A0A087YKQ4_POEFO Loading...

vitamin-K-epoxide reductase (warfarin-sensitive)

AlphaFold DB , UniProt , Accession A0A087YKQ4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 177 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.9	Very low	57.6	Low	242 Å²	242	95.6 Å²	95.6	100%	1.192	55%	0.551	S	S	*	*				0	104.9	0	-63.4	173.9	-165.4	0	0	107.4	A3	M1-A3 PolarHBondContact O-N 3.45Å
2	A	42.3	Very low	59.9	Low	103 Å²	103	105.3 Å²	105.3	85%	0.851	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-70.2	124.6	178	0	0	0	0	0	108.6
3	A	49.8	Very low	62	Low	82 Å²	82	108.6 Å²	108.6	68%	0.678	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-57.6	130.4	174.4	0	0	0	0	0	108.6	M1 V5	M1-A3 PolarHBondContact O-N 3.45Å; A3-V5 PolarHBondContact O-N 2.89Å; A3-V5 VanDerWaalsContact O-N 3.13Å
4	P	53.1	Low	64.1	Low	71 Å²	71	101.5 Å²	101.5	46%	0.461	53%	0.533	S	S	.	.	P	Polyproline II helix	trans	-58.9	122.8	177.4	23.2	-30.8	0	0	0	108.6	L6	P4-L6 VanDerWaalsContact C-N 3.29Å; P4-L6 PolarHBondContact O-N 3.08Å
5	V	54.4	Low	65.7	Low	136 Å²	136	100.3 Å²	100.3	82%	0.824	52%	0.519	S	S	*	.			trans	-69.4	93.5	173.7	-174.1	0	0	0	0	106.5	A3 R7	A3-V5 PolarHBondContact O-N 2.89Å; A3-V5 VanDerWaalsContact O-N 3.13Å; V5-R7 PolarHBondContact O-N 3.44Å
6	L	54.1	Low	67.4	Low	12 Å²	12	100.6 Å²	100.6	6%	0.063	52%	0.52	C	S	.	.			trans	-57.7	111.1	175.7	-96.4	138.3	0	0	0	108.4	P4 V8 A167	P4-L6 VanDerWaalsContact C-N 3.29Å; P4-L6 PolarHBondContact O-N 3.08Å; L6-V8 HydrophobicContact CB-CG2 4.14Å; L6-V8 HydrophobicContact CD2-CG2 3.42Å; L6-V8 VanDerWaalsContact CD2-CG2 3.42Å; L6-V8 HydrophobicContact CG-CG2 4.41Å; L6-V8 PolarHBondContact O-N 3.25Å; L6-A167 HydrophobicContact CD2-CB 4.12Å
7	R	55	Low	69	Low	249 Å²	249	96.3 Å²	96.3	94%	0.94	50%	0.503	S	S	*	.			trans	-78.8	51.3	174.7	-128.9	-171.5	-164.5	-178.6	4.9	110.3	V5	V5-R7 PolarHBondContact O-N 3.44Å
8	V	62.8	Low	70.4	Confident	22 Å²	22	91.1 Å²	91.1	13%	0.133	48%	0.475	C	S	.	.			trans	-109.6	113.7	-178.6	-170.2	0	0	0	0	107.9	L6 T10 V106 Y163 A167	L6-V8 HydrophobicContact CB-CG2 4.14Å; L6-V8 HydrophobicContact CD2-CG2 3.42Å; L6-V8 VanDerWaalsContact CD2-CG2 3.42Å; L6-V8 HydrophobicContact CG-CG2 4.41Å; L6-V8 PolarHBondContact O-N 3.25Å; V8-T10 PolarHBondContact O-N 3.48Å; V8-V106 VanDerWaalsContact O-CG1 3.23Å; V8-V106 WeakPolarHBondContact O-CG1 3.41Å; V8-Y163 HydrophobicContact CG1-CD1 4.31Å; V8-Y163 HydrophobicContact CG1-CE1 3.25Å; V8-Y163 VanDerWaalsContact CG1-CZ 3.46Å; V8-Y163 WeakPolarHBondContact CG1-OH 3.47Å; V8-A167 HydrophobicContact CG1-CB 4.44Å; V8-A167 HydrophobicContact CG2-CB 3.96Å
9	S	67.4	Low	71.7	Confident	87 Å²	87	90.2 Å²	90.2	61%	0.608	47%	0.471	S	S	*	.	P	Polyproline II helix	trans	-80.2	116.4	177.7	-173.3	0	0	0	0	109.5
