.4	168.2	0	0	0	109.8	W8 G9 S16 F109 L125 I129 V132 W133	W8-I12 WeakPolarHBondContact O-CB 3.39Å; W8-I12 VanDerWaalsContact O-CG1 3.23Å; W8-I12 WeakPolarHBondContact O-CG1 3.49Å; W8-I12 PolarHBondContact O-N 3.11Å; G9-I12 PolarHBondContact O-N 2.92Å; I12-S16 PolarHBondContact O-N 2.83Å; I12-F109 HydrophobicContact CG1-CE2 3.73Å; I12-F109 HydrophobicContact CG1-CZ 3.8Å; I12-L125 HydrophobicContact CD1-CD2 4.07Å; I12-I129 HydrophobicContact CD1-CG1 4.25Å; I12-I129 HydrophobicContact CG1-CG1 4.02Å; I12-V132 HydrophobicContact CG2-CB 3.95Å; I12-V132 HydrophobicContact CG2-CG1 4.35Å; I12-V132 HydrophobicContact CG2-CG2 3.99Å; I12-W133 PolarHBondContact O-NE1 3.25Å
13	A	97.1	Very high	92.5	Very high	55 Å²	55	61.7 Å²	61.7	46%	0.455	38%	0.376	S	S	.	.	H	α-helix	trans	-62.4	-47.7	178.4	0	0	0	0	0	112	G9 G10 S16	G9-A13 WeakPolarHBondContact O-CB 3.48Å; G9-A13 PolarHBondContact O-N 3.19Å; G10-A13 PolarHBondContact O-N 3.31Å; A13-S16 WeakPolarHBondContact O-CB 3.2Å; A13-S16 PolarHBondContact O-N 3.45Å; A13-S16 PolarHBondContact O-OG 3.1Å
14	L	97.2	Very high	93.2	Very high	98 Å²	98	57.4 Å²	57.4	51%	0.513	35%	0.353	S	S	.	.	H	α-helix	trans	-62.1	-52.2	-179.8	178.2	61.8	0	0	0	111.8	G10 G11 S16 V17 A18	G10-L14 VanDerWaalsContact O-CB 3.23Å; G10-L14 WeakPolarHBondContact O-CB 3.16Å; G10-L14 PolarHBondContact O-N 3.44Å; G11-L14 PolarHBondContact O-N 3.27Å; L14-S16 PolarHBondContact O-N 2.87Å; L14-V17 PolarHBondContact O-N 3.44Å; L14-A18 HydrophobicContact CD1-CB 3.97Å; L14-A18 HydrophobicContact CG-CB 4.29Å; L14-A18 WeakPolarHBondContact O-CB 3.25Å; L14-A18 PolarHBondContact O-N 2.92Å
15	F	97.3	Very high	93.7	Very high	29 Å²	29	53.5 Å²	53.5	13%	0.127	33%	0.333	C	S	.	.	H	α-helix	trans	-79.5	4.7	-177.3	-58.1	-46.3	0	0	0	113.4	G11 V17 V20 L108 F109 W133 R137	G11-F15 WeakPolarHBondContact O-CB 3.49Å; G11-F15 WeakPolarHBondContact O-CD2 3.4Å; G11-F15 WeakPolarHBondContact O-CG 3.25Å; G11-F15 PolarHBondContact O-N 3.32Å; F15-V17 PolarHBondContact O-N 3.31Å; F15-V20 HydrophobicContact CB-CG2 3.95Å; F15-V20 HydrophobicContact CD1-CB 4.48Å; F15-V20 HydrophobicContact CD1-CG2 3.79Å; F15-V20 HydrophobicContact CD2-CG2 4.45Å; F15-V20 HydrophobicContact CE1-CG2 4.41Å; F15-V20 HydrophobicContact CG-CG2 3.83Å; F15-L108 HydrophobicContact CD2-CD1 4.32Å; F15-L108 HydrophobicContact CD2-CD2 4.07Å; F15-L108 HydrophobicContact CE2-CD1 4.38Å; F15-F109 HydrophobicContact CD2-CE1 4.34Å; F15-F109 HydrophobicContact CD2-CZ 4.25Å; F15-W133 VanDerWaalsContact C-CZ2 3.5Å; F15-W133 HydrophobicContact CB-CH2 3.95Å; F15-W133 HydrophobicContact CB-CZ2 3.66Å; F15-W133 WeakPolarHBondContact O-CZ2 3.22Å; F15-R137 PolarHBondContact O-NE 3.21Å; F15-R137 PolarHBondContact O-NH2 2.7Å
16	S	97	Very high	94.4	Very high	31 Å²	31	50.9 Å²	50.9	22%	0.217	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-26.9	163.9	75.3	0	0	0	0	112	I12 A13 L14 W133 R137	I12-S16 PolarHBondContact O-N 2.83Å; A13-S16 WeakPolarHBondContact O-CB 3.2Å; A13-S16 PolarHBondContact O-N 3.45Å; A13-S16 PolarHBondContact O-OG 3.1Å; L14-S16 PolarHBondContact O-N 2.87Å; S16-W133 VanDerWaalsContact CA-NE1 3.31Å; S16-W133 VanDerWaalsContact CB-NE1 3.33Å; S16-R137 VanDerWaalsContact O-CD 3.3Å; S16-R137 WeakPolarHBondContact O-CD 3.47Å; S16-R137 WeakPolarHBondContact O-CG 3.46Å; S16-R137 PolarHBondContact O-NE 3.16Å
17	V	95.4	Very high	94.9	Very high	116 Å²	116	49.5 Å²	49.5	70%	0.703	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129	-37.3	-175.1	-66.2	0	0	0	0	113.5	L14 F15	L14-V17 PolarHBondContact O-N 3.44Å; F15-V17 PolarHBondContact O-N 3.31Å
18	A	96.5	Very high	95	Very high	27 Å²	27	46 Å²	46	22%	0.223	29%	0.287	C	S	.	.	S	Bend	trans	-84.3	145.5	-175.3	0	0	0	0	0	112.2	L14 R137	L14-A18 HydrophobicContact CD1-CB 3.97Å; L14-A18 HydrophobicContact CG-CB 4.29Å; L14-A18 WeakPolarHBondContact O-CB 3.25Å; L14-A18 PolarHBondContact O-N 2.92Å; A18-R137 PolarHBondContact O-NH2 3.09Å
19	P	96.4	Very high	94.9	Very high	76 Å²	76	47.1 Å²	47.1	49%	0.494	29%	0.292	S	S	.	.			trans	-49.1	145.4	167.9	-28.4	37	0	0	0	112.5	P21 W47	P19-P21 VanDerWaalsContact O-CD 3.3Å; P19-P21 WeakPolarHBondContact O-CD 3.45Å; P19-W47 HydrophobicContact CB-CB 4.48Å; P19-W47 HydrophobicContact CB-CD2 3.8Å; P19-W47 HydrophobicContact CB-CE3 4.47Å; P19-W47 HydrophobicContact CB-CG 3.74Å
20	V	95.1	Very high	94.8	Very high	4 Å²	4	46.7 Å²	46.7	2%	0.024	28%	0.279	C	S	.	.			trans	-92.2	110.2	174.3	178	0	0	0	0	108.2	F15 F22 W47 L108 V141 I145	F15-V20 HydrophobicContact CB-CG2 3.95Å; F15-V20 HydrophobicContact CD1-CB 4.48Å; F15-V20 HydrophobicContact CD1-CG2 3.79Å; F15-V20 HydrophobicContact CD2-CG2 4.45Å; F15-V20 HydrophobicContact CE1-CG2 4.41Å; F15-V20 HydrophobicContact CG-CG2 3.83Å; V20-F22 WeakPolarHBondContact CG1-O 3.41Å; V20-W47 HydrophobicContact CB-CE3 3.98Å; V20-W47 HydrophobicContact CB-CZ3 3.63Å; V20-W47 HydrophobicContact CG2-CH2 4.32Å; V20-W47 HydrophobicContact CG2-CZ3 3.79Å; V20-W47 VanDerWaalsContact N-CE3 3.27Å; V20-L108 HydrophobicContact CG1-CD1 3.47Å; V20-L108 VanDerWaalsContact CG1-CD1 3.47Å; V20-L108 HydrophobicContact CG2-CD1 4.31Å; V20-V141 HydrophobicContact CG2-CG1 3.99Å; V20-V141 HydrophobicContact CG2-CG2 4.23Å; V20-I145 HydrophobicContact CB-CG2 4.26Å; V20-I145 HydrophobicContact CG1-CG2 3.91Å
21	P	91.5	Very high	94.7	Very high	87 Å²	87	48.1 Å²	48.1	57%	0.565	28%	0.28	S	S	*	.			trans	-76.7	-27.7	-177.1	29.3	-34	0	0	0	113	P19	P19-P21 VanDerWaalsContact O-CD 3.3Å; P19-P21 WeakPolarHBondContact O-CD 3.45Å
22	F	91.1	Very high	94.6	Very high	126 Å²	126	50 Å²	50	55%	0.553	29%	0.291	S	S	*	.			trans	-155.8	159	178.2	61.2	-90.2	0	0	0	110.2	V20 M26 V27	V20-F22 WeakPolarHBondContact CG1-O 3.41Å; F22-M26 HydrophobicContact CB-SD 4.45Å; F22-V27 HydrophobicContact CD2-CG2 3.98Å
23	S	94.3	Very high	94.3	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	29%	0.294	C	S	.	.			trans	-119.2	158.3	175.2	77.5	0	0	0	0	110.4	V25 M26 V27 N107	S23-V25 PolarHBondContact O-N 2.91Å; S23-M26 PolarHBondContact N-SD 3.49Å; S23-M26 WeakPolarHBondContact O-CB 3.43Å; S23-M26 PolarHBondContact O-N 3.31Å; S23-M26 VanDerWaalsContact OG-CG 3.26Å; S23-M26 WeakPolarHBondContact OG-CG 3.28Å; S23-M26 PolarHBondContact OG-N 3.18Å; S23-M26 VanDerWaalsContact OG-N 3.15Å; S23-M26 PolarHBondContact OG-SD 2.99Å; S23-V27 WeakPolarHBondContact O-CG2 3.46Å; S23-V27 PolarHBondContact O-N 3.12Å; S23-V27 VanDerWaalsContact O-N 3.11Å; S23-N107 VanDerWaalsContact CB-O 3.26Å; S23-N107 WeakPolarHBondContact CB-O 3.38Å; S23-N107 PolarHBondContact OG-O 3.46Å
24	A	94.3	Very high	94.1	Very high	30 Å²	30	53.4 Å²	53.4	25%	0.248	30%	0.295	C	S	.	.	H	α-helix	trans	-61.1	-34.2	177.9	0	0	0	0	0	112.4	V27 E28 N107 L108 L110	A24-V27 PolarHBondContact O-N 3.45Å; A24-E28 PolarHBondContact O-N 3.18Å; A24-N107 PolarHBondContact N-O 3.4Å; A24-N107 VanDerWaalsContact N-O 3.12Å; A24-L108 WeakPolarHBondContact CB-O 3.42Å; A24-L108 PolarHBondContact N-O 2.84Å; A24-L108 VanDerWaalsContact N-O 3.08Å; A24-L110 WeakPolarHBondContact CB-O 3.39Å
25	V	93.7	Very high	93.9	Very high	3 Å²	3	55.6 Å²	55.6	2%	0.018	31%	0.306	C	S	.	.	H	α-helix	trans	-68.8	-37.8	173.7	171.6	0	0	0	0	112.5	S23 V27 E28 R29 N107 F153	S23-V25 PolarHBondContact O-N 2.91Å; V25-V27 VanDerWaalsContact C-N 3.3Å; V25-V27 PolarHBondContact O-N 3.47Å; V25-E28 PolarHBondContact O-N 3.44Å; V25-R29 HydrophobicContact CG1-CG 4.48Å; V25-R29 WeakPolarHBondContact O-CG 3.46Å; V25-R29 PolarHBondContact O-N 2.67Å; V25-N107 HydrophobicContact CG2-CB 4.36Å; V25-N107 PolarHBondContact N-O 3.11Å; V25-N107 VanDerWaalsContact N-O 3.16Å; V25-F153 HydrophobicContact CG1-CE1 4.04Å; V25-F153 HydrophobicContact CG1-CZ 4.4Å
26	M	94.1	Very high	93.8	Very high	7 Å²	7	61.6 Å²	61.6	3%	0.034	33%	0.334	C	S	.	.	H	α-helix	trans	-59.3	-44.5	173.1	-73	161.2	-179.6	0	0	111.1	F22 S23 R29 Q30 A43 I145 F153	F22-M26 HydrophobicContact CB-SD 4.45Å; S23-M26 PolarHBondContact N-SD 3.49Å; S23-M26 WeakPolarHBondContact O-CB 3.43Å; S23-M26 PolarHBondContact O-N 3.31Å; S23-M26 VanDerWaalsContact OG-CG 3.26Å; S23-M26 WeakPolarHBondContact OG-CG 3.28Å; S23-M26 PolarHBondContact OG-N 3.18Å; S23-M26 VanDerWaalsContact OG-N 3.15Å; S23-M26 PolarHBondContact OG-SD 2.99Å; M26-R29 PolarHBondContact O-N 3.34Å; M26-Q30 VanDerWaalsContact O-CB 3.3Å; M26-Q30 WeakPolarHBondContact O-CB 3.41Å; M26-Q30 PolarHBondContact O-N 3.22Å; M26-A43 HydrophobicContact CB-CB 4.05Å; M26-A43 HydrophobicContact CG-CB 4.42Å; M26-I145 HydrophobicContact CE-CB 4.3Å; M26-I145 HydrophobicContact CE-CG2 4.43Å; M26-F153 HydrophobicContact CE-CB 3.29Å; M26-F153 HydrophobicContact CE-CD1 3.96Å; M26-F153 HydrophobicContact CE-CG 3.77Å; M26-F153 HydrophobicContact CG-CB 4.17Å; M26-F153 HydrophobicContact CG-CD1 3.58Å; M26-F153 HydrophobicContact CG-CD2 3.87Å; M26-F153 HydrophobicContact CG-CE1 3.8Å; M26-F153 HydrophobicContact CG-CE2 4.09Å; M26-F153 HydrophobicContact CG-CG 3.6Å; M26-F153 HydrophobicContact CG-CZ 4.05Å; M26-F153 HydrophobicContact SD-CB 4.49Å
27	V	93.5	Very high	93.5	Very high	72 Å²	72	62.4 Å²	62.4	44%	0.436	35%	0.348	S	S	.	.	H	α-helix	trans	-63	-44.5	177.3	174.8	0	0	0	0	110.6	F22 S23 A24 V25 R29 Q30 V31	F22-V27 HydrophobicContact CD2-CG2 3.98Å; S23-V27 WeakPolarHBondContact O-CG2 3.46Å; S23-V27 PolarHBondContact O-N 3.12Å; S23-V27 VanDerWaalsContact O-N 3.11Å; A24-V27 PolarHBondContact O-N 3.45Å; V25-V27 VanDerWaalsContact C-N 3.3Å; V25-V27 PolarHBondContact O-N 3.47Å; V27-R29 PolarHBondContact O-N 2.84Å; V27-Q30 WeakPolarHBondContact O-CB 3.34Å; V27-Q30 PolarHBondContact O-N 2.75Å; V27-V31 HydrophobicContact CG1-CG2 4.34Å; V27-V31 WeakPolarHBondContact O-CB 3.18Å; V27-V31 WeakPolarHBondContact O-CG2 3.2Å; V27-V31 PolarHBondContact O-N 2.98Å
28	E	93	Very high	93.3	Very high	57 Å²	57	60.6 Å²	60.6	27%	0.266	33%	0.334	S	S	.	.	H	α-helix	trans	-58.1	-49.1	176.9	-176.8	-172.4	171.3	0	0	111.9	A24 V25 Q30 V31 S32 W111 D112	A24-E28 PolarHBondContact O-N 3.18Å; V25-E28 PolarHBondContact O-N 3.44Å; E28-Q30 PolarHBondContact O-N 3.25Å; E28-V31 PolarHBondContact O-N 2.95Å; E28-S32 VanDerWaalsContact O-CB 3.26Å; E28-S32 WeakPolarHBondContact O-CB 3.24Å; E28-S32 PolarHBondContact O-N 2.84Å; E28-W111 WeakPolarHBondContact OE2-CA 3.22Å; E28-W111 WeakPolarHBondContact OE2-CB 3.43Å; E28-D112 PolarHBondContact OE2-N 2.82Å
29	R	92.4	Very high	92.8	Very high	71 Å²	71	66.4 Å²	66.4	27%	0.268	35%	0.354	S	S	.	.	H	α-helix	trans	-63	-42.4	177.8	-69.7	-62.7	-168.7	-98.2	-15.6	112.1	V25 M26 V27 S32 A33 Y41 D112 E147 F153	V25-R29 HydrophobicContact CG1-CG 4.48Å; V25-R29 WeakPolarHBondContact O-CG 3.46Å; V25-R29 PolarHBondContact O-N 2.67Å; M26-R29 PolarHBondContact O-N 3.34Å; V27-R29 PolarHBondContact O-N 2.84Å; R29-S32 PolarHBondContact O-N 3.05Å; R29-A33 WeakPolarHBondContact O-CB 3.27Å; R29-A33 PolarHBondContact O-N 3.48Å; R29-Y41 HydrophobicContact CB-CE1 3.98Å; R29-Y41 VanDerWaalsContact CB-OH 3.27Å; R29-Y41 WeakPolarHBondContact CB-OH 3.35Å; R29-D112 IonicContact CZ-OD2 2.68Å; R29-D112 IonicContact NH1-OD2 3.37Å; R29-D112 PolarHBondContact NH1-OD2 3.24Å; R29-D112 IonicContact NH2-OD2 3.48Å; R29-D112 PolarHBondContact NH2-OD2 3.09Å; R29-E147 IonicContact CZ-OE2 3.16Å; R29-E147 IonicContact NE-OE1 3.84Å; R29-E147 IonicContact NE-OE2 2.72Å; R29-E147 PolarHBondContact NE-OE2 3.43Å; R29-E147 IonicContact NH2-OE2 3.19Å; R29-E147 PolarHBondContact NH2-OE2 3.22Å; R29-F153 HydrophobicContact CB-CZ 4.31Å; R29-F153 HydrophobicContact CG-CZ 3.87Å
30	Q	92.8	Very high	92.3	Very high	29 Å²	29	73.9 Å²	73.9	14%	0.136	37%	0.373	C	S	.	.	H	α-helix	trans	-57.9	-50.3	177.4	-174	65.3	54.5	0	0	111.4	M26 V27 E28 A33 W34 Y41 V42 A43	M26-Q30 VanDerWaalsContact O-CB 3.3Å; M26-Q30 WeakPolarHBondContact O-CB 3.41Å; M26-Q30 PolarHBondContact O-N 3.22Å; V27-Q30 WeakPolarHBondContact O-CB 3.34Å; V27-Q30 PolarHBondContact O-N 2.75Å; E28-Q30 PolarHBondContact O-N 3.25Å; Q30-A33 PolarHBondContact O-N 3.42Å; Q30-W34 HydrophobicContact CG-CZ2 4.28Å; Q30-W34 PolarHBondContact O-N 3.34Å; Q30-W34 VanDerWaalsContact O-N 3.12Å; Q30-Y41 PolarHBondContact NE2-O 3.24Å; Q30-V42 VanDerWaalsContact OE1-CA 3.31Å; Q30-A43 HydrophobicContact CB-CB 4.43Å
31	V	93.4	Very high	91.9	Very high	71 Å²	71	74.8 Å²	74.8	43%	0.43	38%	0.376	S	S	.	.	H	α-helix	trans	-65.6	-44.6	179.4	171.6	0	0	0	0	110.6	V27 E28 A33 W34 L35	V27-V31 HydrophobicContact CG1-CG2 4.34Å; V27-V31 WeakPolarHBondContact O-CB 3.18Å; V27-V31 WeakPolarHBondContact O-CG2 3.2Å; V27-V31 PolarHBondContact O-N 2.98Å; E28-V31 PolarHBondContact O-N 2.95Å; V31-A33 PolarHBondContact O-N 3.38Å; V31-W34 PolarHBondContact O-N 3.29Å; V31-L35 HydrophobicContact CG1-CD1 3.88Å; V31-L35 HydrophobicContact CG1-CG 4.27Å; V31-L35 VanDerWaalsContact O-CG 3.3Å; V31-L35 WeakPolarHBondContact O-CG 3.43Å; V31-L35 PolarHBondContact O-N 3.45Å
32	S	92.6	Very high	91.5	Very high	50 Å²	50	75.2 Å²	75.2	35%	0.35	38%	0.376	S	S	.	.	H	α-helix	trans	-58.6	-46.7	177.2	-174.9	0	0	0	0	111.5	E28 R29 W34 L35 H36	E28-S32 VanDerWaalsContact O-CB 3.26Å; E28-S32 WeakPolarHBondContact O-CB 3.24Å; E28-S32 PolarHBondContact O-N 2.84Å; R29-S32 PolarHBondContact O-N 3.05Å; S32-W34 VanDerWaalsContact C-N 3.35Å; S32-W34 PolarHBondContact O-N 3.13Å; S32-L35 PolarHBondContact O-N 3.29Å; S32-H36 PolarHBondContact O-N 3.41Å; S32-H36 VanDerWaalsContact O-N 3.13Å; S32-H36 PolarHBondContact O-ND1 3.35Å
33	A	91.7	Very high	91.2	Very high	14 Å²	14	70.1 Å²	70.1	12%	0.116	36%	0.358	C	S	.	.	H	α-helix	trans	-61	-42.9	178.3	0	0	0	0	0	112.2	R29 Q30 V31 H36 G37 N38 Y41	R29-A33 WeakPolarHBondContact O-CB 3.27Å; R29-A33 PolarHBondContact O-N 3.48Å; Q30-A33 PolarHBondContact O-N 3.42Å; V31-A33 PolarHBondContact O-N 3.38Å; A33-H36 CarbonylContact O-C 3.47Å; A33-H36 PolarHBondContact O-N 3.28Å; A33-G37 PolarHBondContact O-N 3.16Å; A33-N38 HydrophobicContact CB-CB 4.36Å; A33-N38 WeakPolarHBondContact O-CA 3.22Å; A33-N38 WeakPolarHBondContact O-CB 3.35Å; A33-N38 PolarHBondContact O-N 2.75Å; A33-Y41 VanDerWaalsContact CB-CB 3.47Å; A33-Y41 HydrophobicContact CB-CD1 3.5Å; A33-Y41 VanDerWaalsContact CB-CD1 3.5Å; A33-Y41 HydrophobicContact CB-CD2 4.14Å; A33-Y41 HydrophobicContact CB-CE1 4.23Å; A33-Y41 HydrophobicContact CB-CG 3.44Å; A33-Y41 VanDerWaalsContact CB-CG 3.44Å
