A0A096NHX6_PAPAN Loading...

vitamin-K-epoxide reductase (warfarin-sensitive)

AlphaFold DB (A0A2K5N1M0), UniProt , Accession A0A096NHX6, Species PAPAN (Papio anubis, Olive baboon), Gene VKORC1, Length 163 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	44.1	Very low	73.8	Confident	248 Å²	248	103.5 Å²	103.5	100%	1.222	58%	0.58	S	S	*	*				0	112.4	0	-87.9	136.3	142.9	0	0	108.4
2	G	56	Low	75.3	Confident	70 Å²	70	95.8 Å²	95.8	72%	0.722	54%	0.535	S	S	*	.			trans	-67.2	148.4	176.3	0	0	0	0	0	111	T4	G2-T4 PolarHBondContact O-N 3.08Å; G2-T4 VanDerWaalsContact O-N 3.1Å
3	S	61	Low	76.6	Confident	84 Å²	84	92.1 Å²	92.1	59%	0.587	51%	0.512	S	S	*	.			trans	-58	115.3	175.8	64.2	0	0	0	0	110.1	W5	S3-W5 WeakPolarHBondContact CB-O 3.45Å; S3-W5 PolarHBondContact O-N 2.86Å; S3-W5 PolarHBondContact OG-O 3.39Å
4	T	70.3	Confident	77.9	Confident	93 Å²	93	89.9 Å²	89.9	57%	0.571	51%	0.512	S	S	*	.	S	Bend	trans	-70.6	-15.6	176.9	50.8	0	0	0	0	112.5	G2 R98	G2-T4 PolarHBondContact O-N 3.08Å; G2-T4 VanDerWaalsContact O-N 3.1Å; T4-R98 PolarHBondContact O-N 2.92Å
5	W	75.4	Confident	79	Confident	151 Å²	151	86.5 Å²	86.5	57%	0.572	49%	0.492	S	S	*	.	B	Isolated β-bridge	trans	-111.9	146.4	175.8	-81.1	55.3	0	0	0	111.3	S3 C96 L97	S3-W5 WeakPolarHBondContact CB-O 3.45Å; S3-W5 PolarHBondContact O-N 2.86Å; S3-W5 PolarHBondContact OG-O 3.39Å; W5-C96 CarbonylContact C-O 3.52Å; W5-C96 WeakPolarHBondContact CA-O 3.31Å; W5-C96 HydrophobicContact CD2-CB 4.44Å; W5-C96 HydrophobicContact CE3-CB 3.96Å; W5-C96 HydrophobicContact CZ3-CB 4.19Å; W5-L97 HydrophobicContact CD2-CD2 4.2Å; W5-L97 VanDerWaalsContact CE2-CD2 3.49Å; W5-L97 HydrophobicContact CG-CD2 4.25Å; W5-L97 HydrophobicContact CZ2-CD2 3.96Å
6	G	78.9	Confident	80	Confident	27 Å²	27	81.3 Å²	81.3	28%	0.278	46%	0.462	S	S	.	.			trans	-156.2	175.7	175.2	0	0	0	0	0	111.8	C96	G6-C96 PolarHBondContact N-O 3.23Å; G6-C96 VanDerWaalsContact O-CA 3.31Å; G6-C96 WeakPolarHBondContact O-CA 3.35Å
7	N	80.9	Confident	80.8	Confident	109 Å²	109	81.4 Å²	81.4	58%	0.583	46%	0.46	S	S	*	.			trans	-67.1	128.5	177.9	-171.6	-29.1	0	0	0	109.8	G9	N7-G9 PolarHBondContact O-N 2.95Å; N7-G9 VanDerWaalsContact O-N 3.08Å; N7-G9 PolarHBondContact OD1-N 3.06Å
8	P	78.6	Confident	81.6	Confident	29 Å²	29	79.2 Å²	79.2	19%	0.188	45%	0.454	C	S	.	.			trans	-64.7	-9.6	178.5	26.5	-35.2	0	0	0	113.7	R12 L92	P8-R12 WeakPolarHBondContact O-CB 3.34Å; P8-L92 HydrophobicContact CB-CD1 4.19Å; P8-L92 HydrophobicContact CG-CD1 3.79Å
9	G	85.4	Confident	82.2	Confident	30 Å²	30	75.1 Å²	75.1	31%	0.309	43%	0.43	S	S	.	.			trans	92.9	140.5	-177.5	0	0	0	0	0	111.2	N7 V11 R12 L13	N7-G9 PolarHBondContact O-N 2.95Å; N7-G9 VanDerWaalsContact O-N 3.08Å; N7-G9 PolarHBondContact OD1-N 3.06Å; G9-V11 VanDerWaalsContact C-N 3.26Å; G9-V11 PolarHBondContact O-N 2.88Å; G9-R12 PolarHBondContact O-N 3.42Å; G9-R12 VanDerWaalsContact O-N 3.15Å; G9-L13 PolarHBondContact O-N 3.01Å
10	W	89.5	Confident	82.8	Confident	204 Å²	204	73.6 Å²	73.6	77%	0.773	42%	0.421	S	S	*	.	H	α-helix	trans	-55.9	-39.1	-176.6	-67.9	110.7	0	0	0	113.2	L13 A14	W10-L13 HydrophobicContact CE3-CD2 4.16Å; W10-L13 HydrophobicContact CZ3-CD2 4.23Å; W10-L13 PolarHBondContact O-N 3.46Å; W10-A14 WeakPolarHBondContact O-CB 3.38Å; W10-A14 PolarHBondContact O-N 2.96Å
11	V	91.8	Very high	83.4	Confident	94 Å²	94	74.6 Å²	74.6	57%	0.57	43%	0.428	S	S	*	.	H	α-helix	trans	-63.4	-47.8	178.5	-173.4	0	0	0	0	111.3	G9 A14 L15 L148	G9-V11 VanDerWaalsContact C-N 3.26Å; G9-V11 PolarHBondContact O-N 2.88Å; V11-A14 PolarHBondContact O-N 3.15Å; V11-L15 HydrophobicContact CG1-CD1 4.18Å; V11-L15 WeakPolarHBondContact O-CG 3.35Å; V11-L15 PolarHBondContact O-N 3.33Å; V11-L148 HydrophobicContact CB-CD1 4.45Å; V11-L148 HydrophobicContact CG1-CD1 3.99Å; V11-L148 HydrophobicContact CG1-CD2 4.46Å
12	R	91.4	Very high	85.7	Confident	11 Å²	11	64.6 Å²	64.6	4%	0.042	38%	0.379	C	S	.	.	H	α-helix	trans	-66.1	-42.4	179.3	-172.7	174.9	-132.8	152	11.6	111.1	P8 G9 L15 C16 Q91 L106 L145 L148 S149	P8-R12 WeakPolarHBondContact O-CB 3.34Å; G9-R12 PolarHBondContact O-N 3.42Å; G9-R12 VanDerWaalsContact O-N 3.15Å; R12-L15 PolarHBondContact O-N 3.23Å; R12-C16 WeakPolarHBondContact O-CB 3.5Å; R12-C16 PolarHBondContact O-N 3.37Å; R12-C16 PolarHBondContact O-SG 3.01Å; R12-C16 VanDerWaalsContact O-SG 3.36Å; R12-Q91 VanDerWaalsContact CZ-OE1 3.22Å; R12-Q91 VanDerWaalsContact NE-OE1 3.08Å; R12-L106 VanDerWaalsContact NH1-CD1 3.32Å; R12-L145 HydrophobicContact CG-CD2 4.1Å; R12-L148 HydrophobicContact CB-CD1 4.11Å; R12-S149 PolarHBondContact NH2-OG 2.92Å
13	L	93	Very high	87.5	Confident	47 Å²	47	61.6 Å²	61.6	25%	0.246	35%	0.347	C	S	.	.	H	α-helix	trans	-57.4	-50.1	176.4	-178.5	67.3	0	0	0	110.8	G9 W10 L15 C16 L17 L92	G9-L13 PolarHBondContact O-N 3.01Å; W10-L13 HydrophobicContact CE3-CD2 4.16Å; W10-L13 HydrophobicContact CZ3-CD2 4.23Å; W10-L13 PolarHBondContact O-N 3.46Å; L13-L15 PolarHBondContact O-N 3.08Å; L13-C16 PolarHBondContact O-N 3.33Å; L13-L17 HydrophobicContact CD1-CD1 3.88Å; L13-L17 HydrophobicContact CD1-CG 4.12Å; L13-L17 HydrophobicContact CG-CD1 3.87Å; L13-L17 HydrophobicContact CG-CG 4.41Å; L13-L17 WeakPolarHBondContact O-CB 3.2Å; L13-L17 VanDerWaalsContact O-CG 3.25Å; L13-L17 WeakPolarHBondContact O-CG 3.34Å; L13-L17 PolarHBondContact O-N 3.42Å; L13-L92 HydrophobicContact CD1-CD1 3.67Å; L13-L92 HydrophobicContact CD1-CD2 4.1Å
14	A	94.6	Very high	89	Confident	61 Å²	61	62 Å²	62	50%	0.504	34%	0.343	S	S	.	.	H	α-helix	trans	-59.8	-46.5	178.7	0	0	0	0	0	112.2	W10 V11 A18	W10-A14 WeakPolarHBondContact O-CB 3.38Å; W10-A14 PolarHBondContact O-N 2.96Å; V11-A14 PolarHBondContact O-N 3.15Å; A14-A18 VanDerWaalsContact O-CB 3.25Å; A14-A18 WeakPolarHBondContact O-CB 3.33Å; A14-A18 PolarHBondContact O-N 3.25Å
15	L	94.3	Very high	90	Very high	40 Å²	40	60 Å²	60	21%	0.209	33%	0.325	C	S	.	.	H	α-helix	trans	-63.6	-46.2	178.7	-72.4	175.3	0	0	0	112.5	V11 R12 L13 G19 I141 L145 L148	V11-L15 HydrophobicContact CG1-CD1 4.18Å; V11-L15 WeakPolarHBondContact O-CG 3.35Å; V11-L15 PolarHBondContact O-N 3.33Å; R12-L15 PolarHBondContact O-N 3.23Å; L13-L15 PolarHBondContact O-N 3.08Å; L15-G19 PolarHBondContact O-N 3.1Å; L15-I141 HydrophobicContact CB-CG2 4.21Å; L15-I141 HydrophobicContact CD2-CG1 4.23Å; L15-I141 HydrophobicContact CD2-CG2 4.32Å; L15-I141 WeakPolarHBondContact O-CG2 3.38Å; L15-L145 HydrophobicContact CB-CD2 3.94Å; L15-L145 HydrophobicContact CB-CG 4.26Å; L15-L145 HydrophobicContact CD1-CD2 4.28Å; L15-L145 HydrophobicContact CD1-CG 4.47Å; L15-L148 HydrophobicContact CD1-CD1 3.8Å
16	C	94.3	Very high	90.6	Very high	2 Å²	2	53 Å²	53	1%	0.014	30%	0.299	C	S	.	.	H	α-helix	trans	-65.7	-42.1	178.7	-70.5	0	0	0	0	111.9	R12 L13 G19 L20 L92	R12-C16 WeakPolarHBondContact O-CB 3.5Å; R12-C16 PolarHBondContact O-N 3.37Å; R12-C16 PolarHBondContact O-SG 3.01Å; R12-C16 VanDerWaalsContact O-SG 3.36Å; L13-C16 PolarHBondContact O-N 3.33Å; C16-G19 PolarHBondContact O-N 2.74Å; C16-L20 VanDerWaalsContact O-CB 3.28Å; C16-L20 WeakPolarHBondContact O-CB 3.25Å; C16-L20 PolarHBondContact O-N 2.92Å; C16-L92 HydrophobicContact CB-CB 4.11Å; C16-L92 HydrophobicContact CB-CD1 4.34Å
17	L	94.6	Very high	91.1	Very high	83 Å²	83	54.6 Å²	54.6	44%	0.435	30%	0.301	S	S	.	.	H	α-helix	trans	-65.9	-44.1	177.6	-71.9	177.8	0	0	0	111.5	L13 G19 L20 V21	L13-L17 HydrophobicContact CD1-CD1 3.88Å; L13-L17 HydrophobicContact CD1-CG 4.12Å; L13-L17 HydrophobicContact CG-CD1 3.87Å; L13-L17 HydrophobicContact CG-CG 4.41Å; L13-L17 WeakPolarHBondContact O-CB 3.2Å; L13-L17 VanDerWaalsContact O-CG 3.25Å; L13-L17 WeakPolarHBondContact O-CG 3.34Å; L13-L17 PolarHBondContact O-N 3.42Å; L17-G19 PolarHBondContact O-N 3.36Å; L17-L20 PolarHBondContact O-N 3.21Å; L17-V21 WeakPolarHBondContact O-CG2 3.25Å; L17-V21 PolarHBondContact O-N 2.92Å
18	A	94.6	Very high	91.6	Very high	43 Å²	43	54.7 Å²	54.7	36%	0.355	30%	0.298	S	S	.	.	H	α-helix	trans	-58.9	-47.7	174.8	0	0	0	0	0	111.2	A14 L20 V21 L22 I141	A14-A18 VanDerWaalsContact O-CB 3.25Å; A14-A18 WeakPolarHBondContact O-CB 3.33Å; A14-A18 PolarHBondContact O-N 3.25Å; A18-L20 VanDerWaalsContact C-N 3.34Å; A18-L20 PolarHBondContact O-N 3.48Å; A18-V21 PolarHBondContact O-N 2.91Å; A18-L22 VanDerWaalsContact O-CG 3.3Å; A18-L22 WeakPolarHBondContact O-CG 3.36Å; A18-L22 PolarHBondContact O-N 3.47Å; A18-I141 HydrophobicContact CB-CD1 3.95Å
19	G	94	Very high	92	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-61	-40.8	176.9	0	0	0	0	0	113.1	L15 C16 L17 L22 S23 Y88	L15-G19 PolarHBondContact O-N 3.1Å; C16-G19 PolarHBondContact O-N 2.74Å; L17-G19 PolarHBondContact O-N 3.36Å; G19-L22 PolarHBondContact O-N 3.37Å; G19-S23 WeakPolarHBondContact O-CB 3.44Å; G19-S23 PolarHBondContact O-N 3.09Å; G19-S23 PolarHBondContact O-OG 3.29Å; G19-Y88 VanDerWaalsContact CA-CE2 3.44Å; G19-Y88 WeakPolarHBondContact O-CD2 3.47Å; G19-Y88 VanDerWaalsContact O-CE2 3.29Å; G19-Y88 WeakPolarHBondContact O-CE2 3.36Å
20	L	94.1	Very high	92.1	Very high	46 Å²	46	53.5 Å²	53.5	24%	0.241	28%	0.281	C	S	.	.	H	α-helix	trans	-65.5	-45.9	177.9	-175.2	63.8	0	0	0	111.5	C16 L17 A18 L22 S23 L24 C85	C16-L20 VanDerWaalsContact O-CB 3.28Å; C16-L20 WeakPolarHBondContact O-CB 3.25Å; C16-L20 PolarHBondContact O-N 2.92Å; L17-L20 PolarHBondContact O-N 3.21Å; A18-L20 VanDerWaalsContact C-N 3.34Å; A18-L20 PolarHBondContact O-N 3.48Å; L20-L22 PolarHBondContact O-N 3.36Å; L20-S23 PolarHBondContact O-N 2.91Å; L20-L24 HydrophobicContact CG-CD1 4.28Å; L20-L24 WeakPolarHBondContact O-CG 3.48Å; L20-L24 PolarHBondContact O-N 3.33Å; L20-C85 HydrophobicContact CD1-CB 3.99Å
21	V	94.9	Very high	92	Very high	94 Å²	94	46.7 Å²	46.7	57%	0.57	27%	0.268	S	S	*	.	H	α-helix	trans	-61.6	-45.2	176.8	171.9	0	0	0	0	110.8	L17 A18 S23 L24 Y25	L17-V21 WeakPolarHBondContact O-CG2 3.25Å; L17-V21 PolarHBondContact O-N 2.92Å; A18-V21 PolarHBondContact O-N 2.91Å; V21-S23 VanDerWaalsContact C-N 3.3Å; V21-S23 PolarHBondContact O-N 3.43Å; V21-L24 PolarHBondContact O-N 2.89Å; V21-Y25 VanDerWaalsContact O-CB 3.29Å; V21-Y25 WeakPolarHBondContact O-CB 3.4Å; V21-Y25 PolarHBondContact O-N 2.93Å
22	L	92.9	Very high	91.8	Very high	38 Å²	38	43 Å²	43	20%	0.199	25%	0.248	C	C	.	.	H	α-helix	trans	-62.6	-37.5	176.5	-68.4	176.6	0	0	0	112.1	A18 G19 L20 Y25 A26 V134 T137 I141	A18-L22 VanDerWaalsContact O-CG 3.3Å; A18-L22 WeakPolarHBondContact O-CG 3.36Å; A18-L22 PolarHBondContact O-N 3.47Å; G19-L22 PolarHBondContact O-N 3.37Å; L20-L22 PolarHBondContact O-N 3.36Å; L22-Y25 PolarHBondContact O-N 2.91Å; L22-A26 WeakPolarHBondContact O-CB 3.39Å; L22-A26 PolarHBondContact O-N 3.44Å; L22-V134 HydrophobicContact CB-CG1 4.35Å; L22-V134 HydrophobicContact CD2-CG1 4.25Å; L22-T137 HydrophobicContact CD1-CG2 3.69Å; L22-I141 HydrophobicContact CD1-CD1 3.86Å
23	S	92.8	Very high	91.4	Very high	7 Å²	7	46.3 Å²	46.3	5%	0.049	26%	0.26	C	S	.	.	H	α-helix	trans	-67.4	-44.7	177.1	-59.9	0	0	0	0	111.8	G19 L20 V21 Y25 A26 L27 S81 C85 Y88	G19-S23 WeakPolarHBondContact O-CB 3.44Å; G19-S23 PolarHBondContact O-N 3.09Å; G19-S23 PolarHBondContact O-OG 3.29Å; L20-S23 PolarHBondContact O-N 2.91Å; V21-S23 VanDerWaalsContact C-N 3.3Å; V21-S23 PolarHBondContact O-N 3.43Å; S23-Y25 VanDerWaalsContact C-N 3.34Å; S23-A26 PolarHBondContact O-N 3.13Å; S23-L27 PolarHBondContact O-N 2.95Å; S23-S81 WeakPolarHBondContact O-CB 3.48Å; S23-C85 WeakPolarHBondContact CB-SG 3.3Å; S23-Y88 WeakPolarHBondContact OG-CE2 3.28Å
24	L	92.4	Very high	91	Very high	93 Å²	93	48.3 Å²	48.3	49%	0.487	28%	0.284	S	S	.	.	H	α-helix	trans	-63.2	-41.8	174.9	-70.2	172.4	0	0	0	111.5	L20 V21 L27 H28	L20-L24 HydrophobicContact CG-CD1 4.28Å; L20-L24 WeakPolarHBondContact O-CG 3.48Å; L20-L24 PolarHBondContact O-N 3.33Å; V21-L24 PolarHBondContact O-N 2.89Å; L24-L27 PolarHBondContact O-N 3.33Å; L24-H28 WeakPolarHBondContact O-CB 3.49Å; L24-H28 PolarHBondContact O-N 3.2Å