10	T	71.7	Confident	73	Confident	1 Å²	1	91.1 Å²	91.1	1%	0.006	48%	0.475	C	S	.	.	P	Polyproline II helix	trans	-58.1	143.2	165.7	48	0	0	0	0	110.4	V8 R15 R160	V8-T10 PolarHBondContact O-N 3.48Å; T10-R15 PolarHBondContact OG1-NE 3.1Å; T10-R15 PolarHBondContact OG1-NH2 3.25Å; T10-R160 HydrophobicContact CG2-CG 4.4Å
11	P	82.4	Confident	74.1	Confident	47 Å²	47	87.5 Å²	87.5	31%	0.305	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-64.5	143.9	-176.7	24.6	-32	0	0	0	111.3	W13 E14 R15	P11-W13 VanDerWaalsContact C-N 3.26Å; P11-W13 HydrophobicContact CB-CG 4.44Å; P11-W13 HydrophobicContact CG-CZ2 4.24Å; P11-W13 PolarHBondContact O-N 2.98Å; P11-E14 HydrophobicContact CG-CB 4.03Å; P11-E14 WeakPolarHBondContact O-CB 3.27Å; P11-E14 PolarHBondContact O-N 3.2Å; P11-E14 VanDerWaalsContact O-N 3.1Å; P11-R15 PolarHBondContact O-N 2.9Å
12	R	85	Confident	76.8	Confident	212 Å²	212	76 Å²	76	80%	0.8	40%	0.401	S	S	*	.	H	α-helix	trans	-58.8	-36.9	-175.8	-69.9	-176.5	177.9	172.8	-0.8	112.7	E14 R15 I16	R12-E14 VanDerWaalsContact C-N 3.3Å; R12-E14 PolarHBondContact O-N 3.4Å; R12-R15 PolarHBondContact O-N 3.03Å; R12-I16 WeakPolarHBondContact O-CG1 3.12Å; R12-I16 PolarHBondContact O-N 3.12Å; R12-I16 VanDerWaalsContact O-N 3.08Å
13	W	87.6	Confident	79.4	Confident	148 Å²	148	75 Å²	75	56%	0.561	38%	0.38	S	S	*	.	H	α-helix	trans	-62.5	-36.1	178.7	71	-100.2	0	0	0	112.3	P11 I16 A17 L156	P11-W13 VanDerWaalsContact C-N 3.26Å; P11-W13 HydrophobicContact CB-CG 4.44Å; P11-W13 HydrophobicContact CG-CZ2 4.24Å; P11-W13 PolarHBondContact O-N 2.98Å; W13-I16 PolarHBondContact O-N 3.43Å; W13-A17 VanDerWaalsContact O-CB 3.27Å; W13-A17 WeakPolarHBondContact O-CB 3.23Å; W13-A17 PolarHBondContact O-N 3.39Å; W13-L156 HydrophobicContact CH2-CD2 4.48Å; W13-L156 HydrophobicContact CZ3-CD2 3.94Å
14	E	90.3	Very high	81.6	Confident	9 Å²	9	74.9 Å²	74.9	4%	0.042	37%	0.368	C	S	.	.	H	α-helix	trans	-64.5	-43.1	177.6	-174.7	-149.3	138.2	0	0	110.2	P11 R12 A17 R18 L156 R160	P11-E14 HydrophobicContact CG-CB 4.03Å; P11-E14 WeakPolarHBondContact O-CB 3.27Å; P11-E14 PolarHBondContact O-N 3.2Å; P11-E14 VanDerWaalsContact O-N 3.1Å; R12-E14 VanDerWaalsContact C-N 3.3Å; R12-E14 PolarHBondContact O-N 3.4Å; E14-A17 PolarHBondContact O-N 3.46Å; E14-R18 VanDerWaalsContact O-CB 3.28Å; E14-R18 WeakPolarHBondContact O-CB 3.49Å; E14-R18 PolarHBondContact O-N 3.16Å; E14-R18 IonicContact OE1-NE 3.74Å; E14-R18 IonicContact OE1-NH2 3.7Å; E14-R18 PolarHBondContact OE1-NH2 3.39Å; E14-L156 HydrophobicContact CG-CD2 4.37Å; E14-R160 WeakPolarHBondContact OE1-CD 3.45Å; E14-R160 IonicContact OE1-CZ 3.74Å; E14-R160 IonicContact OE1-NE 2.89Å; E14-R160 IonicContact OE1-NH1 2.8Å; E14-R160 PolarHBondContact OE1-NH1 3.23Å