34	W	93.3	Very high	90.6	Very high	124 Å²	124	74.6 Å²	74.6	47%	0.47	38%	0.379	S	S	.	.	H	α-helix	trans	-64.9	-41	176.7	-74.2	2.1	0	0	0	113.1	Q30 V31 S32 H36 G37 F39	Q30-W34 HydrophobicContact CG-CZ2 4.28Å; Q30-W34 PolarHBondContact O-N 3.34Å; Q30-W34 VanDerWaalsContact O-N 3.12Å; V31-W34 PolarHBondContact O-N 3.29Å; S32-W34 VanDerWaalsContact C-N 3.35Å; S32-W34 PolarHBondContact O-N 3.13Å; W34-H36 PolarHBondContact O-N 3.12Å; W34-G37 PolarHBondContact O-N 3.45Å; W34-F39 HydrophobicContact CB-CD1 4.1Å; W34-F39 HydrophobicContact CB-CE1 4.03Å; W34-F39 AromaticContact CD1-CD1 3.92Å; W34-F39 HydrophobicContact CD2-CD1 4.44Å; W34-F39 AromaticContact CG-CD1 3.89Å; W34-F39 HydrophobicContact CG-CD1 3.89Å; W34-F39 HydrophobicContact CG-CE1 4.29Å
35	L	93.7	Very high	90.2	Very high	143 Å²	143	74.2 Å²	74.2	75%	0.749	37%	0.374	S	S	*	.	H	α-helix	trans	-63.2	-30	176.3	-71.3	174.2	0	0	0	112.6	V31 S32 G37	V31-L35 HydrophobicContact CG1-CD1 3.88Å; V31-L35 HydrophobicContact CG1-CG 4.27Å; V31-L35 VanDerWaalsContact O-CG 3.3Å; V31-L35 WeakPolarHBondContact O-CG 3.43Å; V31-L35 PolarHBondContact O-N 3.45Å; S32-L35 PolarHBondContact O-N 3.29Å; L35-G37 VanDerWaalsContact C-N 3.27Å; L35-G37 PolarHBondContact O-N 3.46Å
36	H	93.6	Very high	90.2	Very high	156 Å²	156	77.6 Å²	77.6	72%	0.722	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	10.4	173.7	-64.7	93.2	0	0	0	113.4	S32 A33 W34 N38	S32-H36 PolarHBondContact O-N 3.41Å; S32-H36 VanDerWaalsContact O-N 3.13Å; S32-H36 PolarHBondContact O-ND1 3.35Å; A33-H36 CarbonylContact O-C 3.47Å; A33-H36 PolarHBondContact O-N 3.28Å; W34-H36 PolarHBondContact O-N 3.12Å; H36-N38 VanDerWaalsContact C-N 3.34Å; H36-N38 PolarHBondContact O-N 2.86Å
37	G	91.1	Very high	90.3	Very high	48 Å²	48	80.1 Å²	80.1	50%	0.495	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.8	3.6	176.8	0	0	0	0	0	115.2	A33 W34 L35 F39	A33-G37 PolarHBondContact O-N 3.16Å; W34-G37 PolarHBondContact O-N 3.45Å; L35-G37 VanDerWaalsContact C-N 3.27Å; L35-G37 PolarHBondContact O-N 3.46Å; G37-F39 VanDerWaalsContact C-N 3.33Å; G37-F39 WeakPolarHBondContact O-CD2 3.35Å; G37-F39 PolarHBondContact O-N 3.39Å; G37-F39 VanDerWaalsContact O-N 3.12Å
38	N	90.5	Very high	90.5	Very high	78 Å²	78	77.3 Å²	77.3	42%	0.417	38%	0.384	S	S	.	.			trans	-87.1	70.5	175.9	-172.1	4.4	0	0	0	111.4	A33 H36 R40 Y41	A33-N38 HydrophobicContact CB-CB 4.36Å; A33-N38 WeakPolarHBondContact O-CA 3.22Å; A33-N38 WeakPolarHBondContact O-CB 3.35Å; A33-N38 PolarHBondContact O-N 2.75Å; H36-N38 VanDerWaalsContact C-N 3.34Å; H36-N38 PolarHBondContact O-N 2.86Å; N38-R40 PolarHBondContact O-N 2.87Å; N38-R40 PolarHBondContact OD1-N 2.77Å; N38-Y41 WeakPolarHBondContact O-CB 3.38Å; N38-Y41 PolarHBondContact O-N 3.29Å; N38-Y41 PolarHBondContact OD1-N 3.06Å
39	F	87.7	Confident	90.7	Very high	148 Å²	148	76.4 Å²	76.4	65%	0.649	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-11.6	177.4	-60.2	-72.5	0	0	0	114.2	W34 G37	W34-F39 HydrophobicContact CB-CD1 4.1Å; W34-F39 HydrophobicContact CB-CE1 4.03Å; W34-F39 AromaticContact CD1-CD1 3.92Å; W34-F39 HydrophobicContact CD2-CD1 4.44Å; W34-F39 AromaticContact CG-CD1 3.89Å; W34-F39 HydrophobicContact CG-CD1 3.89Å; W34-F39 HydrophobicContact CG-CE1 4.29Å; G37-F39 VanDerWaalsContact C-N 3.33Å; G37-F39 WeakPolarHBondContact O-CD2 3.35Å; G37-F39 PolarHBondContact O-N 3.39Å; G37-F39 VanDerWaalsContact O-N 3.12Å
40	R	85.8	Confident	90.9	Very high	233 Å²	233	74.7 Å²	74.7	88%	0.879	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-14.3	176.4	-64.5	-177.1	68.9	168.8	1.7	113.1	N38	N38-R40 PolarHBondContact O-N 2.87Å; N38-R40 PolarHBondContact OD1-N 2.77Å
41	Y	85.9	Confident	91.2	Very high	24 Å²	24	79.5 Å²	79.5	9%	0.094	41%	0.406	C	S	.	.			trans	-66.7	131.6	174.8	-177	-89.3	0	0	0	110	R29 Q30 A33 N38 A43 G151	R29-Y41 HydrophobicContact CB-CE1 3.98Å; R29-Y41 VanDerWaalsContact CB-OH 3.27Å; R29-Y41 WeakPolarHBondContact CB-OH 3.35Å; Q30-Y41 PolarHBondContact NE2-O 3.24Å; A33-Y41 VanDerWaalsContact CB-CB 3.47Å; A33-Y41 HydrophobicContact CB-CD1 3.5Å; A33-Y41 VanDerWaalsContact CB-CD1 3.5Å; A33-Y41 HydrophobicContact CB-CD2 4.14Å; A33-Y41 HydrophobicContact CB-CE1 4.23Å; A33-Y41 HydrophobicContact CB-CG 3.44Å; A33-Y41 VanDerWaalsContact CB-CG 3.44Å; N38-Y41 WeakPolarHBondContact O-CB 3.38Å; N38-Y41 PolarHBondContact O-N 3.29Å; N38-Y41 PolarHBondContact OD1-N 3.06Å; Y41-A43 HydrophobicContact CE1-CB 3.84Å; Y41-G151 WeakPolarHBondContact OH-CA 3.41Å
42	V	83.7	Confident	91.4	Very high	95 Å²	95	80.7 Å²	80.7	58%	0.576	41%	0.407	S	S	*	.			trans	-134.8	106	175.8	-178.8	0	0	0	0	107.8	Q30 H44	Q30-V42 VanDerWaalsContact OE1-CA 3.31Å; V42-H44 PolarHBondContact O-N 2.99Å
43	A	84	Confident	91.6	Very high	20 Å²	20	78.5 Å²	78.5	17%	0.165	39%	0.392	C	S	.	.			trans	-74.7	114.3	167.7	0	0	0	0	0	108.4	M26 Q30 Y41 F153	M26-A43 HydrophobicContact CB-CB 4.05Å; M26-A43 HydrophobicContact CG-CB 4.42Å; Q30-A43 HydrophobicContact CB-CB 4.43Å; Y41-A43 HydrophobicContact CE1-CB 3.84Å; A43-F153 HydrophobicContact CB-CD2 4.04Å; A43-F153 HydrophobicContact CB-CE2 3.77Å
44	H	81.5	Confident	91.9	Very high	93 Å²	93	78.1 Å²	78.1	43%	0.431	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	158.5	170.8	74.8	100.8	0	0	0	110.2	V42 D46 F153	V42-H44 PolarHBondContact O-N 2.99Å; H44-D46 IonicContact CE1-OD1 3.8Å; H44-D46 IonicContact CE1-OD2 3.65Å; H44-D46 IonicContact ND1-OD1 3.65Å; H44-D46 PolarHBondContact ND1-OD1 3.39Å; H44-D46 VanDerWaalsContact ND1-OD1 3.16Å; H44-F153 WeakPolarHBondContact O-CB 3.36Å
45	S	86.5	Confident	92.1	Very high	22 Å²	22	76.7 Å²	76.7	15%	0.154	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	137.1	166.6	166.9	0	0	0	0	108.9	W47 N144 F153	S45-W47 PolarHBondContact O-N 2.9Å; S45-N144 VanDerWaalsContact CB-O 3.25Å; S45-N144 WeakPolarHBondContact CB-O 2.95Å; S45-N144 PolarHBondContact OG-O 3.42Å; S45-F153 WeakPolarHBondContact CA-O 3.39Å; S45-F153 WeakPolarHBondContact CB-O 3.39Å
46	D	92.5	Very high	92.3	Very high	74 Å²	74	75.8 Å²	75.8	40%	0.396	38%	0.381	S	S	.	.			trans	-92.9	92.5	174.5	-60.9	-24.4	0	0	0	107.6	H44 V48 E156	H44-D46 IonicContact CE1-OD1 3.8Å; H44-D46 IonicContact CE1-OD2 3.65Å; H44-D46 IonicContact ND1-OD1 3.65Å; H44-D46 PolarHBondContact ND1-OD1 3.39Å; H44-D46 VanDerWaalsContact ND1-OD1 3.16Å; D46-V48 PolarHBondContact O-N 3.36Å; D46-E156 HydrophobicContact CB-CB 4.14Å; D46-E156 HydrophobicContact CB-CG 3.95Å; D46-E156 WeakPolarHBondContact O-CB 3.14Å
47	W	96.9	Very high	92.5	Very high	60 Å²	60	68.3 Å²	68.3	23%	0.227	35%	0.347	C	S	.	.			trans	-59.9	126.7	-174.5	178.3	-79.4	0	0	0	111.6	P19 V20 S45 R137 T140 V141 N144	P19-W47 HydrophobicContact CB-CB 4.48Å; P19-W47 HydrophobicContact CB-CD2 3.8Å; P19-W47 HydrophobicContact CB-CE3 4.47Å; P19-W47 HydrophobicContact CB-CG 3.74Å; V20-W47 HydrophobicContact CB-CE3 3.98Å; V20-W47 HydrophobicContact CB-CZ3 3.63Å; V20-W47 HydrophobicContact CG2-CH2 4.32Å; V20-W47 HydrophobicContact CG2-CZ3 3.79Å; V20-W47 VanDerWaalsContact N-CE3 3.27Å; S45-W47 PolarHBondContact O-N 2.9Å; W47-R137 VanDerWaalsContact CZ2-NH1 3.3Å; W47-T140 HydrophobicContact CH2-CG2 4.18Å; W47-T140 HydrophobicContact CZ2-CG2 3.85Å; W47-V141 HydrophobicContact CH2-CB 4.39Å; W47-V141 HydrophobicContact CH2-CG2 3.74Å; W47-V141 HydrophobicContact CZ3-CG2 4.29Å; W47-N144 VanDerWaalsContact CA-OD1 3.3Å; W47-N144 WeakPolarHBondContact CA-OD1 3.36Å; W47-N144 HydrophobicContact CD2-CB 4.16Å; W47-N144 HydrophobicContact CE3-CB 3.43Å; W47-N144 VanDerWaalsContact CE3-CB 3.43Å; W47-N144 HydrophobicContact CH2-CB 4.33Å; W47-N144 HydrophobicContact CZ3-CB 3.53Å
48	V	97.5	Very high	92.8	Very high	13 Å²	13	66.2 Å²	66.2	8%	0.079	33%	0.325	C	S	.	.			trans	-125.1	143.2	172.7	-70.2	0	0	0	0	110.9	D46 Q52 I53 N144 V155 E156	D46-V48 PolarHBondContact O-N 3.36Å; V48-Q52 HydrophobicContact CB-CB 4.01Å; V48-I53 HydrophobicContact CG2-CD1 4.06Å; V48-I53 HydrophobicContact CG2-CG1 3.63Å; V48-N144 PolarHBondContact N-OD1 3.23Å; V48-N144 PolarHBondContact O-ND2 2.86Å; V48-V155 HydrophobicContact CG2-CG1 4.04Å; V48-E156 HydrophobicContact CG1-CB 3.84Å; V48-E156 HydrophobicContact CG1-CG 3.85Å; V48-E156 HydrophobicContact CG2-CB 4.04Å
49	S	97.7	Very high	93.1	Very high	38 Å²	38	67.3 Å²	67.3	27%	0.266	33%	0.33	S	S	.	.			trans	-71.7	160.4	175.9	60.8	0	0	0	0	111.4	D51 Q52 I53	S49-D51 WeakPolarHBondContact CB-OD1 3.16Å; S49-D51 PolarHBondContact O-N 2.98Å; S49-D51 VanDerWaalsContact O-N 3.13Å; S49-D51 VanDerWaalsContact OG-CG 3.27Å; S49-D51 PolarHBondContact OG-OD1 3.19Å; S49-D51 PolarHBondContact OG-OD2 2.88Å; S49-Q52 WeakPolarHBondContact O-CA 3.27Å; S49-Q52 WeakPolarHBondContact O-CB 3.35Å; S49-Q52 PolarHBondContact O-N 3.05Å; S49-Q52 PolarHBondContact OG-OE1 3.08Å; S49-I53 PolarHBondContact O-N 3.34Å
50	M	97.5	Very high	93.6	Very high	36 Å²	36	61 Å²	61	18%	0.177	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-56.9	-32.5	-176.5	-167	63.3	-163.8	0	0	113.7	Q52 I53 K136 L139 T140	M50-Q52 VanDerWaalsContact C-N 3.27Å; M50-Q52 PolarHBondContact O-N 3.4Å; M50-I53 PolarHBondContact O-N 3.33Å; M50-I53 HydrophobicContact SD-CD1 4.42Å; M50-K136 HydrophobicContact CB-CG 4.37Å; M50-K136 HydrophobicContact CG-CD 4.36Å; M50-K136 HydrophobicContact CG-CG 3.9Å; M50-L139 HydrophobicContact CE-CD2 3.78Å; M50-L139 HydrophobicContact CE-CG 4.35Å; M50-T140 HydrophobicContact CB-CG2 4.3Å; M50-T140 WeakPolarHBondContact CB-OG1 3.46Å
51	D	97.4	Very high	94.1	Very high	130 Å²	130	50.1 Å²	50.1	70%	0.695	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-72.3	-18.5	176.7	56	-64.5	0	0	0	113.5	S49	S49-D51 WeakPolarHBondContact CB-OD1 3.16Å; S49-D51 PolarHBondContact O-N 2.98Å; S49-D51 VanDerWaalsContact O-N 3.13Å; S49-D51 VanDerWaalsContact OG-CG 3.27Å; S49-D51 PolarHBondContact OG-OD1 3.19Å; S49-D51 PolarHBondContact OG-OD2 2.88Å
52	Q	98.1	Very high	94.6	Very high	95 Å²	95	50.4 Å²	50.4	44%	0.444	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-92.6	1.6	172.2	-63.3	-179.7	-56.8	0	0	112.6	V48 S49 M50 S168	V48-Q52 HydrophobicContact CB-CB 4.01Å; S49-Q52 WeakPolarHBondContact O-CA 3.27Å; S49-Q52 WeakPolarHBondContact O-CB 3.35Å; S49-Q52 PolarHBondContact O-N 3.05Å; S49-Q52 PolarHBondContact OG-OE1 3.08Å; M50-Q52 VanDerWaalsContact C-N 3.27Å; M50-Q52 PolarHBondContact O-N 3.4Å; Q52-S168 VanDerWaalsContact O-CA 3.27Å; Q52-S168 WeakPolarHBondContact O-CA 3.4Å; Q52-S168 VanDerWaalsContact O-CB 3.24Å; Q52-S168 WeakPolarHBondContact O-CB 3.39Å; Q52-S168 PolarHBondContact O-N 3.24Å
53	I	98	Very high	95.1	Very high	5 Å²	5	48.6 Å²	48.6	3%	0.026	26%	0.263	C	S	.	.	S	Bend	trans	-103.9	132.2	175	-60.2	172.1	0	0	0	108.6	V48 S49 M50 M57 L143 V155	V48-I53 HydrophobicContact CG2-CD1 4.06Å; V48-I53 HydrophobicContact CG2-CG1 3.63Å; S49-I53 PolarHBondContact O-N 3.34Å; M50-I53 PolarHBondContact O-N 3.33Å; M50-I53 HydrophobicContact SD-CD1 4.42Å; I53-M57 HydrophobicContact CG2-CB 3.92Å; I53-M57 HydrophobicContact CG2-CG 4.37Å; I53-L143 HydrophobicContact CD1-CB 4.06Å; I53-L143 HydrophobicContact CD1-CD1 4.1Å; I53-L143 HydrophobicContact CG2-CD1 4.05Å; I53-V155 HydrophobicContact CD1-CG1 3.87Å; I53-V155 HydrophobicContact CG1-CG1 3.89Å; I53-V155 HydrophobicContact CG2-CG1 4.37Å
54	S	97.9	Very high	95.6	Very high	5 Å²	5	51.2 Å²	51.2	4%	0.035	29%	0.285	C	S	.	.			trans	-56	131.1	174.2	175.7	0	0	0	0	110.8	W56 M57 A167 L170	S54-W56 PolarHBondContact O-N 2.76Å; S54-W56 VanDerWaalsContact O-N 3.08Å; S54-W56 PolarHBondContact OG-N 3.4Å; S54-M57 WeakPolarHBondContact O-CB 3.24Å; S54-M57 PolarHBondContact O-N 3.25Å; S54-A167 WeakPolarHBondContact CB-O 3.32Å; S54-A167 PolarHBondContact N-O 3.38Å; S54-A167 VanDerWaalsContact N-O 3.1Å; S54-L170 WeakPolarHBondContact CB-O 3.43Å; S54-L170 PolarHBondContact OG-O 3.2Å
55	P	97.6	Very high	96.2	Very high	94 Å²	94	50.1 Å²	50.1	61%	0.61	28%	0.28	S	S	*	.	H	α-helix	trans	-55.2	-29.7	174.5	-26.6	34.6	0	0	0	112.9	M57 G58 L59	P55-M57 VanDerWaalsContact C-N 3.26Å; P55-M57 PolarHBondContact O-N 2.89Å; P55-G58 PolarHBondContact O-N 3.1Å; P55-L59 WeakPolarHBondContact O-CG 3.29Å; P55-L59 PolarHBondContact O-N 2.89Å
56	W	97.7	Very high	96.7	Very high	124 Å²	124	49.5 Å²	49.5	47%	0.47	28%	0.275	S	S	.	.	H	α-helix	trans	-63.1	-31.9	175.7	-59.6	115.1	0	0	0	113	S54 L59 A60 R172 A175	S54-W56 PolarHBondContact O-N 2.76Å; S54-W56 VanDerWaalsContact O-N 3.08Å; S54-W56 PolarHBondContact OG-N 3.4Å; W56-L59 HydrophobicContact CE3-CD1 4.16Å; W56-L59 HydrophobicContact CZ3-CD1 4.33Å; W56-A60 WeakPolarHBondContact O-CB 3.42Å; W56-A60 PolarHBondContact O-N 3.13Å; W56-R172 HydrophobicContact CD2-CB 3.89Å; W56-R172 HydrophobicContact CD2-CG 4.43Å; W56-R172 HydrophobicContact CE3-CB 3.95Å; W56-R172 HydrophobicContact CE3-CG 3.99Å; W56-R172 HydrophobicContact CG-CB 4.15Å; W56-R172 HydrophobicContact CZ3-CG 4.42Å; W56-A175 HydrophobicContact CB-CB 3.94Å
57	M	97.8	Very high	96.8	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-68.8	-46.9	176.1	-169.8	73.3	-129.2	0	0	111.3	I53 S54 P55 L59 A60 V61 L143 F148 V155 L170 A175 L178	I53-M57 HydrophobicContact CG2-CB 3.92Å; I53-M57 HydrophobicContact CG2-CG 4.37Å; S54-M57 WeakPolarHBondContact O-CB 3.24Å; S54-M57 PolarHBondContact O-N 3.25Å; P55-M57 VanDerWaalsContact C-N 3.26Å; P55-M57 PolarHBondContact O-N 2.89Å; M57-L59 VanDerWaalsContact C-N 3.3Å; M57-L59 PolarHBondContact O-N 3.49Å; M57-A60 PolarHBondContact O-N 2.72Å; M57-V61 HydrophobicContact CE-CG2 3.45Å; M57-V61 VanDerWaalsContact CE-CG2 3.45Å; M57-V61 PolarHBondContact O-N 2.86Å; M57-L143 HydrophobicContact CG-CD2 3.93Å; M57-F148 HydrophobicContact CE-CE1 3.83Å; M57-F148 HydrophobicContact CE-CZ 4.33Å; M57-V155 HydrophobicContact CB-CG2 4.5Å; M57-V155 HydrophobicContact CG-CG2 3.64Å; M57-V155 HydrophobicContact SD-CG2 4Å; M57-L170 HydrophobicContact CB-CD1 4.33Å; M57-L170 HydrophobicContact CG-CD1 4.39Å; M57-L170 HydrophobicContact SD-CD1 3.9Å; M57-A175 HydrophobicContact CB-CB 4.41Å; M57-A175 HydrophobicContact SD-CB 4.13Å; M57-L178 HydrophobicContact CE-CB 3.92Å; M57-L178 HydrophobicContact SD-CB 4.05Å; M57-L178 HydrophobicContact SD-CD1 3.95Å