25	Y	91.2	Very high	90.6	Very high	51 Å²	51	56.6 Å²	56.6	20%	0.2	30%	0.302	C	S	.	.	H	α-helix	trans	-63.3	-43.7	176.2	178.8	-112.7	0	0	0	111.9	V21 L22 S23 L27 H28 V29 L42 C43 V134	V21-Y25 VanDerWaalsContact O-CB 3.29Å; V21-Y25 WeakPolarHBondContact O-CB 3.4Å; V21-Y25 PolarHBondContact O-N 2.93Å; L22-Y25 PolarHBondContact O-N 2.91Å; S23-Y25 VanDerWaalsContact C-N 3.34Å; Y25-L27 VanDerWaalsContact C-N 3.32Å; Y25-L27 PolarHBondContact O-N 3.46Å; Y25-H28 WeakPolarHBondContact O-CB 3.49Å; Y25-H28 PolarHBondContact O-N 3.05Å; Y25-V29 HydrophobicContact CD1-CG2 4.36Å; Y25-V29 HydrophobicContact CD2-CG2 4.24Å; Y25-V29 HydrophobicContact CE1-CG2 3.91Å; Y25-V29 HydrophobicContact CE2-CG2 3.74Å; Y25-V29 WeakPolarHBondContact O-CB 3.4Å; Y25-V29 WeakPolarHBondContact O-CG2 3.26Å; Y25-V29 PolarHBondContact O-N 3.2Å; Y25-L42 HydrophobicContact CE2-CD1 4.36Å; Y25-L42 VanDerWaalsContact OH-CB 3.26Å; Y25-L42 WeakPolarHBondContact OH-CB 3.02Å; Y25-L42 PolarHBondContact OH-N 3.04Å; Y25-C43 HydrophobicContact CE1-CB 4.26Å; Y25-C43 WeakPolarHBondContact CE1-SG 3.41Å; Y25-V134 HydrophobicContact CE1-CG2 4.47Å
26	A	89.1	Confident	90.3	Very high	4 Å²	4	58.4 Å²	58.4	3%	0.033	31%	0.312	C	S	.	.	H	α-helix	trans	-61.5	-39.8	174.7	0	0	0	0	0	112.3	L22 S23 V29 K30 F55 S81	L22-A26 WeakPolarHBondContact O-CB 3.39Å; L22-A26 PolarHBondContact O-N 3.44Å; S23-A26 PolarHBondContact O-N 3.13Å; A26-V29 PolarHBondContact O-N 2.89Å; A26-K30 VanDerWaalsContact O-CB 3.32Å; A26-K30 WeakPolarHBondContact O-CB 3.29Å; A26-K30 PolarHBondContact O-N 3.15Å; A26-F55 HydrophobicContact CB-CD1 4.44Å; A26-F55 HydrophobicContact CB-CD2 4.04Å; A26-F55 HydrophobicContact CB-CE1 3.94Å; A26-F55 HydrophobicContact CB-CE2 3.48Å; A26-F55 VanDerWaalsContact CB-CE2 3.48Å; A26-F55 HydrophobicContact CB-CZ 3.43Å; A26-F55 VanDerWaalsContact CB-CZ 3.43Å; A26-S81 VanDerWaalsContact CB-OG 3.22Å; A26-S81 WeakPolarHBondContact CB-OG 3.47Å
27	L	89.1	Confident	89.5	Confident	60 Å²	60	68.4 Å²	68.4	31%	0.314	35%	0.349	S	S	.	.	H	α-helix	trans	-64.4	-43.3	174.8	-173	65.1	0	0	0	111.5	S23 L24 Y25 K30 A31 S79 I82	S23-L27 PolarHBondContact O-N 2.95Å; L24-L27 PolarHBondContact O-N 3.33Å; Y25-L27 VanDerWaalsContact C-N 3.32Å; Y25-L27 PolarHBondContact O-N 3.46Å; L27-K30 PolarHBondContact O-N 3.05Å; L27-A31 WeakPolarHBondContact O-CB 3.34Å; L27-A31 PolarHBondContact O-N 3.18Å; L27-S79 WeakPolarHBondContact CD1-OG 3.44Å; L27-I82 HydrophobicContact CD1-CD1 4.27Å; L27-I82 HydrophobicContact CD1-CG1 4.05Å; L27-I82 HydrophobicContact CD2-CG1 4.33Å
28	H	90.1	Very high	88.9	Confident	111 Å²	111	71.1 Å²	71.1	51%	0.514	36%	0.364	S	S	.	.	H	α-helix	trans	-61.2	-49.2	175.6	176.6	75.8	0	0	0	111.6	L24 Y25 K30 A31 A32	L24-H28 WeakPolarHBondContact O-CB 3.49Å; L24-H28 PolarHBondContact O-N 3.2Å; Y25-H28 WeakPolarHBondContact O-CB 3.49Å; Y25-H28 PolarHBondContact O-N 3.05Å; H28-K30 VanDerWaalsContact C-N 3.31Å; H28-K30 PolarHBondContact O-N 3.46Å; H28-A31 PolarHBondContact O-N 3.33Å; H28-A32 WeakPolarHBondContact O-CB 3.28Å; H28-A32 PolarHBondContact O-N 3.19Å
29	V	88.3	Confident	88.2	Confident	0 Å²	0	72 Å²	72	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-58.6	-44.1	176.9	167	0	0	0	0	111	Y25 A26 A31 A32 R33 Y39 A41 F55	Y25-V29 HydrophobicContact CD1-CG2 4.36Å; Y25-V29 HydrophobicContact CD2-CG2 4.24Å; Y25-V29 HydrophobicContact CE1-CG2 3.91Å; Y25-V29 HydrophobicContact CE2-CG2 3.74Å; Y25-V29 WeakPolarHBondContact O-CB 3.4Å; Y25-V29 WeakPolarHBondContact O-CG2 3.26Å; Y25-V29 PolarHBondContact O-N 3.2Å; A26-V29 PolarHBondContact O-N 2.89Å; V29-A31 PolarHBondContact O-N 3.5Å; V29-A32 PolarHBondContact O-N 3.37Å; V29-R33 VanDerWaalsContact O-CB 3.22Å; V29-R33 WeakPolarHBondContact O-CB 3.44Å; V29-R33 PolarHBondContact O-N 3.01Å; V29-Y39 HydrophobicContact CG1-CE1 4.48Å; V29-A41 HydrophobicContact CB-CB 4.33Å; V29-A41 HydrophobicContact CG1-CB 3.64Å; V29-A41 HydrophobicContact CG2-CB 3.68Å; V29-F55 HydrophobicContact CB-CD2 4.43Å; V29-F55 HydrophobicContact CG1-CD2 4.1Å
30	K	87.3	Confident	87.4	Confident	35 Å²	35	82.2 Å²	82.2	15%	0.152	40%	0.397	C	S	.	.	H	α-helix	trans	-61.4	-44	177.2	-175.6	171.5	-179	131.9	0	111.8	A26 L27 H28 A34 F55 G60	A26-K30 VanDerWaalsContact O-CB 3.32Å; A26-K30 WeakPolarHBondContact O-CB 3.29Å; A26-K30 PolarHBondContact O-N 3.15Å; L27-K30 PolarHBondContact O-N 3.05Å; H28-K30 VanDerWaalsContact C-N 3.31Å; H28-K30 PolarHBondContact O-N 3.46Å; K30-A34 VanDerWaalsContact O-CB 3.3Å; K30-A34 WeakPolarHBondContact O-CB 3.35Å; K30-A34 PolarHBondContact O-N 3.4Å; K30-F55 HydrophobicContact CB-CB 4.33Å; K30-F55 PolarHBondContact NZ-O 3.35Å; K30-G60 PolarHBondContact NZ-O 2.95Å
31	A	86.6	Confident	86.7	Confident	60 Å²	60	80.3 Å²	80.3	50%	0.496	39%	0.388	S	S	.	.	H	α-helix	trans	-68	-43.1	178	0	0	0	0	0	112.3	L27 H28 V29 A34 R35	L27-A31 WeakPolarHBondContact O-CB 3.34Å; L27-A31 PolarHBondContact O-N 3.18Å; H28-A31 PolarHBondContact O-N 3.33Å; V29-A31 PolarHBondContact O-N 3.5Å; A31-A34 PolarHBondContact O-N 3.33Å; A31-R35 PolarHBondContact O-N 3.38Å; A31-R35 VanDerWaalsContact O-N 3.09Å
32	A	87.4	Confident	85.8	Confident	18 Å²	18	83.2 Å²	83.2	15%	0.149	40%	0.4	C	S	.	.	H	α-helix	trans	-62.4	-47.3	177.6	0	0	0	0	0	111.2	H28 V29 A34 R35 D36 Y39	H28-A32 WeakPolarHBondContact O-CB 3.28Å; H28-A32 PolarHBondContact O-N 3.19Å; V29-A32 PolarHBondContact O-N 3.37Å; A32-A34 VanDerWaalsContact C-N 3.3Å; A32-A34 PolarHBondContact O-N 2.97Å; A32-R35 PolarHBondContact O-N 3.03Å; A32-R35 VanDerWaalsContact O-N 3.12Å; A32-D36 PolarHBondContact O-N 3.01Å; A32-Y39 HydrophobicContact CB-CD1 3.83Å; A32-Y39 HydrophobicContact CB-CD2 4.04Å; A32-Y39 HydrophobicContact CB-CE1 3.74Å; A32-Y39 HydrophobicContact CB-CE2 3.95Å; A32-Y39 HydrophobicContact CB-CG 3.98Å
33	R	83.7	Confident	85.2	Confident	80 Å²	80	82 Å²	82	30%	0.302	39%	0.394	S	S	.	.	H	α-helix	trans	-65.7	-30.5	177	-172	67.3	178.5	174.2	14.6	113.4	V29 R35 D36 R37 Y39	V29-R33 VanDerWaalsContact O-CB 3.22Å; V29-R33 WeakPolarHBondContact O-CB 3.44Å; V29-R33 PolarHBondContact O-N 3.01Å; R33-R35 VanDerWaalsContact C-N 3.33Å; R33-D36 CarbonylContact C-O 3.42Å; R33-D36 WeakPolarHBondContact CA-O 3.3Å; R33-D36 CarbonylContact O-C 3.47Å; R33-D36 VanDerWaalsContact O-O 3.07Å; R33-R37 PolarHBondContact NH1-O 3.38Å; R33-R37 PolarHBondContact NH2-O 3.46Å; R33-Y39 HydrophobicContact CB-CD1 4.44Å; R33-Y39 WeakPolarHBondContact CD-O 3.32Å; R33-Y39 PolarHBondContact NH1-O 2.92Å
34	A	84.3	Confident	84.6	Confident	89 Å²	89	83.2 Å²	83.2	74%	0.736	40%	0.4	S	S	*	.	H	α-helix	trans	-71.5	-30.8	174.3	0	0	0	0	0	112.1	K30 A31 A32	K30-A34 VanDerWaalsContact O-CB 3.3Å; K30-A34 WeakPolarHBondContact O-CB 3.35Å; K30-A34 PolarHBondContact O-N 3.4Å; A31-A34 PolarHBondContact O-N 3.33Å; A32-A34 VanDerWaalsContact C-N 3.3Å; A32-A34 PolarHBondContact O-N 2.97Å
35	R	87.6	Confident	83.9	Confident	234 Å²	234	82.8 Å²	82.8	88%	0.883	40%	0.401	S	S	*	.	H	α-helix	trans	-80.2	-39.4	175.8	-174.3	-178.2	-69.9	-165.1	-2.4	112.1	A31 A32 R33	A31-R35 PolarHBondContact O-N 3.38Å; A31-R35 VanDerWaalsContact O-N 3.09Å; A32-R35 PolarHBondContact O-N 3.03Å; A32-R35 VanDerWaalsContact O-N 3.12Å; R33-R35 VanDerWaalsContact C-N 3.33Å
36	D	86.8	Confident	83.1	Confident	78 Å²	78	83.1 Å²	83.1	42%	0.417	42%	0.421	S	S	.	.			trans	-132.3	116.3	-177.4	-179.1	6.3	0	0	0	110.8	A32 R33 D38 Y39	A32-D36 PolarHBondContact O-N 3.01Å; R33-D36 CarbonylContact C-O 3.42Å; R33-D36 WeakPolarHBondContact CA-O 3.3Å; R33-D36 CarbonylContact O-C 3.47Å; R33-D36 VanDerWaalsContact O-O 3.07Å; D36-D38 PolarHBondContact O-N 3.31Å; D36-D38 PolarHBondContact OD1-N 2.85Å; D36-Y39 VanDerWaalsContact O-CB 3.31Å; D36-Y39 WeakPolarHBondContact O-CB 3.29Å; D36-Y39 PolarHBondContact O-N 2.77Å
37	R	78.3	Confident	82.2	Confident	212 Å²	212	89.3 Å²	89.3	80%	0.8	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-11.7	180	-80.4	-172.4	160.3	142	-2.6	113.5	R33	R33-R37 PolarHBondContact NH1-O 3.38Å; R33-R37 PolarHBondContact NH2-O 3.46Å
38	D	81.5	Confident	81.2	Confident	141 Å²	141	88.9 Å²	88.9	75%	0.754	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	-3.4	175.9	-66.1	-36.1	0	0	0	112.6	D36 R40	D36-D38 PolarHBondContact O-N 3.31Å; D36-D38 PolarHBondContact OD1-N 2.85Å; D38-R40 PolarHBondContact O-N 3.09Å
39	Y	80.4	Confident	80.7	Confident	61 Å²	61	85.6 Å²	85.6	24%	0.239	45%	0.449	C	S	.	.			trans	-58.4	123.6	176	-179.7	-96.3	0	0	0	112.1	V29 A32 R33 D36 A41	V29-Y39 HydrophobicContact CG1-CE1 4.48Å; A32-Y39 HydrophobicContact CB-CD1 3.83Å; A32-Y39 HydrophobicContact CB-CD2 4.04Å; A32-Y39 HydrophobicContact CB-CE1 3.74Å; A32-Y39 HydrophobicContact CB-CE2 3.95Å; A32-Y39 HydrophobicContact CB-CG 3.98Å; R33-Y39 HydrophobicContact CB-CD1 4.44Å; R33-Y39 WeakPolarHBondContact CD-O 3.32Å; R33-Y39 PolarHBondContact NH1-O 2.92Å; D36-Y39 VanDerWaalsContact O-CB 3.31Å; D36-Y39 WeakPolarHBondContact O-CB 3.29Å; D36-Y39 PolarHBondContact O-N 2.77Å; Y39-A41 HydrophobicContact CE1-CB 4.05Å
40	R	76.4	Confident	80.4	Confident	214 Å²	214	86.6 Å²	86.6	81%	0.808	46%	0.456	S	S	*	.			trans	-106.1	125	171.3	-74.2	-172.5	176.1	177.8	0.1	110.1	D38	D38-R40 PolarHBondContact O-N 3.09Å
41	A	79.4	Confident	80.1	Confident	6 Å²	6	85 Å²	85	5%	0.05	45%	0.449	C	S	.	.			trans	-77.6	157.5	176.1	0	0	0	0	0	111.2	V29 Y39 C43 D44 S52	V29-A41 HydrophobicContact CB-CB 4.33Å; V29-A41 HydrophobicContact CG1-CB 3.64Å; V29-A41 HydrophobicContact CG2-CB 3.68Å; Y39-A41 HydrophobicContact CE1-CB 4.05Å; A41-C43 PolarHBondContact O-N 3.11Å; A41-C43 VanDerWaalsContact O-N 3.11Å; A41-D44 PolarHBondContact N-OD2 3.21Å; A41-D44 WeakPolarHBondContact O-CB 3.48Å; A41-D44 PolarHBondContact O-N 3.22Å; A41-S52 WeakPolarHBondContact CB-OG 3.39Å
42	L	76.1	Confident	79.8	Confident	155 Å²	155	82.2 Å²	82.2	81%	0.812	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-20.9	173.6	-57.8	163.4	0	0	0	112.7	Y25	Y25-L42 HydrophobicContact CE2-CD1 4.36Å; Y25-L42 VanDerWaalsContact OH-CB 3.26Å; Y25-L42 WeakPolarHBondContact OH-CB 3.02Å; Y25-L42 PolarHBondContact OH-N 3.04Å
43	C	79.8	Confident	79.5	Confident	12 Å²	12	86.9 Å²	86.9	8%	0.081	44%	0.44	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	3.9	177.2	50	0	0	0	0	113.4	Y25 A41 V45 C51 V134	Y25-C43 HydrophobicContact CE1-CB 4.26Å; Y25-C43 WeakPolarHBondContact CE1-SG 3.41Å; A41-C43 PolarHBondContact O-N 3.11Å; A41-C43 VanDerWaalsContact O-N 3.11Å; C43-V45 PolarHBondContact O-N 2.98Å; C43-C51 VanDerWaalsContact CA-SG 3.6Å; C43-C51 HydrophobicContact CB-CB 3.79Å; C43-C51 WeakPolarHBondContact CB-SG 3.49Å; C43-C51 WeakPolarHBondContact SG-CB 3.5Å; C43-C51 CovalentContact SG-SG 2Å; C43-C51 PolarHBondContact SG-SG 3.11Å; C43-V134 HydrophobicContact CB-CG2 3.61Å
44	D	80.9	Confident	79.5	Confident	33 Å²	33	83.9 Å²	83.9	18%	0.176	43%	0.43	C	S	.	.	B	Isolated β-bridge	trans	-87.3	97.8	169.7	-66.2	-36.3	0	0	0	109.1	A41 I49 S50 C51 S52	A41-D44 PolarHBondContact N-OD2 3.21Å; A41-D44 WeakPolarHBondContact O-CB 3.48Å; A41-D44 PolarHBondContact O-N 3.22Å; D44-I49 CarbonylContact C-O 3.55Å; D44-I49 VanDerWaalsContact CA-O 3.27Å; D44-I49 WeakPolarHBondContact CA-O 3.25Å; D44-S50 VanDerWaalsContact OD1-C 3.32Å; D44-S50 WeakPolarHBondContact OD1-CA 3.45Å; D44-S50 VanDerWaalsContact OD1-CB 3.31Å; D44-S50 WeakPolarHBondContact OD1-CB 3.47Å; D44-S50 PolarHBondContact OD1-OG 2.89Å; D44-C51 PolarHBondContact OD1-N 2.87Å; D44-C51 PolarHBondContact OD1-SG 3.44Å; D44-S52 PolarHBondContact OD1-N 3.5Å; D44-S52 PolarHBondContact OD1-OG 3.22Å; D44-S52 VanDerWaalsContact OD2-CB 3.29Å; D44-S52 WeakPolarHBondContact OD2-CB 3.31Å; D44-S52 PolarHBondContact OD2-OG 3.48Å
45	V	78.8	Confident	79.4	Confident	84 Å²	84	80.6 Å²	80.6	51%	0.509	40%	0.399	S	S	.	.			trans	-108.3	76.9	-177.9	-172.3	0	0	0	0	109.6	C43 I49	C43-V45 PolarHBondContact O-N 2.98Å; V45-I49 HydrophobicContact CB-CB 4.1Å; V45-I49 HydrophobicContact CB-CD1 4.18Å; V45-I49 HydrophobicContact CB-CG2 3.88Å; V45-I49 HydrophobicContact CG1-CD1 4.44Å; V45-I49 HydrophobicContact CG2-CG2 4.31Å; V45-I49 PolarHBondContact N-O 3.4Å; V45-I49 WeakPolarHBondContact O-CB 3.26Å
46	G	73.7	Confident	79.2	Confident	59 Å²	59	73 Å²	73	61%	0.608	38%	0.382	S	S	*	.	S	Bend	trans	84.3	-162.4	-179	0	0	0	0	0	113.6
47	T	69.4	Low	79.1	Confident	133 Å²	133	70.3 Å²	70.3	82%	0.816	37%	0.369	S	S	*	.	S	Bend	trans	-84.5	-21	-168.4	51.7	0	0	0	0	114.4	R53	T47-R53 PolarHBondContact O-NH2 2.86Å
48	A	68.8	Low	79.5	Confident	52 Å²	52	67.5 Å²	67.5	43%	0.43	36%	0.359	S	S	.	.	S	Bend	trans	-106.4	-4.4	-178.5	0	0	0	0	0	114	F131	A48-F131 PolarHBondContact O-N 3.35Å