15	R	89.3	Confident	83.7	Confident	84 Å²	84	71.5 Å²	71.5	32%	0.317	35%	0.346	S	S	.	.	H	α-helix	trans	-63.7	-44.7	178.9	-63.3	-176.5	-174.7	-171.3	-1.5	111.7	T10 P11 R12 R18 L19	T10-R15 PolarHBondContact OG1-NE 3.1Å; T10-R15 PolarHBondContact OG1-NH2 3.25Å; P11-R15 PolarHBondContact O-N 2.9Å; R12-R15 PolarHBondContact O-N 3.03Å; R15-R18 PolarHBondContact O-N 3.15Å; R15-L19 VanDerWaalsContact O-CB 3.31Å; R15-L19 WeakPolarHBondContact O-CB 3.45Å; R15-L19 PolarHBondContact O-N 2.95Å
16	I	92.4	Very high	85.7	Confident	104 Å²	104	66.6 Å²	66.6	53%	0.533	32%	0.315	S	S	.	.	H	α-helix	trans	-64	-48.7	177.8	-65	167.8	0	0	0	109.9	R12 W13 R18 L19 L20	R12-I16 WeakPolarHBondContact O-CG1 3.12Å; R12-I16 PolarHBondContact O-N 3.12Å; R12-I16 VanDerWaalsContact O-N 3.08Å; W13-I16 PolarHBondContact O-N 3.43Å; I16-R18 VanDerWaalsContact C-N 3.35Å; I16-R18 PolarHBondContact O-N 3.27Å; I16-L19 PolarHBondContact O-N 3.18Å; I16-L20 HydrophobicContact CG2-CD1 4.01Å; I16-L20 HydrophobicContact CG2-CG 4.38Å; I16-L20 WeakPolarHBondContact O-CG 3.49Å; I16-L20 PolarHBondContact O-N 2.95Å
17	A	94.4	Very high	87.7	Confident	28 Å²	28	71.4 Å²	71.4	23%	0.231	34%	0.34	C	S	.	.	H	α-helix	trans	-58	-47.1	178.2	0	0	0	0	0	111.6	W13 E14 L19 L20 V21 L156	W13-A17 VanDerWaalsContact O-CB 3.27Å; W13-A17 WeakPolarHBondContact O-CB 3.23Å; W13-A17 PolarHBondContact O-N 3.39Å; E14-A17 PolarHBondContact O-N 3.46Å; A17-L19 PolarHBondContact O-N 2.95Å; A17-L20 PolarHBondContact O-N 2.94Å; A17-V21 WeakPolarHBondContact O-CB 3.49Å; A17-V21 WeakPolarHBondContact O-CG2 3.42Å; A17-V21 PolarHBondContact O-N 2.89Å; A17-L156 HydrophobicContact CB-CD1 4.21Å; A17-L156 HydrophobicContact CB-CD2 4.42Å
18	R	94.9	Very high	89.6	Confident	2 Å²	2	61 Å²	61	1%	0.008	30%	0.303	C	S	.	.	H	α-helix	trans	-59.2	-46	176.3	-178.9	-177.7	-62.5	-88.1	-7.4	111.8	E14 R15 I16 V21 C22 Q99 L153 L156 N157	E14-R18 VanDerWaalsContact O-CB 3.28Å; E14-R18 WeakPolarHBondContact O-CB 3.49Å; E14-R18 PolarHBondContact O-N 3.16Å; E14-R18 IonicContact OE1-NE 3.74Å; E14-R18 IonicContact OE1-NH2 3.7Å; E14-R18 PolarHBondContact OE1-NH2 3.39Å; R15-R18 PolarHBondContact O-N 3.15Å; I16-R18 VanDerWaalsContact C-N 3.35Å; I16-R18 PolarHBondContact O-N 3.27Å; R18-V21 PolarHBondContact O-N 3.41Å; R18-C22 VanDerWaalsContact O-CB 3.31Å; R18-C22 WeakPolarHBondContact O-CB 3.28Å; R18-C22 PolarHBondContact O-N 3.41Å; R18-C22 PolarHBondContact O-SG 3.27Å; R18-Q99 PolarHBondContact NH1-O 3.41Å; R18-L153 HydrophobicContact CG-CD2 4.33Å; R18-L156 HydrophobicContact CB-CD1 4.42Å; R18-N157 VanDerWaalsContact CZ-OD1 3.25Å; R18-N157 PolarHBondContact NH1-OD1 3.3Å; R18-N157 PolarHBondContact NH2-OD1 3.46Å