58	G	96.9	Very high	96.8	Very high	4 Å²	4	53.8 Å²	53.8	4%	0.041	29%	0.294	C	S	.	.	H	α-helix	trans	-57.7	-45.3	176	0	0	0	0	0	111.7	P55 I62	P55-G58 PolarHBondContact O-N 3.1Å; G58-I62 WeakPolarHBondContact O-CB 3.34Å; G58-I62 VanDerWaalsContact O-CG1 3.27Å; G58-I62 WeakPolarHBondContact O-CG1 3.32Å; G58-I62 PolarHBondContact O-N 2.97Å
59	L	97	Very high	96.8	Very high	100 Å²	100	53.4 Å²	53.4	52%	0.524	29%	0.291	S	S	.	.	H	α-helix	trans	-64.6	-40.2	175.8	-70.6	172.6	0	0	0	113	P55 W56 M57 A63	P55-L59 WeakPolarHBondContact O-CG 3.29Å; P55-L59 PolarHBondContact O-N 2.89Å; W56-L59 HydrophobicContact CE3-CD1 4.16Å; W56-L59 HydrophobicContact CZ3-CD1 4.33Å; M57-L59 VanDerWaalsContact C-N 3.3Å; M57-L59 PolarHBondContact O-N 3.49Å; L59-A63 VanDerWaalsContact O-CB 3.24Å; L59-A63 WeakPolarHBondContact O-CB 3.49Å; L59-A63 PolarHBondContact O-N 3.22Å
60	A	97	Very high	96.8	Very high	15 Å²	15	55.7 Å²	55.7	12%	0.124	31%	0.305	C	S	.	.	H	α-helix	trans	-63.1	-45.4	178.6	0	0	0	0	0	111.4	W56 M57 A63 A64 A175 I176	W56-A60 WeakPolarHBondContact O-CB 3.42Å; W56-A60 PolarHBondContact O-N 3.13Å; M57-A60 PolarHBondContact O-N 2.72Å; A60-A63 PolarHBondContact O-N 2.87Å; A60-A64 VanDerWaalsContact O-CB 3.29Å; A60-A64 WeakPolarHBondContact O-CB 3.28Å; A60-A64 PolarHBondContact O-N 3.26Å; A60-A175 HydrophobicContact CB-CB 4.1Å; A60-I176 HydrophobicContact CB-CG1 4.4Å
61	V	96.3	Very high	96.7	Very high	5 Å²	5	61.4 Å²	61.4	3%	0.03	33%	0.331	C	S	.	.	H	α-helix	trans	-64.8	-47.4	176.6	170	0	0	0	0	111.5	M57 A63 A64 E65 I100 L139 Y142 L143	M57-V61 HydrophobicContact CE-CG2 3.45Å; M57-V61 VanDerWaalsContact CE-CG2 3.45Å; M57-V61 PolarHBondContact O-N 2.86Å; V61-A63 VanDerWaalsContact C-N 3.29Å; V61-A63 PolarHBondContact O-N 2.59Å; V61-A64 PolarHBondContact O-N 3.28Å; V61-E65 HydrophobicContact CG1-CB 4.42Å; V61-E65 HydrophobicContact CG1-CG 4.16Å; V61-E65 VanDerWaalsContact O-CB 3.32Å; V61-E65 WeakPolarHBondContact O-CB 3.37Å; V61-E65 PolarHBondContact O-N 3.42Å; V61-I100 HydrophobicContact CG1-CD1 3.78Å; V61-I100 HydrophobicContact CG1-CG1 4.26Å; V61-L139 HydrophobicContact CG1-CD1 4.38Å; V61-Y142 HydrophobicContact CB-CE1 4.45Å; V61-Y142 HydrophobicContact CG1-CD1 3.78Å; V61-Y142 HydrophobicContact CG1-CE1 3.29Å; V61-Y142 HydrophobicContact CG2-CE1 4.32Å; V61-L143 HydrophobicContact CB-CD2 4.28Å; V61-L143 HydrophobicContact CG2-CD2 3.53Å
62	I	96.8	Very high	96.7	Very high	31 Å²	31	56.2 Å²	56.2	16%	0.159	30%	0.303	C	S	.	.	H	α-helix	trans	-57.6	-45.6	176.8	-69.8	168.9	0	0	0	110.1	G58 A64 D66 Q67 F69 I100 L139	G58-I62 WeakPolarHBondContact O-CB 3.34Å; G58-I62 VanDerWaalsContact O-CG1 3.27Å; G58-I62 WeakPolarHBondContact O-CG1 3.32Å; G58-I62 PolarHBondContact O-N 2.97Å; I62-A64 VanDerWaalsContact C-N 3.33Å; I62-A64 PolarHBondContact O-N 3.49Å; I62-D66 WeakPolarHBondContact CG2-O 3.43Å; I62-D66 CarbonylContact O-C 3.29Å; I62-D66 PolarHBondContact O-N 2.93Å; I62-D66 VanDerWaalsContact O-N 3.08Å; I62-D66 VanDerWaalsContact O-O 3.07Å; I62-Q67 WeakPolarHBondContact O-CA 3.35Å; I62-Q67 PolarHBondContact O-N 3.5Å; I62-F69 HydrophobicContact CD1-CD1 4.08Å; I62-F69 HydrophobicContact CG1-CB 4.34Å; I62-F69 HydrophobicContact CG1-CD1 4.1Å; I62-F69 HydrophobicContact CG2-CB 4.39Å; I62-I100 HydrophobicContact CG1-CD1 4.11Å; I62-L139 HydrophobicContact CD1-CD2 4.02Å; I62-L139 HydrophobicContact CG1-CD1 4.46Å
63	A	95.3	Very high	96.7	Very high	57 Å²	57	58.5 Å²	58.5	47%	0.471	31%	0.307	S	S	.	.	H	α-helix	trans	-65.9	-33.9	-178.6	0	0	0	0	0	113.7	L59 A60 V61 Q67	L59-A63 VanDerWaalsContact O-CB 3.24Å; L59-A63 WeakPolarHBondContact O-CB 3.49Å; L59-A63 PolarHBondContact O-N 3.22Å; A60-A63 PolarHBondContact O-N 2.87Å; V61-A63 VanDerWaalsContact C-N 3.29Å; V61-A63 PolarHBondContact O-N 2.59Å; A63-Q67 WeakPolarHBondContact O-CG 3.25Å; A63-Q67 PolarHBondContact O-NE2 2.9Å
64	A	93.9	Very high	96.6	Very high	75 Å²	75	58.2 Å²	58.2	62%	0.62	31%	0.306	S	S	*	.	H	α-helix	trans	-84.2	-45.8	-177.5	0	0	0	0	0	113	A60 V61 I62	A60-A64 VanDerWaalsContact O-CB 3.29Å; A60-A64 WeakPolarHBondContact O-CB 3.28Å; A60-A64 PolarHBondContact O-N 3.26Å; V61-A64 PolarHBondContact O-N 3.28Å; I62-A64 VanDerWaalsContact C-N 3.33Å; I62-A64 PolarHBondContact O-N 3.49Å
65	E	94.3	Very high	96.6	Very high	70 Å²	70	60.2 Å²	60.2	33%	0.327	31%	0.314	S	S	.	.	H	α-helix	trans	-97.7	-38.2	-168.7	-63.8	-60	133.5	0	0	112.9	V61 I100 Q103	V61-E65 HydrophobicContact CG1-CB 4.42Å; V61-E65 HydrophobicContact CG1-CG 4.16Å; V61-E65 VanDerWaalsContact O-CB 3.32Å; V61-E65 WeakPolarHBondContact O-CB 3.37Å; V61-E65 PolarHBondContact O-N 3.42Å; E65-I100 HydrophobicContact CB-CG1 4.12Å; E65-Q103 PolarHBondContact OE2-NE2 3Å
66	D	96.2	Very high	96.6	Very high	9 Å²	9	56.4 Å²	56.4	5%	0.048	29%	0.288	C	S	.	.			trans	-161.5	78.3	-164.9	-171.6	-1	0	0	0	112.1	I62 K68 F69 H72 T99 I100	I62-D66 WeakPolarHBondContact CG2-O 3.43Å; I62-D66 CarbonylContact O-C 3.29Å; I62-D66 PolarHBondContact O-N 2.93Å; I62-D66 VanDerWaalsContact O-N 3.08Å; I62-D66 VanDerWaalsContact O-O 3.07Å; D66-K68 PolarHBondContact O-N 3.28Å; D66-K68 VanDerWaalsContact O-N 3.08Å; D66-F69 HydrophobicContact CB-CB 4.1Å; D66-F69 WeakPolarHBondContact O-CB 3.45Å; D66-F69 PolarHBondContact O-N 2.94Å; D66-F69 PolarHBondContact OD1-N 3.27Å; D66-H72 IonicContact OD1-CD2 3.71Å; D66-H72 IonicContact OD1-NE2 2.97Å; D66-H72 PolarHBondContact OD1-NE2 3.48Å; D66-H72 VanDerWaalsContact OD1-NE2 3.09Å; D66-H72 IonicContact OD2-CE1 2.68Å; D66-H72 IonicContact OD2-NE2 3.53Å; D66-H72 PolarHBondContact OD2-NE2 3.32Å; D66-T99 VanDerWaalsContact OD2-CA 3.32Å; D66-T99 WeakPolarHBondContact OD2-CA 3.45Å; D66-T99 WeakPolarHBondContact OD2-CB 3.49Å; D66-I100 HydrophobicContact CB-CB 4.34Å; D66-I100 HydrophobicContact CB-CD1 3.79Å; D66-I100 HydrophobicContact CB-CG1 3.67Å; D66-I100 PolarHBondContact OD2-N 3.43Å
67	Q	95.6	Very high	96.4	Very high	151 Å²	151	54.6 Å²	54.6	71%	0.706	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-21.8	-172.4	-67.6	177.2	-7.4	0	0	113.5	I62 A63	I62-Q67 WeakPolarHBondContact O-CA 3.35Å; I62-Q67 PolarHBondContact O-N 3.5Å; A63-Q67 WeakPolarHBondContact O-CG 3.25Å; A63-Q67 PolarHBondContact O-NE2 2.9Å
68	K	96.2	Very high	96.3	Very high	73 Å²	73	56.2 Å²	56.2	32%	0.317	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	14	179.2	-62.8	-167.6	-168.9	168.2	0	113.1	D66 P70 E71 H72 D76	D66-K68 PolarHBondContact O-N 3.28Å; D66-K68 VanDerWaalsContact O-N 3.08Å; K68-P70 VanDerWaalsContact O-N 3.08Å; K68-E71 HydrophobicContact CB-CB 4.48Å; K68-E71 WeakPolarHBondContact O-CB 3.36Å; K68-E71 PolarHBondContact O-N 3.42Å; K68-H72 VanDerWaalsContact C-CD2 3.49Å; K68-H72 PolarHBondContact O-CD2 2.85Å; K68-H72 PolarHBondContact O-N 3.39Å; K68-D76 WeakPolarHBondContact CD-OD2 3.49Å; K68-D76 IonicContact NZ-OD1 2.95Å; K68-D76 IonicContact NZ-OD2 3.09Å
69	F	97.9	Very high	96.1	Very high	5 Å²	5	58.1 Å²	58.1	2%	0.022	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-45.1	-41.7	179.7	176.6	-110.4	0	0	0	114.8	I62 D66 E71 H72 I100 K135 I138 L139	I62-F69 HydrophobicContact CD1-CD1 4.08Å; I62-F69 HydrophobicContact CG1-CB 4.34Å; I62-F69 HydrophobicContact CG1-CD1 4.1Å; I62-F69 HydrophobicContact CG2-CB 4.39Å; D66-F69 HydrophobicContact CB-CB 4.1Å; D66-F69 WeakPolarHBondContact O-CB 3.45Å; D66-F69 PolarHBondContact O-N 2.94Å; D66-F69 PolarHBondContact OD1-N 3.27Å; F69-E71 VanDerWaalsContact C-N 3.28Å; F69-E71 PolarHBondContact O-N 3.41Å; F69-H72 WeakPolarHBondContact CA-NE2 3.26Å; F69-I100 HydrophobicContact CB-CD1 4.2Å; F69-I100 HydrophobicContact CD1-CD1 4.49Å; F69-I100 HydrophobicContact CD2-CB 3.71Å; F69-I100 HydrophobicContact CD2-CD1 4.16Å; F69-I100 HydrophobicContact CD2-CG1 4.46Å; F69-I100 HydrophobicContact CD2-CG2 4.1Å; F69-I100 HydrophobicContact CE2-CB 3.84Å; F69-I100 HydrophobicContact CE2-CG2 3.73Å; F69-I100 HydrophobicContact CG-CB 4.44Å; F69-I100 HydrophobicContact CG-CD1 4.02Å; F69-I100 HydrophobicContact CZ-CG2 4.18Å; F69-K135 HydrophobicContact CE1-CB 3.99Å; F69-K135 HydrophobicContact CE1-CD 4.07Å; F69-K135 WeakPolarHBondContact CE1-O 3.47Å; F69-K135 HydrophobicContact CE2-CD 3.99Å; F69-K135 HydrophobicContact CZ-CB 4.19Å; F69-K135 HydrophobicContact CZ-CD 3.77Å; F69-K135 WeakPolarHBondContact CZ-O 3.3Å; F69-K135 WeakPolarHBondContact O-CD 3.25Å; F69-K135 WeakPolarHBondContact O-CE 3.3Å; F69-K135 PolarHBondContact O-NZ 2.93Å; F69-I138 HydrophobicContact CE2-CB 4.41Å; F69-I138 HydrophobicContact CE2-CG2 3.83Å; F69-I138 HydrophobicContact CZ-CB 3.97Å; F69-I138 HydrophobicContact CZ-CG2 3.83Å; F69-L139 HydrophobicContact CE1-CB 4Å; F69-L139 HydrophobicContact CZ-CB 4.25Å
70	P	96.8	Very high	95.9	Very high	86 Å²	86	55.8 Å²	55.8	56%	0.558	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-19.5	178.5	-18.5	33.8	0	0	0	114.5	K68	K68-P70 VanDerWaalsContact O-N 3.08Å
71	E	96.6	Very high	95.7	Very high	155 Å²	155	61 Å²	61	72%	0.724	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	-37.3	-167.5	-60	175.1	-169	0	0	113	K68 F69	K68-E71 HydrophobicContact CB-CB 4.48Å; K68-E71 WeakPolarHBondContact O-CB 3.36Å; K68-E71 PolarHBondContact O-N 3.42Å; F69-E71 VanDerWaalsContact C-N 3.28Å; F69-E71 PolarHBondContact O-N 3.41Å
72	H	97.5	Very high	95.6	Very high	22 Å²	22	67.3 Å²	67.3	10%	0.102	35%	0.353	C	S	.	.	S	Bend	trans	-88.5	166.3	-176.9	68.8	67.5	0	0	0	112.6	D66 K68 F69 G74 F75 K135	D66-H72 IonicContact OD1-CD2 3.71Å; D66-H72 IonicContact OD1-NE2 2.97Å; D66-H72 PolarHBondContact OD1-NE2 3.48Å; D66-H72 VanDerWaalsContact OD1-NE2 3.09Å; D66-H72 IonicContact OD2-CE1 2.68Å; D66-H72 IonicContact OD2-NE2 3.53Å; D66-H72 PolarHBondContact OD2-NE2 3.32Å; K68-H72 VanDerWaalsContact C-CD2 3.49Å; K68-H72 PolarHBondContact O-CD2 2.85Å; K68-H72 PolarHBondContact O-N 3.39Å; F69-H72 WeakPolarHBondContact CA-NE2 3.26Å; H72-G74 PolarHBondContact ND1-N 2.93Å; H72-G74 VanDerWaalsContact ND1-N 3.16Å; H72-F75 WeakPolarHBondContact CB-O 3.33Å; H72-F75 PolarHBondContact ND1-N 2.85Å; H72-K135 VanDerWaalsContact O-CE 3.23Å; H72-K135 WeakPolarHBondContact O-CE 3.46Å; H72-K135 PolarHBondContact O-NZ 3.05Å
73	W	97.1	Very high	95.3	Very high	142 Å²	142	66.2 Å²	66.2	54%	0.538	35%	0.349	S	S	.	.	S	Bend	trans	-110.4	76.8	174.4	-164.2	67.8	0	0	0	110	F75 L127 E130 T131	W73-F75 VanDerWaalsContact C-N 3.28Å; W73-F75 PolarHBondContact O-N 3.4Å; W73-L127 HydrophobicContact CE3-CD2 3.92Å; W73-L127 HydrophobicContact CH2-CD2 4.28Å; W73-L127 HydrophobicContact CZ3-CD2 3.47Å; W73-L127 VanDerWaalsContact CZ3-CD2 3.47Å; W73-E130 HydrophobicContact CD2-CB 4.19Å; W73-E130 HydrophobicContact CG-CB 4.26Å; W73-E130 HydrophobicContact CZ2-CB 4.4Å; W73-E130 PolarHBondContact NE1-O 2.85Å; W73-T131 WeakPolarHBondContact CH2-OG1 3.45Å; W73-T131 WeakPolarHBondContact CZ2-OG1 3.26Å
74	G	97.4	Very high	95.1	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	35%	0.351	C	S	.	.	S	Bend	trans	84.9	-27.7	-178.4	0	0	0	0	0	116.5	H72 T99 E130	H72-G74 PolarHBondContact ND1-N 2.93Å; H72-G74 VanDerWaalsContact ND1-N 3.16Å; G74-T99 WeakPolarHBondContact O-CB 3.42Å; G74-T99 WeakPolarHBondContact O-CG2 3.49Å; G74-T99 PolarHBondContact O-OG1 3.37Å; G74-E130 WeakPolarHBondContact CA-OE1 3.44Å; G74-E130 PolarHBondContact N-OE1 3.3Å
75	F	97.7	Very high	95.1	Very high	47 Å²	47	66.3 Å²	66.3	21%	0.206	34%	0.335	C	S	.	.			trans	-137	122.2	-173.1	-55.7	-91.6	0	0	0	111.8	H72 W73 V77 I80 Q102 A123 T126 L127	H72-F75 WeakPolarHBondContact CB-O 3.33Å; H72-F75 PolarHBondContact ND1-N 2.85Å; W73-F75 VanDerWaalsContact C-N 3.28Å; W73-F75 PolarHBondContact O-N 3.4Å; F75-V77 PolarHBondContact O-N 3.41Å; F75-I80 HydrophobicContact CB-CD1 4.23Å; F75-I80 HydrophobicContact CD1-CD1 4.3Å; F75-Q102 HydrophobicContact CD1-CG 4.24Å; F75-Q102 HydrophobicContact CE1-CG 4.01Å; F75-A123 HydrophobicContact CE1-CB 4.12Å; F75-A123 HydrophobicContact CZ-CB 3.94Å; F75-T126 HydrophobicContact CE1-CG2 4.46Å; F75-T126 HydrophobicContact CE2-CG2 3.89Å; F75-T126 HydrophobicContact CZ-CG2 3.86Å; F75-L127 HydrophobicContact CD2-CD2 4.36Å; F75-L127 HydrophobicContact CE2-CD2 3.65Å; F75-L127 HydrophobicContact CE2-CG 3.9Å; F75-L127 HydrophobicContact CZ-CG 4.42Å
76	D	96.6	Very high	95	Very high	13 Å²	13	64.4 Å²	64.4	7%	0.07	33%	0.326	C	S	.	.			trans	-84	85.7	165.1	-175.5	-6.3	0	0	0	109.3	K68 A78 S79 I80 T99	K68-D76 WeakPolarHBondContact CD-OD2 3.49Å; K68-D76 IonicContact NZ-OD1 2.95Å; K68-D76 IonicContact NZ-OD2 3.09Å; D76-A78 PolarHBondContact O-N 3.37Å; D76-A78 PolarHBondContact OD1-N 2.99Å; D76-S79 VanDerWaalsContact CG-CB 3.42Å; D76-S79 PolarHBondContact O-N 3.26Å; D76-S79 PolarHBondContact OD1-N 3.13Å; D76-S79 VanDerWaalsContact OD1-N 3.08Å; D76-S79 VanDerWaalsContact OD2-CB 3.26Å; D76-S79 WeakPolarHBondContact OD2-CB 3.49Å; D76-S79 PolarHBondContact OD2-OG 3.24Å; D76-I80 WeakPolarHBondContact O-CG1 3.3Å; D76-I80 PolarHBondContact O-N 3.42Å; D76-T99 HydrophobicContact CB-CG2 4.27Å
77	V	94.2	Very high	94.7	Very high	87 Å²	87	65.9 Å²	65.9	53%	0.527	33%	0.334	S	S	.	.	H	α-helix	trans	-53	-41.9	-179.2	-176.9	0	0	0	0	111.3	F75 S79 I80 E81	F75-V77 PolarHBondContact O-N 3.41Å; V77-S79 PolarHBondContact O-N 3.45Å; V77-I80 PolarHBondContact O-N 3.39Å; V77-E81 HydrophobicContact CG1-CG 4.42Å; V77-E81 WeakPolarHBondContact O-CG 3.36Å; V77-E81 PolarHBondContact O-N 3.19Å