49	I	79.4	Confident	79.7	Confident	42 Å²	42	62.8 Å²	62.8	22%	0.215	33%	0.33	C	S	.	.			trans	-123.8	84.5	176.8	-60.8	159.5	0	0	0	106.7	D44 V45 F131 I133	D44-I49 CarbonylContact C-O 3.55Å; D44-I49 VanDerWaalsContact CA-O 3.27Å; D44-I49 WeakPolarHBondContact CA-O 3.25Å; V45-I49 HydrophobicContact CB-CB 4.1Å; V45-I49 HydrophobicContact CB-CD1 4.18Å; V45-I49 HydrophobicContact CB-CG2 3.88Å; V45-I49 HydrophobicContact CG1-CD1 4.44Å; V45-I49 HydrophobicContact CG2-CG2 4.31Å; V45-I49 PolarHBondContact N-O 3.4Å; V45-I49 WeakPolarHBondContact O-CB 3.26Å; I49-F131 HydrophobicContact CG1-CB 3.86Å; I49-F131 WeakPolarHBondContact CG2-O 3.4Å; I49-I133 HydrophobicContact CG2-CD1 4.2Å; I49-I133 HydrophobicContact CG2-CG1 4.29Å
50	S	81.3	Confident	79.9	Confident	21 Å²	21	60.3 Å²	60.3	15%	0.147	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-123.7	103.6	173.3	-177.3	0	0	0	0	113	D44 S52 R53 V54 D130	D44-S50 VanDerWaalsContact OD1-C 3.32Å; D44-S50 WeakPolarHBondContact OD1-CA 3.45Å; D44-S50 VanDerWaalsContact OD1-CB 3.31Å; D44-S50 WeakPolarHBondContact OD1-CB 3.47Å; D44-S50 PolarHBondContact OD1-OG 2.89Å; S50-S52 VanDerWaalsContact C-N 3.27Å; S50-S52 PolarHBondContact O-N 3.41Å; S50-R53 PolarHBondContact O-N 3.47Å; S50-R53 PolarHBondContact OG-N 3.22Å; S50-R53 VanDerWaalsContact OG-N 3.14Å; S50-V54 WeakPolarHBondContact O-CG2 3.1Å; S50-V54 PolarHBondContact O-N 2.84Å; S50-D130 PolarHBondContact N-OD1 3.37Å
51	C	81.6	Confident	80.4	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-64.9	-33.1	170	58.6	0	0	0	0	111.7	C43 D44 R53 V54 F55	C43-C51 VanDerWaalsContact CA-SG 3.6Å; C43-C51 HydrophobicContact CB-CB 3.79Å; C43-C51 WeakPolarHBondContact CB-SG 3.49Å; C43-C51 WeakPolarHBondContact SG-CB 3.5Å; C43-C51 CovalentContact SG-SG 2Å; C43-C51 PolarHBondContact SG-SG 3.11Å; D44-C51 PolarHBondContact OD1-N 2.87Å; D44-C51 PolarHBondContact OD1-SG 3.44Å; C51-R53 PolarHBondContact O-N 2.75Å; C51-V54 PolarHBondContact O-N 3.34Å; C51-F55 HydrophobicContact CB-CD2 4.31Å; C51-F55 HydrophobicContact CB-CE2 3.83Å; C51-F55 HydrophobicContact CB-CZ 4.34Å; C51-F55 WeakPolarHBondContact O-CD2 3.36Å; C51-F55 VanDerWaalsContact O-CG 3.25Å; C51-F55 WeakPolarHBondContact O-CG 3.14Å; C51-F55 PolarHBondContact O-N 3.43Å
52	S	81.2	Confident	80.7	Confident	2 Å²	2	56.2 Å²	56.2	1%	0.014	31%	0.306	C	S	.	.	H	α-helix	trans	-61.7	-45.1	177.9	-62.2	0	0	0	0	111.1	A41 D44 S50 F55 S56	A41-S52 WeakPolarHBondContact CB-OG 3.39Å; D44-S52 PolarHBondContact OD1-N 3.5Å; D44-S52 PolarHBondContact OD1-OG 3.22Å; D44-S52 VanDerWaalsContact OD2-CB 3.29Å; D44-S52 WeakPolarHBondContact OD2-CB 3.31Å; D44-S52 PolarHBondContact OD2-OG 3.48Å; S50-S52 VanDerWaalsContact C-N 3.27Å; S50-S52 PolarHBondContact O-N 3.41Å; S52-F55 PolarHBondContact O-N 3.38Å; S52-S56 VanDerWaalsContact O-CB 3.27Å; S52-S56 WeakPolarHBondContact O-CB 3.22Å; S52-S56 PolarHBondContact O-N 2.98Å; S52-S56 PolarHBondContact O-OG 2.76Å
53	R	79.9	Confident	81.1	Confident	117 Å²	117	51.6 Å²	51.6	44%	0.442	28%	0.28	S	S	.	.	H	α-helix	trans	-62.1	-47.3	175.7	-174	163.8	62.3	-173.4	-6.3	111.1	T47 S50 C51 F55 S56 S57 D130	T47-R53 PolarHBondContact O-NH2 2.86Å; S50-R53 PolarHBondContact O-N 3.47Å; S50-R53 PolarHBondContact OG-N 3.22Å; S50-R53 VanDerWaalsContact OG-N 3.14Å; C51-R53 PolarHBondContact O-N 2.75Å; R53-F55 PolarHBondContact O-N 2.84Å; R53-S56 PolarHBondContact O-N 3.43Å; R53-S56 PolarHBondContact O-OG 3.45Å; R53-S57 PolarHBondContact O-N 3.06Å; R53-S57 VanDerWaalsContact O-N 3.09Å; R53-D130 IonicContact CZ-OD1 3.55Å; R53-D130 IonicContact CZ-OD2 3.23Å; R53-D130 VanDerWaalsContact CZ-OD2 3.23Å; R53-D130 IonicContact NE-OD1 3.59Å; R53-D130 IonicContact NE-OD2 2.69Å; R53-D130 PolarHBondContact NE-OD2 3.45Å; R53-D130 IonicContact NH2-OD1 2.7Å; R53-D130 PolarHBondContact NH2-OD1 3.21Å; R53-D130 IonicContact NH2-OD2 3.07Å; R53-D130 PolarHBondContact NH2-OD2 3.35Å
54	V	83.2	Confident	81.3	Confident	16 Å²	16	51.5 Å²	51.5	10%	0.097	28%	0.281	C	S	.	.	H	α-helix	trans	-59.3	-46.7	178.3	174.9	0	0	0	0	112.1	S50 C51 S56 S57 L124 L128 D130 C132	S50-V54 WeakPolarHBondContact O-CG2 3.1Å; S50-V54 PolarHBondContact O-N 2.84Å; C51-V54 PolarHBondContact O-N 3.34Å; V54-S56 PolarHBondContact O-N 2.9Å; V54-S57 WeakPolarHBondContact O-CB 3.38Å; V54-S57 PolarHBondContact O-N 2.89Å; V54-S57 PolarHBondContact O-OG 2.97Å; V54-L124 HydrophobicContact CG1-CD1 4.18Å; V54-L124 HydrophobicContact CG2-CD1 4.27Å; V54-L128 HydrophobicContact CB-CD2 4.2Å; V54-L128 HydrophobicContact CG1-CD2 4.35Å; V54-L128 HydrophobicContact CG2-CD2 3.8Å; V54-D130 HydrophobicContact CG2-CB 3.68Å; V54-C132 HydrophobicContact CG2-CB 4.18Å
55	F	83.3	Confident	81.5	Confident	21 Å²	21	54.2 Å²	54.2	9%	0.092	30%	0.295	C	S	.	.	H	α-helix	trans	-73.3	-28.1	-178.5	-61.1	-35.6	0	0	0	114.1	A26 V29 K30 C51 S52 R53 S57 V134	A26-F55 HydrophobicContact CB-CD1 4.44Å; A26-F55 HydrophobicContact CB-CD2 4.04Å; A26-F55 HydrophobicContact CB-CE1 3.94Å; A26-F55 HydrophobicContact CB-CE2 3.48Å; A26-F55 VanDerWaalsContact CB-CE2 3.48Å; A26-F55 HydrophobicContact CB-CZ 3.43Å; A26-F55 VanDerWaalsContact CB-CZ 3.43Å; V29-F55 HydrophobicContact CB-CD2 4.43Å; V29-F55 HydrophobicContact CG1-CD2 4.1Å; K30-F55 HydrophobicContact CB-CB 4.33Å; K30-F55 PolarHBondContact NZ-O 3.35Å; C51-F55 HydrophobicContact CB-CD2 4.31Å; C51-F55 HydrophobicContact CB-CE2 3.83Å; C51-F55 HydrophobicContact CB-CZ 4.34Å; C51-F55 WeakPolarHBondContact O-CD2 3.36Å; C51-F55 VanDerWaalsContact O-CG 3.25Å; C51-F55 WeakPolarHBondContact O-CG 3.14Å; C51-F55 PolarHBondContact O-N 3.43Å; S52-F55 PolarHBondContact O-N 3.38Å; R53-F55 PolarHBondContact O-N 2.84Å; F55-S57 VanDerWaalsContact C-N 3.33Å; F55-V134 HydrophobicContact CZ-CB 4.39Å; F55-V134 HydrophobicContact CZ-CG1 3.98Å
56	S	82.9	Confident	81.6	Confident	74 Å²	74	51.6 Å²	51.6	52%	0.517	28%	0.279	S	S	.	.	H	α-helix	trans	-77.9	-17.9	175.6	70	0	0	0	0	113.4	S52 R53 V54	S52-S56 VanDerWaalsContact O-CB 3.27Å; S52-S56 WeakPolarHBondContact O-CB 3.22Å; S52-S56 PolarHBondContact O-N 2.98Å; S52-S56 PolarHBondContact O-OG 2.76Å; R53-S56 PolarHBondContact O-N 3.43Å; R53-S56 PolarHBondContact O-OG 3.45Å; V54-S56 PolarHBondContact O-N 2.9Å
57	S	85.9	Confident	82.1	Confident	21 Å²	21	52.6 Å²	52.6	15%	0.147	27%	0.268	C	S	.	.	S	Bend	trans	-64.4	161.3	178.4	77.8	0	0	0	0	113.2	R53 V54 F55 W59 G60	R53-S57 PolarHBondContact O-N 3.06Å; R53-S57 VanDerWaalsContact O-N 3.09Å; V54-S57 WeakPolarHBondContact O-CB 3.38Å; V54-S57 PolarHBondContact O-N 2.89Å; V54-S57 PolarHBondContact O-OG 2.97Å; F55-S57 VanDerWaalsContact C-N 3.33Å; S57-W59 PolarHBondContact O-N 3.38Å; S57-W59 PolarHBondContact OG-N 3.33Å; S57-G60 PolarHBondContact O-N 2.73Å; S57-G60 PolarHBondContact OG-N 3.39Å
58	R	85.9	Confident	82.7	Confident	154 Å²	154	53.2 Å²	53.2	58%	0.581	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-55.5	-34.2	174.8	67.3	178.7	178.4	174.9	0.1	112.8	G60 R61	R58-G60 PolarHBondContact O-N 3.41Å; R58-R61 PolarHBondContact O-N 3.31Å
59	W	86.6	Confident	83.4	Confident	42 Å²	42	56.5 Å²	56.5	16%	0.159	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-73.1	-17.9	179.6	-50.7	-80.5	0	0	0	112.7	S57 R61 F63 N80 I123 V127 L128	S57-W59 PolarHBondContact O-N 3.38Å; S57-W59 PolarHBondContact OG-N 3.33Å; W59-R61 PolarHBondContact O-N 2.97Å; W59-F63 WeakPolarHBondContact O-CA 3.5Å; W59-N80 PolarHBondContact O-ND2 2.99Å; W59-N80 PolarHBondContact O-OD1 3.01Å; W59-I123 HydrophobicContact CB-CG2 4.07Å; W59-I123 HydrophobicContact CD2-CG2 3.64Å; W59-I123 HydrophobicContact CE3-CG2 4.09Å; W59-I123 HydrophobicContact CG-CG2 3.63Å; W59-V127 HydrophobicContact CH2-CG1 3.45Å; W59-V127 VanDerWaalsContact CH2-CG1 3.45Å; W59-V127 HydrophobicContact CZ2-CB 4.41Å; W59-V127 HydrophobicContact CZ2-CG1 3.35Å; W59-V127 HydrophobicContact CZ3-CG1 4.43Å; W59-L128 HydrophobicContact CD2-CD1 3.98Å; W59-L128 HydrophobicContact CE3-CD1 3.25Å; W59-L128 HydrophobicContact CE3-CD2 4.1Å; W59-L128 HydrophobicContact CE3-CG 3.97Å; W59-L128 HydrophobicContact CH2-CD1 3.75Å; W59-L128 HydrophobicContact CH2-CG 4.42Å; W59-L128 HydrophobicContact CZ2-CD1 4.4Å; W59-L128 HydrophobicContact CZ3-CD1 3.12Å; W59-L128 HydrophobicContact CZ3-CD2 4.12Å; W59-L128 HydrophobicContact CZ3-CG 3.6Å
60	G	83.9	Confident	83.5	Confident	8 Å²	8	58.9 Å²	58.9	8%	0.082	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-77.2	-0.9	174.2	0	0	0	0	0	114.4	K30 S57 R58 S79 N80	K30-G60 PolarHBondContact NZ-O 2.95Å; S57-G60 PolarHBondContact O-N 2.73Å; S57-G60 PolarHBondContact OG-N 3.39Å; R58-G60 PolarHBondContact O-N 3.41Å; G60-S79 WeakPolarHBondContact O-CA 3.34Å; G60-N80 PolarHBondContact O-N 3.45Å; G60-N80 VanDerWaalsContact O-N 3.13Å
61	R	86.1	Confident	83.4	Confident	135 Å²	135	59 Å²	59	51%	0.509	29%	0.293	S	S	.	.	B	Isolated β-bridge	trans	-127.1	125.6	173.2	-172.2	-173.8	-81.1	154.2	-4.5	108.9	R58 W59 F63 G64 N77 Q78	R58-R61 PolarHBondContact O-N 3.31Å; W59-R61 PolarHBondContact O-N 2.97Å; R61-F63 PolarHBondContact O-N 2.95Å; R61-G64 PolarHBondContact O-N 3.44Å; R61-N77 WeakPolarHBondContact CD-O 3.33Å; R61-N77 WeakPolarHBondContact CG-O 3.43Å; R61-N77 WeakPolarHBondContact CG-OD1 3.41Å; R61-Q78 CarbonylContact C-O 3.56Å
62	G	85.5	Confident	83.2	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	55.8	28.5	176.9	0	0	0	0	0	113.7	G64 L65 V66 Q78 N80	G62-G64 PolarHBondContact O-N 2.93Å; G62-L65 PolarHBondContact O-N 3.2Å; G62-V66 VanDerWaalsContact O-CG2 3.29Å; G62-V66 WeakPolarHBondContact O-CG2 3.43Å; G62-V66 PolarHBondContact O-N 3.39Å; G62-Q78 PolarHBondContact N-O 3.47Å; G62-N80 PolarHBondContact N-OD1 3.45Å
63	F	85.9	Confident	83.2	Confident	58 Å²	58	70 Å²	70	25%	0.254	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	55.1	13.6	-171.4	-56	-91.8	0	0	0	114.5	W59 R61 L65 N80 F83 Y119 L120	W59-F63 WeakPolarHBondContact O-CA 3.5Å; R61-F63 PolarHBondContact O-N 2.95Å; F63-L65 PolarHBondContact O-N 3.11Å; F63-N80 PolarHBondContact N-OD1 2.91Å; F63-F83 AromaticContact CE2-CD2 3.79Å; F63-F83 HydrophobicContact CE2-CD2 3.79Å; F63-F83 HydrophobicContact CE2-CE2 4.27Å; F63-F83 HydrophobicContact CE2-CG 4.25Å; F63-F83 HydrophobicContact CZ-CB 4.49Å; F63-F83 HydrophobicContact CZ-CD2 4.45Å; F63-Y119 HydrophobicContact CB-CE1 4.38Å; F63-Y119 VanDerWaalsContact O-CE1 3.32Å; F63-Y119 WeakPolarHBondContact O-CE1 3.32Å; F63-L120 HydrophobicContact CD1-CD1 3.82Å; F63-L120 HydrophobicContact CD1-CD2 4.09Å; F63-L120 HydrophobicContact CD1-CG 4Å; F63-L120 HydrophobicContact CE1-CD1 3.8Å; F63-L120 HydrophobicContact CE1-CG 4.42Å
64	G	82.9	Confident	83.3	Confident	10 Å²	10	66.1 Å²	66.1	10%	0.103	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	66.4	7.2	-170.2	0	0	0	0	0	114.7	R61 G62	R61-G64 PolarHBondContact O-N 3.44Å; G62-G64 PolarHBondContact O-N 2.93Å
65	L	84.5	Confident	83.4	Confident	90 Å²	90	72.4 Å²	72.4	47%	0.471	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	-38.2	-178.4	-65.9	173.1	0	0	0	111.6	G62 F63 E67 H68 V69 Y119	G62-L65 PolarHBondContact O-N 3.2Å; F63-L65 PolarHBondContact O-N 3.11Å; L65-E67 VanDerWaalsContact C-N 3.26Å; L65-E67 PolarHBondContact O-N 3.21Å; L65-H68 PolarHBondContact O-N 3.47Å; L65-V69 PolarHBondContact O-N 3.29Å; L65-Y119 HydrophobicContact CD1-CE1 4.18Å; L65-Y119 HydrophobicContact CD1-CE2 4.48Å; L65-Y119 HydrophobicContact CG-CE1 4.43Å
66	V	82.4	Confident	83.2	Confident	28 Å²	28	75.8 Å²	75.8	17%	0.17	40%	0.396	C	S	.	.	H	α-helix	trans	-61	-37.6	-175.7	174.9	0	0	0	0	111.5	G62 H68 V69 L70 L76 N77	G62-V66 VanDerWaalsContact O-CG2 3.29Å; G62-V66 WeakPolarHBondContact O-CG2 3.43Å; G62-V66 PolarHBondContact O-N 3.39Å; V66-H68 PolarHBondContact O-N 2.94Å; V66-V69 PolarHBondContact O-N 2.72Å; V66-L70 HydrophobicContact CG1-CB 4.21Å; V66-L70 HydrophobicContact CG1-CD1 4.1Å; V66-L70 HydrophobicContact CG1-CG 4.49Å; V66-L70 PolarHBondContact O-N 3.41Å; V66-L76 HydrophobicContact CG1-CB 4.02Å; V66-N77 HydrophobicContact CG1-CB 4.17Å
67	E	83.8	Confident	83.4	Confident	81 Å²	81	72.9 Å²	72.9	38%	0.379	38%	0.375	S	S	.	.	H	α-helix	trans	-57.6	-36.6	176	-178.8	174.4	-170.8	0	0	112.7	L65 G71 P72	L65-E67 VanDerWaalsContact C-N 3.26Å; L65-E67 PolarHBondContact O-N 3.21Å; E67-G71 CarbonylContact O-C 3.47Å; E67-G71 WeakPolarHBondContact O-CA 3.39Å; E67-G71 PolarHBondContact O-N 3.09Å; E67-G71 VanDerWaalsContact O-N 3.15Å; E67-P72 HydrophobicContact CG-CB 4.16Å
68	H	81.3	Confident	83.5	Confident	146 Å²	146	75.6 Å²	75.6	68%	0.676	39%	0.385	S	S	*	.	H	α-helix	trans	-81.5	-26.3	-176.9	-65.5	47.6	0	0	0	112.3	L65 V66	L65-H68 PolarHBondContact O-N 3.47Å; V66-H68 PolarHBondContact O-N 2.94Å
69	V	84.9	Confident	83.6	Confident	120 Å²	120	68.7 Å²	68.7	73%	0.727	36%	0.36	S	S	*	.	H	α-helix	trans	-95.3	-42.9	-176	179.9	0	0	0	0	111.9	L65 V66	L65-V69 PolarHBondContact O-N 3.29Å; V66-V69 PolarHBondContact O-N 2.72Å
70	L	80.4	Confident	83.8	Confident	93 Å²	93	67.9 Å²	67.9	49%	0.487	36%	0.359	S	S	.	.	H	α-helix	trans	-113.1	-3.3	-173.1	-61.4	-179.5	0	0	0	113.5	V66 S74 L76	V66-L70 HydrophobicContact CG1-CB 4.21Å; V66-L70 HydrophobicContact CG1-CD1 4.1Å; V66-L70 HydrophobicContact CG1-CG 4.49Å; V66-L70 PolarHBondContact O-N 3.41Å; L70-S74 WeakPolarHBondContact O-CB 3.44Å; L70-L76 HydrophobicContact CD1-CB 4Å; L70-L76 HydrophobicContact CD1-CD1 3.51Å; L70-L76 HydrophobicContact CD1-CG 4.32Å
71	G	80.2	Confident	84.1	Confident	23 Å²	23	68 Å²	68	24%	0.237	36%	0.359	C	S	.	.			trans	86.9	161.1	-177.7	0	0	0	0	0	113.7	E67 D73 S74	E67-G71 CarbonylContact O-C 3.47Å; E67-G71 WeakPolarHBondContact O-CA 3.39Å; E67-G71 PolarHBondContact O-N 3.09Å; E67-G71 VanDerWaalsContact O-N 3.15Å; G71-D73 VanDerWaalsContact C-N 3.33Å; G71-D73 PolarHBondContact O-N 3.39Å; G71-S74 WeakPolarHBondContact O-CB 3.48Å; G71-S74 PolarHBondContact O-N 2.89Å
72	P	76.9	Confident	84.3	Confident	75 Å²	75	64 Å²	64	49%	0.487	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-32.5	-176.9	25.6	-33.5	0	0	0	113.2	E67 S74 N77	E67-P72 HydrophobicContact CG-CB 4.16Å; P72-S74 VanDerWaalsContact C-N 3.28Å; P72-S74 PolarHBondContact O-N 3.39Å; P72-N77 PolarHBondContact O-ND2 2.94Å
73	D	80.3	Confident	84.6	Confident	159 Å²	159	66.8 Å²	66.8	85%	0.85	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	2.2	-177.2	-58	-45	0	0	0	113.6	G71	G71-D73 VanDerWaalsContact C-N 3.33Å; G71-D73 PolarHBondContact O-N 3.39Å
74	S	82.3	Confident	84.9	Confident	34 Å²	34	64.7 Å²	64.7	24%	0.238	35%	0.354	C	S	.	.			trans	-65	138.3	179	-171.1	0	0	0	0	111.5	L70 G71 P72 L76 N77	L70-S74 WeakPolarHBondContact O-CB 3.44Å; G71-S74 WeakPolarHBondContact O-CB 3.48Å; G71-S74 PolarHBondContact O-N 2.89Å; P72-S74 VanDerWaalsContact C-N 3.28Å; P72-S74 PolarHBondContact O-N 3.39Å; S74-L76 PolarHBondContact O-N 3.15Å; S74-L76 VanDerWaalsContact O-N 3.07Å; S74-L76 PolarHBondContact OG-N 3.37Å; S74-N77 WeakPolarHBondContact O-CB 3.35Å; S74-N77 PolarHBondContact O-N 3.49Å
75	I	85.2	Confident	85.4	Confident	148 Å²	148	65.2 Å²	65.2	76%	0.759	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-23.7	173.3	-59	172.1	0	0	0	111.1	N77 Q78	I75-N77 VanDerWaalsContact C-N 3.33Å; I75-Q78 WeakPolarHBondContact O-CG 3.41Å; I75-Q78 PolarHBondContact O-NE2 3.32Å
76	L	80.1	Confident	85.8	Confident	92 Å²	92	65.1 Å²	65.1	48%	0.482	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-8.3	176.8	-66	178.1	0	0	0	113.4	V66 L70 S74 Q78 F83	V66-L76 HydrophobicContact CG1-CB 4.02Å; L70-L76 HydrophobicContact CD1-CB 4Å; L70-L76 HydrophobicContact CD1-CD1 3.51Å; L70-L76 HydrophobicContact CD1-CG 4.32Å; S74-L76 PolarHBondContact O-N 3.15Å; S74-L76 VanDerWaalsContact O-N 3.07Å; S74-L76 PolarHBondContact OG-N 3.37Å; L76-Q78 PolarHBondContact O-N 3.27Å; L76-F83 VanDerWaalsContact O-CZ 3.27Å; L76-F83 WeakPolarHBondContact O-CZ 3.45Å
77	N	86.3	Confident	86.3	Confident	13 Å²	13	65 Å²	65	7%	0.07	35%	0.352	C	S	.	.			trans	-81	51.2	176.2	-164.1	23.1	0	0	0	111.9	R61 V66 P72 S74 I75	R61-N77 WeakPolarHBondContact CD-O 3.33Å; R61-N77 WeakPolarHBondContact CG-O 3.43Å; R61-N77 WeakPolarHBondContact CG-OD1 3.41Å; V66-N77 HydrophobicContact CG1-CB 4.17Å; P72-N77 PolarHBondContact O-ND2 2.94Å; S74-N77 WeakPolarHBondContact O-CB 3.35Å; S74-N77 PolarHBondContact O-N 3.49Å; I75-N77 VanDerWaalsContact C-N 3.33Å
78	Q	88.5	Confident	86.9	Confident	79 Å²	79	61.3 Å²	61.3	37%	0.369	34%	0.335	S	S	.	.			trans	-91.3	166.3	-178	-65	-61.9	-23.9	0	0	112	R61 G62 I75 L76 I82 F83	R61-Q78 CarbonylContact C-O 3.56Å; G62-Q78 PolarHBondContact N-O 3.47Å; I75-Q78 WeakPolarHBondContact O-CG 3.41Å; I75-Q78 PolarHBondContact O-NE2 3.32Å; L76-Q78 PolarHBondContact O-N 3.27Å; Q78-I82 HydrophobicContact CB-CB 4.44Å; Q78-I82 HydrophobicContact CB-CD1 4.12Å; Q78-I82 HydrophobicContact CB-CG2 4.48Å; Q78-F83 HydrophobicContact CB-CE2 4.17Å; Q78-F83 HydrophobicContact CB-CZ 4.32Å
79	S	88.4	Confident	87.4	Confident	8 Å²	8	57.2 Å²	57.2	6%	0.056	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	-60.7	143.9	174	73.2	0	0	0	0	111.9	L27 G60 S81 I82	L27-S79 WeakPolarHBondContact CD1-OG 3.44Å; G60-S79 WeakPolarHBondContact O-CA 3.34Å; S79-S81 PolarHBondContact O-N 2.66Å; S79-S81 VanDerWaalsContact O-N 3.14Å; S79-I82 WeakPolarHBondContact O-CB 3.49Å; S79-I82 PolarHBondContact O-N 3.19Å; S79-I82 WeakPolarHBondContact OG-CD1 3.34Å; S79-I82 VanDerWaalsContact OG-CG1 3.31Å; S79-I82 WeakPolarHBondContact OG-CG1 3.42Å; S79-I82 PolarHBondContact OG-N 3.16Å
80	N	90.2	Very high	87.8	Confident	26 Å²	26	55.7 Å²	55.7	14%	0.139	31%	0.307	C	S	.	.	H	α-helix	trans	-58.2	-32.2	179.4	-63.3	4.4	0	0	0	112.1	W59 G60 G62 F63 I82 F83 G84	W59-N80 PolarHBondContact O-ND2 2.99Å; W59-N80 PolarHBondContact O-OD1 3.01Å; G60-N80 PolarHBondContact O-N 3.45Å; G60-N80 VanDerWaalsContact O-N 3.13Å; G62-N80 PolarHBondContact N-OD1 3.45Å; F63-N80 PolarHBondContact N-OD1 2.91Å; N80-I82 VanDerWaalsContact C-N 3.3Å; N80-I82 PolarHBondContact O-N 3.12Å; N80-F83 WeakPolarHBondContact O-CB 3.34Å; N80-F83 PolarHBondContact O-N 3.05Å; N80-G84 PolarHBondContact O-N 3.28Å
81	S	89	Confident	88.4	Confident	11 Å²	11	51.3 Å²	51.3	8%	0.077	28%	0.284	C	S	.	.	H	α-helix	trans	-62.8	-32.5	176.6	-51.4	0	0	0	0	113.2	S23 A26 S79 G84 C85	S23-S81 WeakPolarHBondContact O-CB 3.48Å; A26-S81 VanDerWaalsContact CB-OG 3.22Å; A26-S81 WeakPolarHBondContact CB-OG 3.47Å; S79-S81 PolarHBondContact O-N 2.66Å; S79-S81 VanDerWaalsContact O-N 3.14Å; S81-G84 PolarHBondContact O-N 3.49Å; S81-C85 PolarHBondContact O-N 2.89Å; S81-C85 PolarHBondContact O-SG 2.96Å; S81-C85 VanDerWaalsContact O-SG 3.37Å
82	I	91.8	Very high	89	Confident	50 Å²	50	52 Å²	52	26%	0.256	28%	0.283	S	S	.	.	H	α-helix	trans	-66.1	-44.2	174.2	-71.1	164.8	0	0	0	110.1	L27 Q78 S79 N80 G84 C85 I86	L27-I82 HydrophobicContact CD1-CD1 4.27Å; L27-I82 HydrophobicContact CD1-CG1 4.05Å; L27-I82 HydrophobicContact CD2-CG1 4.33Å; Q78-I82 HydrophobicContact CB-CB 4.44Å; Q78-I82 HydrophobicContact CB-CD1 4.12Å; Q78-I82 HydrophobicContact CB-CG2 4.48Å; S79-I82 WeakPolarHBondContact O-CB 3.49Å; S79-I82 PolarHBondContact O-N 3.19Å; S79-I82 WeakPolarHBondContact OG-CD1 3.34Å; S79-I82 VanDerWaalsContact OG-CG1 3.31Å; S79-I82 WeakPolarHBondContact OG-CG1 3.42Å; S79-I82 PolarHBondContact OG-N 3.16Å; N80-I82 VanDerWaalsContact C-N 3.3Å; N80-I82 PolarHBondContact O-N 3.12Å; I82-G84 VanDerWaalsContact C-N 3.26Å; I82-G84 PolarHBondContact O-N 3.04Å; I82-C85 PolarHBondContact O-N 2.92Å; I82-I86 HydrophobicContact CG2-CD1 4.01Å; I82-I86 WeakPolarHBondContact O-CG1 3.5Å; I82-I86 PolarHBondContact O-N 3.11Å
83	F	91.2	Very high	89.6	Confident	59 Å²	59	52.7 Å²	52.7	26%	0.259	28%	0.282	S	S	.	.	H	α-helix	trans	-60.4	-38.5	173.3	-65.7	-65.3	0	0	0	111.7	F63 L76 Q78 N80 I86 F87	F63-F83 AromaticContact CE2-CD2 3.79Å; F63-F83 HydrophobicContact CE2-CD2 3.79Å; F63-F83 HydrophobicContact CE2-CE2 4.27Å; F63-F83 HydrophobicContact CE2-CG 4.25Å; F63-F83 HydrophobicContact CZ-CB 4.49Å; F63-F83 HydrophobicContact CZ-CD2 4.45Å; L76-F83 VanDerWaalsContact O-CZ 3.27Å; L76-F83 WeakPolarHBondContact O-CZ 3.45Å; Q78-F83 HydrophobicContact CB-CE2 4.17Å; Q78-F83 HydrophobicContact CB-CZ 4.32Å; N80-F83 WeakPolarHBondContact O-CB 3.34Å; N80-F83 PolarHBondContact O-N 3.05Å; F83-I86 PolarHBondContact O-N 2.9Å; F83-F87 VanDerWaalsContact O-CB 3.25Å; F83-F87 WeakPolarHBondContact O-CB 3.27Å; F83-F87 PolarHBondContact O-N 2.88Å
84	G	92.1	Very high	90.1	Very high	14 Å²	14	46.6 Å²	46.6	14%	0.144	25%	0.249	C	C	.	.	H	α-helix	trans	-58	-51.1	171.6	0	0	0	0	0	112.8	N80 S81 I82 I86 F87 Y88	N80-G84 PolarHBondContact O-N 3.28Å; S81-G84 PolarHBondContact O-N 3.49Å; I82-G84 VanDerWaalsContact C-N 3.26Å; I82-G84 PolarHBondContact O-N 3.04Å; G84-I86 VanDerWaalsContact C-N 3.33Å; G84-I86 PolarHBondContact O-N 3.36Å; G84-F87 PolarHBondContact O-N 2.87Å; G84-Y88 WeakPolarHBondContact O-CD2 3.22Å; G84-Y88 PolarHBondContact O-N 2.97Å
85	C	92.6	Very high	90.3	Very high	20 Å²	20	45.2 Å²	45.2	14%	0.135	24%	0.24	C	C	.	.	H	α-helix	trans	-56.5	-46.3	177.6	-70.2	0	0	0	0	112.2	L20 S23 S81 I82 T89	L20-C85 HydrophobicContact CD1-CB 3.99Å; S23-C85 WeakPolarHBondContact CB-SG 3.3Å; S81-C85 PolarHBondContact O-N 2.89Å; S81-C85 PolarHBondContact O-SG 2.96Å; S81-C85 VanDerWaalsContact O-SG 3.37Å; I82-C85 PolarHBondContact O-N 2.92Å; C85-T89 VanDerWaalsContact O-CB 3.31Å; C85-T89 WeakPolarHBondContact O-CB 3.37Å; C85-T89 PolarHBondContact O-N 3.42Å; C85-T89 VanDerWaalsContact O-N 3.11Å; C85-T89 PolarHBondContact O-OG1 3.45Å
86	I	93.5	Very high	90.4	Very high	88 Å²	88	39 Å²	39	45%	0.451	21%	0.209	S	C	.	.	H	α-helix	trans	-62.8	-47.4	177.6	-65.4	167.5	0	0	0	109.9	I82 F83 G84 T89 L90	I82-I86 HydrophobicContact CG2-CD1 4.01Å; I82-I86 WeakPolarHBondContact O-CG1 3.5Å; I82-I86 PolarHBondContact O-N 3.11Å; F83-I86 PolarHBondContact O-N 2.9Å; G84-I86 VanDerWaalsContact C-N 3.33Å; G84-I86 PolarHBondContact O-N 3.36Å; I86-T89 PolarHBondContact O-N 3.47Å; I86-L90 HydrophobicContact CG2-CD1 3.66Å; I86-L90 HydrophobicContact CG2-CG 4.24Å; I86-L90 WeakPolarHBondContact O-CB 3.33Å; I86-L90 VanDerWaalsContact O-CG 3.28Å; I86-L90 WeakPolarHBondContact O-CG 3.31Å; I86-L90 PolarHBondContact O-N 3.03Å
87	F	94.4	Very high	90.8	Very high	27 Å²	27	36.6 Å²	36.6	12%	0.118	20%	0.197	C	C	.	.	H	α-helix	trans	-58.5	-52	-179.9	170.7	-107.1	0	0	0	112.5	F83 G84 T89 L90 Q91 S109 S113 N142 L145	F83-F87 VanDerWaalsContact O-CB 3.25Å; F83-F87 WeakPolarHBondContact O-CB 3.27Å; F83-F87 PolarHBondContact O-N 2.88Å; G84-F87 PolarHBondContact O-N 2.87Å; F87-T89 VanDerWaalsContact C-N 3.33Å; F87-T89 PolarHBondContact O-N 2.97Å; F87-L90 PolarHBondContact O-N 3.37Å; F87-Q91 HydrophobicContact CD2-CG 4.21Å; F87-Q91 HydrophobicContact CE1-CG 4.25Å; F87-Q91 HydrophobicContact CE2-CG 3.68Å; F87-Q91 HydrophobicContact CZ-CG 3.71Å; F87-Q91 VanDerWaalsContact O-CB 3.31Å; F87-Q91 WeakPolarHBondContact O-CB 3.34Å; F87-Q91 PolarHBondContact O-N 2.82Å; F87-S109 WeakPolarHBondContact CE2-O 3.02Å; F87-S113 WeakPolarHBondContact CE1-OG 3.04Å; F87-N142 WeakPolarHBondContact CE1-OD1 3.29Å; F87-L145 HydrophobicContact CE1-CD1 3.84Å; F87-L145 HydrophobicContact CZ-CD1 4.22Å
88	Y	94.4	Very high	90.6	Very high	3 Å²	3	43.5 Å²	43.5	1%	0.012	22%	0.222	C	C	.	.	H	α-helix	trans	-66.4	-36.1	-178.2	-67	-56.8	0	0	0	112.6	G19 S23 G84 L92 T138 I141 N142 L145	G19-Y88 VanDerWaalsContact CA-CE2 3.44Å; G19-Y88 WeakPolarHBondContact O-CD2 3.47Å; G19-Y88 VanDerWaalsContact O-CE2 3.29Å; G19-Y88 WeakPolarHBondContact O-CE2 3.36Å; S23-Y88 WeakPolarHBondContact OG-CE2 3.28Å; G84-Y88 WeakPolarHBondContact O-CD2 3.22Å; G84-Y88 PolarHBondContact O-N 2.97Å; Y88-L92 WeakPolarHBondContact O-CB 3.47Å; Y88-L92 PolarHBondContact O-N 2.84Å; Y88-T138 HydrophobicContact CE2-CG2 4.49Å; Y88-T138 WeakPolarHBondContact OH-CG2 3.36Å; Y88-I141 HydrophobicContact CE1-CG2 3.72Å; Y88-N142 WeakPolarHBondContact CE1-OD1 3.25Å; Y88-N142 PolarHBondContact OH-OD1 2.75Å; Y88-L145 HydrophobicContact CD1-CD1 3.76Å; Y88-L145 HydrophobicContact CE1-CD1 3.63Å
89	T	93.6	Very high	90.4	Very high	60 Å²	60	42.3 Å²	42.3	37%	0.368	22%	0.22	S	C	.	.	H	α-helix	trans	-65.2	-48.7	175	-55.4	0	0	0	0	110.8	C85 I86 F87 Q91 L92 L93	C85-T89 VanDerWaalsContact O-CB 3.31Å; C85-T89 WeakPolarHBondContact O-CB 3.37Å; C85-T89 PolarHBondContact O-N 3.42Å; C85-T89 VanDerWaalsContact O-N 3.11Å; C85-T89 PolarHBondContact O-OG1 3.45Å; I86-T89 PolarHBondContact O-N 3.47Å; F87-T89 VanDerWaalsContact C-N 3.33Å; F87-T89 PolarHBondContact O-N 2.97Å; T89-Q91 PolarHBondContact O-N 2.91Å; T89-L92 PolarHBondContact O-N 3.37Å; T89-L93 HydrophobicContact CG2-CD1 4.11Å; T89-L93 WeakPolarHBondContact O-CG 3.03Å; T89-L93 PolarHBondContact O-N 2.71Å