78	A	94.4	Very high	94.4	Very high	33 Å²	33	66.2 Å²	66.2	27%	0.273	34%	0.336	S	S	.	.	H	α-helix	trans	-66.4	-37.2	-180	0	0	0	0	0	112.2	D76 K82	D76-A78 PolarHBondContact O-N 3.37Å; D76-A78 PolarHBondContact OD1-N 2.99Å; A78-K82 WeakPolarHBondContact O-CB 3.32Å; A78-K82 WeakPolarHBondContact O-CD 3.33Å; A78-K82 WeakPolarHBondContact O-CG 3.33Å; A78-K82 PolarHBondContact O-N 3.24Å; A78-K82 VanDerWaalsContact O-N 3.11Å
79	S	93.6	Very high	94.2	Very high	44 Å²	44	72.4 Å²	72.4	31%	0.308	36%	0.357	S	S	.	.	H	α-helix	trans	-71.9	-35.9	174.5	-70.2	0	0	0	0	112.2	D76 V77 K82 A83 A97	D76-S79 VanDerWaalsContact CG-CB 3.42Å; D76-S79 PolarHBondContact O-N 3.26Å; D76-S79 PolarHBondContact OD1-N 3.13Å; D76-S79 VanDerWaalsContact OD1-N 3.08Å; D76-S79 VanDerWaalsContact OD2-CB 3.26Å; D76-S79 WeakPolarHBondContact OD2-CB 3.49Å; D76-S79 PolarHBondContact OD2-OG 3.24Å; V77-S79 PolarHBondContact O-N 3.45Å; S79-K82 PolarHBondContact O-N 3.42Å; S79-A83 WeakPolarHBondContact O-CB 3.21Å; S79-A83 PolarHBondContact O-N 3.07Å; S79-A97 WeakPolarHBondContact O-CB 3.37Å
80	I	92.5	Very high	93.7	Very high	51 Å²	51	75 Å²	75	26%	0.262	37%	0.371	S	S	.	.	H	α-helix	trans	-62.3	-50.6	173.9	-68	166.6	0	0	0	110.5	F75 D76 V77 K82 A83 L84 A97	F75-I80 HydrophobicContact CB-CD1 4.23Å; F75-I80 HydrophobicContact CD1-CD1 4.3Å; D76-I80 WeakPolarHBondContact O-CG1 3.3Å; D76-I80 PolarHBondContact O-N 3.42Å; V77-I80 PolarHBondContact O-N 3.39Å; I80-K82 VanDerWaalsContact C-N 3.33Å; I80-K82 PolarHBondContact O-N 3.07Å; I80-A83 PolarHBondContact O-N 2.76Å; I80-A83 VanDerWaalsContact O-N 3.17Å; I80-L84 HydrophobicContact CG2-CD1 3.96Å; I80-L84 HydrophobicContact CG2-CG 4.4Å; I80-L84 WeakPolarHBondContact O-CG 3.32Å; I80-L84 PolarHBondContact O-N 3.01Å; I80-A97 HydrophobicContact CB-CB 4.44Å; I80-A97 HydrophobicContact CG1-CB 3.94Å
81	E	93.6	Very high	92.9	Very high	124 Å²	124	79.1 Å²	79.1	58%	0.579	38%	0.383	S	S	*	.	H	α-helix	trans	-58.2	-44.7	177.3	-73.8	175.1	175.9	0	0	111.8	V77 A83 L84 A85	V77-E81 HydrophobicContact CG1-CG 4.42Å; V77-E81 WeakPolarHBondContact O-CG 3.36Å; V77-E81 PolarHBondContact O-N 3.19Å; E81-A83 PolarHBondContact O-N 3Å; E81-L84 PolarHBondContact O-N 2.94Å; E81-A85 WeakPolarHBondContact O-CB 3.27Å; E81-A85 PolarHBondContact O-N 2.77Å
82	K	93.1	Very high	92.2	Very high	139 Å²	139	79.5 Å²	79.5	60%	0.604	39%	0.39	S	S	*	.	H	α-helix	trans	-63	-39.6	176.2	-75.4	172.8	-175.9	180	0	112.7	A78 S79 I80 H86	A78-K82 WeakPolarHBondContact O-CB 3.32Å; A78-K82 WeakPolarHBondContact O-CD 3.33Å; A78-K82 WeakPolarHBondContact O-CG 3.33Å; A78-K82 PolarHBondContact O-N 3.24Å; A78-K82 VanDerWaalsContact O-N 3.11Å; S79-K82 PolarHBondContact O-N 3.42Å; I80-K82 VanDerWaalsContact C-N 3.33Å; I80-K82 PolarHBondContact O-N 3.07Å; K82-H86 VanDerWaalsContact O-CB 3.32Å; K82-H86 WeakPolarHBondContact O-CB 3.5Å; K82-H86 PolarHBondContact O-N 3.15Å
83	A	91.9	Very high	91.5	Very high	8 Å²	8	86.9 Å²	86.9	7%	0.066	42%	0.417	C	S	.	.	H	α-helix	trans	-69	-42.1	177.6	0	0	0	0	0	111.5	S79 I80 E81 H86 N87 R95 A97	S79-A83 WeakPolarHBondContact O-CB 3.21Å; S79-A83 PolarHBondContact O-N 3.07Å; I80-A83 PolarHBondContact O-N 2.76Å; I80-A83 VanDerWaalsContact O-N 3.17Å; E81-A83 PolarHBondContact O-N 3Å; A83-H86 PolarHBondContact O-N 3.01Å; A83-N87 WeakPolarHBondContact O-CB 3.4Å; A83-N87 PolarHBondContact O-N 2.96Å; A83-N87 PolarHBondContact O-ND2 3.08Å; A83-N87 PolarHBondContact O-OD1 2.82Å; A83-R95 HydrophobicContact CB-CB 4.2Å; A83-A97 HydrophobicContact CB-CB 3.67Å
84	L	91	Very high	90.9	Very high	98 Å²	98	85.9 Å²	85.9	51%	0.513	42%	0.421	S	S	.	.	H	α-helix	trans	-60.1	-52.1	174.6	-70.5	172.3	0	0	0	111.1	I80 E81 H86 N87 E88	I80-L84 HydrophobicContact CG2-CD1 3.96Å; I80-L84 HydrophobicContact CG2-CG 4.4Å; I80-L84 WeakPolarHBondContact O-CG 3.32Å; I80-L84 PolarHBondContact O-N 3.01Å; E81-L84 PolarHBondContact O-N 2.94Å; L84-H86 PolarHBondContact O-N 3.46Å; L84-N87 PolarHBondContact O-N 3.35Å; L84-N87 VanDerWaalsContact O-N 3.09Å; L84-E88 WeakPolarHBondContact O-CG 3.32Å; L84-E88 PolarHBondContact O-N 3.09Å
85	A	92.6	Very high	90.2	Very high	35 Å²	35	92.7 Å²	92.7	29%	0.289	45%	0.447	S	S	.	.	H	α-helix	trans	-61.4	-30.5	177.7	0	0	0	0	0	113.1	E81 R89	E81-A85 WeakPolarHBondContact O-CB 3.27Å; E81-A85 PolarHBondContact O-N 2.77Å; A85-R89 WeakPolarHBondContact O-CD 3.42Å; A85-R89 WeakPolarHBondContact O-CG 3.34Å
86	H	92.2	Very high	89.7	Confident	31 Å²	31	94 Å²	94	14%	0.144	47%	0.473	C	S	.	.	H	α-helix	trans	-70.7	-46.7	172.9	-177.8	76.2	0	0	0	111.8	K82 A83 L84 R89 N90 R93 R95	K82-H86 VanDerWaalsContact O-CB 3.32Å; K82-H86 WeakPolarHBondContact O-CB 3.5Å; K82-H86 PolarHBondContact O-N 3.15Å; A83-H86 PolarHBondContact O-N 3.01Å; L84-H86 PolarHBondContact O-N 3.46Å; H86-R89 CarbonylContact O-C 2.92Å; H86-R89 PolarHBondContact O-N 3.2Å; H86-R89 VanDerWaalsContact O-N 3.13Å; H86-N90 PolarHBondContact CE1-ND2 3.17Å; H86-N90 PolarHBondContact ND1-ND2 2.8Å; H86-N90 WeakPolarHBondContact O-CB 3.44Å; H86-N90 PolarHBondContact O-N 3.48Å; H86-N90 PolarHBondContact O-ND2 2.68Å; H86-R93 PolarHBondContact CD2-O 2.93Å; H86-R93 VanDerWaalsContact CD2-O 3.24Å; H86-R93 PolarHBondContact NE2-O 3.38Å; H86-R95 WeakPolarHBondContact CD2-CD 3.39Å; H86-R95 WeakPolarHBondContact CD2-CG 3.43Å; H86-R95 PolarHBondContact CD2-NE 3.16Å; H86-R95 PolarHBondContact CE1-NE 3.12Å; H86-R95 PolarHBondContact NE2-NE 3.5Å
87	N	90.7	Very high	89.5	Confident	40 Å²	40	94.6 Å²	94.6	21%	0.214	48%	0.48	C	S	.	.	H	α-helix	trans	-69.6	-34.7	-175.1	-64	-12.3	0	0	0	111.9	A83 L84 R89 N90 I94 R95	A83-N87 WeakPolarHBondContact O-CB 3.4Å; A83-N87 PolarHBondContact O-N 2.96Å; A83-N87 PolarHBondContact O-ND2 3.08Å; A83-N87 PolarHBondContact O-OD1 2.82Å; L84-N87 PolarHBondContact O-N 3.35Å; L84-N87 VanDerWaalsContact O-N 3.09Å; N87-R89 PolarHBondContact O-N 2.9Å; N87-N90 CarbonylContact O-C 3.58Å; N87-N90 PolarHBondContact O-N 2.87Å; N87-I94 WeakPolarHBondContact OD1-CA 3.42Å; N87-R95 PolarHBondContact ND2-O 2.73Å; N87-R95 PolarHBondContact OD1-N 2.58Å
88	E	90.2	Very high	89.5	Confident	157 Å²	157	92.6 Å²	92.6	73%	0.734	47%	0.47	S	S	*	.	H	α-helix	trans	-60.3	-30.8	171.3	-74.6	173.3	-176.3	0	0	112.6	L84	L84-E88 WeakPolarHBondContact O-CG 3.32Å; L84-E88 PolarHBondContact O-N 3.09Å
89	R	90.4	Very high	89.7	Confident	203 Å²	203	91.1 Å²	91.1	77%	0.766	46%	0.458	S	S	*	.	H	α-helix	trans	-94.6	-12.7	179.8	-62.8	174.6	-170.4	174.8	3.5	113.4	A85 H86 N87	A85-R89 WeakPolarHBondContact O-CD 3.42Å; A85-R89 WeakPolarHBondContact O-CG 3.34Å; H86-R89 CarbonylContact O-C 2.92Å; H86-R89 PolarHBondContact O-N 3.2Å; H86-R89 VanDerWaalsContact O-N 3.13Å; N87-R89 PolarHBondContact O-N 2.9Å
90	N	87	Confident	89.9	Confident	59 Å²	59	89 Å²	89	32%	0.316	44%	0.443	S	S	.	.			trans	-139.7	90.9	-170.9	-62.9	-93.6	0	0	0	110.4	H86 N87 N92 R93	H86-N90 PolarHBondContact CE1-ND2 3.17Å; H86-N90 PolarHBondContact ND1-ND2 2.8Å; H86-N90 WeakPolarHBondContact O-CB 3.44Å; H86-N90 PolarHBondContact O-N 3.48Å; H86-N90 PolarHBondContact O-ND2 2.68Å; N87-N90 CarbonylContact O-C 3.58Å; N87-N90 PolarHBondContact O-N 2.87Å; N90-N92 VanDerWaalsContact C-N 3.28Å; N90-N92 PolarHBondContact O-N 3.25Å; N90-R93 HydrophobicContact CB-CB 4.34Å; N90-R93 PolarHBondContact O-N 2.91Å
91	E	80	Confident	90.2	Very high	174 Å²	174	86.6 Å²	86.6	81%	0.813	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-32.6	177.9	-62.3	-178.1	172.8	0	0	112.5
92	N	83.1	Confident	90.4	Very high	162 Å²	162	81 Å²	81	87%	0.866	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-8.6	-175.6	-65.3	-34.4	0	0	0	114.3	N90	N90-N92 VanDerWaalsContact C-N 3.28Å; N90-N92 PolarHBondContact O-N 3.25Å
93	R	81.9	Confident	90.5	Very high	178 Å²	178	76 Å²	76	67%	0.672	38%	0.383	S	S	*	.			trans	-137.7	79.7	-173.9	-66.6	-179.1	70.3	177.7	3.8	110.7	H86 N90 R95	H86-R93 PolarHBondContact CD2-O 2.93Å; H86-R93 VanDerWaalsContact CD2-O 3.24Å; H86-R93 PolarHBondContact NE2-O 3.38Å; N90-R93 HydrophobicContact CB-CB 4.34Å; N90-R93 PolarHBondContact O-N 2.91Å; R93-R95 PolarHBondContact O-N 3.46Å
94	I	84.2	Confident	90.8	Very high	121 Å²	121	75.6 Å²	75.6	62%	0.621	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-75.1	121.8	177.5	-57.7	177.7	0	0	0	109.5	N87	N87-I94 WeakPolarHBondContact OD1-CA 3.42Å
95	R	84.4	Confident	91.1	Very high	142 Å²	142	70.9 Å²	70.9	54%	0.536	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-88.7	135.2	167.9	-74.8	-179.5	-173.1	-170.2	-4.4	110.6	A83 H86 N87 R93	A83-R95 HydrophobicContact CB-CB 4.2Å; H86-R95 WeakPolarHBondContact CD2-CD 3.39Å; H86-R95 WeakPolarHBondContact CD2-CG 3.43Å; H86-R95 PolarHBondContact CD2-NE 3.16Å; H86-R95 PolarHBondContact CE1-NE 3.12Å; H86-R95 PolarHBondContact NE2-NE 3.5Å; N87-R95 PolarHBondContact ND2-O 2.73Å; N87-R95 PolarHBondContact OD1-N 2.58Å; R93-R95 PolarHBondContact O-N 3.46Å
96	G	86.9	Confident	91.3	Very high	74 Å²	74	71.3 Å²	71.3	76%	0.763	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-82.6	157.6	165.7	0	0	0	0	0	111.5
97	A	92.1	Very high	91.5	Very high	27 Å²	27	70.5 Å²	70.5	22%	0.223	35%	0.347	C	S	.	.			trans	-145.9	26.2	174.4	0	0	0	0	0	111.6	S79 I80 A83	S79-A97 WeakPolarHBondContact O-CB 3.37Å; I80-A97 HydrophobicContact CB-CB 4.44Å; I80-A97 HydrophobicContact CG1-CB 3.94Å; A83-A97 HydrophobicContact CB-CB 3.67Å
98	S	94.8	Very high	91.8	Very high	44 Å²	44	69 Å²	69	31%	0.308	34%	0.339	S	S	.	.			trans	-77.1	127.5	178	-64	0	0	0	0	109.9	Q103 K119	S98-Q103 PolarHBondContact O-NE2 2.93Å; S98-K119 PolarHBondContact OG-NZ 2.68Å; S98-K119 VanDerWaalsContact OG-NZ 3.16Å
99	T	97.5	Very high	92.1	Very high	2 Å²	2	62.3 Å²	62.3	1%	0.012	31%	0.308	C	S	.	.			trans	-72.2	166.2	176.7	65.8	0	0	0	0	112.2	D66 G74 D76 S101 Q102 Q103	D66-T99 VanDerWaalsContact OD2-CA 3.32Å; D66-T99 WeakPolarHBondContact OD2-CA 3.45Å; D66-T99 WeakPolarHBondContact OD2-CB 3.49Å; G74-T99 WeakPolarHBondContact O-CB 3.42Å; G74-T99 WeakPolarHBondContact O-CG2 3.49Å; G74-T99 PolarHBondContact O-OG1 3.37Å; D76-T99 HydrophobicContact CB-CG2 4.27Å; T99-S101 PolarHBondContact O-N 3.02Å; T99-S101 PolarHBondContact OG1-N 3.08Å; T99-Q102 WeakPolarHBondContact O-CB 3.4Å; T99-Q102 PolarHBondContact O-N 2.9Å; T99-Q102 VanDerWaalsContact O-N 3.15Å; T99-Q102 WeakPolarHBondContact OG1-CG 3.12Å; T99-Q102 PolarHBondContact OG1-N 3.31Å; T99-Q102 VanDerWaalsContact OG1-N 3.1Å; T99-Q102 PolarHBondContact OG1-OE1 3.11Å; T99-Q103 WeakPolarHBondContact O-CG 3.3Å; T99-Q103 PolarHBondContact O-N 2.93Å
100	I	97.9	Very high	92.2	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-56.5	-37.7	172.5	-75	167	0	0	0	110.8	V61 I62 E65 D66 F69 Q103 T104 I138 L139 Y142	V61-I100 HydrophobicContact CG1-CD1 3.78Å; V61-I100 HydrophobicContact CG1-CG1 4.26Å; I62-I100 HydrophobicContact CG1-CD1 4.11Å; E65-I100 HydrophobicContact CB-CG1 4.12Å; D66-I100 HydrophobicContact CB-CB 4.34Å; D66-I100 HydrophobicContact CB-CD1 3.79Å; D66-I100 HydrophobicContact CB-CG1 3.67Å; D66-I100 PolarHBondContact OD2-N 3.43Å; F69-I100 HydrophobicContact CB-CD1 4.2Å; F69-I100 HydrophobicContact CD1-CD1 4.49Å; F69-I100 HydrophobicContact CD2-CB 3.71Å; F69-I100 HydrophobicContact CD2-CD1 4.16Å; F69-I100 HydrophobicContact CD2-CG1 4.46Å; F69-I100 HydrophobicContact CD2-CG2 4.1Å; F69-I100 HydrophobicContact CE2-CB 3.84Å; F69-I100 HydrophobicContact CE2-CG2 3.73Å; F69-I100 HydrophobicContact CG-CB 4.44Å; F69-I100 HydrophobicContact CG-CD1 4.02Å; F69-I100 HydrophobicContact CZ-CG2 4.18Å; I100-Q103 PolarHBondContact O-N 3.15Å; I100-T104 WeakPolarHBondContact O-CB 3.26Å; I100-T104 PolarHBondContact O-N 3.17Å; I100-T104 PolarHBondContact O-OG1 3.34Å; I100-I138 HydrophobicContact CG2-CG2 4.15Å; I100-L139 HydrophobicContact CD1-CD1 4.31Å; I100-Y142 HydrophobicContact CG2-CD1 4.37Å; I100-Y142 HydrophobicContact CG2-CD2 3.89Å; I100-Y142 HydrophobicContact CG2-CG 3.77Å
101	S	98.4	Very high	92.4	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-65.7	-42.7	178	-54.8	0	0	0	0	112	T99 T104 A105 E130	T99-S101 PolarHBondContact O-N 3.02Å; T99-S101 PolarHBondContact OG1-N 3.08Å; S101-T104 PolarHBondContact O-N 3.39Å; S101-A105 WeakPolarHBondContact O-CB 3.39Å; S101-A105 PolarHBondContact O-N 2.88Å; S101-E130 VanDerWaalsContact CB-OE1 3.31Å; S101-E130 WeakPolarHBondContact CB-OE1 3.33Å; S101-E130 PolarHBondContact OG-OE1 3.49Å
102	Q	97.7	Very high	92.5	Very high	7 Å²	7	49.9 Å²	49.9	3%	0.033	25%	0.252	C	S	.	.	H	α-helix	trans	-63.7	-44.9	174.6	-75.5	178.9	-70.5	0	0	112.1	F75 T99 T104 A105 K106 E122 T126	F75-Q102 HydrophobicContact CD1-CG 4.24Å; F75-Q102 HydrophobicContact CE1-CG 4.01Å; T99-Q102 WeakPolarHBondContact O-CB 3.4Å; T99-Q102 PolarHBondContact O-N 2.9Å; T99-Q102 VanDerWaalsContact O-N 3.15Å; T99-Q102 WeakPolarHBondContact OG1-CG 3.12Å; T99-Q102 PolarHBondContact OG1-N 3.31Å; T99-Q102 VanDerWaalsContact OG1-N 3.1Å; T99-Q102 PolarHBondContact OG1-OE1 3.11Å; Q102-T104 VanDerWaalsContact C-N 3.32Å; Q102-T104 PolarHBondContact O-N 2.92Å; Q102-A105 PolarHBondContact O-N 3.09Å; Q102-K106 WeakPolarHBondContact O-CB 3.43Å; Q102-K106 PolarHBondContact O-N 2.89Å; Q102-E122 WeakPolarHBondContact CB-OE1 3.49Å; Q102-T126 WeakPolarHBondContact CA-OG1 3.41Å; Q102-T126 HydrophobicContact CG-CG2 3.9Å
103	Q	96.7	Very high	92.4	Very high	33 Å²	33	43.8 Å²	43.8	15%	0.154	23%	0.228	C	C	.	.	H	α-helix	trans	-63.7	-39.4	176.9	-66.7	-171	56.8	0	0	111.5	E65 S98 T99 I100 K106 N107 Y142	E65-Q103 PolarHBondContact OE2-NE2 3Å; S98-Q103 PolarHBondContact O-NE2 2.93Å; T99-Q103 WeakPolarHBondContact O-CG 3.3Å; T99-Q103 PolarHBondContact O-N 2.93Å; I100-Q103 PolarHBondContact O-N 3.15Å; Q103-K106 PolarHBondContact O-N 3.23Å; Q103-N107 WeakPolarHBondContact O-CB 3.12Å; Q103-N107 PolarHBondContact O-N 3.28Å; Q103-Y142 HydrophobicContact CB-CD2 4.25Å; Q103-Y142 HydrophobicContact CB-CE2 3.77Å