90	L	92.5	Very high	90.1	Very high	88 Å²	88	51.4 Å²	51.4	46%	0.461	25%	0.253	S	S	.	.	H	α-helix	trans	-63.3	-41.1	177.5	-72.5	175.6	0	0	0	112	I86 F87 L92 L93 L94	I86-L90 HydrophobicContact CG2-CD1 3.66Å; I86-L90 HydrophobicContact CG2-CG 4.24Å; I86-L90 WeakPolarHBondContact O-CB 3.33Å; I86-L90 VanDerWaalsContact O-CG 3.28Å; I86-L90 WeakPolarHBondContact O-CG 3.31Å; I86-L90 PolarHBondContact O-N 3.03Å; F87-L90 PolarHBondContact O-N 3.37Å; L90-L92 VanDerWaalsContact C-N 3.27Å; L90-L92 PolarHBondContact O-N 3.43Å; L90-L93 PolarHBondContact O-N 2.91Å; L90-L94 VanDerWaalsContact O-CB 3.25Å; L90-L94 WeakPolarHBondContact O-CB 3.16Å; L90-L94 VanDerWaalsContact O-CG 3.26Å; L90-L94 WeakPolarHBondContact O-CG 3.11Å; L90-L94 PolarHBondContact O-N 3.18Å
91	Q	92.6	Very high	90	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-58.3	-40	175	-95.1	-76.1	-25.7	0	0	112.4	R12 F87 T89 G95 L106 S110 L145	R12-Q91 VanDerWaalsContact CZ-OE1 3.22Å; R12-Q91 VanDerWaalsContact NE-OE1 3.08Å; F87-Q91 HydrophobicContact CD2-CG 4.21Å; F87-Q91 HydrophobicContact CE1-CG 4.25Å; F87-Q91 HydrophobicContact CE2-CG 3.68Å; F87-Q91 HydrophobicContact CZ-CG 3.71Å; F87-Q91 VanDerWaalsContact O-CB 3.31Å; F87-Q91 WeakPolarHBondContact O-CB 3.34Å; F87-Q91 PolarHBondContact O-N 2.82Å; T89-Q91 PolarHBondContact O-N 2.91Å; Q91-G95 WeakPolarHBondContact O-CA 3.38Å; Q91-G95 PolarHBondContact O-N 2.87Å; Q91-L106 HydrophobicContact CG-CD2 4.29Å; Q91-L106 PolarHBondContact NE2-O 3.47Å; Q91-L106 VanDerWaalsContact NE2-O 3.09Å; Q91-S110 PolarHBondContact NE2-OG 2Å; Q91-L145 HydrophobicContact CG-CD1 4.44Å
92	L	92.4	Very high	89.9	Confident	39 Å²	39	60.1 Å²	60.1	20%	0.204	28%	0.283	C	S	.	.	H	α-helix	trans	-69.2	-49.2	177.1	-172.7	61.1	0	0	0	111.4	P8 L13 C16 Y88 T89 L90 G95 C96	P8-L92 HydrophobicContact CB-CD1 4.19Å; P8-L92 HydrophobicContact CG-CD1 3.79Å; L13-L92 HydrophobicContact CD1-CD1 3.67Å; L13-L92 HydrophobicContact CD1-CD2 4.1Å; C16-L92 HydrophobicContact CB-CB 4.11Å; C16-L92 HydrophobicContact CB-CD1 4.34Å; Y88-L92 WeakPolarHBondContact O-CB 3.47Å; Y88-L92 PolarHBondContact O-N 2.84Å; T89-L92 PolarHBondContact O-N 3.37Å; L90-L92 VanDerWaalsContact C-N 3.27Å; L90-L92 PolarHBondContact O-N 3.43Å; L92-G95 WeakPolarHBondContact O-CA 3.22Å; L92-G95 PolarHBondContact O-N 3.35Å; L92-G95 VanDerWaalsContact O-N 3.09Å; L92-C96 PolarHBondContact O-N 3.02Å; L92-C96 PolarHBondContact O-SG 2.98Å; L92-C96 VanDerWaalsContact O-SG 3.33Å
93	L	91.2	Very high	89.7	Confident	89 Å²	89	58 Å²	58	47%	0.466	27%	0.272	S	S	.	.	H	α-helix	trans	-61.5	-49.9	-179.9	-68.8	174.9	0	0	0	112.2	T89 L90 G95 C96	T89-L93 HydrophobicContact CG2-CD1 4.11Å; T89-L93 WeakPolarHBondContact O-CG 3.03Å; T89-L93 PolarHBondContact O-N 2.71Å; L90-L93 PolarHBondContact O-N 2.91Å; L93-G95 PolarHBondContact O-N 2.94Å; L93-C96 WeakPolarHBondContact O-CB 3.34Å; L93-C96 PolarHBondContact O-N 2.06Å; L93-C96 VanDerWaalsContact O-N 3.13Å
94	L	89.6	Confident	89.6	Confident	31 Å²	31	58.4 Å²	58.4	16%	0.162	28%	0.28	C	S	.	.	H	α-helix	trans	-66.1	-26.4	175.2	-66.1	175.4	0	0	0	111.6	L90 C96 L97 A102 L105 L106	L90-L94 VanDerWaalsContact O-CB 3.25Å; L90-L94 WeakPolarHBondContact O-CB 3.16Å; L90-L94 VanDerWaalsContact O-CG 3.26Å; L90-L94 WeakPolarHBondContact O-CG 3.11Å; L90-L94 PolarHBondContact O-N 3.18Å; L94-C96 VanDerWaalsContact C-N 3.27Å; L94-C96 PolarHBondContact O-N 3.16Å; L94-L97 HydrophobicContact CD2-CD1 4.02Å; L94-L97 PolarHBondContact O-N 3.12Å; L94-A102 HydrophobicContact CD2-CB 4.26Å; L94-L105 HydrophobicContact CD1-CB 3.96Å; L94-L105 HydrophobicContact CD2-CD1 4.48Å; L94-L106 HydrophobicContact CB-CD1 4.15Å; L94-L106 HydrophobicContact CB-CD2 3.45Å; L94-L106 VanDerWaalsContact CB-CD2 3.45Å; L94-L106 HydrophobicContact CB-CG 3.65Å; L94-L106 HydrophobicContact CD1-CD2 4.13Å; L94-L106 HydrophobicContact CD1-CG 4.28Å; L94-L106 HydrophobicContact CG-CD2 4.45Å
95	G	87.1	Confident	89.5	Confident	4 Å²	4	62.1 Å²	62.1	4%	0.041	30%	0.296	C	S	.	.	H	α-helix	trans	-59	-38.3	171.7	0	0	0	0	0	112.8	Q91 L92 L93 L97 K152	Q91-G95 WeakPolarHBondContact O-CA 3.38Å; Q91-G95 PolarHBondContact O-N 2.87Å; L92-G95 WeakPolarHBondContact O-CA 3.22Å; L92-G95 PolarHBondContact O-N 3.35Å; L92-G95 VanDerWaalsContact O-N 3.09Å; L93-G95 PolarHBondContact O-N 2.94Å; G95-L97 VanDerWaalsContact C-N 3.28Å; G95-L97 PolarHBondContact O-N 3.39Å; G95-K152 PolarHBondContact O-NZ 3.16Å
96	C	87.8	Confident	89.5	Confident	19 Å²	19	61.2 Å²	61.2	13%	0.128	29%	0.29	C	S	.	.	H	α-helix	trans	-70.2	-23.6	177.3	-57.7	0	0	0	0	113.1	W5 G6 L92 L93 L94	W5-C96 CarbonylContact C-O 3.52Å; W5-C96 WeakPolarHBondContact CA-O 3.31Å; W5-C96 HydrophobicContact CD2-CB 4.44Å; W5-C96 HydrophobicContact CE3-CB 3.96Å; W5-C96 HydrophobicContact CZ3-CB 4.19Å; G6-C96 PolarHBondContact N-O 3.23Å; G6-C96 VanDerWaalsContact O-CA 3.31Å; G6-C96 WeakPolarHBondContact O-CA 3.35Å; L92-C96 PolarHBondContact O-N 3.02Å; L92-C96 PolarHBondContact O-SG 2.98Å; L92-C96 VanDerWaalsContact O-SG 3.33Å; L93-C96 WeakPolarHBondContact O-CB 3.34Å; L93-C96 PolarHBondContact O-N 2.06Å; L93-C96 VanDerWaalsContact O-N 3.13Å; L94-C96 VanDerWaalsContact C-N 3.27Å; L94-C96 PolarHBondContact O-N 3.16Å
97	L	87.4	Confident	89.4	Confident	41 Å²	41	58.7 Å²	58.7	22%	0.215	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-80.6	135.3	-179.1	-57.4	-177.4	0	0	0	111.7	W5 L94 G95 A102 K152	W5-L97 HydrophobicContact CD2-CD2 4.2Å; W5-L97 VanDerWaalsContact CE2-CD2 3.49Å; W5-L97 HydrophobicContact CG-CD2 4.25Å; W5-L97 HydrophobicContact CZ2-CD2 3.96Å; L94-L97 HydrophobicContact CD2-CD1 4.02Å; L94-L97 PolarHBondContact O-N 3.12Å; G95-L97 VanDerWaalsContact C-N 3.28Å; G95-L97 PolarHBondContact O-N 3.39Å; L97-A102 HydrophobicContact CB-CB 3.66Å; L97-A102 HydrophobicContact CD1-CB 4.12Å; L97-K152 PolarHBondContact O-NZ 3.09Å
98	R	82.2	Confident	89.3	Confident	157 Å²	157	61.9 Å²	61.9	59%	0.592	30%	0.295	S	S	*	.			trans	-101.8	39	174.6	-76.4	-177.8	151.6	173.6	-5.1	112.8	T4 Q157	T4-R98 PolarHBondContact O-N 2.92Å; R98-Q157 PolarHBondContact O-OE1 3.44Å
99	T	84.1	Confident	89.2	Confident	55 Å²	55	63.4 Å²	63.4	34%	0.337	31%	0.306	S	S	.	.			trans	-107.4	150.9	178.7	62.8	0	0	0	0	111.5	W101 A102 S103	T99-W101 VanDerWaalsContact C-N 3.34Å; T99-W101 PolarHBondContact O-N 2.75Å; T99-A102 PolarHBondContact O-N 3.02Å; T99-A102 WeakPolarHBondContact OG1-CB 3.42Å; T99-A102 PolarHBondContact OG1-N 2.71Å; T99-S103 PolarHBondContact O-N 2.92Å; T99-S103 PolarHBondContact O-OG 2.86Å
100	R	83.6	Confident	89.1	Confident	199 Å²	199	60.6 Å²	60.6	75%	0.751	29%	0.289	S	S	*	.	H	α-helix	trans	-62	-42.9	177.2	-168.8	172.3	-176.9	165.8	-0.1	111.5	A102 S103 V104	R100-A102 PolarHBondContact O-N 2.87Å; R100-S103 WeakPolarHBondContact O-CB 3.29Å; R100-S103 PolarHBondContact O-N 3.43Å; R100-S103 VanDerWaalsContact O-N 3.15Å; R100-V104 WeakPolarHBondContact O-CG2 3.07Å; R100-V104 PolarHBondContact O-N 3.49Å
101	W	86.6	Confident	89.2	Confident	217 Å²	217	60.6 Å²	60.6	82%	0.822	29%	0.289	S	S	*	.	H	α-helix	trans	-59	-43.4	175.7	-63.1	92.2	0	0	0	112.5	T99 S103 V104 L105	T99-W101 VanDerWaalsContact C-N 3.34Å; T99-W101 PolarHBondContact O-N 2.75Å; W101-S103 VanDerWaalsContact C-N 3.3Å; W101-S103 PolarHBondContact O-N 3.29Å; W101-V104 PolarHBondContact O-N 3.44Å; W101-L105 WeakPolarHBondContact O-CG 3.39Å; W101-L105 PolarHBondContact O-N 2.85Å
102	A	88.4	Confident	89.2	Confident	2 Å²	2	65.7 Å²	65.7	2%	0.017	32%	0.32	C	S	.	.	H	α-helix	trans	-61.4	-40	175.5	0	0	0	0	0	111.9	L94 L97 T99 R100 V104 L105 L106	L94-A102 HydrophobicContact CD2-CB 4.26Å; L97-A102 HydrophobicContact CB-CB 3.66Å; L97-A102 HydrophobicContact CD1-CB 4.12Å; T99-A102 PolarHBondContact O-N 3.02Å; T99-A102 WeakPolarHBondContact OG1-CB 3.42Å; T99-A102 PolarHBondContact OG1-N 2.71Å; R100-A102 PolarHBondContact O-N 2.87Å; A102-V104 PolarHBondContact O-N 3.44Å; A102-L105 PolarHBondContact O-N 3.12Å; A102-L106 WeakPolarHBondContact O-CB 3.23Å; A102-L106 WeakPolarHBondContact O-CD1 3.37Å; A102-L106 WeakPolarHBondContact O-CG 3.44Å; A102-L106 PolarHBondContact O-N 3Å
103	S	86.5	Confident	89.2	Confident	5 Å²	5	64.9 Å²	64.9	4%	0.035	32%	0.317	C	S	.	.	H	α-helix	trans	-65.4	-38.6	178.3	-54.5	0	0	0	0	112.3	T99 R100 W101 L107	T99-S103 PolarHBondContact O-N 2.92Å; T99-S103 PolarHBondContact O-OG 2.86Å; R100-S103 WeakPolarHBondContact O-CB 3.29Å; R100-S103 PolarHBondContact O-N 3.43Å; R100-S103 VanDerWaalsContact O-N 3.15Å; W101-S103 VanDerWaalsContact C-N 3.3Å; W101-S103 PolarHBondContact O-N 3.29Å; S103-L107 PolarHBondContact O-N 3.16Å; S103-L107 VanDerWaalsContact O-N 3.12Å
104	V	88.8	Confident	89.4	Confident	68 Å²	68	63.2 Å²	63.2	41%	0.412	31%	0.309	S	S	.	.	H	α-helix	trans	-65.6	-47.4	173.7	174.9	0	0	0	0	111	R100 W101 A102 L106 L107 L108	R100-V104 WeakPolarHBondContact O-CG2 3.07Å; R100-V104 PolarHBondContact O-N 3.49Å; W101-V104 PolarHBondContact O-N 3.44Å; A102-V104 PolarHBondContact O-N 3.44Å; V104-L106 VanDerWaalsContact C-N 3.31Å; V104-L106 PolarHBondContact O-N 3.06Å; V104-L107 PolarHBondContact O-N 3.4Å; V104-L107 VanDerWaalsContact O-N 3.16Å; V104-L108 HydrophobicContact CG1-CD1 3.9Å; V104-L108 HydrophobicContact CG1-CG 4.27Å; V104-L108 WeakPolarHBondContact O-CG 2.89Å; V104-L108 PolarHBondContact O-N 3.49Å
105	L	91.1	Very high	89.6	Confident	92 Å²	92	64.8 Å²	64.8	48%	0.482	33%	0.326	S	S	.	.	H	α-helix	trans	-61.5	-38.5	177.9	-70.7	175.2	0	0	0	112.5	L94 W101 A102 S109	L94-L105 HydrophobicContact CD1-CB 3.96Å; L94-L105 HydrophobicContact CD2-CD1 4.48Å; W101-L105 WeakPolarHBondContact O-CG 3.39Å; W101-L105 PolarHBondContact O-N 2.85Å; A102-L105 PolarHBondContact O-N 3.12Å; L105-S109 VanDerWaalsContact O-CB 3.29Å; L105-S109 WeakPolarHBondContact O-CB 3.49Å; L105-S109 PolarHBondContact O-N 3.35Å; L105-S109 PolarHBondContact O-OG 3.3Å
106	L	91.1	Very high	89.8	Confident	1 Å²	1	65.4 Å²	65.4	1%	0.005	33%	0.332	C	S	.	.	H	α-helix	trans	-61	-43.6	173.9	-76.2	168.7	0	0	0	112	R12 Q91 L94 A102 V104 S109 S110 K152	R12-L106 VanDerWaalsContact NH1-CD1 3.32Å; Q91-L106 HydrophobicContact CG-CD2 4.29Å; Q91-L106 PolarHBondContact NE2-O 3.47Å; Q91-L106 VanDerWaalsContact NE2-O 3.09Å; L94-L106 HydrophobicContact CB-CD1 4.15Å; L94-L106 HydrophobicContact CB-CD2 3.45Å; L94-L106 VanDerWaalsContact CB-CD2 3.45Å; L94-L106 HydrophobicContact CB-CG 3.65Å; L94-L106 HydrophobicContact CD1-CD2 4.13Å; L94-L106 HydrophobicContact CD1-CG 4.28Å; L94-L106 HydrophobicContact CG-CD2 4.45Å; A102-L106 WeakPolarHBondContact O-CB 3.23Å; A102-L106 WeakPolarHBondContact O-CD1 3.37Å; A102-L106 WeakPolarHBondContact O-CG 3.44Å; A102-L106 PolarHBondContact O-N 3Å; V104-L106 VanDerWaalsContact C-N 3.31Å; V104-L106 PolarHBondContact O-N 3.06Å; L106-S109 WeakPolarHBondContact CA-OG 3.14Å; L106-S109 PolarHBondContact O-OG 2.81Å; L106-S110 WeakPolarHBondContact O-CB 3.14Å; L106-S110 PolarHBondContact O-N 2.94Å; L106-S110 PolarHBondContact O-OG 3.19Å; L106-K152 HydrophobicContact CD1-CD 4.18Å
107	L	91.7	Very high	90	Very high	36 Å²	36	64.9 Å²	64.9	19%	0.188	33%	0.329	C	S	.	.	H	α-helix	trans	-67.3	-48.9	178.6	-176.9	64.9	0	0	0	111.2	S103 V104 S109 S110 L111 M146 F150 V153	S103-L107 PolarHBondContact O-N 3.16Å; S103-L107 VanDerWaalsContact O-N 3.12Å; V104-L107 PolarHBondContact O-N 3.4Å; V104-L107 VanDerWaalsContact O-N 3.16Å; L107-S109 PolarHBondContact O-N 3.38Å; L107-S110 PolarHBondContact O-N 2.94Å; L107-L111 HydrophobicContact CG-CD1 4.29Å; L107-L111 WeakPolarHBondContact O-CG 3.38Å; L107-L111 PolarHBondContact O-N 3.26Å; L107-M146 HydrophobicContact CD1-SD 3.88Å; L107-F150 HydrophobicContact CD1-CB 4.47Å; L107-F150 HydrophobicContact CD1-CD2 4.39Å; L107-V153 HydrophobicContact CB-CG2 4.23Å; L107-V153 HydrophobicContact CD2-CG2 4.21Å