104	T	97.9	Very high	92.4	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-61.8	-48.1	174.4	-56.6	0	0	0	0	111.2	I100 S101 Q102 K106 N107 L108 W133 V141 Y142 I145	I100-T104 WeakPolarHBondContact O-CB 3.26Å; I100-T104 PolarHBondContact O-N 3.17Å; I100-T104 PolarHBondContact O-OG1 3.34Å; S101-T104 PolarHBondContact O-N 3.39Å; Q102-T104 VanDerWaalsContact C-N 3.32Å; Q102-T104 PolarHBondContact O-N 2.92Å; T104-K106 VanDerWaalsContact C-N 3.33Å; T104-K106 PolarHBondContact O-N 3.23Å; T104-N107 PolarHBondContact O-N 3.47Å; T104-L108 WeakPolarHBondContact O-CB 3.47Å; T104-L108 PolarHBondContact O-N 2.57Å; T104-W133 HydrophobicContact CG2-CZ3 4.11Å; T104-V141 HydrophobicContact CG2-CB 4.23Å; T104-V141 HydrophobicContact CG2-CG1 3.77Å; T104-Y142 WeakPolarHBondContact OG1-CB 3.3Å; T104-I145 HydrophobicContact CG2-CD1 4.37Å
105	A	97.7	Very high	92.6	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-58.3	-45.7	177	0	0	0	0	0	111.7	S101 Q102 F109 E122 L125 I129	S101-A105 WeakPolarHBondContact O-CB 3.39Å; S101-A105 PolarHBondContact O-N 2.88Å; Q102-A105 PolarHBondContact O-N 3.09Å; A105-F109 PolarHBondContact O-N 3.08Å; A105-F109 VanDerWaalsContact O-N 3.17Å; A105-E122 HydrophobicContact CB-CG 4.39Å; A105-L125 HydrophobicContact CB-CB 3.97Å; A105-I129 HydrophobicContact CB-CD1 3.77Å
106	K	96.2	Very high	92.8	Very high	44 Å²	44	48.4 Å²	48.4	19%	0.191	25%	0.246	C	C	.	.	H	α-helix	trans	-59.6	-57.9	176.3	-176.2	-159.6	66.7	143.1	0	110.8	Q102 Q103 T104 L108 L110 D112 E122	Q102-K106 WeakPolarHBondContact O-CB 3.43Å; Q102-K106 PolarHBondContact O-N 2.89Å; Q103-K106 PolarHBondContact O-N 3.23Å; T104-K106 VanDerWaalsContact C-N 3.33Å; T104-K106 PolarHBondContact O-N 3.23Å; K106-L108 VanDerWaalsContact C-N 3.32Å; K106-L108 PolarHBondContact O-N 3.25Å; K106-L110 CarbonylContact O-C 3.6Å; K106-L110 VanDerWaalsContact O-C 3.29Å; K106-L110 WeakPolarHBondContact O-CA 3.34Å; K106-L110 WeakPolarHBondContact O-CB 3.19Å; K106-L110 PolarHBondContact O-N 2.9Å; K106-L110 VanDerWaalsContact O-O 3.06Å; K106-D112 IonicContact NZ-OD1 2.86Å; K106-D112 PolarHBondContact NZ-OD1 3.17Å; K106-E122 HydrophobicContact CB-CG 4.3Å
107	N	95.8	Very high	93.1	Very high	13 Å²	13	50.3 Å²	50.3	7%	0.07	24%	0.242	C	C	.	.	H	α-helix	trans	-62.9	-40.3	-172.7	-71.9	-5.9	0	0	0	111.8	S23 A24 V25 Q103 T104 I145	S23-N107 VanDerWaalsContact CB-O 3.26Å; S23-N107 WeakPolarHBondContact CB-O 3.38Å; S23-N107 PolarHBondContact OG-O 3.46Å; A24-N107 PolarHBondContact N-O 3.4Å; A24-N107 VanDerWaalsContact N-O 3.12Å; V25-N107 HydrophobicContact CG2-CB 4.36Å; V25-N107 PolarHBondContact N-O 3.11Å; V25-N107 VanDerWaalsContact N-O 3.16Å; Q103-N107 WeakPolarHBondContact O-CB 3.12Å; Q103-N107 PolarHBondContact O-N 3.28Å; T104-N107 PolarHBondContact O-N 3.47Å; N107-I145 HydrophobicContact CB-CD1 3.78Å; N107-I145 HydrophobicContact CB-CG1 4.11Å
108	L	96.7	Very high	93.1	Very high	8 Å²	8	50 Å²	50	4%	0.042	24%	0.236	C	C	.	.	H	α-helix	trans	-73.7	-48.3	-174.8	-175.2	53.4	0	0	0	113	F15 V20 A24 T104 K106 W133 V141 I145	F15-L108 HydrophobicContact CD2-CD1 4.32Å; F15-L108 HydrophobicContact CD2-CD2 4.07Å; F15-L108 HydrophobicContact CE2-CD1 4.38Å; V20-L108 HydrophobicContact CG1-CD1 3.47Å; V20-L108 VanDerWaalsContact CG1-CD1 3.47Å; V20-L108 HydrophobicContact CG2-CD1 4.31Å; A24-L108 WeakPolarHBondContact CB-O 3.42Å; A24-L108 PolarHBondContact N-O 2.84Å; A24-L108 VanDerWaalsContact N-O 3.08Å; T104-L108 WeakPolarHBondContact O-CB 3.47Å; T104-L108 PolarHBondContact O-N 2.57Å; K106-L108 VanDerWaalsContact C-N 3.32Å; K106-L108 PolarHBondContact O-N 3.25Å; L108-W133 HydrophobicContact CD2-CH2 3.61Å; L108-W133 HydrophobicContact CD2-CZ2 4.41Å; L108-V141 HydrophobicContact CD2-CG1 4.31Å; L108-I145 HydrophobicContact CB-CD1 3.79Å; L108-I145 HydrophobicContact CD1-CD1 4.48Å
109	F	96	Very high	93	Very high	18 Å²	18	51.1 Å²	51.1	8%	0.079	24%	0.235	C	C	.	.	H	α-helix	trans	-113.3	-13	-165.8	-66.2	-64.5	0	0	0	114.6	W8 I12 F15 A105 L125 I129	W8-F109 AromaticContact CD1-CD1 4Å; I12-F109 HydrophobicContact CG1-CE2 3.73Å; I12-F109 HydrophobicContact CG1-CZ 3.8Å; F15-F109 HydrophobicContact CD2-CE1 4.34Å; F15-F109 HydrophobicContact CD2-CZ 4.25Å; A105-F109 PolarHBondContact O-N 3.08Å; A105-F109 VanDerWaalsContact O-N 3.17Å; F109-L125 HydrophobicContact CB-CD1 3.76Å; F109-L125 HydrophobicContact CB-CD2 4.49Å; F109-L125 HydrophobicContact CD2-CD1 4.5Å; F109-L125 HydrophobicContact CD2-CD2 4.2Å; F109-L125 HydrophobicContact CG-CD1 4.45Å; F109-L125 HydrophobicContact CG-CD2 4.39Å; F109-I129 HydrophobicContact CD2-CD1 4.37Å; F109-I129 HydrophobicContact CE2-CD1 4.07Å; F109-I129 HydrophobicContact CE2-CG1 4.45Å
110	L	93.9	Very high	92.8	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.01	26%	0.257	C	S	.	.	S	Bend	trans	-127.4	-176.2	-174	-54.7	177.2	0	0	0	110.7	W8 A24 K106 R118 L121 E122 L125	W8-L110 HydrophobicContact CZ2-CD2 4.2Å; A24-L110 WeakPolarHBondContact CB-O 3.39Å; K106-L110 CarbonylContact O-C 3.6Å; K106-L110 VanDerWaalsContact O-C 3.29Å; K106-L110 WeakPolarHBondContact O-CA 3.34Å; K106-L110 WeakPolarHBondContact O-CB 3.19Å; K106-L110 PolarHBondContact O-N 2.9Å; K106-L110 VanDerWaalsContact O-O 3.06Å; L110-R118 HydrophobicContact CD1-CG 4.14Å; L110-L121 HydrophobicContact CD1-CB 4.29Å; L110-L121 HydrophobicContact CD2-CB 4.34Å; L110-E122 HydrophobicContact CD1-CB 3.82Å; L110-L125 HydrophobicContact CD1-CD1 3.95Å; L110-L125 HydrophobicContact CD2-CD1 3.86Å; L110-L125 HydrophobicContact CG-CD1 3.8Å
111	W	89.8	Confident	92.6	Very high	132 Å²	132	56 Å²	56	50%	0.5	27%	0.272	S	S	.	.			trans	-114.3	166.6	-179.2	59.5	100.5	0	0	0	111	E28 R118	E28-W111 WeakPolarHBondContact OE2-CA 3.22Å; E28-W111 WeakPolarHBondContact OE2-CB 3.43Å; W111-R118 VanDerWaalsContact O-CD 3.3Å; W111-R118 WeakPolarHBondContact O-CD 3.4Å
112	D	83	Confident	92.5	Very high	41 Å²	41	56.1 Å²	56.1	22%	0.219	27%	0.272	C	S	.	.	S	Bend	trans	-70.5	128.9	169.2	-79.6	-30	0	0	0	110.6	E28 R29 K106	E28-D112 PolarHBondContact OE2-N 2.82Å; R29-D112 IonicContact CZ-OD2 2.68Å; R29-D112 IonicContact NH1-OD2 3.37Å; R29-D112 PolarHBondContact NH1-OD2 3.24Å; R29-D112 IonicContact NH2-OD2 3.48Å; R29-D112 PolarHBondContact NH2-OD2 3.09Å; K106-D112 IonicContact NZ-OD1 2.86Å; K106-D112 PolarHBondContact NZ-OD1 3.17Å
113	G	81.2	Confident	92.4	Very high	34 Å²	34	57.3 Å²	57.3	35%	0.351	28%	0.283	S	S	.	.			trans	170.5	157.2	-179.8	0	0	0	0	0	111.4	R118	G113-R118 PolarHBondContact O-NE 2.95Å; G113-R118 PolarHBondContact O-NH2 3.26Å
114	R	81.1	Confident	92.4	Very high	244 Å²	244	57.9 Å²	57.9	92%	0.921	30%	0.298	S	S	*	.			trans	-111.2	96.1	175	-66.7	-175.9	179.8	-179.9	0.6	108.4
115	S	89.7	Confident	92.4	Very high	54 Å²	54	58.2 Å²	58.2	38%	0.378	30%	0.3	S	S	.	.			trans	-141.4	143.3	168.6	78.3	0	0	0	0	110.4	V117 R118 K119	S115-V117 VanDerWaalsContact C-N 3.25Å; S115-V117 PolarHBondContact O-N 3.09Å; S115-R118 PolarHBondContact O-N 2.89Å; S115-R118 WeakPolarHBondContact OG-CB 3.34Å; S115-R118 PolarHBondContact OG-N 2.91Å; S115-R118 VanDerWaalsContact OG-N 3.1Å; S115-K119 PolarHBondContact O-N 3.21Å
116	W	88.6	Confident	92.4	Very high	239 Å²	239	58.2 Å²	58.2	91%	0.905	30%	0.3	S	S	*	.	H	α-helix	trans	-61.1	-37.1	177.7	-70.6	101.1	0	0	0	111.9	K119 G120	W116-K119 PolarHBondContact O-N 2.86Å; W116-G120 PolarHBondContact O-N 3.16Å
117	V	91.5	Very high	92.5	Very high	114 Å²	114	59.6 Å²	59.6	69%	0.691	31%	0.308	S	S	*	.	H	α-helix	trans	-60.9	-49.6	174.9	179.2	0	0	0	0	110.8	S115 K119 G120 L121	S115-V117 VanDerWaalsContact C-N 3.25Å; S115-V117 PolarHBondContact O-N 3.09Å; V117-K119 VanDerWaalsContact C-N 3.3Å; V117-K119 PolarHBondContact O-N 3.1Å; V117-G120 PolarHBondContact O-N 3.43Å; V117-G120 VanDerWaalsContact O-N 3.16Å; V117-L121 WeakPolarHBondContact O-CG 3.36Å; V117-L121 PolarHBondContact O-N 2.68Å
118	R	93	Very high	92.5	Very high	22 Å²	22	60 Å²	60	8%	0.083	32%	0.316	C	S	.	.	H	α-helix	trans	-60.6	-41.1	177.3	-172.5	-156.4	64.6	71.4	-0.9	111.2	L110 W111 G113 S115 G120 L121 E122	L110-R118 HydrophobicContact CD1-CG 4.14Å; W111-R118 VanDerWaalsContact O-CD 3.3Å; W111-R118 WeakPolarHBondContact O-CD 3.4Å; G113-R118 PolarHBondContact O-NE 2.95Å; G113-R118 PolarHBondContact O-NH2 3.26Å; S115-R118 PolarHBondContact O-N 2.89Å; S115-R118 WeakPolarHBondContact OG-CB 3.34Å; S115-R118 PolarHBondContact OG-N 2.91Å; S115-R118 VanDerWaalsContact OG-N 3.1Å; R118-G120 VanDerWaalsContact C-N 3.32Å; R118-G120 PolarHBondContact O-N 2.62Å; R118-L121 PolarHBondContact O-N 3.15Å; R118-E122 IonicContact CZ-OE2 3.98Å; R118-E122 IonicContact NH1-OE2 2.75Å; R118-E122 PolarHBondContact NH1-OE2 2.98Å; R118-E122 IonicContact NH2-OE2 3.09Å; R118-E122 PolarHBondContact NH2-OE2 3.37Å; R118-E122 WeakPolarHBondContact O-CB 3.5Å; R118-E122 PolarHBondContact O-N 3.2Å
119	K	92.3	Very high	92.6	Very high	66 Å²	66	59.7 Å²	59.7	29%	0.287	31%	0.314	S	S	.	.	H	α-helix	trans	-65.7	-34.6	177.7	-167.5	64.2	177.1	175.7	0	112.3	S98 S115 W116 V117 E122 A123	S98-K119 PolarHBondContact OG-NZ 2.68Å; S98-K119 VanDerWaalsContact OG-NZ 3.16Å; S115-K119 PolarHBondContact O-N 3.21Å; W116-K119 PolarHBondContact O-N 2.86Å; V117-K119 VanDerWaalsContact C-N 3.3Å; V117-K119 PolarHBondContact O-N 3.1Å; K119-E122 IonicContact NZ-OE1 2.77Å; K119-E122 PolarHBondContact NZ-OE1 2.83Å; K119-E122 IonicContact NZ-OE2 3.22Å; K119-E122 PolarHBondContact O-N 3.41Å; K119-A123 PolarHBondContact O-N 3.47Å
120	G	93.2	Very high	92.7	Very high	47 Å²	47	59.4 Å²	59.4	49%	0.485	31%	0.313	S	S	.	.	H	α-helix	trans	-65.2	-43.6	171.4	0	0	0	0	0	112.8	W116 V117 R118 A123 G124	W116-G120 PolarHBondContact O-N 3.16Å; V117-G120 PolarHBondContact O-N 3.43Å; V117-G120 VanDerWaalsContact O-N 3.16Å; R118-G120 VanDerWaalsContact C-N 3.32Å; R118-G120 PolarHBondContact O-N 2.62Å; G120-A123 PolarHBondContact O-N 2.68Å; G120-G124 PolarHBondContact O-N 3.44Å; G120-G124 VanDerWaalsContact O-N 3.13Å
121	L	94.4	Very high	92.9	Very high	58 Å²	58	63.7 Å²	63.7	30%	0.304	34%	0.34	S	S	.	.	H	α-helix	trans	-62.3	-44.1	173.8	-66.1	177.7	0	0	0	111.9	W8 L110 V117 R118 A123 G124 L125	W8-L121 HydrophobicContact CH2-CD1 3.88Å; W8-L121 HydrophobicContact CH2-CD2 3.63Å; W8-L121 HydrophobicContact CH2-CG 4.22Å; W8-L121 HydrophobicContact CZ2-CD1 4.4Å; W8-L121 HydrophobicContact CZ3-CD2 3.86Å; L110-L121 HydrophobicContact CD1-CB 4.29Å; L110-L121 HydrophobicContact CD2-CB 4.34Å; V117-L121 WeakPolarHBondContact O-CG 3.36Å; V117-L121 PolarHBondContact O-N 2.68Å; R118-L121 PolarHBondContact O-N 3.15Å; L121-A123 VanDerWaalsContact C-N 3.27Å; L121-A123 PolarHBondContact O-N 3.36Å; L121-G124 PolarHBondContact O-N 3.39Å; L121-L125 WeakPolarHBondContact O-CG 3.26Å; L121-L125 PolarHBondContact O-N 3.48Å
122	E	96.3	Very high	93.3	Very high	3 Å²	3	61.2 Å²	61.2	1%	0.014	34%	0.339	C	S	.	.	H	α-helix	trans	-56.5	-43.2	175.3	-173.8	-166.9	112.7	0	0	110.8	Q102 A105 K106 L110 R118 K119 L125 T126	Q102-E122 WeakPolarHBondContact CB-OE1 3.49Å; A105-E122 HydrophobicContact CB-CG 4.39Å; K106-E122 HydrophobicContact CB-CG 4.3Å; L110-E122 HydrophobicContact CD1-CB 3.82Å; R118-E122 IonicContact CZ-OE2 3.98Å; R118-E122 IonicContact NH1-OE2 2.75Å; R118-E122 PolarHBondContact NH1-OE2 2.98Å; R118-E122 IonicContact NH2-OE2 3.09Å; R118-E122 PolarHBondContact NH2-OE2 3.37Å; R118-E122 WeakPolarHBondContact O-CB 3.5Å; R118-E122 PolarHBondContact O-N 3.2Å; K119-E122 IonicContact NZ-OE1 2.77Å; K119-E122 PolarHBondContact NZ-OE1 2.83Å; K119-E122 IonicContact NZ-OE2 3.22Å; K119-E122 PolarHBondContact O-N 3.41Å; E122-L125 PolarHBondContact O-N 3.47Å; E122-T126 WeakPolarHBondContact O-CB 3.46Å; E122-T126 PolarHBondContact O-N 2.96Å; E122-T126 PolarHBondContact O-OG1 2.71Å
123	A	96.1	Very high	94	Very high	31 Å²	31	59.8 Å²	59.8	26%	0.256	33%	0.331	S	S	.	.	H	α-helix	trans	-62.7	-46.4	177.8	0	0	0	0	0	112.1	F75 K119 G120 L121 L125 T126 L127	F75-A123 HydrophobicContact CE1-CB 4.12Å; F75-A123 HydrophobicContact CZ-CB 3.94Å; K119-A123 PolarHBondContact O-N 3.47Å; G120-A123 PolarHBondContact O-N 2.68Å; L121-A123 VanDerWaalsContact C-N 3.27Å; L121-A123 PolarHBondContact O-N 3.36Å; A123-L125 PolarHBondContact O-N 2.93Å; A123-T126 WeakPolarHBondContact O-CB 3.48Å; A123-T126 PolarHBondContact O-N 3.23Å; A123-L127 WeakPolarHBondContact O-CG 3.41Å; A123-L127 PolarHBondContact O-N 2.87Å; A123-L127 VanDerWaalsContact O-N 3.09Å
124	G	96	Very high	94.8	Very high	45 Å²	45	61.7 Å²	61.7	46%	0.464	34%	0.339	S	S	.	.	H	α-helix	trans	-61.4	-43.3	176.3	0	0	0	0	0	113.2	G120 L121 L127 G128	G120-G124 PolarHBondContact O-N 3.44Å; G120-G124 VanDerWaalsContact O-N 3.13Å; L121-G124 PolarHBondContact O-N 3.39Å; G124-L127 PolarHBondContact O-N 2.93Å; G124-G128 PolarHBondContact O-N 3.33Å; G124-G128 VanDerWaalsContact O-N 3.09Å
125	L	97.3	Very high	95.6	Very high	8 Å²	8	52.6 Å²	52.6	4%	0.042	31%	0.306	C	S	.	.	H	α-helix	trans	-64.9	-39.2	175.9	-72.8	167.4	0	0	0	112.4	W8 I12 A105 F109 L110 L121 E122 A123 L127 G128 I129	W8-L125 HydrophobicContact CB-CD2 3.64Å; W8-L125 HydrophobicContact CD2-CD2 3.89Å; W8-L125 HydrophobicContact CE3-CD2 4.32Å; W8-L125 HydrophobicContact CG-CD2 3.59Å; I12-L125 HydrophobicContact CD1-CD2 4.07Å; A105-L125 HydrophobicContact CB-CB 3.97Å; F109-L125 HydrophobicContact CB-CD1 3.76Å; F109-L125 HydrophobicContact CB-CD2 4.49Å; F109-L125 HydrophobicContact CD2-CD1 4.5Å; F109-L125 HydrophobicContact CD2-CD2 4.2Å; F109-L125 HydrophobicContact CG-CD1 4.45Å; F109-L125 HydrophobicContact CG-CD2 4.39Å; L110-L125 HydrophobicContact CD1-CD1 3.95Å; L110-L125 HydrophobicContact CD2-CD1 3.86Å; L110-L125 HydrophobicContact CG-CD1 3.8Å; L121-L125 WeakPolarHBondContact O-CG 3.26Å; L121-L125 PolarHBondContact O-N 3.48Å; E122-L125 PolarHBondContact O-N 3.47Å; A123-L125 PolarHBondContact O-N 2.93Å; L125-L127 VanDerWaalsContact C-N 3.34Å; L125-L127 PolarHBondContact O-N 3.37Å; L125-G128 PolarHBondContact O-N 3.45Å; L125-I129 WeakPolarHBondContact O-CB 3.32Å; L125-I129 WeakPolarHBondContact O-CG1 3.19Å; L125-I129 PolarHBondContact O-N 3.49Å
126	T	98.1	Very high	96	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-60.2	-45.1	176.8	-58.7	0	0	0	0	110.8	F75 Q102 E122 A123 I129 E130	F75-T126 HydrophobicContact CE1-CG2 4.46Å; F75-T126 HydrophobicContact CE2-CG2 3.89Å; F75-T126 HydrophobicContact CZ-CG2 3.86Å; Q102-T126 WeakPolarHBondContact CA-OG1 3.41Å; Q102-T126 HydrophobicContact CG-CG2 3.9Å; E122-T126 WeakPolarHBondContact O-CB 3.46Å; E122-T126 PolarHBondContact O-N 2.96Å; E122-T126 PolarHBondContact O-OG1 2.71Å; A123-T126 WeakPolarHBondContact O-CB 3.48Å; A123-T126 PolarHBondContact O-N 3.23Å; T126-I129 PolarHBondContact O-N 3.37Å; T126-E130 WeakPolarHBondContact O-CB 3.5Å; T126-E130 WeakPolarHBondContact O-CG 3.49Å; T126-E130 PolarHBondContact O-N 2.92Å
127	L	97.4	Very high	96.4	Very high	72 Å²	72	46.5 Å²	46.5	38%	0.377	28%	0.278	S	S	.	.	H	α-helix	trans	-61.3	-44.7	175.3	-66.8	170.3	0	0	0	111.4	W73 F75 A123 G124 L125 I129 E130 T131	W73-L127 HydrophobicContact CE3-CD2 3.92Å; W73-L127 HydrophobicContact CH2-CD2 4.28Å; W73-L127 HydrophobicContact CZ3-CD2 3.47Å; W73-L127 VanDerWaalsContact CZ3-CD2 3.47Å; F75-L127 HydrophobicContact CD2-CD2 4.36Å; F75-L127 HydrophobicContact CE2-CD2 3.65Å; F75-L127 HydrophobicContact CE2-CG 3.9Å; F75-L127 HydrophobicContact CZ-CG 4.42Å; A123-L127 WeakPolarHBondContact O-CG 3.41Å; A123-L127 PolarHBondContact O-N 2.87Å; A123-L127 VanDerWaalsContact O-N 3.09Å; G124-L127 PolarHBondContact O-N 2.93Å; L125-L127 VanDerWaalsContact C-N 3.34Å; L125-L127 PolarHBondContact O-N 3.37Å; L127-I129 PolarHBondContact O-N 3.44Å; L127-E130 PolarHBondContact O-N 3.17Å; L127-T131 WeakPolarHBondContact O-CB 3.32Å; L127-T131 PolarHBondContact O-N 3.41Å; L127-T131 PolarHBondContact O-OG1 2.97Å
128	G	97.2	Very high	96.8	Very high	23 Å²	23	41.1 Å²	41.1	24%	0.237	25%	0.245	C	C	.	.	H	α-helix	trans	-60.1	-44.3	176.2	0	0	0	0	0	112.8	G124 L125 T131 V132	G124-G128 PolarHBondContact O-N 3.33Å; G124-G128 VanDerWaalsContact O-N 3.09Å; L125-G128 PolarHBondContact O-N 3.45Å; G128-T131 PolarHBondContact O-N 2.96Å; G128-V132 WeakPolarHBondContact O-CG2 3.16Å; G128-V132 PolarHBondContact O-N 2.89Å
129	I	98.4	Very high	97	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-62.1	-50.7	176.7	-73.9	168.8	0	0	0	111	I12 A105 F109 L125 T126 L127 T131 V132 W133 I138	I12-I129 HydrophobicContact CD1-CG1 4.25Å; I12-I129 HydrophobicContact CG1-CG1 4.02Å; A105-I129 HydrophobicContact CB-CD1 3.77Å; F109-I129 HydrophobicContact CD2-CD1 4.37Å; F109-I129 HydrophobicContact CE2-CD1 4.07Å; F109-I129 HydrophobicContact CE2-CG1 4.45Å; L125-I129 WeakPolarHBondContact O-CB 3.32Å; L125-I129 WeakPolarHBondContact O-CG1 3.19Å; L125-I129 PolarHBondContact O-N 3.49Å; T126-I129 PolarHBondContact O-N 3.37Å; L127-I129 PolarHBondContact O-N 3.44Å; I129-T131 PolarHBondContact O-N 2.95Å; I129-V132 PolarHBondContact O-N 2.72Å; I129-V132 VanDerWaalsContact O-N 3.15Å; I129-W133 HydrophobicContact CG1-CZ2 4.49Å; I129-W133 HydrophobicContact CG2-CB 4.31Å; I129-W133 HydrophobicContact CG2-CD2 3.83Å; I129-W133 HydrophobicContact CG2-CE3 3.63Å; I129-W133 HydrophobicContact CG2-CG 4.15Å; I129-W133 HydrophobicContact CG2-CZ3 4.19Å; I129-W133 VanDerWaalsContact O-CB 3.28Å; I129-W133 WeakPolarHBondContact O-CB 3.37Å; I129-W133 PolarHBondContact O-N 2.63Å; I129-I138 HydrophobicContact CG2-CD1 3.98Å; I129-I138 HydrophobicContact CG2-CG1 3.66Å
130	E	98.3	Very high	97.3	Very high	12 Å²	12	37.8 Å²	37.8	6%	0.056	23%	0.233	C	C	.	.	H	α-helix	trans	-67.9	-20.5	-178.8	-73.2	-89.9	-160.9	0	0	113.3	W73 G74 S101 T126 L127 K135 I138	W73-E130 HydrophobicContact CD2-CB 4.19Å; W73-E130 HydrophobicContact CG-CB 4.26Å; W73-E130 HydrophobicContact CZ2-CB 4.4Å; W73-E130 PolarHBondContact NE1-O 2.85Å; G74-E130 WeakPolarHBondContact CA-OE1 3.44Å; G74-E130 PolarHBondContact N-OE1 3.3Å; S101-E130 VanDerWaalsContact CB-OE1 3.31Å; S101-E130 WeakPolarHBondContact CB-OE1 3.33Å; S101-E130 PolarHBondContact OG-OE1 3.49Å; T126-E130 WeakPolarHBondContact O-CB 3.5Å; T126-E130 WeakPolarHBondContact O-CG 3.49Å; T126-E130 PolarHBondContact O-N 2.92Å; L127-E130 PolarHBondContact O-N 3.17Å; E130-K135 VanDerWaalsContact CD-NZ 3.34Å; E130-K135 IonicContact OE1-NZ 3.62Å; E130-K135 PolarHBondContact OE1-NZ 3.26Å; E130-K135 VanDerWaalsContact OE2-CE 3.26Å; E130-K135 WeakPolarHBondContact OE2-CE 3.39Å; E130-K135 IonicContact OE2-NZ 3.57Å; E130-K135 PolarHBondContact OE2-NZ 3.25Å; E130-K135 VanDerWaalsContact OE2-NZ 3.09Å; E130-I138 HydrophobicContact CG-CD1 4.19Å
131	T	97.7	Very high	97.6	Very high	93 Å²	93	35.6 Å²	35.6	57%	0.571	21%	0.21	S	C	*	.	H	α-helix	trans	-74.4	-39.1	172.3	-56.3	0	0	0	0	111.8	W73 L127 G128 I129	W73-T131 WeakPolarHBondContact CH2-OG1 3.45Å; W73-T131 WeakPolarHBondContact CZ2-OG1 3.26Å; L127-T131 WeakPolarHBondContact O-CB 3.32Å; L127-T131 PolarHBondContact O-N 3.41Å; L127-T131 PolarHBondContact O-OG1 2.97Å; G128-T131 PolarHBondContact O-N 2.96Å; I129-T131 PolarHBondContact O-N 2.95Å
132	V	97.7	Very high	97.7	Very high	80 Å²	80	32.8 Å²	32.8	49%	0.485	20%	0.195	S	C	.	.	H	α-helix	trans	-101.2	-31.7	-169.1	-177.3	0	0	0	0	112.2	I12 G128 I129	I12-V132 HydrophobicContact CG2-CB 3.95Å; I12-V132 HydrophobicContact CG2-CG1 4.35Å; I12-V132 HydrophobicContact CG2-CG2 3.99Å; G128-V132 WeakPolarHBondContact O-CG2 3.16Å; G128-V132 PolarHBondContact O-N 2.89Å; I129-V132 PolarHBondContact O-N 2.72Å; I129-V132 VanDerWaalsContact O-N 3.15Å
133	W	98.3	Very high	97.8	Very high	11 Å²	11	32.7 Å²	32.7	4%	0.042	19%	0.194	C	C	.	.	S	Bend	trans	-103.1	140.4	-170.6	-61.1	9.7	0	0	0	111.1	I12 F15 S16 T104 L108 I129 R137 I138 V141	I12-W133 PolarHBondContact O-NE1 3.25Å; F15-W133 VanDerWaalsContact C-CZ2 3.5Å; F15-W133 HydrophobicContact CB-CH2 3.95Å; F15-W133 HydrophobicContact CB-CZ2 3.66Å; F15-W133 WeakPolarHBondContact O-CZ2 3.22Å; S16-W133 VanDerWaalsContact CA-NE1 3.31Å; S16-W133 VanDerWaalsContact CB-NE1 3.33Å; T104-W133 HydrophobicContact CG2-CZ3 4.11Å; L108-W133 HydrophobicContact CD2-CH2 3.61Å; L108-W133 HydrophobicContact CD2-CZ2 4.41Å; I129-W133 HydrophobicContact CG1-CZ2 4.49Å; I129-W133 HydrophobicContact CG2-CB 4.31Å; I129-W133 HydrophobicContact CG2-CD2 3.83Å; I129-W133 HydrophobicContact CG2-CE3 3.63Å; I129-W133 HydrophobicContact CG2-CG 4.15Å; I129-W133 HydrophobicContact CG2-CZ3 4.19Å; I129-W133 VanDerWaalsContact O-CB 3.28Å; I129-W133 WeakPolarHBondContact O-CB 3.37Å; I129-W133 PolarHBondContact O-N 2.63Å; W133-R137 HydrophobicContact CB-CB 4.32Å; W133-R137 HydrophobicContact CB-CG 4.24Å; W133-R137 HydrophobicContact CD2-CG 4.19Å; W133-R137 HydrophobicContact CE3-CG 4.17Å; W133-R137 HydrophobicContact CG-CG 4.23Å; W133-I138 HydrophobicContact CB-CD1 4.25Å; W133-I138 HydrophobicContact CB-CG1 3.76Å; W133-I138 HydrophobicContact CE3-CG1 3.93Å; W133-V141 HydrophobicContact CE3-CG2 4.26Å; W133-V141 HydrophobicContact CH2-CG1 4.22Å; W133-V141 HydrophobicContact CH2-CG2 4.06Å; W133-V141 HydrophobicContact CZ3-CB 3.84Å; W133-V141 HydrophobicContact CZ3-CG1 3.92Å; W133-V141 HydrophobicContact CZ3-CG2 3.6Å
134	S	98.1	Very high	97.9	Very high	74 Å²	74	31.2 Å²	31.2	52%	0.517	18%	0.182	S	C	.	.			trans	-68.4	154.2	166.3	66.6	0	0	0	0	111.2	K136 R137 I138	S134-K136 PolarHBondContact O-N 3.18Å; S134-R137 WeakPolarHBondContact O-CA 3.48Å; S134-R137 WeakPolarHBondContact O-CB 3.47Å; S134-R137 PolarHBondContact O-N 3.41Å; S134-R137 PolarHBondContact OG-N 3.36Å; S134-I138 PolarHBondContact O-N 2.75Å
135	K	98.1	Very high	97.9	Very high	52 Å²	52	29.1 Å²	29.1	23%	0.226	16%	0.16	C	C	.	.	H	α-helix	trans	-52.2	-39.7	172.5	-67.9	-64.5	-174	171.2	0	113	F69 H72 E130 R137 I138 L139	F69-K135 HydrophobicContact CE1-CB 3.99Å; F69-K135 HydrophobicContact CE1-CD 4.07Å; F69-K135 WeakPolarHBondContact CE1-O 3.47Å; F69-K135 HydrophobicContact CE2-CD 3.99Å; F69-K135 HydrophobicContact CZ-CB 4.19Å; F69-K135 HydrophobicContact CZ-CD 3.77Å; F69-K135 WeakPolarHBondContact CZ-O 3.3Å; F69-K135 WeakPolarHBondContact O-CD 3.25Å; F69-K135 WeakPolarHBondContact O-CE 3.3Å; F69-K135 PolarHBondContact O-NZ 2.93Å; H72-K135 VanDerWaalsContact O-CE 3.23Å; H72-K135 WeakPolarHBondContact O-CE 3.46Å; H72-K135 PolarHBondContact O-NZ 3.05Å; E130-K135 VanDerWaalsContact CD-NZ 3.34Å; E130-K135 IonicContact OE1-NZ 3.62Å; E130-K135 PolarHBondContact OE1-NZ 3.26Å; E130-K135 VanDerWaalsContact OE2-CE 3.26Å; E130-K135 WeakPolarHBondContact OE2-CE 3.39Å; E130-K135 IonicContact OE2-NZ 3.57Å; E130-K135 PolarHBondContact OE2-NZ 3.25Å; E130-K135 VanDerWaalsContact OE2-NZ 3.09Å; K135-R137 VanDerWaalsContact C-N 3.34Å; K135-R137 PolarHBondContact O-N 2.91Å; K135-I138 HydrophobicContact CD-CD1 4.42Å; K135-I138 PolarHBondContact O-N 3.44Å; K135-L139 WeakPolarHBondContact O-CB 3.39Å; K135-L139 PolarHBondContact O-N 3.08Å
136	K	97.8	Very high	97.9	Very high	134 Å²	134	28.7 Å²	28.7	58%	0.583	16%	0.158	S	C	*	.	H	α-helix	trans	-59.4	-45.3	174.7	-174	180	178.4	-178.4	0	111.2	M50 S134 L139 T140	M50-K136 HydrophobicContact CB-CG 4.37Å; M50-K136 HydrophobicContact CG-CD 4.36Å; M50-K136 HydrophobicContact CG-CG 3.9Å; S134-K136 PolarHBondContact O-N 3.18Å; K136-L139 PolarHBondContact O-N 2.53Å; K136-T140 WeakPolarHBondContact O-CB 3.44Å; K136-T140 PolarHBondContact O-N 2.9Å; K136-T140 PolarHBondContact O-OG1 2.98Å
137	R	98.2	Very high	97.7	Very high	32 Å²	32	30.5 Å²	30.5	12%	0.121	17%	0.167	C	C	.	.	H	α-helix	trans	-66	-45.1	179	178.6	64.1	-170.7	174.1	10.5	111.8	F15 S16 A18 W47 W133 S134 K135 L139 T140 V141	F15-R137 PolarHBondContact O-NE 3.21Å; F15-R137 PolarHBondContact O-NH2 2.7Å; S16-R137 VanDerWaalsContact O-CD 3.3Å; S16-R137 WeakPolarHBondContact O-CD 3.47Å; S16-R137 WeakPolarHBondContact O-CG 3.46Å; S16-R137 PolarHBondContact O-NE 3.16Å; A18-R137 PolarHBondContact O-NH2 3.09Å; W47-R137 VanDerWaalsContact CZ2-NH1 3.3Å; W133-R137 HydrophobicContact CB-CB 4.32Å; W133-R137 HydrophobicContact CB-CG 4.24Å; W133-R137 HydrophobicContact CD2-CG 4.19Å; W133-R137 HydrophobicContact CE3-CG 4.17Å; W133-R137 HydrophobicContact CG-CG 4.23Å; S134-R137 WeakPolarHBondContact O-CA 3.48Å; S134-R137 WeakPolarHBondContact O-CB 3.47Å; S134-R137 PolarHBondContact O-N 3.41Å; S134-R137 PolarHBondContact OG-N 3.36Å; K135-R137 VanDerWaalsContact C-N 3.34Å; K135-R137 PolarHBondContact O-N 2.91Å; R137-L139 VanDerWaalsContact C-N 3.34Å; R137-L139 PolarHBondContact O-N 2.8Å; R137-T140 WeakPolarHBondContact O-CB 3.41Å; R137-T140 PolarHBondContact O-N 3.3Å; R137-T140 VanDerWaalsContact O-N 3.17Å; R137-V141 WeakPolarHBondContact O-CG2 3.41Å; R137-V141 PolarHBondContact O-N 3.5Å
138	I	98.6	Very high	97.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-55.9	-50.7	176.1	-65.9	161.1	0	0	0	110.1	F69 I100 I129 E130 W133 S134 K135 T140 V141 Y142	F69-I138 HydrophobicContact CE2-CB 4.41Å; F69-I138 HydrophobicContact CE2-CG2 3.83Å; F69-I138 HydrophobicContact CZ-CB 3.97Å; F69-I138 HydrophobicContact CZ-CG2 3.83Å; I100-I138 HydrophobicContact CG2-CG2 4.15Å; I129-I138 HydrophobicContact CG2-CD1 3.98Å; I129-I138 HydrophobicContact CG2-CG1 3.66Å; E130-I138 HydrophobicContact CG-CD1 4.19Å; W133-I138 HydrophobicContact CB-CD1 4.25Å; W133-I138 HydrophobicContact CB-CG1 3.76Å; W133-I138 HydrophobicContact CE3-CG1 3.93Å; S134-I138 PolarHBondContact O-N 2.75Å; K135-I138 HydrophobicContact CD-CD1 4.42Å; K135-I138 PolarHBondContact O-N 3.44Å; I138-T140 VanDerWaalsContact C-N 3.31Å; I138-T140 PolarHBondContact O-N 3.25Å; I138-V141 PolarHBondContact O-N 2.86Å; I138-Y142 WeakPolarHBondContact O-CB 3.42Å; I138-Y142 PolarHBondContact O-N 3.47Å
139	L	98.3	Very high	97.1	Very high	11 Å²	11	27.4 Å²	27.4	6%	0.058	15%	0.149	C	C	.	.	H	α-helix	trans	-61.6	-39.3	178.1	-176.5	62.2	0	0	0	112.3	M50 V61 I62 F69 I100 K135 K136 R137 Y142 L143	M50-L139 HydrophobicContact CE-CD2 3.78Å; M50-L139 HydrophobicContact CE-CG 4.35Å; V61-L139 HydrophobicContact CG1-CD1 4.38Å; I62-L139 HydrophobicContact CD1-CD2 4.02Å; I62-L139 HydrophobicContact CG1-CD1 4.46Å; F69-L139 HydrophobicContact CE1-CB 4Å; F69-L139 HydrophobicContact CZ-CB 4.25Å; I100-L139 HydrophobicContact CD1-CD1 4.31Å; K135-L139 WeakPolarHBondContact O-CB 3.39Å; K135-L139 PolarHBondContact O-N 3.08Å; K136-L139 PolarHBondContact O-N 2.53Å; R137-L139 VanDerWaalsContact C-N 3.34Å; R137-L139 PolarHBondContact O-N 2.8Å; L139-Y142 PolarHBondContact O-N 3.16Å; L139-L143 HydrophobicContact CD1-CD1 4.03Å; L139-L143 HydrophobicContact CD1-CG 4.17Å; L139-L143 HydrophobicContact CG-CD1 3.89Å; L139-L143 HydrophobicContact CG-CG 4.43Å; L139-L143 WeakPolarHBondContact O-CB 3.19Å; L139-L143 VanDerWaalsContact O-CG 3.25Å; L139-L143 WeakPolarHBondContact O-CG 3.43Å; L139-L143 PolarHBondContact O-N 2.66Å
140	T	98.4	Very high	96.5	Very high	8 Å²	8	33.8 Å²	33.8	5%	0.049	18%	0.184	C	C	.	.	H	α-helix	trans	-61.2	-47.8	176.3	-51.4	0	0	0	0	111	W47 M50 K136 R137 I138 N144	W47-T140 HydrophobicContact CH2-CG2 4.18Å; W47-T140 HydrophobicContact CZ2-CG2 3.85Å; M50-T140 HydrophobicContact CB-CG2 4.3Å; M50-T140 WeakPolarHBondContact CB-OG1 3.46Å; K136-T140 WeakPolarHBondContact O-CB 3.44Å; K136-T140 PolarHBondContact O-N 2.9Å; K136-T140 PolarHBondContact O-OG1 2.98Å; R137-T140 WeakPolarHBondContact O-CB 3.41Å; R137-T140 PolarHBondContact O-N 3.3Å; R137-T140 VanDerWaalsContact O-N 3.17Å; I138-T140 VanDerWaalsContact C-N 3.31Å; I138-T140 PolarHBondContact O-N 3.25Å; T140-N144 PolarHBondContact O-N 3.29Å; T140-N144 PolarHBondContact O-ND2 3.4Å
141	V	98.3	Very high	96	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-64.2	-48.6	179.2	173.9	0	0	0	0	110	V20 W47 T104 L108 W133 R137 I138 L143 N144 I145	V20-V141 HydrophobicContact CG2-CG1 3.99Å; V20-V141 HydrophobicContact CG2-CG2 4.23Å; W47-V141 HydrophobicContact CH2-CB 4.39Å; W47-V141 HydrophobicContact CH2-CG2 3.74Å; W47-V141 HydrophobicContact CZ3-CG2 4.29Å; T104-V141 HydrophobicContact CG2-CB 4.23Å; T104-V141 HydrophobicContact CG2-CG1 3.77Å; L108-V141 HydrophobicContact CD2-CG1 4.31Å; W133-V141 HydrophobicContact CE3-CG2 4.26Å; W133-V141 HydrophobicContact CH2-CG1 4.22Å; W133-V141 HydrophobicContact CH2-CG2 4.06Å; W133-V141 HydrophobicContact CZ3-CB 3.84Å; W133-V141 HydrophobicContact CZ3-CG1 3.92Å; W133-V141 HydrophobicContact CZ3-CG2 3.6Å; R137-V141 WeakPolarHBondContact O-CG2 3.41Å; R137-V141 PolarHBondContact O-N 3.5Å; I138-V141 PolarHBondContact O-N 2.86Å; V141-L143 VanDerWaalsContact C-N 3.34Å; V141-L143 PolarHBondContact O-N 2.85Å; V141-N144 CarbonylContact O-C 3.46Å; V141-N144 PolarHBondContact O-N 3.37Å; V141-I145 HydrophobicContact CG1-CD1 3.91Å; V141-I145 HydrophobicContact CG1-CG1 4.42Å; V141-I145 HydrophobicContact CG1-CG2 4.37Å; V141-I145 WeakPolarHBondContact O-CG1 3.16Å; V141-I145 PolarHBondContact O-N 3.48Å