108	L	93.1	Very high	90.3	Very high	93 Å²	93	67.5 Å²	67.5	49%	0.487	35%	0.346	S	S	.	.	H	α-helix	trans	-60.5	-47.1	179.6	-68.6	177	0	0	0	111.8	V104 S110 L111 V112	V104-L108 HydrophobicContact CG1-CD1 3.9Å; V104-L108 HydrophobicContact CG1-CG 4.27Å; V104-L108 WeakPolarHBondContact O-CG 2.89Å; V104-L108 PolarHBondContact O-N 3.49Å; L108-S110 VanDerWaalsContact C-N 3.3Å; L108-S110 PolarHBondContact O-N 3.41Å; L108-L111 HydrophobicContact CD2-CD1 4.49Å; L108-L111 WeakPolarHBondContact O-CB 3.31Å; L108-L111 PolarHBondContact O-N 2.96Å; L108-L111 VanDerWaalsContact O-N 3.16Å; L108-V112 WeakPolarHBondContact O-CG2 3.45Å; L108-V112 PolarHBondContact O-N 3.4Å
109	S	92.3	Very high	90.8	Very high	36 Å²	36	63.5 Å²	63.5	25%	0.252	33%	0.332	S	S	.	.	H	α-helix	trans	-61.8	-38.4	175.9	56.9	0	0	0	0	112.2	F87 L105 L106 L107 L111 S113	F87-S109 WeakPolarHBondContact CE2-O 3.02Å; L105-S109 VanDerWaalsContact O-CB 3.29Å; L105-S109 WeakPolarHBondContact O-CB 3.49Å; L105-S109 PolarHBondContact O-N 3.35Å; L105-S109 PolarHBondContact O-OG 3.3Å; L106-S109 WeakPolarHBondContact CA-OG 3.14Å; L106-S109 PolarHBondContact O-OG 2.81Å; L107-S109 PolarHBondContact O-N 3.38Å; S109-L111 VanDerWaalsContact C-N 3.35Å; S109-S113 WeakPolarHBondContact O-CB 3.31Å; S109-S113 PolarHBondContact O-N 3.39Å
110	S	92.2	Very high	91.1	Very high	1 Å²	1	62.1 Å²	62.1	1%	0.007	32%	0.322	C	S	.	.	H	α-helix	trans	-65.7	-37.2	175.1	-56	0	0	0	0	111.9	Q91 L106 L107 L108 S113 L114 M146 S149	Q91-S110 PolarHBondContact NE2-OG 2Å; L106-S110 WeakPolarHBondContact O-CB 3.14Å; L106-S110 PolarHBondContact O-N 2.94Å; L106-S110 PolarHBondContact O-OG 3.19Å; L107-S110 PolarHBondContact O-N 2.94Å; L108-S110 VanDerWaalsContact C-N 3.3Å; L108-S110 PolarHBondContact O-N 3.41Å; S110-S113 PolarHBondContact O-N 2.61Å; S110-L114 WeakPolarHBondContact O-CB 3.33Å; S110-L114 PolarHBondContact O-N 2.94Å; S110-M146 VanDerWaalsContact O-CE 3.31Å; S110-M146 WeakPolarHBondContact O-CE 3.45Å; S110-S149 PolarHBondContact OG-OG 2.91Å
111	L	93.4	Very high	91.5	Very high	87 Å²	87	53.6 Å²	53.6	46%	0.455	29%	0.294	S	S	.	.	H	α-helix	trans	-64.6	-45.7	178.4	-77	167.7	0	0	0	111	L107 L108 S109 S113 L114 A115 M146	L107-L111 HydrophobicContact CG-CD1 4.29Å; L107-L111 WeakPolarHBondContact O-CG 3.38Å; L107-L111 PolarHBondContact O-N 3.26Å; L108-L111 HydrophobicContact CD2-CD1 4.49Å; L108-L111 WeakPolarHBondContact O-CB 3.31Å; L108-L111 PolarHBondContact O-N 2.96Å; L108-L111 VanDerWaalsContact O-N 3.16Å; S109-L111 VanDerWaalsContact C-N 3.35Å; L111-S113 VanDerWaalsContact C-N 3.33Å; L111-S113 PolarHBondContact O-N 2.73Å; L111-L114 PolarHBondContact O-N 3.5Å; L111-A115 PolarHBondContact O-N 3.48Å; L111-M146 HydrophobicContact CB-CE 4.05Å; L111-M146 HydrophobicContact CD2-CE 3.45Å; L111-M146 VanDerWaalsContact CD2-CE 3.45Å; L111-M146 HydrophobicContact CD2-SD 4.26Å; L111-M146 HydrophobicContact CG-CE 3.63Å; L111-M146 HydrophobicContact CG-SD 4.42Å; L111-M146 VanDerWaalsContact N-CE 3.25Å
112	V	93.6	Very high	91.7	Very high	108 Å²	108	50.6 Å²	50.6	66%	0.655	28%	0.283	S	S	*	.	H	α-helix	trans	-60.3	-45.9	174.7	175	0	0	0	0	110.7	L108 L114 A115 G116	L108-V112 WeakPolarHBondContact O-CG2 3.45Å; L108-V112 PolarHBondContact O-N 3.4Å; V112-L114 VanDerWaalsContact C-N 3.33Å; V112-L114 PolarHBondContact O-N 3.39Å; V112-A115 PolarHBondContact O-N 3.22Å; V112-G116 PolarHBondContact O-N 3.22Å
113	S	92.4	Very high	91.8	Very high	21 Å²	21	51.3 Å²	51.3	15%	0.147	29%	0.286	C	S	.	.	H	α-helix	trans	-61.6	-39.7	177.8	-175.7	0	0	0	0	112.5	F87 S109 S110 L111 G116 S117 N142	F87-S113 WeakPolarHBondContact CE1-OG 3.04Å; S109-S113 WeakPolarHBondContact O-CB 3.31Å; S109-S113 PolarHBondContact O-N 3.39Å; S110-S113 PolarHBondContact O-N 2.61Å; L111-S113 VanDerWaalsContact C-N 3.33Å; L111-S113 PolarHBondContact O-N 2.73Å; S113-G116 PolarHBondContact O-N 3.35Å; S113-S117 WeakPolarHBondContact O-CB 3.45Å; S113-S117 PolarHBondContact O-N 3.45Å; S113-S117 PolarHBondContact O-OG 3.06Å; S113-N142 PolarHBondContact OG-ND2 3.13Å; S113-N142 VanDerWaalsContact OG-ND2 3.09Å; S113-N142 PolarHBondContact OG-OD1 3.29Å
114	L	93.9	Very high	91.9	Very high	55 Å²	55	51.2 Å²	51.2	29%	0.288	29%	0.285	S	S	.	.	H	α-helix	trans	-67.3	-46	177.2	-173.3	66.9	0	0	0	111.8	S110 L111 V112 G116 S117 V118 V143 M146	S110-L114 WeakPolarHBondContact O-CB 3.33Å; S110-L114 PolarHBondContact O-N 2.94Å; L111-L114 PolarHBondContact O-N 3.5Å; V112-L114 VanDerWaalsContact C-N 3.33Å; V112-L114 PolarHBondContact O-N 3.39Å; L114-G116 VanDerWaalsContact C-N 3.32Å; L114-G116 PolarHBondContact O-N 2.98Å; L114-S117 WeakPolarHBondContact O-CB 3.29Å; L114-S117 PolarHBondContact O-N 3.26Å; L114-S117 VanDerWaalsContact O-N 3.12Å; L114-V118 WeakPolarHBondContact O-CG2 3.42Å; L114-V118 PolarHBondContact O-N 3.31Å; L114-V143 HydrophobicContact CD1-CG2 3.65Å; L114-M146 HydrophobicContact CB-CE 4.05Å; L114-M146 HydrophobicContact CD2-CE 3.96Å; L114-M146 HydrophobicContact CD2-CG 4.42Å
115	A	93.7	Very high	91.9	Very high	64 Å²	64	52 Å²	52	53%	0.529	28%	0.283	S	S	.	.	H	α-helix	trans	-58.9	-45.3	175.6	0	0	0	0	0	111.3	L111 V112 S117 V118 Y119	L111-A115 PolarHBondContact O-N 3.48Å; V112-A115 PolarHBondContact O-N 3.22Å; A115-S117 VanDerWaalsContact C-N 3.32Å; A115-S117 PolarHBondContact O-N 2.91Å; A115-V118 PolarHBondContact O-N 3.23Å; A115-Y119 WeakPolarHBondContact O-CB 3.22Å; A115-Y119 PolarHBondContact O-N 3.49Å
116	G	91.8	Very high	91.9	Very high	17 Å²	17	53 Å²	53	18%	0.175	28%	0.284	C	S	.	.	H	α-helix	trans	-61.6	-38.4	173.9	0	0	0	0	0	112.9	V112 S113 L114 Y119 L120	V112-G116 PolarHBondContact O-N 3.22Å; S113-G116 PolarHBondContact O-N 3.35Å; L114-G116 VanDerWaalsContact C-N 3.32Å; L114-G116 PolarHBondContact O-N 2.98Å; G116-Y119 PolarHBondContact O-N 3.4Å; G116-L120 WeakPolarHBondContact O-CB 3.41Å; G116-L120 WeakPolarHBondContact O-CG 3.31Å; G116-L120 PolarHBondContact O-N 3.47Å
117	S	92.7	Very high	91.8	Very high	8 Å²	8	56 Å²	56	6%	0.056	30%	0.302	C	S	.	.	H	α-helix	trans	-65.9	-43.4	177.5	-59.1	0	0	0	0	112.1	S113 L114 A115 L120 A121 Y139 N142	S113-S117 WeakPolarHBondContact O-CB 3.45Å; S113-S117 PolarHBondContact O-N 3.45Å; S113-S117 PolarHBondContact O-OG 3.06Å; L114-S117 WeakPolarHBondContact O-CB 3.29Å; L114-S117 PolarHBondContact O-N 3.26Å; L114-S117 VanDerWaalsContact O-N 3.12Å; A115-S117 VanDerWaalsContact C-N 3.32Å; A115-S117 PolarHBondContact O-N 2.91Å; S117-L120 PolarHBondContact O-N 2.64Å; S117-A121 VanDerWaalsContact O-CB 3.23Å; S117-A121 WeakPolarHBondContact O-CB 3.39Å; S117-A121 PolarHBondContact O-N 3.14Å; S117-Y139 VanDerWaalsContact CB-CD1 3.48Å; S117-N142 PolarHBondContact OG-ND2 3.32Å
118	V	93.8	Very high	91.5	Very high	95 Å²	95	55.6 Å²	55.6	58%	0.576	30%	0.3	S	S	*	.	H	α-helix	trans	-63.5	-44.3	175.9	175	0	0	0	0	110.7	L114 A115 A121 W122	L114-V118 WeakPolarHBondContact O-CG2 3.42Å; L114-V118 PolarHBondContact O-N 3.31Å; A115-V118 PolarHBondContact O-N 3.23Å; V118-A121 PolarHBondContact O-N 2.89Å; V118-W122 PolarHBondContact O-N 3.48Å
119	Y	92.6	Very high	91.1	Very high	73 Å²	73	59.1 Å²	59.1	29%	0.286	31%	0.308	S	S	.	.	H	α-helix	trans	-59.5	-49.8	176.1	172.8	-101.2	0	0	0	112	F63 L65 A115 G116 A121 W122 I123	F63-Y119 HydrophobicContact CB-CE1 4.38Å; F63-Y119 VanDerWaalsContact O-CE1 3.32Å; F63-Y119 WeakPolarHBondContact O-CE1 3.32Å; L65-Y119 HydrophobicContact CD1-CE1 4.18Å; L65-Y119 HydrophobicContact CD1-CE2 4.48Å; L65-Y119 HydrophobicContact CG-CE1 4.43Å; A115-Y119 WeakPolarHBondContact O-CB 3.22Å; A115-Y119 PolarHBondContact O-N 3.49Å; G116-Y119 PolarHBondContact O-N 3.4Å; Y119-A121 VanDerWaalsContact C-N 3.33Å; Y119-A121 PolarHBondContact O-N 3.45Å; Y119-W122 WeakPolarHBondContact O-CB 3.45Å; Y119-W122 PolarHBondContact O-N 3.14Å; Y119-I123 HydrophobicContact CE1-CG1 4.15Å; Y119-I123 HydrophobicContact CE2-CD1 4.45Å; Y119-I123 HydrophobicContact CE2-CG1 4.28Å; Y119-I123 WeakPolarHBondContact O-CG1 3.25Å; Y119-I123 PolarHBondContact O-N 2.97Å; Y119-I123 VanDerWaalsContact O-N 3.07Å
120	L	89.4	Confident	90.8	Very high	27 Å²	27	57.4 Å²	57.4	14%	0.141	30%	0.296	C	S	.	.	H	α-helix	trans	-67.8	-33.2	179.2	-68.6	176.7	0	0	0	112.4	F63 G116 S117 I123 L124 Y139	F63-L120 HydrophobicContact CD1-CD1 3.82Å; F63-L120 HydrophobicContact CD1-CD2 4.09Å; F63-L120 HydrophobicContact CD1-CG 4Å; F63-L120 HydrophobicContact CE1-CD1 3.8Å; F63-L120 HydrophobicContact CE1-CG 4.42Å; G116-L120 WeakPolarHBondContact O-CB 3.41Å; G116-L120 WeakPolarHBondContact O-CG 3.31Å; G116-L120 PolarHBondContact O-N 3.47Å; S117-L120 PolarHBondContact O-N 2.64Å; L120-I123 PolarHBondContact O-N 3.48Å; L120-L124 VanDerWaalsContact O-CB 3.29Å; L120-L124 WeakPolarHBondContact O-CB 3.34Å; L120-L124 PolarHBondContact O-N 2.7Å; L120-Y139 HydrophobicContact CB-CE1 4.23Å; L120-Y139 WeakPolarHBondContact CB-OH 3.48Å
121	A	91.7	Very high	90.4	Very high	19 Å²	19	62.8 Å²	62.8	16%	0.157	32%	0.32	C	S	.	.	H	α-helix	trans	-63.7	-42.7	172.7	0	0	0	0	0	111.6	S117 V118 Y119 I123 L124 F125 Y139	S117-A121 VanDerWaalsContact O-CB 3.23Å; S117-A121 WeakPolarHBondContact O-CB 3.39Å; S117-A121 PolarHBondContact O-N 3.14Å; V118-A121 PolarHBondContact O-N 2.89Å; Y119-A121 VanDerWaalsContact C-N 3.33Å; Y119-A121 PolarHBondContact O-N 3.45Å; A121-I123 PolarHBondContact O-N 3.2Å; A121-L124 WeakPolarHBondContact O-CB 3.44Å; A121-L124 PolarHBondContact O-N 2.72Å; A121-F125 WeakPolarHBondContact O-CD2 3.44Å; A121-F125 PolarHBondContact O-N 3.25Å; A121-F125 VanDerWaalsContact O-N 3.09Å; A121-Y139 HydrophobicContact CB-CD2 4.02Å; A121-Y139 HydrophobicContact CB-CE2 3.7Å
122	W	92.4	Very high	90.1	Very high	155 Å²	155	58.7 Å²	58.7	59%	0.587	30%	0.298	S	S	*	.	H	α-helix	trans	-57.8	-49.2	174.1	180	-84	0	0	0	111.5	V118 Y119 L124 F125 F126	V118-W122 PolarHBondContact O-N 3.48Å; Y119-W122 WeakPolarHBondContact O-CB 3.45Å; Y119-W122 PolarHBondContact O-N 3.14Å; W122-L124 VanDerWaalsContact C-N 3.28Å; W122-L124 PolarHBondContact O-N 3.31Å; W122-F125 PolarHBondContact O-N 3.08Å; W122-F126 AromaticContact CD2-CD2 3.56Å; W122-F126 HydrophobicContact CD2-CD2 3.56Å; W122-F126 AromaticContact CD2-CE2 3.96Å; W122-F126 HydrophobicContact CD2-CE2 3.96Å; W122-F126 HydrophobicContact CD2-CG 4.38Å; W122-F126 AromaticContact CE2-CD2 3.72Å; W122-F126 AromaticContact CE3-CD2 3.71Å; W122-F126 HydrophobicContact CE3-CD2 3.71Å; W122-F126 AromaticContact CE3-CE2 3.57Å; W122-F126 HydrophobicContact CE3-CE2 3.57Å; W122-F126 HydrophobicContact CG-CD2 4.06Å; W122-F126 HydrophobicContact CH2-CD2 4.16Å; W122-F126 AromaticContact CH2-CE2 3.95Å; W122-F126 HydrophobicContact CH2-CE2 3.95Å; W122-F126 HydrophobicContact CH2-CZ 4.2Å; W122-F126 HydrophobicContact CZ2-CD2 4.03Å; W122-F126 HydrophobicContact CZ2-CE2 4.29Å; W122-F126 HydrophobicContact CZ2-CG 4.21Å; W122-F126 HydrophobicContact CZ3-CD2 4.01Å; W122-F126 AromaticContact CZ3-CE2 3.57Å; W122-F126 HydrophobicContact CZ3-CE2 3.57Å; W122-F126 HydrophobicContact CZ3-CZ 4.1Å; W122-F126 WeakPolarHBondContact O-CB 3.27Å; W122-F126 WeakPolarHBondContact O-CD2 3.39Å; W122-F126 PolarHBondContact O-N 2.97Å
123	I	90.4	Very high	89.8	Confident	17 Å²	17	58 Å²	58	9%	0.087	29%	0.289	C	S	.	.	H	α-helix	trans	-58.3	-42.8	176.5	-68	-61.7	0	0	0	111.1	W59 Y119 L120 A121 F125 V127 L128	W59-I123 HydrophobicContact CB-CG2 4.07Å; W59-I123 HydrophobicContact CD2-CG2 3.64Å; W59-I123 HydrophobicContact CE3-CG2 4.09Å; W59-I123 HydrophobicContact CG-CG2 3.63Å; Y119-I123 HydrophobicContact CE1-CG1 4.15Å; Y119-I123 HydrophobicContact CE2-CD1 4.45Å; Y119-I123 HydrophobicContact CE2-CG1 4.28Å; Y119-I123 WeakPolarHBondContact O-CG1 3.25Å; Y119-I123 PolarHBondContact O-N 2.97Å; Y119-I123 VanDerWaalsContact O-N 3.07Å; L120-I123 PolarHBondContact O-N 3.48Å; A121-I123 PolarHBondContact O-N 3.2Å; I123-F125 PolarHBondContact O-N 3.28Å; I123-V127 HydrophobicContact CD1-CB 4.44Å; I123-V127 HydrophobicContact CD1-CG2 3.78Å; I123-V127 HydrophobicContact CG2-CB 4.35Å; I123-V127 WeakPolarHBondContact O-CA 3.31Å; I123-V127 VanDerWaalsContact O-CB 3.27Å; I123-V127 WeakPolarHBondContact O-CB 3.07Å; I123-V127 PolarHBondContact O-N 3.07Å; I123-L128 HydrophobicContact CG2-CD1 3.3Å; I123-L128 WeakPolarHBondContact O-CD1 3.15Å; I123-L128 PolarHBondContact O-N 2.69Å