142	Y	98.1	Very high	95.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-49.9	-54.2	176.4	178.7	-92.1	0	0	0	111.5	V61 I100 Q103 T104 I138 L139 N144 I145 A146 A180	V61-Y142 HydrophobicContact CB-CE1 4.45Å; V61-Y142 HydrophobicContact CG1-CD1 3.78Å; V61-Y142 HydrophobicContact CG1-CE1 3.29Å; V61-Y142 HydrophobicContact CG2-CE1 4.32Å; I100-Y142 HydrophobicContact CG2-CD1 4.37Å; I100-Y142 HydrophobicContact CG2-CD2 3.89Å; I100-Y142 HydrophobicContact CG2-CG 3.77Å; Q103-Y142 HydrophobicContact CB-CD2 4.25Å; Q103-Y142 HydrophobicContact CB-CE2 3.77Å; T104-Y142 WeakPolarHBondContact OG1-CB 3.3Å; I138-Y142 WeakPolarHBondContact O-CB 3.42Å; I138-Y142 PolarHBondContact O-N 3.47Å; L139-Y142 PolarHBondContact O-N 3.16Å; Y142-N144 PolarHBondContact O-N 3.28Å; Y142-N144 VanDerWaalsContact O-N 3.15Å; Y142-I145 PolarHBondContact O-N 3.02Å; Y142-I145 VanDerWaalsContact O-N 3.09Å; Y142-A146 HydrophobicContact CE1-CB 4.14Å; Y142-A146 HydrophobicContact CE2-CB 4.4Å; Y142-A146 VanDerWaalsContact O-CB 3.32Å; Y142-A146 WeakPolarHBondContact O-CB 3.42Å; Y142-A146 PolarHBondContact O-N 3.39Å; Y142-A180 HydrophobicContact CE1-CB 4.13Å; Y142-A180 WeakPolarHBondContact OH-CB 3.36Å
143	L	97.9	Very high	95.6	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-63.4	-21.9	-178.4	-72.5	171.1	0	0	0	113.3	I53 M57 V61 L139 V141 F148 G154 V155	I53-L143 HydrophobicContact CD1-CB 4.06Å; I53-L143 HydrophobicContact CD1-CD1 4.1Å; I53-L143 HydrophobicContact CG2-CD1 4.05Å; M57-L143 HydrophobicContact CG-CD2 3.93Å; V61-L143 HydrophobicContact CB-CD2 4.28Å; V61-L143 HydrophobicContact CG2-CD2 3.53Å; L139-L143 HydrophobicContact CD1-CD1 4.03Å; L139-L143 HydrophobicContact CD1-CG 4.17Å; L139-L143 HydrophobicContact CG-CD1 3.89Å; L139-L143 HydrophobicContact CG-CG 4.43Å; L139-L143 WeakPolarHBondContact O-CB 3.19Å; L139-L143 VanDerWaalsContact O-CG 3.25Å; L139-L143 WeakPolarHBondContact O-CG 3.43Å; L139-L143 PolarHBondContact O-N 2.66Å; V141-L143 VanDerWaalsContact C-N 3.34Å; V141-L143 PolarHBondContact O-N 2.85Å; L143-F148 HydrophobicContact CD2-CZ 4.26Å; L143-G154 CarbonylContact O-C 3.16Å; L143-G154 VanDerWaalsContact O-CA 3.28Å; L143-G154 WeakPolarHBondContact O-CA 3.3Å; L143-V155 HydrophobicContact CB-CB 4.5Å; L143-V155 HydrophobicContact CB-CG1 4.22Å; L143-V155 WeakPolarHBondContact O-CB 3.31Å; L143-V155 PolarHBondContact O-N 3.24Å
144	N	97.9	Very high	95.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-93.5	-14.7	177.2	-80.3	-76.1	0	0	0	113.6	S45 W47 V48 T140 V141 Y142 G154	S45-N144 VanDerWaalsContact CB-O 3.25Å; S45-N144 WeakPolarHBondContact CB-O 2.95Å; S45-N144 PolarHBondContact OG-O 3.42Å; W47-N144 VanDerWaalsContact CA-OD1 3.3Å; W47-N144 WeakPolarHBondContact CA-OD1 3.36Å; W47-N144 HydrophobicContact CD2-CB 4.16Å; W47-N144 HydrophobicContact CE3-CB 3.43Å; W47-N144 VanDerWaalsContact CE3-CB 3.43Å; W47-N144 HydrophobicContact CH2-CB 4.33Å; W47-N144 HydrophobicContact CZ3-CB 3.53Å; V48-N144 PolarHBondContact N-OD1 3.23Å; V48-N144 PolarHBondContact O-ND2 2.86Å; T140-N144 PolarHBondContact O-N 3.29Å; T140-N144 PolarHBondContact O-ND2 3.4Å; V141-N144 CarbonylContact O-C 3.46Å; V141-N144 PolarHBondContact O-N 3.37Å; Y142-N144 PolarHBondContact O-N 3.28Å; Y142-N144 VanDerWaalsContact O-N 3.15Å; N144-G154 WeakPolarHBondContact O-CA 3.26Å
145	I	96.8	Very high	95.5	Very high	1 Å²	1	22 Å²	22	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-120.1	-9.9	-177	73.8	176.1	0	0	0	114.5	V20 M26 T104 N107 L108 V141 Y142 F153	V20-I145 HydrophobicContact CB-CG2 4.26Å; V20-I145 HydrophobicContact CG1-CG2 3.91Å; M26-I145 HydrophobicContact CE-CB 4.3Å; M26-I145 HydrophobicContact CE-CG2 4.43Å; T104-I145 HydrophobicContact CG2-CD1 4.37Å; N107-I145 HydrophobicContact CB-CD1 3.78Å; N107-I145 HydrophobicContact CB-CG1 4.11Å; L108-I145 HydrophobicContact CB-CD1 3.79Å; L108-I145 HydrophobicContact CD1-CD1 4.48Å; V141-I145 HydrophobicContact CG1-CD1 3.91Å; V141-I145 HydrophobicContact CG1-CG1 4.42Å; V141-I145 HydrophobicContact CG1-CG2 4.37Å; V141-I145 WeakPolarHBondContact O-CG1 3.16Å; V141-I145 PolarHBondContact O-N 3.48Å; Y142-I145 PolarHBondContact O-N 3.02Å; Y142-I145 VanDerWaalsContact O-N 3.09Å; I145-F153 WeakPolarHBondContact O-CD1 3.23Å
146	A	95.8	Very high	95.5	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.107	C	C	.	.	S	Bend	trans	-69.3	150.4	176.1	0	0	0	0	0	111.6	Y142 F148 F153 G154 A180	Y142-A146 HydrophobicContact CE1-CB 4.14Å; Y142-A146 HydrophobicContact CE2-CB 4.4Å; Y142-A146 VanDerWaalsContact O-CB 3.32Å; Y142-A146 WeakPolarHBondContact O-CB 3.42Å; Y142-A146 PolarHBondContact O-N 3.39Å; A146-F148 HydrophobicContact CB-CE2 4.18Å; A146-F153 WeakPolarHBondContact O-CA 3.37Å; A146-G154 PolarHBondContact O-N 3.15Å; A146-A180 HydrophobicContact CB-CB 3.69Å
147	E	94.5	Very high	95.4	Very high	37 Å²	37	14.6 Å²	14.6	17%	0.173	8%	0.083	C	C	.	.	B	Isolated β-bridge	trans	-95.4	101.6	-177.3	-171.9	171.8	-159	0	0	109.2	R29 G149 G151 V152 F153	R29-E147 IonicContact CZ-OE2 3.16Å; R29-E147 IonicContact NE-OE1 3.84Å; R29-E147 IonicContact NE-OE2 2.72Å; R29-E147 PolarHBondContact NE-OE2 3.43Å; R29-E147 IonicContact NH2-OE2 3.19Å; R29-E147 PolarHBondContact NH2-OE2 3.22Å; E147-G149 VanDerWaalsContact CG-O 3.22Å; E147-G149 WeakPolarHBondContact CG-O 3.33Å; E147-G149 PolarHBondContact O-N 3.26Å; E147-G151 PolarHBondContact OE1-N 3.27Å; E147-V152 CarbonylContact C-O 3.6Å; E147-F153 HydrophobicContact CB-CD1 3.87Å; E147-F153 HydrophobicContact CB-CE1 3.61Å; E147-F153 HydrophobicContact CB-CZ 4.17Å; E147-F153 HydrophobicContact CG-CD1 4.3Å; E147-F153 HydrophobicContact CG-CE1 3.89Å; E147-F153 HydrophobicContact CG-CE2 4.38Å; E147-F153 HydrophobicContact CG-CZ 3.92Å
148	F	93.5	Very high	95.3	Very high	11 Å²	11	13.1 Å²	13.1	5%	0.048	8%	0.077	C	C	.	.	S	Bend	trans	-84.3	7.3	-178.6	-70.9	-89.2	0	0	0	113.6	M57 L143 A146 V152 V155 A158 Y162 L178 R179 A180	M57-F148 HydrophobicContact CE-CE1 3.83Å; M57-F148 HydrophobicContact CE-CZ 4.33Å; L143-F148 HydrophobicContact CD2-CZ 4.26Å; A146-F148 HydrophobicContact CB-CE2 4.18Å; F148-V152 PolarHBondContact N-O 2.77Å; F148-V155 HydrophobicContact CE2-CB 4.24Å; F148-V155 HydrophobicContact CZ-CB 4.31Å; F148-A158 HydrophobicContact CB-CB 3.55Å; F148-A158 HydrophobicContact CD1-CB 4.41Å; F148-A158 HydrophobicContact CD2-CB 3.96Å; F148-A158 HydrophobicContact CG-CB 3.73Å; F148-Y162 PolarHBondContact O-OH 2.94Å; F148-Y162 VanDerWaalsContact O-OH 3.11Å; F148-L178 HydrophobicContact CD1-CB 3.86Å; F148-L178 HydrophobicContact CE1-CB 4.04Å; F148-R179 WeakPolarHBondContact CA-O 3.36Å; F148-A180 HydrophobicContact CD1-CB 4.01Å; F148-A180 HydrophobicContact CE1-CB 3.67Å; F148-A180 HydrophobicContact CE2-CB 4.43Å; F148-A180 HydrophobicContact CZ-CB 3.9Å
149	G	88.8	Confident	95.2	Very high	20 Å²	20	13.1 Å²	13.1	21%	0.206	8%	0.077	C	C	.	.	S	Bend	trans	160.6	169.2	-177.1	0	0	0	0	0	110.4	E147 G151 V152 Y162	E147-G149 VanDerWaalsContact CG-O 3.22Å; E147-G149 WeakPolarHBondContact CG-O 3.33Å; E147-G149 PolarHBondContact O-N 3.26Å; G149-G151 PolarHBondContact O-N 2.74Å; G149-V152 PolarHBondContact O-N 3.1Å; G149-Y162 WeakPolarHBondContact CA-OH 3.48Å
150	D	86.4	Confident	95.1	Very high	134 Å²	134	16.2 Å²	16.2	72%	0.717	9%	0.091	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	107	-174.7	-175	29.4	0	0	0	112	V152	D150-V152 VanDerWaalsContact C-N 3.31Å; D150-V152 PolarHBondContact O-N 2.99Å
151	G	86.8	Confident	95	Very high	12 Å²	12	23 Å²	23	12%	0.124	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.4	13.2	-176.6	0	0	0	0	0	116.7	Y41 E147 G149	Y41-G151 WeakPolarHBondContact OH-CA 3.41Å; E147-G151 PolarHBondContact OE1-N 3.27Å; G149-G151 PolarHBondContact O-N 2.74Å
152	V	92.4	Very high	94.8	Very high	8 Å²	8	27.8 Å²	27.8	5%	0.048	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	90.8	-176.6	-170.2	0	0	0	0	109.2	E147 F148 G149 D150 A157 A158	E147-V152 CarbonylContact C-O 3.6Å; F148-V152 PolarHBondContact N-O 2.77Å; G149-V152 PolarHBondContact O-N 3.1Å; D150-V152 VanDerWaalsContact C-N 3.31Å; D150-V152 PolarHBondContact O-N 2.99Å; V152-A157 HydrophobicContact CG1-CB 4.29Å; V152-A158 HydrophobicContact CG1-CB 4.02Å
153	F	95.4	Very high	94.7	Very high	1 Å²	1	30.5 Å²	30.5	0%	0.004	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	136	-178.9	-65	-93.4	0	0	0	112.1	V25 M26 R29 A43 H44 S45 I145 A146 E147 A157	V25-F153 HydrophobicContact CG1-CE1 4.04Å; V25-F153 HydrophobicContact CG1-CZ 4.4Å; M26-F153 HydrophobicContact CE-CB 3.29Å; M26-F153 HydrophobicContact CE-CD1 3.96Å; M26-F153 HydrophobicContact CE-CG 3.77Å; M26-F153 HydrophobicContact CG-CB 4.17Å; M26-F153 HydrophobicContact CG-CD1 3.58Å; M26-F153 HydrophobicContact CG-CD2 3.87Å; M26-F153 HydrophobicContact CG-CE1 3.8Å; M26-F153 HydrophobicContact CG-CE2 4.09Å; M26-F153 HydrophobicContact CG-CG 3.6Å; M26-F153 HydrophobicContact CG-CZ 4.05Å; M26-F153 HydrophobicContact SD-CB 4.49Å; R29-F153 HydrophobicContact CB-CZ 4.31Å; R29-F153 HydrophobicContact CG-CZ 3.87Å; A43-F153 HydrophobicContact CB-CD2 4.04Å; A43-F153 HydrophobicContact CB-CE2 3.77Å; H44-F153 WeakPolarHBondContact O-CB 3.36Å; S45-F153 WeakPolarHBondContact CA-O 3.39Å; S45-F153 WeakPolarHBondContact CB-O 3.39Å; I145-F153 WeakPolarHBondContact O-CD1 3.23Å; A146-F153 WeakPolarHBondContact O-CA 3.37Å; E147-F153 HydrophobicContact CB-CD1 3.87Å; E147-F153 HydrophobicContact CB-CE1 3.61Å; E147-F153 HydrophobicContact CB-CZ 4.17Å; E147-F153 HydrophobicContact CG-CD1 4.3Å; E147-F153 HydrophobicContact CG-CE1 3.89Å; E147-F153 HydrophobicContact CG-CE2 4.38Å; E147-F153 HydrophobicContact CG-CZ 3.92Å; F153-A157 WeakPolarHBondContact O-CB 3.41Å
154	G	96.9	Very high	94.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.182	C	C	.	.	S	Bend	trans	83.7	149.1	179	0	0	0	0	0	113.6	L143 N144 A146 E156 A157 A158	L143-G154 CarbonylContact O-C 3.16Å; L143-G154 VanDerWaalsContact O-CA 3.28Å; L143-G154 WeakPolarHBondContact O-CA 3.3Å; N144-G154 WeakPolarHBondContact O-CA 3.26Å; A146-G154 PolarHBondContact O-N 3.15Å; G154-E156 VanDerWaalsContact C-N 3.34Å; G154-E156 PolarHBondContact O-N 3.06Å; G154-A157 PolarHBondContact O-N 3.22Å; G154-A158 WeakPolarHBondContact O-CB 3.42Å; G154-A158 PolarHBondContact O-N 3.35Å
155	V	97.4	Very high	94.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-65	-35.6	-174.2	61.9	0	0	0	0	112.6	V48 I53 M57 L143 F148 A158 A159 A167 L170	V48-V155 HydrophobicContact CG2-CG1 4.04Å; I53-V155 HydrophobicContact CD1-CG1 3.87Å; I53-V155 HydrophobicContact CG1-CG1 3.89Å; I53-V155 HydrophobicContact CG2-CG1 4.37Å; M57-V155 HydrophobicContact CB-CG2 4.5Å; M57-V155 HydrophobicContact CG-CG2 3.64Å; M57-V155 HydrophobicContact SD-CG2 4Å; L143-V155 HydrophobicContact CB-CB 4.5Å; L143-V155 HydrophobicContact CB-CG1 4.22Å; L143-V155 WeakPolarHBondContact O-CB 3.31Å; L143-V155 PolarHBondContact O-N 3.24Å; F148-V155 HydrophobicContact CE2-CB 4.24Å; F148-V155 HydrophobicContact CZ-CB 4.31Å; V155-A158 PolarHBondContact O-N 2.61Å; V155-A159 VanDerWaalsContact O-CB 3.25Å; V155-A159 WeakPolarHBondContact O-CB 3.33Å; V155-A159 PolarHBondContact O-N 3.45Å; V155-A167 HydrophobicContact CG1-CB 4.04Å; V155-A167 HydrophobicContact CG2-CB 3.9Å; V155-L170 HydrophobicContact CG2-CD1 3.95Å
156	E	97.7	Very high	94.6	Very high	23 Å²	23	44.9 Å²	44.9	11%	0.107	22%	0.216	C	C	.	.	H	α-helix	trans	-66	-51.6	179.3	-177.2	61.4	-155.8	0	0	110.5	D46 V48 G154 A158 A159 Q160 P166 A167	D46-E156 HydrophobicContact CB-CB 4.14Å; D46-E156 HydrophobicContact CB-CG 3.95Å; D46-E156 WeakPolarHBondContact O-CB 3.14Å; V48-E156 HydrophobicContact CG1-CB 3.84Å; V48-E156 HydrophobicContact CG1-CG 3.85Å; V48-E156 HydrophobicContact CG2-CB 4.04Å; G154-E156 VanDerWaalsContact C-N 3.34Å; G154-E156 PolarHBondContact O-N 3.06Å; E156-A158 VanDerWaalsContact C-N 3.25Å; E156-A158 PolarHBondContact O-N 3.42Å; E156-A159 PolarHBondContact O-N 3.34Å; E156-Q160 HydrophobicContact CG-CG 4.46Å; E156-Q160 WeakPolarHBondContact O-CB 3.48Å; E156-Q160 VanDerWaalsContact O-CG 3.25Å; E156-Q160 WeakPolarHBondContact O-CG 3.35Å; E156-Q160 PolarHBondContact O-N 2.88Å; E156-Q160 PolarHBondContact OE1-NE2 2.95Å; E156-P166 WeakPolarHBondContact OE1-CA 3.44Å; E156-A167 WeakPolarHBondContact OE2-CB 3.17Å; E156-A167 PolarHBondContact OE2-N 3.43Å
157	A	95.9	Very high	94.7	Very high	9 Å²	9	44.9 Å²	44.9	7%	0.074	22%	0.216	C	C	.	.	H	α-helix	trans	-57.4	-40.9	175.9	0	0	0	0	0	111.5	V152 F153 G154 R161	V152-A157 HydrophobicContact CG1-CB 4.29Å; F153-A157 WeakPolarHBondContact O-CB 3.41Å; G154-A157 PolarHBondContact O-N 3.22Å; A157-R161 WeakPolarHBondContact O-CB 3.48Å; A157-R161 PolarHBondContact O-N 3.13Å
158	A	95.8	Very high	94.9	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-64.1	-48.2	176.2	0	0	0	0	0	112.7	F148 V152 G154 V155 E156 Q160 R161 Y162 L178	F148-A158 HydrophobicContact CB-CB 3.55Å; F148-A158 HydrophobicContact CD1-CB 4.41Å; F148-A158 HydrophobicContact CD2-CB 3.96Å; F148-A158 HydrophobicContact CG-CB 3.73Å; V152-A158 HydrophobicContact CG1-CB 4.02Å; G154-A158 WeakPolarHBondContact O-CB 3.42Å; G154-A158 PolarHBondContact O-N 3.35Å; V155-A158 PolarHBondContact O-N 2.61Å; E156-A158 VanDerWaalsContact C-N 3.25Å; E156-A158 PolarHBondContact O-N 3.42Å; A158-Q160 VanDerWaalsContact C-N 3.33Å; A158-Q160 PolarHBondContact O-N 2.82Å; A158-R161 PolarHBondContact O-N 2.89Å; A158-Y162 HydrophobicContact CB-CD2 4.26Å; A158-Y162 HydrophobicContact CB-CE2 4.35Å; A158-Y162 WeakPolarHBondContact O-CB 3.28Å; A158-Y162 WeakPolarHBondContact O-CD2 3.15Å; A158-Y162 PolarHBondContact O-N 3.49Å; A158-L178 HydrophobicContact CB-CD1 4.18Å; A158-L178 HydrophobicContact CB-CD2 4.22Å