124	L	88.6	Confident	89.7	Confident	3 Å²	3	57.6 Å²	57.6	2%	0.016	29%	0.286	C	S	.	.	I	π-helix	trans	-59.1	-46.7	-179.2	-163.4	117.1	0	0	0	112.7	V54 L120 A121 W122 Y129 D130 C132 C135	V54-L124 HydrophobicContact CG1-CD1 4.18Å; V54-L124 HydrophobicContact CG2-CD1 4.27Å; L120-L124 VanDerWaalsContact O-CB 3.29Å; L120-L124 WeakPolarHBondContact O-CB 3.34Å; L120-L124 PolarHBondContact O-N 2.7Å; A121-L124 WeakPolarHBondContact O-CB 3.44Å; A121-L124 PolarHBondContact O-N 2.72Å; W122-L124 VanDerWaalsContact C-N 3.28Å; W122-L124 PolarHBondContact O-N 3.31Å; L124-Y129 PolarHBondContact O-N 2.98Å; L124-Y129 VanDerWaalsContact O-N 3.08Å; L124-D130 WeakPolarHBondContact CD2-O 3.45Å; L124-D130 WeakPolarHBondContact CG-O 3.32Å; L124-D130 PolarHBondContact O-N 2.91Å; L124-C132 HydrophobicContact CD1-CB 3.51Å; L124-C135 HydrophobicContact CD1-CB 4.07Å
125	F	88.1	Confident	89.5	Confident	84 Å²	84	55.4 Å²	55.4	37%	0.368	28%	0.275	S	S	.	.	I	π-helix	trans	-83.5	-42.6	-176.7	-68.6	-62.1	0	0	0	113.9	A121 W122 I123 Y129 F131	A121-F125 WeakPolarHBondContact O-CD2 3.44Å; A121-F125 PolarHBondContact O-N 3.25Å; A121-F125 VanDerWaalsContact O-N 3.09Å; W122-F125 PolarHBondContact O-N 3.08Å; I123-F125 PolarHBondContact O-N 3.28Å; F125-Y129 WeakPolarHBondContact O-CD1 3.29Å; F125-F131 HydrophobicContact CD1-CE1 4.17Å; F125-F131 HydrophobicContact CD1-CZ 4.33Å; F125-F131 AromaticContact CE1-CD1 3.83Å; F125-F131 HydrophobicContact CE1-CD1 3.83Å; F125-F131 AromaticContact CE1-CE1 3.5Å; F125-F131 HydrophobicContact CE1-CE1 3.5Å; F125-F131 HydrophobicContact CE1-CZ 4.11Å
126	F	90.6	Very high	89.4	Confident	113 Å²	113	55.7 Å²	55.7	50%	0.496	27%	0.267	S	S	.	.	I	π-helix	trans	-95.9	-18.3	-171.3	-69.4	-79.9	0	0	0	114.1	W122 Y129	W122-F126 AromaticContact CD2-CD2 3.56Å; W122-F126 HydrophobicContact CD2-CD2 3.56Å; W122-F126 AromaticContact CD2-CE2 3.96Å; W122-F126 HydrophobicContact CD2-CE2 3.96Å; W122-F126 HydrophobicContact CD2-CG 4.38Å; W122-F126 AromaticContact CE2-CD2 3.72Å; W122-F126 AromaticContact CE3-CD2 3.71Å; W122-F126 HydrophobicContact CE3-CD2 3.71Å; W122-F126 AromaticContact CE3-CE2 3.57Å; W122-F126 HydrophobicContact CE3-CE2 3.57Å; W122-F126 HydrophobicContact CG-CD2 4.06Å; W122-F126 HydrophobicContact CH2-CD2 4.16Å; W122-F126 AromaticContact CH2-CE2 3.95Å; W122-F126 HydrophobicContact CH2-CE2 3.95Å; W122-F126 HydrophobicContact CH2-CZ 4.2Å; W122-F126 HydrophobicContact CZ2-CD2 4.03Å; W122-F126 HydrophobicContact CZ2-CE2 4.29Å; W122-F126 HydrophobicContact CZ2-CG 4.21Å; W122-F126 HydrophobicContact CZ3-CD2 4.01Å; W122-F126 AromaticContact CZ3-CE2 3.57Å; W122-F126 HydrophobicContact CZ3-CE2 3.57Å; W122-F126 HydrophobicContact CZ3-CZ 4.1Å; W122-F126 WeakPolarHBondContact O-CB 3.27Å; W122-F126 WeakPolarHBondContact O-CD2 3.39Å; W122-F126 PolarHBondContact O-N 2.97Å; F126-Y129 VanDerWaalsContact O-CE2 3.27Å; F126-Y129 WeakPolarHBondContact O-CE2 3.35Å; F126-Y129 PolarHBondContact O-OH 3.45Å
127	V	89.1	Confident	89.4	Confident	64 Å²	64	57.7 Å²	57.7	39%	0.388	28%	0.276	S	S	.	.	I	π-helix	trans	-115.7	-51.4	-174.3	-170.4	0	0	0	0	112.2	W59 I123	W59-V127 HydrophobicContact CH2-CG1 3.45Å; W59-V127 VanDerWaalsContact CH2-CG1 3.45Å; W59-V127 HydrophobicContact CZ2-CB 4.41Å; W59-V127 HydrophobicContact CZ2-CG1 3.35Å; W59-V127 HydrophobicContact CZ3-CG1 4.43Å; I123-V127 HydrophobicContact CD1-CB 4.44Å; I123-V127 HydrophobicContact CD1-CG2 3.78Å; I123-V127 HydrophobicContact CG2-CB 4.35Å; I123-V127 WeakPolarHBondContact O-CA 3.31Å; I123-V127 VanDerWaalsContact O-CB 3.27Å; I123-V127 WeakPolarHBondContact O-CB 3.07Å; I123-V127 PolarHBondContact O-N 3.07Å
128	L	85	Confident	89.5	Confident	28 Å²	28	58.5 Å²	58.5	15%	0.147	28%	0.281	C	S	.	.	I	π-helix	trans	-86	-24	-179.9	-74.5	72.8	0	0	0	113	V54 W59 I123 D130	V54-L128 HydrophobicContact CB-CD2 4.2Å; V54-L128 HydrophobicContact CG1-CD2 4.35Å; V54-L128 HydrophobicContact CG2-CD2 3.8Å; W59-L128 HydrophobicContact CD2-CD1 3.98Å; W59-L128 HydrophobicContact CE3-CD1 3.25Å; W59-L128 HydrophobicContact CE3-CD2 4.1Å; W59-L128 HydrophobicContact CE3-CG 3.97Å; W59-L128 HydrophobicContact CH2-CD1 3.75Å; W59-L128 HydrophobicContact CH2-CG 4.42Å; W59-L128 HydrophobicContact CZ2-CD1 4.4Å; W59-L128 HydrophobicContact CZ3-CD1 3.12Å; W59-L128 HydrophobicContact CZ3-CD2 4.12Å; W59-L128 HydrophobicContact CZ3-CG 3.6Å; I123-L128 HydrophobicContact CG2-CD1 3.3Å; I123-L128 WeakPolarHBondContact O-CD1 3.15Å; I123-L128 PolarHBondContact O-N 2.69Å; L128-D130 HydrophobicContact CB-CB 4.18Å; L128-D130 PolarHBondContact O-N 3.37Å
129	Y	86.1	Confident	89.5	Confident	166 Å²	166	55.7 Å²	55.7	65%	0.651	26%	0.26	S	S	*	.			trans	52.2	40.9	-172.9	-62.3	-90.3	0	0	0	112.2	L124 F125 F126	L124-Y129 PolarHBondContact O-N 2.98Å; L124-Y129 VanDerWaalsContact O-N 3.08Å; F125-Y129 WeakPolarHBondContact O-CD1 3.29Å; F126-Y129 VanDerWaalsContact O-CE2 3.27Å; F126-Y129 WeakPolarHBondContact O-CE2 3.35Å; F126-Y129 PolarHBondContact O-OH 3.45Å
130	D	85.1	Confident	89.6	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.005	27%	0.272	C	S	.	.			trans	-117.4	136.6	-178.3	-98.7	-56.7	0	0	0	110.5	S50 R53 V54 L124 L128 C132	S50-D130 PolarHBondContact N-OD1 3.37Å; R53-D130 IonicContact CZ-OD1 3.55Å; R53-D130 IonicContact CZ-OD2 3.23Å; R53-D130 VanDerWaalsContact CZ-OD2 3.23Å; R53-D130 IonicContact NE-OD1 3.59Å; R53-D130 IonicContact NE-OD2 2.69Å; R53-D130 PolarHBondContact NE-OD2 3.45Å; R53-D130 IonicContact NH2-OD1 2.7Å; R53-D130 PolarHBondContact NH2-OD1 3.21Å; R53-D130 IonicContact NH2-OD2 3.07Å; R53-D130 PolarHBondContact NH2-OD2 3.35Å; V54-D130 HydrophobicContact CG2-CB 3.68Å; L124-D130 WeakPolarHBondContact CD2-O 3.45Å; L124-D130 WeakPolarHBondContact CG-O 3.32Å; L124-D130 PolarHBondContact O-N 2.91Å; L128-D130 HydrophobicContact CB-CB 4.18Å; L128-D130 PolarHBondContact O-N 3.37Å; D130-C132 PolarHBondContact O-N 3.42Å
131	F	84	Confident	89.8	Confident	114 Å²	114	54.5 Å²	54.5	50%	0.5	27%	0.268	S	S	.	.			trans	-97	79.7	175	-76.6	-95.3	0	0	0	111.3	A48 I49 F125 I133	A48-F131 PolarHBondContact O-N 3.35Å; I49-F131 HydrophobicContact CG1-CB 3.86Å; I49-F131 WeakPolarHBondContact CG2-O 3.4Å; F125-F131 HydrophobicContact CD1-CE1 4.17Å; F125-F131 HydrophobicContact CD1-CZ 4.33Å; F125-F131 AromaticContact CE1-CD1 3.83Å; F125-F131 HydrophobicContact CE1-CD1 3.83Å; F125-F131 AromaticContact CE1-CE1 3.5Å; F125-F131 HydrophobicContact CE1-CE1 3.5Å; F125-F131 HydrophobicContact CE1-CZ 4.11Å; F131-I133 PolarHBondContact O-N 3.37Å; F131-I133 VanDerWaalsContact O-N 3.16Å
132	C	87.6	Confident	90	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.262	C	S	.	.			trans	-76.6	100.9	178.6	177.2	0	0	0	0	112.4	V54 L124 D130 V134 C135 I136	V54-C132 HydrophobicContact CG2-CB 4.18Å; L124-C132 HydrophobicContact CD1-CB 3.51Å; D130-C132 PolarHBondContact O-N 3.42Å; C132-V134 VanDerWaalsContact C-N 3.31Å; C132-V134 PolarHBondContact O-N 3.09Å; C132-C135 HydrophobicContact CB-CB 3.6Å; C132-C135 WeakPolarHBondContact CB-SG 3.44Å; C132-C135 WeakPolarHBondContact O-CB 3.49Å; C132-C135 PolarHBondContact O-N 2.9Å; C132-C135 VanDerWaalsContact O-N 3.12Å; C132-C135 WeakPolarHBondContact SG-CB 3.41Å; C132-C135 PolarHBondContact SG-N 3.44Å; C132-C135 CovalentContact SG-SG 2.06Å; C132-C135 PolarHBondContact SG-SG 2.94Å; C132-I136 WeakPolarHBondContact O-CG1 3.44Å; C132-I136 PolarHBondContact O-N 3.44Å
133	I	87.3	Confident	90.1	Very high	93 Å²	93	50.5 Å²	50.5	48%	0.477	26%	0.258	S	S	.	.	H	α-helix	trans	-57.7	-41.6	178.3	-61	170.5	0	0	0	111.9	I49 F131 C135 I136 T137	I49-I133 HydrophobicContact CG2-CD1 4.2Å; I49-I133 HydrophobicContact CG2-CG1 4.29Å; F131-I133 PolarHBondContact O-N 3.37Å; F131-I133 VanDerWaalsContact O-N 3.16Å; I133-C135 VanDerWaalsContact C-N 3.31Å; I133-C135 PolarHBondContact O-N 2.92Å; I133-I136 PolarHBondContact O-N 3.37Å; I133-T137 WeakPolarHBondContact O-CB 3.16Å; I133-T137 PolarHBondContact O-N 2.93Å; I133-T137 PolarHBondContact O-OG1 2.85Å
134	V	89.9	Confident	90.3	Very high	13 Å²	13	50.8 Å²	50.8	8%	0.079	27%	0.265	C	S	.	.	H	α-helix	trans	-60.6	-42.6	177.9	173.8	0	0	0	0	111.2	L22 Y25 C43 F55 C132 T137 T138	L22-V134 HydrophobicContact CB-CG1 4.35Å; L22-V134 HydrophobicContact CD2-CG1 4.25Å; Y25-V134 HydrophobicContact CE1-CG2 4.47Å; C43-V134 HydrophobicContact CB-CG2 3.61Å; F55-V134 HydrophobicContact CZ-CB 4.39Å; F55-V134 HydrophobicContact CZ-CG1 3.98Å; C132-V134 VanDerWaalsContact C-N 3.31Å; C132-V134 PolarHBondContact O-N 3.09Å; V134-T137 PolarHBondContact O-N 3.02Å; V134-T138 WeakPolarHBondContact O-CB 3.49Å; V134-T138 PolarHBondContact O-N 3.48Å; V134-T138 PolarHBondContact O-OG1 3.07Å
135	C	89.8	Confident	90.5	Very high	9 Å²	9	50.7 Å²	50.7	6%	0.061	27%	0.265	C	S	.	.	H	α-helix	trans	-67.4	-47.3	-179.8	-49.1	0	0	0	0	110.4	L124 C132 I133 T137 T138 Y139	L124-C135 HydrophobicContact CD1-CB 4.07Å; C132-C135 HydrophobicContact CB-CB 3.6Å; C132-C135 WeakPolarHBondContact CB-SG 3.44Å; C132-C135 WeakPolarHBondContact O-CB 3.49Å; C132-C135 PolarHBondContact O-N 2.9Å; C132-C135 VanDerWaalsContact O-N 3.12Å; C132-C135 WeakPolarHBondContact SG-CB 3.41Å; C132-C135 PolarHBondContact SG-N 3.44Å; C132-C135 CovalentContact SG-SG 2.06Å; C132-C135 PolarHBondContact SG-SG 2.94Å; I133-C135 VanDerWaalsContact C-N 3.31Å; I133-C135 PolarHBondContact O-N 2.92Å; C135-T137 VanDerWaalsContact C-N 3.31Å; C135-T137 PolarHBondContact O-N 2.9Å; C135-T138 WeakPolarHBondContact O-CB 3.39Å; C135-T138 PolarHBondContact O-N 3.12Å; C135-T138 VanDerWaalsContact O-N 3.11Å; C135-Y139 HydrophobicContact CB-CE1 4.49Å; C135-Y139 HydrophobicContact CB-CE2 4.2Å; C135-Y139 VanDerWaalsContact O-CD1 3.22Å; C135-Y139 WeakPolarHBondContact O-CD1 3.3Å; C135-Y139 WeakPolarHBondContact O-CD2 3.4Å; C135-Y139 PolarHBondContact O-N 3.33Å
136	I	91.3	Very high	90.7	Very high	70 Å²	70	47.9 Å²	47.9	36%	0.359	25%	0.253	S	S	.	.	H	α-helix	trans	-58.6	-43.7	176.3	-63.6	165	0	0	0	111	C132 I133 T138 Y139 A140	C132-I136 WeakPolarHBondContact O-CG1 3.44Å; C132-I136 PolarHBondContact O-N 3.44Å; I133-I136 PolarHBondContact O-N 3.37Å; I136-T138 VanDerWaalsContact C-N 3.32Å; I136-T138 PolarHBondContact O-N 3.09Å; I136-Y139 PolarHBondContact O-N 2.88Å; I136-A140 PolarHBondContact O-N 3.25Å
137	T	92.8	Very high	90.8	Very high	59 Å²	59	50.2 Å²	50.2	36%	0.362	26%	0.259	S	S	.	.	H	α-helix	trans	-62.2	-41.7	176.9	-54	0	0	0	0	111.2	L22 I133 V134 C135 Y139 A140 I141	L22-T137 HydrophobicContact CD1-CG2 3.69Å; I133-T137 WeakPolarHBondContact O-CB 3.16Å; I133-T137 PolarHBondContact O-N 2.93Å; I133-T137 PolarHBondContact O-OG1 2.85Å; V134-T137 PolarHBondContact O-N 3.02Å; C135-T137 VanDerWaalsContact C-N 3.31Å; C135-T137 PolarHBondContact O-N 2.9Å; T137-Y139 VanDerWaalsContact C-N 3.33Å; T137-Y139 PolarHBondContact O-N 2.84Å; T137-A140 PolarHBondContact O-N 3.34Å; T137-I141 HydrophobicContact CG2-CD1 4.21Å; T137-I141 VanDerWaalsContact O-CG1 3.3Å; T137-I141 WeakPolarHBondContact O-CG1 3.36Å; T137-I141 PolarHBondContact O-N 3.09Å
138	T	93.6	Very high	90.9	Very high	26 Å²	26	49.4 Å²	49.4	16%	0.16	25%	0.252	C	S	.	.	H	α-helix	trans	-61.9	-40.9	176	-55.7	0	0	0	0	111.2	Y88 V134 C135 I136 I141 N142	Y88-T138 HydrophobicContact CE2-CG2 4.49Å; Y88-T138 WeakPolarHBondContact OH-CG2 3.36Å; V134-T138 WeakPolarHBondContact O-CB 3.49Å; V134-T138 PolarHBondContact O-N 3.48Å; V134-T138 PolarHBondContact O-OG1 3.07Å; C135-T138 WeakPolarHBondContact O-CB 3.39Å; C135-T138 PolarHBondContact O-N 3.12Å; C135-T138 VanDerWaalsContact O-N 3.11Å; I136-T138 VanDerWaalsContact C-N 3.32Å; I136-T138 PolarHBondContact O-N 3.09Å; T138-I141 PolarHBondContact O-N 3.35Å; T138-N142 PolarHBondContact O-N 3.39Å; T138-N142 PolarHBondContact O-ND2 3.04Å
139	Y	93.6	Very high	91.2	Very high	36 Å²	36	48 Å²	48	14%	0.141	25%	0.245	C	C	.	.	H	α-helix	trans	-65.4	-41.6	176.8	-52.8	-24.3	0	0	0	111.8	S117 L120 A121 C135 I136 T137 I141 N142 V143	S117-Y139 VanDerWaalsContact CB-CD1 3.48Å; L120-Y139 HydrophobicContact CB-CE1 4.23Å; L120-Y139 WeakPolarHBondContact CB-OH 3.48Å; A121-Y139 HydrophobicContact CB-CD2 4.02Å; A121-Y139 HydrophobicContact CB-CE2 3.7Å; C135-Y139 HydrophobicContact CB-CE1 4.49Å; C135-Y139 HydrophobicContact CB-CE2 4.2Å; C135-Y139 VanDerWaalsContact O-CD1 3.22Å; C135-Y139 WeakPolarHBondContact O-CD1 3.3Å; C135-Y139 WeakPolarHBondContact O-CD2 3.4Å; C135-Y139 PolarHBondContact O-N 3.33Å; I136-Y139 PolarHBondContact O-N 2.88Å; T137-Y139 VanDerWaalsContact C-N 3.33Å; T137-Y139 PolarHBondContact O-N 2.84Å; Y139-I141 VanDerWaalsContact C-N 3.34Å; Y139-I141 PolarHBondContact O-N 3.01Å; Y139-N142 PolarHBondContact O-N 3.5Å; Y139-V143 WeakPolarHBondContact O-CG2 3.27Å; Y139-V143 PolarHBondContact O-N 2.74Å
140	A	94.6	Very high	91.3	Very high	63 Å²	63	44.6 Å²	44.6	52%	0.521	23%	0.233	S	C	.	.	H	α-helix	trans	-61.4	-42	174.7	0	0	0	0	0	111.8	I136 T137 N142 V143 G144	I136-A140 PolarHBondContact O-N 3.25Å; T137-A140 PolarHBondContact O-N 3.34Å; A140-N142 VanDerWaalsContact C-N 3.34Å; A140-N142 PolarHBondContact O-N 2.85Å; A140-V143 PolarHBondContact O-N 2.92Å; A140-G144 PolarHBondContact O-N 3.02Å
141	I	95.1	Very high	91.4	Very high	12 Å²	12	51 Å²	51	6%	0.062	26%	0.257	C	S	.	.	H	α-helix	trans	-60.5	-44.1	174.3	-68.7	167.3	0	0	0	110.8	L15 A18 L22 Y88 T137 T138 Y139 V143 G144 L145	L15-I141 HydrophobicContact CB-CG2 4.21Å; L15-I141 HydrophobicContact CD2-CG1 4.23Å; L15-I141 HydrophobicContact CD2-CG2 4.32Å; L15-I141 WeakPolarHBondContact O-CG2 3.38Å; A18-I141 HydrophobicContact CB-CD1 3.95Å; L22-I141 HydrophobicContact CD1-CD1 3.86Å; Y88-I141 HydrophobicContact CE1-CG2 3.72Å; T137-I141 HydrophobicContact CG2-CD1 4.21Å; T137-I141 VanDerWaalsContact O-CG1 3.3Å; T137-I141 WeakPolarHBondContact O-CG1 3.36Å; T137-I141 PolarHBondContact O-N 3.09Å; T138-I141 PolarHBondContact O-N 3.35Å; Y139-I141 VanDerWaalsContact C-N 3.34Å; Y139-I141 PolarHBondContact O-N 3.01Å; I141-V143 PolarHBondContact O-N 2.96Å; I141-G144 PolarHBondContact O-N 3.2Å; I141-G144 VanDerWaalsContact O-N 3.15Å; I141-L145 HydrophobicContact CG2-CD1 4.09Å; I141-L145 HydrophobicContact CG2-CG 4.43Å; I141-L145 WeakPolarHBondContact O-CG 3.27Å; I141-L145 PolarHBondContact O-N 3.36Å
142	N	95.6	Very high	91.4	Very high	8 Å²	8	47.2 Å²	47.2	4%	0.043	24%	0.241	C	C	.	.	H	α-helix	trans	-63.8	-39.2	179.9	-68.8	-17.6	0	0	0	112.3	F87 Y88 S113 S117 T138 Y139 A140 L145 M146	F87-N142 WeakPolarHBondContact CE1-OD1 3.29Å; Y88-N142 WeakPolarHBondContact CE1-OD1 3.25Å; Y88-N142 PolarHBondContact OH-OD1 2.75Å; S113-N142 PolarHBondContact OG-ND2 3.13Å; S113-N142 VanDerWaalsContact OG-ND2 3.09Å; S113-N142 PolarHBondContact OG-OD1 3.29Å; S117-N142 PolarHBondContact OG-ND2 3.32Å; T138-N142 PolarHBondContact O-N 3.39Å; T138-N142 PolarHBondContact O-ND2 3.04Å; Y139-N142 PolarHBondContact O-N 3.5Å; A140-N142 VanDerWaalsContact C-N 3.34Å; A140-N142 PolarHBondContact O-N 2.85Å; N142-L145 PolarHBondContact O-N 3.35Å; N142-M146 WeakPolarHBondContact O-CB 3.45Å; N142-M146 PolarHBondContact O-N 2.87Å
143	V	94.6	Very high	91.2	Very high	81 Å²	81	50.3 Å²	50.3	49%	0.491	26%	0.26	S	S	.	.	H	α-helix	trans	-62.8	-42.7	172	173.6	0	0	0	0	111	L114 Y139 A140 I141 M146 W147	L114-V143 HydrophobicContact CD1-CG2 3.65Å; Y139-V143 WeakPolarHBondContact O-CG2 3.27Å; Y139-V143 PolarHBondContact O-N 2.74Å; A140-V143 PolarHBondContact O-N 2.92Å; I141-V143 PolarHBondContact O-N 2.96Å; V143-M146 WeakPolarHBondContact O-CB 3.41Å; V143-M146 PolarHBondContact O-N 3.39Å; V143-W147 PolarHBondContact O-N 3.46Å
144	G	93.8	Very high	90.9	Very high	24 Å²	24	51.7 Å²	51.7	25%	0.247	26%	0.264	C	S	.	.	H	α-helix	trans	-60.4	-45.4	175.2	0	0	0	0	0	112.8	A140 I141 W147 L148	A140-G144 PolarHBondContact O-N 3.02Å; I141-G144 PolarHBondContact O-N 3.2Å; I141-G144 VanDerWaalsContact O-N 3.15Å; G144-W147 PolarHBondContact O-N 3.04Å; G144-L148 WeakPolarHBondContact O-CG 3.44Å; G144-L148 PolarHBondContact O-N 3.22Å
145	L	92.8	Very high	90.2	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-66.4	-36	177	-71.2	173.5	0	0	0	112.7	R12 L15 F87 Y88 Q91 I141 N142 S149	R12-L145 HydrophobicContact CG-CD2 4.1Å; L15-L145 HydrophobicContact CB-CD2 3.94Å; L15-L145 HydrophobicContact CB-CG 4.26Å; L15-L145 HydrophobicContact CD1-CD2 4.28Å; L15-L145 HydrophobicContact CD1-CG 4.47Å; F87-L145 HydrophobicContact CE1-CD1 3.84Å; F87-L145 HydrophobicContact CZ-CD1 4.22Å; Y88-L145 HydrophobicContact CD1-CD1 3.76Å; Y88-L145 HydrophobicContact CE1-CD1 3.63Å; Q91-L145 HydrophobicContact CG-CD1 4.44Å; I141-L145 HydrophobicContact CG2-CD1 4.09Å; I141-L145 HydrophobicContact CG2-CG 4.43Å; I141-L145 WeakPolarHBondContact O-CG 3.27Å; I141-L145 PolarHBondContact O-N 3.36Å; N142-L145 PolarHBondContact O-N 3.35Å; L145-S149 WeakPolarHBondContact O-CB 3.32Å; L145-S149 PolarHBondContact O-N 3.47Å; L145-S149 PolarHBondContact O-OG 2.63Å
146	M	93.4	Very high	88.7	Confident	25 Å²	25	61.1 Å²	61.1	12%	0.123	32%	0.315	C	S	.	.	H	α-helix	trans	-58.6	-52.1	171.2	173	59.5	77.9	0	0	110.9	L107 S110 L111 L114 N142 V143 L148 S149 F150	L107-M146 HydrophobicContact CD1-SD 3.88Å; S110-M146 VanDerWaalsContact O-CE 3.31Å; S110-M146 WeakPolarHBondContact O-CE 3.45Å; L111-M146 HydrophobicContact CB-CE 4.05Å; L111-M146 HydrophobicContact CD2-CE 3.45Å; L111-M146 VanDerWaalsContact CD2-CE 3.45Å; L111-M146 HydrophobicContact CD2-SD 4.26Å; L111-M146 HydrophobicContact CG-CE 3.63Å; L111-M146 HydrophobicContact CG-SD 4.42Å; L111-M146 VanDerWaalsContact N-CE 3.25Å; L114-M146 HydrophobicContact CB-CE 4.05Å; L114-M146 HydrophobicContact CD2-CE 3.96Å; L114-M146 HydrophobicContact CD2-CG 4.42Å; N142-M146 WeakPolarHBondContact O-CB 3.45Å; N142-M146 PolarHBondContact O-N 2.87Å; V143-M146 WeakPolarHBondContact O-CB 3.41Å; V143-M146 PolarHBondContact O-N 3.39Å; M146-L148 VanDerWaalsContact C-N 3.33Å; M146-L148 PolarHBondContact O-N 3.31Å; M146-S149 PolarHBondContact O-N 2.94Å; M146-S149 VanDerWaalsContact O-N 3.09Å; M146-F150 WeakPolarHBondContact O-CB 3.27Å; M146-F150 PolarHBondContact O-N 3.49Å
147	W	92.8	Very high	87.1	Confident	163 Å²	163	63 Å²	63	62%	0.617	32%	0.322	S	S	*	.	H	α-helix	trans	-58.4	-45	-179.8	-175.9	-102.8	0	0	0	111.9	V143 G144 S149 F150 R151	V143-W147 PolarHBondContact O-N 3.46Å; G144-W147 PolarHBondContact O-N 3.04Å; W147-S149 VanDerWaalsContact C-N 3.34Å; W147-S149 PolarHBondContact O-N 2.96Å; W147-F150 PolarHBondContact O-N 2.98Å; W147-R151 WeakPolarHBondContact O-CG 3.32Å; W147-R151 PolarHBondContact O-N 3.01Å
148	L	90.5	Very high	85	Confident	46 Å²	46	63.2 Å²	63.2	24%	0.241	34%	0.336	C	S	.	.	H	α-helix	trans	-62.5	-40.2	175.4	-68.9	178.1	0	0	0	112.4	V11 R12 L15 G144 M146 K152	V11-L148 HydrophobicContact CB-CD1 4.45Å; V11-L148 HydrophobicContact CG1-CD1 3.99Å; V11-L148 HydrophobicContact CG1-CD2 4.46Å; R12-L148 HydrophobicContact CB-CD1 4.11Å; L15-L148 HydrophobicContact CD1-CD1 3.8Å; G144-L148 WeakPolarHBondContact O-CG 3.44Å; G144-L148 PolarHBondContact O-N 3.22Å; M146-L148 VanDerWaalsContact C-N 3.33Å; M146-L148 PolarHBondContact O-N 3.31Å; L148-K152 WeakPolarHBondContact O-CB 3.45Å; L148-K152 PolarHBondContact O-N 2.89Å
149	S	90.8	Very high	82.6	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-67.6	-40.4	178.8	-59.2	0	0	0	0	111.5	R12 S110 L145 M146 W147 K152 V153	R12-S149 PolarHBondContact NH2-OG 2.92Å; S110-S149 PolarHBondContact OG-OG 2.91Å; L145-S149 WeakPolarHBondContact O-CB 3.32Å; L145-S149 PolarHBondContact O-N 3.47Å; L145-S149 PolarHBondContact O-OG 2.63Å; M146-S149 PolarHBondContact O-N 2.94Å; M146-S149 VanDerWaalsContact O-N 3.09Å; W147-S149 VanDerWaalsContact C-N 3.34Å; W147-S149 PolarHBondContact O-N 2.96Å; S149-K152 PolarHBondContact O-N 3.29Å; S149-V153 WeakPolarHBondContact O-CG2 3.18Å; S149-V153 PolarHBondContact O-N 3.19Å; S149-V153 VanDerWaalsContact O-N 3.11Å
150	F	88.6	Confident	80.3	Confident	94 Å²	94	73.6 Å²	73.6	41%	0.412	40%	0.396	S	S	.	.	H	α-helix	trans	-62.7	-46.6	175.8	-169.3	-108.4	0	0	0	111.6	L107 M146 W147 K152 V153 Q154	L107-F150 HydrophobicContact CD1-CB 4.47Å; L107-F150 HydrophobicContact CD1-CD2 4.39Å; M146-F150 WeakPolarHBondContact O-CB 3.27Å; M146-F150 PolarHBondContact O-N 3.49Å; W147-F150 PolarHBondContact O-N 2.98Å; F150-K152 VanDerWaalsContact C-N 3.35Å; F150-K152 PolarHBondContact O-N 3.29Å; F150-V153 PolarHBondContact O-N 3.43Å; F150-Q154 HydrophobicContact CD1-CG 4.48Å; F150-Q154 VanDerWaalsContact CE1-CD 3.46Å; F150-Q154 HydrophobicContact CE1-CG 4.32Å; F150-Q154 WeakPolarHBondContact O-CG 3.17Å; F150-Q154 PolarHBondContact O-N 2.99Å
151	R	87.6	Confident	77.8	Confident	134 Å²	134	80.2 Å²	80.2	51%	0.506	41%	0.413	S	S	.	.	H	α-helix	trans	-60.2	-41.9	174.7	-69.5	-174.1	74.2	173.3	7.3	112.4	W147 V153 Q154 E155	W147-R151 WeakPolarHBondContact O-CG 3.32Å; W147-R151 PolarHBondContact O-N 3.01Å; R151-V153 VanDerWaalsContact C-N 3.28Å; R151-V153 PolarHBondContact O-N 2.89Å; R151-Q154 PolarHBondContact O-N 3.07Å; R151-E155 WeakPolarHBondContact O-CG 3.33Å; R151-E155 PolarHBondContact O-N 3.4Å
152	K	83.4	Confident	75.1	Confident	35 Å²	35	91 Å²	91	15%	0.152	45%	0.453	C	S	.	.	H	α-helix	trans	-64.1	-30.9	178.5	-171.9	171.9	179.3	175.2	0	112.9	G95 L97 L106 L148 S149 F150	G95-K152 PolarHBondContact O-NZ 3.16Å; L97-K152 PolarHBondContact O-NZ 3.09Å; L106-K152 HydrophobicContact CD1-CD 4.18Å; L148-K152 WeakPolarHBondContact O-CB 3.45Å; L148-K152 PolarHBondContact O-N 2.89Å; S149-K152 PolarHBondContact O-N 3.29Å; F150-K152 VanDerWaalsContact C-N 3.35Å; F150-K152 PolarHBondContact O-N 3.29Å
153	V	83.8	Confident	72.4	Confident	66 Å²	66	102.6 Å²	102.6	40%	0.4	51%	0.506	S	S	.	.	H	α-helix	trans	-76.9	-36.1	174.8	169.4	0	0	0	0	111.7	L107 S149 F150 R151	L107-V153 HydrophobicContact CB-CG2 4.23Å; L107-V153 HydrophobicContact CD2-CG2 4.21Å; S149-V153 WeakPolarHBondContact O-CG2 3.18Å; S149-V153 PolarHBondContact O-N 3.19Å; S149-V153 VanDerWaalsContact O-N 3.11Å; F150-V153 PolarHBondContact O-N 3.43Å; R151-V153 VanDerWaalsContact C-N 3.28Å; R151-V153 PolarHBondContact O-N 2.89Å
154	Q	81.6	Confident	71.3	Confident	122 Å²	122	103.7 Å²	103.7	57%	0.57	51%	0.507	S	S	*	.	H	α-helix	trans	-71.6	-30.3	176.2	-71.4	-176.7	-30.8	0	0	113.1	F150 R151 P156	F150-Q154 HydrophobicContact CD1-CG 4.48Å; F150-Q154 VanDerWaalsContact CE1-CD 3.46Å; F150-Q154 HydrophobicContact CE1-CG 4.32Å; F150-Q154 WeakPolarHBondContact O-CG 3.17Å; F150-Q154 PolarHBondContact O-N 2.99Å; R151-Q154 PolarHBondContact O-N 3.07Å; Q154-P156 WeakPolarHBondContact O-CD 3.48Å
155	E	75.1	Confident	70.1	Confident	120 Å²	120	107.8 Å²	107.8	56%	0.561	52%	0.521	S	S	*	.	S	Bend	trans	-64.7	115	173.2	-79.3	-178.8	176.1	0	0	110.2	R151 Q157	R151-E155 WeakPolarHBondContact O-CG 3.33Å; R151-E155 PolarHBondContact O-N 3.4Å; E155-Q157 PolarHBondContact O-N 3.41Å
156	P	57.3	Low	68.9	Low	100 Å²	100	113.8 Å²	113.8	65%	0.649	55%	0.549	S	S	*	.			trans	-61.2	128.2	176.3	-17.7	30.3	0	0	0	109.1	Q154 G158	Q154-P156 WeakPolarHBondContact O-CD 3.48Å; P156-G158 PolarHBondContact O-N 3.15Å
157	Q	57.7	Low	67.4	Low	110 Å²	110	119.1 Å²	119.1	51%	0.514	58%	0.575	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.9	30.9	176	-66.9	-76.4	-37.6	0	0	113.3	R98 E155	R98-Q157 PolarHBondContact O-OE1 3.44Å; E155-Q157 PolarHBondContact O-N 3.41Å
158	G	49.5	Very low	65.8	Low	62 Å²	62	116.3 Å²	116.3	64%	0.639	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.8	10.2	-168.5	0	0	0	0	0	115.7	P156 A160	P156-G158 PolarHBondContact O-N 3.15Å; G158-A160 PolarHBondContact O-N 3.28Å
159	K	43.6	Very low	64.2	Low	193 Å²	193	121 Å²	121	84%	0.839	59%	0.594	S	S	*	*			trans	-82.3	76.9	161.3	-76.1	-169.5	178.5	-178.1	0	109.1	K161	K159-K161 PolarHBondContact O-N 3.05Å; K159-K161 VanDerWaalsContact O-N 3.08Å
160	A	44	Very low	62.3	Low	88 Å²	88	129.6 Å²	129.6	73%	0.727	64%	0.636	S	S	*	*			trans	-48.9	114.4	155.2	0	0	0	0	0	107.2	G158 R162	G158-A160 PolarHBondContact O-N 3.28Å; A160-R162 PolarHBondContact O-N 3.26Å
161	K	42.8	Very low	60.2	Low	202 Å²	202	132.4 Å²	132.4	88%	0.878	65%	0.654	S	S	*	*			trans	-63.5	92.8	161.2	-82.2	-175.4	172.9	-171.9	0	106.2	K159 H163	K159-K161 PolarHBondContact O-N 3.05Å; K159-K161 VanDerWaalsContact O-N 3.08Å; K161-H163 PolarHBondContact O-N 2.83Å
162	R	38.5	Very low	58	Low	237 Å²	237	132.3 Å²	132.3	89%	0.894	67%	0.666	S	S	*	*			trans	-71.4	104.6	149.4	-102.2	-170.9	-177.5	-129.6	4.1	105.3	A160	A160-R162 PolarHBondContact O-N 3.26Å
163	H	38.5	Very low	55.7	Low	252 Å²	252	141.1 Å²	141.1	100%	1.167	71%	0.713	S	S	*	*			trans	-129.2	0	147.8	-93.9	-92.1	0	0	0	105.6	K161	K161-H163 PolarHBondContact O-N 2.83Å

Retrieved 163 of 163 residues in 78.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).