159	A	97.2	Very high	95.1	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-62.2	-41.5	179.6	0	0	0	0	0	111.7	V155 E156 F163 H164 K165 A167 L170	V155-A159 VanDerWaalsContact O-CB 3.25Å; V155-A159 WeakPolarHBondContact O-CB 3.33Å; V155-A159 PolarHBondContact O-N 3.45Å; E156-A159 PolarHBondContact O-N 3.34Å; A159-F163 CarbonylContact O-C 3.59Å; A159-F163 WeakPolarHBondContact O-CA 3.39Å; A159-F163 WeakPolarHBondContact O-CB 3.23Å; A159-F163 PolarHBondContact O-N 3.09Å; A159-H164 PolarHBondContact O-N 3.23Å; A159-H164 VanDerWaalsContact O-N 3.16Å; A159-K165 CarbonylContact C-O 3.51Å; A159-K165 WeakPolarHBondContact CB-O 3.41Å; A159-K165 PolarHBondContact O-N 3.48Å; A159-A167 HydrophobicContact CB-CB 4.4Å; A159-L170 HydrophobicContact CB-CD1 4.13Å; A159-L170 HydrophobicContact CB-CD2 3.87Å; A159-L170 HydrophobicContact CB-CG 4.14Å
160	Q	96.2	Very high	95.5	Very high	76 Å²	76	51.3 Å²	51.3	36%	0.355	25%	0.245	S	C	.	.	H	α-helix	trans	-66.4	-43.8	176.4	-67.3	-68.6	-1	0	0	111.6	E156 A158 H164 K165	E156-Q160 HydrophobicContact CG-CG 4.46Å; E156-Q160 WeakPolarHBondContact O-CB 3.48Å; E156-Q160 VanDerWaalsContact O-CG 3.25Å; E156-Q160 WeakPolarHBondContact O-CG 3.35Å; E156-Q160 PolarHBondContact O-N 2.88Å; E156-Q160 PolarHBondContact OE1-NE2 2.95Å; A158-Q160 VanDerWaalsContact C-N 3.33Å; A158-Q160 PolarHBondContact O-N 2.82Å; Q160-H164 VanDerWaalsContact O-CA 3.26Å; Q160-H164 WeakPolarHBondContact O-CA 3.23Å; Q160-H164 PolarHBondContact O-N 3.09Å; Q160-H164 VanDerWaalsContact O-N 3.09Å; Q160-H164 PolarHBondContact O-ND1 2.83Å; Q160-H164 VanDerWaalsContact O-ND1 3.13Å; Q160-K165 PolarHBondContact N-O 3.34Å
161	R	94.3	Very high	96.1	Very high	151 Å²	151	48.5 Å²	48.5	57%	0.57	23%	0.233	S	C	*	.	H	α-helix	trans	-66.8	-47.5	-179.2	-176.9	-178.2	-177	98.2	-6.8	112.9	A157 A158	A157-R161 WeakPolarHBondContact O-CB 3.48Å; A157-R161 PolarHBondContact O-N 3.13Å; A158-R161 PolarHBondContact O-N 2.89Å
162	Y	95	Very high	96.5	Very high	100 Å²	100	55.8 Å²	55.8	39%	0.392	26%	0.257	S	S	.	.	H	α-helix	trans	-91	-27	-170.8	-63.5	-59.5	0	0	0	113.5	F148 G149 A158 L178	F148-Y162 PolarHBondContact O-OH 2.94Å; F148-Y162 VanDerWaalsContact O-OH 3.11Å; G149-Y162 WeakPolarHBondContact CA-OH 3.48Å; A158-Y162 HydrophobicContact CB-CD2 4.26Å; A158-Y162 HydrophobicContact CB-CE2 4.35Å; A158-Y162 WeakPolarHBondContact O-CB 3.28Å; A158-Y162 WeakPolarHBondContact O-CD2 3.15Å; A158-Y162 PolarHBondContact O-N 3.49Å; Y162-L178 HydrophobicContact CD2-CD2 3.55Å; Y162-L178 HydrophobicContact CE2-CD2 4.24Å; Y162-L178 HydrophobicContact CG-CD2 4.34Å
163	F	96.2	Very high	96.7	Very high	58 Å²	58	62.2 Å²	62.2	25%	0.254	29%	0.29	S	S	.	.	H	α-helix	trans	-130.7	-2	-173	-49.6	-54.7	0	0	0	114.6	A159 K165 L170 L174 L178	A159-F163 CarbonylContact O-C 3.59Å; A159-F163 WeakPolarHBondContact O-CA 3.39Å; A159-F163 WeakPolarHBondContact O-CB 3.23Å; A159-F163 PolarHBondContact O-N 3.09Å; F163-K165 HydrophobicContact CB-CD 4.31Å; F163-K165 WeakPolarHBondContact O-CG 3.34Å; F163-K165 PolarHBondContact O-N 3.4Å; F163-L170 HydrophobicContact CD2-CD2 3.59Å; F163-L170 HydrophobicContact CE2-CD2 4.01Å; F163-L174 HydrophobicContact CD1-CD2 3.71Å; F163-L174 HydrophobicContact CD2-CB 4.15Å; F163-L174 HydrophobicContact CD2-CD1 4.49Å; F163-L174 HydrophobicContact CD2-CD2 4.39Å; F163-L174 HydrophobicContact CE1-CD2 3.69Å; F163-L174 HydrophobicContact CE2-CB 3.9Å; F163-L174 HydrophobicContact CE2-CD2 4.34Å; F163-L174 HydrophobicContact CG-CD1 4.35Å; F163-L174 HydrophobicContact CG-CD2 4.08Å; F163-L174 HydrophobicContact CZ-CB 4.2Å; F163-L174 HydrophobicContact CZ-CD2 4.01Å; F163-L178 HydrophobicContact CD2-CD2 4.45Å; F163-L178 HydrophobicContact CE2-CD1 4.1Å; F163-L178 HydrophobicContact CE2-CD2 3.58Å; F163-L178 HydrophobicContact CE2-CG 3.69Å; F163-L178 HydrophobicContact CZ-CD2 4.06Å; F163-L178 HydrophobicContact CZ-CG 4.38Å
164	H	96.4	Very high	96.8	Very high	159 Å²	159	64.2 Å²	64.2	74%	0.736	30%	0.301	S	S	*	.	S	Bend	trans	51.3	43.5	-176.9	-55.2	-57.9	0	0	0	112.7	A159 Q160	A159-H164 PolarHBondContact O-N 3.23Å; A159-H164 VanDerWaalsContact O-N 3.16Å; Q160-H164 VanDerWaalsContact O-CA 3.26Å; Q160-H164 WeakPolarHBondContact O-CA 3.23Å; Q160-H164 PolarHBondContact O-N 3.09Å; Q160-H164 VanDerWaalsContact O-N 3.09Å; Q160-H164 PolarHBondContact O-ND1 2.83Å; Q160-H164 VanDerWaalsContact O-ND1 3.13Å
165	K	96.7	Very high	96.8	Very high	95 Å²	95	64.2 Å²	64.2	41%	0.413	30%	0.301	S	S	.	.	S	Bend	trans	-138.4	147.9	-177.6	-73.2	166.9	-168.2	-73.9	0	109.3	A159 Q160 F163 K169 L174	A159-K165 CarbonylContact C-O 3.51Å; A159-K165 WeakPolarHBondContact CB-O 3.41Å; A159-K165 PolarHBondContact O-N 3.48Å; Q160-K165 PolarHBondContact N-O 3.34Å; F163-K165 HydrophobicContact CB-CD 4.31Å; F163-K165 WeakPolarHBondContact O-CG 3.34Å; F163-K165 PolarHBondContact O-N 3.4Å; K165-K169 HydrophobicContact CB-CB 4.43Å; K165-L174 HydrophobicContact CD-CD1 4.08Å
166	P	97.8	Very high	96.7	Very high	49 Å²	49	68.7 Å²	68.7	32%	0.318	32%	0.323	S	S	.	.			trans	-65.5	151.6	168.5	29.7	-34.8	0	0	0	110.5	E156 S168 K169	E156-P166 WeakPolarHBondContact OE1-CA 3.44Å; P166-S168 PolarHBondContact O-N 2.68Å; P166-S168 VanDerWaalsContact O-N 3.1Å; P166-K169 HydrophobicContact CG-CB 4.16Å; P166-K169 HydrophobicContact CG-CG 3.7Å; P166-K169 PolarHBondContact O-N 2.98Å
167	A	98	Very high	96.4	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-55.5	-31	-179.4	0	0	0	0	0	112.7	S54 V155 E156 A159 K169 L170	S54-A167 WeakPolarHBondContact CB-O 3.32Å; S54-A167 PolarHBondContact N-O 3.38Å; S54-A167 VanDerWaalsContact N-O 3.1Å; V155-A167 HydrophobicContact CG1-CB 4.04Å; V155-A167 HydrophobicContact CG2-CB 3.9Å; E156-A167 WeakPolarHBondContact OE2-CB 3.17Å; E156-A167 PolarHBondContact OE2-N 3.43Å; A159-A167 HydrophobicContact CB-CB 4.4Å; A167-K169 PolarHBondContact O-N 2.93Å; A167-L170 WeakPolarHBondContact O-CG 3.38Å; A167-L170 PolarHBondContact O-N 3.39Å
168	S	98.2	Very high	96.2	Very high	57 Å²	57	70.1 Å²	70.1	40%	0.399	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-61.9	-20.6	174.8	59	0	0	0	0	114.1	Q52 P166	Q52-S168 VanDerWaalsContact O-CA 3.27Å; Q52-S168 WeakPolarHBondContact O-CA 3.4Å; Q52-S168 VanDerWaalsContact O-CB 3.24Å; Q52-S168 WeakPolarHBondContact O-CB 3.39Å; Q52-S168 PolarHBondContact O-N 3.24Å; P166-S168 PolarHBondContact O-N 2.68Å; P166-S168 VanDerWaalsContact O-N 3.1Å
169	K	98.1	Very high	95.5	Very high	142 Å²	142	79.7 Å²	79.7	62%	0.617	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-104.1	8.1	-177.2	-63.5	-65.3	-177.3	-174.4	0	113.6	K165 P166 A167 T171	K165-K169 HydrophobicContact CB-CB 4.43Å; P166-K169 HydrophobicContact CG-CB 4.16Å; P166-K169 HydrophobicContact CG-CG 3.7Å; P166-K169 PolarHBondContact O-N 2.98Å; A167-K169 PolarHBondContact O-N 2.93Å; K169-T171 PolarHBondContact O-N 3.14Å
170	L	97.4	Very high	94.6	Very high	4 Å²	4	82 Å²	82	2%	0.021	40%	0.398	C	S	.	.			trans	-65.7	121.4	173.4	-65.5	172.3	0	0	0	110.3	S54 M57 V155 A159 F163 A167 L174 L178	S54-L170 WeakPolarHBondContact CB-O 3.43Å; S54-L170 PolarHBondContact OG-O 3.2Å; M57-L170 HydrophobicContact CB-CD1 4.33Å; M57-L170 HydrophobicContact CG-CD1 4.39Å; M57-L170 HydrophobicContact SD-CD1 3.9Å; V155-L170 HydrophobicContact CG2-CD1 3.95Å; A159-L170 HydrophobicContact CB-CD1 4.13Å; A159-L170 HydrophobicContact CB-CD2 3.87Å; A159-L170 HydrophobicContact CB-CG 4.14Å; F163-L170 HydrophobicContact CD2-CD2 3.59Å; F163-L170 HydrophobicContact CE2-CD2 4.01Å; A167-L170 WeakPolarHBondContact O-CG 3.38Å; A167-L170 PolarHBondContact O-N 3.39Å; L170-L174 HydrophobicContact CD2-CB 3.93Å; L170-L174 HydrophobicContact CD2-CD1 4.45Å; L170-L178 HydrophobicContact CD1-CD1 3.78Å; L170-L178 HydrophobicContact CD2-CD1 4.29Å
171	T	97.5	Very high	94.5	Very high	74 Å²	74	82.3 Å²	82.3	45%	0.454	40%	0.4	S	S	.	.			trans	-76.3	167.8	168.9	69.3	0	0	0	0	109.8	K169 L173 L174 A175	K169-T171 PolarHBondContact O-N 3.14Å; T171-L173 VanDerWaalsContact C-N 3.25Å; T171-L173 PolarHBondContact O-N 2.86Å; T171-L174 PolarHBondContact O-N 3.39Å; T171-L174 WeakPolarHBondContact OG1-CG 3.4Å; T171-L174 PolarHBondContact OG1-N 2.91Å; T171-A175 WeakPolarHBondContact O-CB 3.38Å; T171-A175 PolarHBondContact O-N 3.36Å
172	R	96.7	Very high	94.5	Very high	165 Å²	165	78.7 Å²	78.7	62%	0.623	39%	0.391	S	S	*	.	H	α-helix	trans	-50.3	-44.3	175.2	-175.8	-179.5	174.4	-164.2	-0.4	113.3	W56 I176	W56-R172 HydrophobicContact CD2-CB 3.89Å; W56-R172 HydrophobicContact CD2-CG 4.43Å; W56-R172 HydrophobicContact CE3-CB 3.95Å; W56-R172 HydrophobicContact CE3-CG 3.99Å; W56-R172 HydrophobicContact CG-CB 4.15Å; W56-R172 HydrophobicContact CZ3-CG 4.42Å; R172-I176 HydrophobicContact CG-CD1 4.05Å; R172-I176 WeakPolarHBondContact O-CD1 3.34Å; R172-I176 VanDerWaalsContact O-CG1 3.28Å; R172-I176 WeakPolarHBondContact O-CG1 3.38Å; R172-I176 PolarHBondContact O-N 3.38Å
173	L	96.4	Very high	94.5	Very high	144 Å²	144	77.5 Å²	77.5	75%	0.754	39%	0.391	S	S	*	.	H	α-helix	trans	-67	-43.5	-179.4	-74	167.7	0	0	0	112.1	T171 I176 G177	T171-L173 VanDerWaalsContact C-N 3.25Å; T171-L173 PolarHBondContact O-N 2.86Å; L173-I176 PolarHBondContact O-N 2.8Å; L173-G177 PolarHBondContact O-N 3.4Å
174	L	97.1	Very high	94.4	Very high	43 Å²	43	78.6 Å²	78.6	23%	0.225	40%	0.399	C	S	.	.	H	α-helix	trans	-66.9	-41.3	178.8	-61.5	179.8	0	0	0	111.6	F163 K165 L170 T171 I176 G177 L178	F163-L174 HydrophobicContact CD1-CD2 3.71Å; F163-L174 HydrophobicContact CD2-CB 4.15Å; F163-L174 HydrophobicContact CD2-CD1 4.49Å; F163-L174 HydrophobicContact CD2-CD2 4.39Å; F163-L174 HydrophobicContact CE1-CD2 3.69Å; F163-L174 HydrophobicContact CE2-CB 3.9Å; F163-L174 HydrophobicContact CE2-CD2 4.34Å; F163-L174 HydrophobicContact CG-CD1 4.35Å; F163-L174 HydrophobicContact CG-CD2 4.08Å; F163-L174 HydrophobicContact CZ-CB 4.2Å; F163-L174 HydrophobicContact CZ-CD2 4.01Å; K165-L174 HydrophobicContact CD-CD1 4.08Å; L170-L174 HydrophobicContact CD2-CB 3.93Å; L170-L174 HydrophobicContact CD2-CD1 4.45Å; T171-L174 PolarHBondContact O-N 3.39Å; T171-L174 WeakPolarHBondContact OG1-CG 3.4Å; T171-L174 PolarHBondContact OG1-N 2.91Å; L174-I176 PolarHBondContact O-N 3.33Å; L174-G177 WeakPolarHBondContact O-CA 3.37Å; L174-G177 PolarHBondContact O-N 2.88Å; L174-L178 PolarHBondContact O-N 2.82Å
175	A	96.7	Very high	94.3	Very high	0 Å²	0	73.6 Å²	73.6	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-59.9	-42	177.1	0	0	0	0	0	112.7	W56 M57 A60 T171 G177 L178	W56-A175 HydrophobicContact CB-CB 3.94Å; M57-A175 HydrophobicContact CB-CB 4.41Å; M57-A175 HydrophobicContact SD-CB 4.13Å; A60-A175 HydrophobicContact CB-CB 4.1Å; T171-A175 WeakPolarHBondContact O-CB 3.38Å; T171-A175 PolarHBondContact O-N 3.36Å; A175-G177 PolarHBondContact O-N 3.39Å; A175-L178 PolarHBondContact O-N 2.9Å
176	I	94.7	Very high	94.1	Very high	93 Å²	93	72.2 Å²	72.2	48%	0.477	38%	0.376	S	S	.	.	H	α-helix	trans	-65	-29.2	175.3	-68.7	164.5	0	0	0	111.8	A60 R172 L173 L174 L178	A60-I176 HydrophobicContact CB-CG1 4.4Å; R172-I176 HydrophobicContact CG-CD1 4.05Å; R172-I176 WeakPolarHBondContact O-CD1 3.34Å; R172-I176 VanDerWaalsContact O-CG1 3.28Å; R172-I176 WeakPolarHBondContact O-CG1 3.38Å; R172-I176 PolarHBondContact O-N 3.38Å; L173-I176 PolarHBondContact O-N 2.8Å; L174-I176 PolarHBondContact O-N 3.33Å; I176-L178 VanDerWaalsContact C-N 3.32Å
177	G	93	Very high	93.8	Very high	53 Å²	53	73.9 Å²	73.9	55%	0.546	38%	0.38	S	S	.	.	H	α-helix	trans	-72.2	-22.3	177.5	0	0	0	0	0	114.1	L173 L174 A175	L173-G177 PolarHBondContact O-N 3.4Å; L174-G177 WeakPolarHBondContact O-CA 3.37Å; L174-G177 PolarHBondContact O-N 2.88Å; A175-G177 PolarHBondContact O-N 3.39Å
178	L	91.6	Very high	93.5	Very high	10 Å²	10	79.5 Å²	79.5	5%	0.052	41%	0.409	C	S	.	.			trans	-86.8	112.8	174.7	-63.8	-176.6	0	0	0	109.7	M57 F148 A158 Y162 F163 L170 L174 A175 I176	M57-L178 HydrophobicContact CE-CB 3.92Å; M57-L178 HydrophobicContact SD-CB 4.05Å; M57-L178 HydrophobicContact SD-CD1 3.95Å; F148-L178 HydrophobicContact CD1-CB 3.86Å; F148-L178 HydrophobicContact CE1-CB 4.04Å; A158-L178 HydrophobicContact CB-CD1 4.18Å; A158-L178 HydrophobicContact CB-CD2 4.22Å; Y162-L178 HydrophobicContact CD2-CD2 3.55Å; Y162-L178 HydrophobicContact CE2-CD2 4.24Å; Y162-L178 HydrophobicContact CG-CD2 4.34Å; F163-L178 HydrophobicContact CD2-CD2 4.45Å; F163-L178 HydrophobicContact CE2-CD1 4.1Å; F163-L178 HydrophobicContact CE2-CD2 3.58Å; F163-L178 HydrophobicContact CE2-CG 3.69Å; F163-L178 HydrophobicContact CZ-CD2 4.06Å; F163-L178 HydrophobicContact CZ-CG 4.38Å; L170-L178 HydrophobicContact CD1-CD1 3.78Å; L170-L178 HydrophobicContact CD2-CD1 4.29Å; L174-L178 PolarHBondContact O-N 2.82Å; A175-L178 PolarHBondContact O-N 2.9Å; I176-L178 VanDerWaalsContact C-N 3.32Å
179	R	81.6	Confident	93.1	Very high	201 Å²	201	81.4 Å²	81.4	76%	0.758	41%	0.41	S	S	*	.			trans	-109.3	124.6	173.3	-63.5	-176.1	-179.4	-176.5	-0.5	108.4	F148	F148-R179 WeakPolarHBondContact CA-O 3.36Å
180	A	77.2	Confident	92.7	Very high	48 Å²	48	75.9 Å²	75.9	40%	0.397	39%	0.392	S	S	.	.			trans	-83.6	0	174.5	0	0	0	0	0	111.4	Y142 A146 F148	Y142-A180 HydrophobicContact CE1-CB 4.13Å; Y142-A180 WeakPolarHBondContact OH-CB 3.36Å; A146-A180 HydrophobicContact CB-CB 3.69Å; F148-A180 HydrophobicContact CD1-CB 4.01Å; F148-A180 HydrophobicContact CE1-CB 3.67Å; F148-A180 HydrophobicContact CE2-CB 4.43Å; F148-A180 HydrophobicContact CZ-CB 3.9Å

Retrieved 180 of 180 residues in 120.6 ms (Link to these results)

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