19	L	95.3	Very high	91.1	Very high	75 Å²	75	60.3 Å²	60.3	39%	0.393	30%	0.299	S	S	.	.	H	α-helix	trans	-59.9	-49.5	179.8	-178.2	150.9	0	0	0	110.7	R15 I16 A17 V21 C22 L23 L100	R15-L19 VanDerWaalsContact O-CB 3.31Å; R15-L19 WeakPolarHBondContact O-CB 3.45Å; R15-L19 PolarHBondContact O-N 2.95Å; I16-L19 PolarHBondContact O-N 3.18Å; A17-L19 PolarHBondContact O-N 2.95Å; L19-V21 PolarHBondContact O-N 3.2Å; L19-C22 PolarHBondContact O-N 3.47Å; L19-L23 HydrophobicContact CD2-CD1 3.48Å; L19-L23 VanDerWaalsContact CD2-CD1 3.48Å; L19-L23 HydrophobicContact CD2-CG 4.22Å; L19-L23 HydrophobicContact CG-CD1 4.14Å; L19-L23 HydrophobicContact CG-CG 4.47Å; L19-L23 WeakPolarHBondContact O-CB 3.36Å; L19-L23 VanDerWaalsContact O-CG 3.28Å; L19-L23 WeakPolarHBondContact O-CG 3.31Å; L19-L23 PolarHBondContact O-N 3.42Å; L19-L100 HydrophobicContact CB-CD1 4.43Å
20	L	96.5	Very high	92.3	Very high	107 Å²	107	60.2 Å²	60.2	56%	0.56	29%	0.291	S	S	*	.	H	α-helix	trans	-60.7	-46.5	179	-67.3	175.7	0	0	0	111.7	I16 A17 L24	I16-L20 HydrophobicContact CG2-CD1 4.01Å; I16-L20 HydrophobicContact CG2-CG 4.38Å; I16-L20 WeakPolarHBondContact O-CG 3.49Å; I16-L20 PolarHBondContact O-N 2.95Å; A17-L20 PolarHBondContact O-N 2.94Å; L20-L24 VanDerWaalsContact O-CB 3.28Å; L20-L24 WeakPolarHBondContact O-CB 3.37Å; L20-L24 PolarHBondContact O-N 3.38Å
21	V	96.6	Very high	93.3	Very high	16 Å²	16	62.8 Å²	62.8	10%	0.097	30%	0.301	C	S	.	.	H	α-helix	trans	-65	-43.7	-179.8	173.3	0	0	0	0	111.6	A17 R18 L19 G25 L149 I152 L153	A17-V21 WeakPolarHBondContact O-CB 3.49Å; A17-V21 WeakPolarHBondContact O-CG2 3.42Å; A17-V21 PolarHBondContact O-N 2.89Å; R18-V21 PolarHBondContact O-N 3.41Å; L19-V21 PolarHBondContact O-N 3.2Å; V21-G25 PolarHBondContact O-N 2.82Å; V21-L149 HydrophobicContact CG1-CB 4.03Å; V21-L149 HydrophobicContact CG1-CD2 3.96Å; V21-L149 HydrophobicContact CG2-CD2 4.47Å; V21-I152 HydrophobicContact CG2-CG2 3.84Å; V21-L153 HydrophobicContact CB-CD2 4.49Å; V21-L153 HydrophobicContact CG1-CD1 4.06Å; V21-L153 HydrophobicContact CG1-CD2 4Å; V21-L153 HydrophobicContact CG1-CG 3.61Å
22	C	96.8	Very high	93.7	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-68.6	-42.4	179	-64.8	0	0	0	0	111.8	R18 L19 G25 I26 L100	R18-C22 VanDerWaalsContact O-CB 3.31Å; R18-C22 WeakPolarHBondContact O-CB 3.28Å; R18-C22 PolarHBondContact O-N 3.41Å; R18-C22 PolarHBondContact O-SG 3.27Å; L19-C22 PolarHBondContact O-N 3.47Å; C22-G25 PolarHBondContact O-N 2.66Å; C22-I26 VanDerWaalsContact O-CG1 3.25Å; C22-I26 WeakPolarHBondContact O-CG1 3.41Å; C22-I26 PolarHBondContact O-N 2.94Å; C22-L100 HydrophobicContact CB-CB 3.99Å; C22-L100 HydrophobicContact CB-CD1 4.21Å; C22-L100 HydrophobicContact CB-CG 4.5Å
23	L	96.8	Very high	93.9	Very high	82 Å²	82	54.1 Å²	54.1	43%	0.429	27%	0.266	S	S	.	.	H	α-helix	trans	-62.7	-45.8	176.8	-73.3	-177.4	0	0	0	111.3	L19 G25 I26 L27	L19-L23 HydrophobicContact CD2-CD1 3.48Å; L19-L23 VanDerWaalsContact CD2-CD1 3.48Å; L19-L23 HydrophobicContact CD2-CG 4.22Å; L19-L23 HydrophobicContact CG-CD1 4.14Å; L19-L23 HydrophobicContact CG-CG 4.47Å; L19-L23 WeakPolarHBondContact O-CB 3.36Å; L19-L23 VanDerWaalsContact O-CG 3.28Å; L19-L23 WeakPolarHBondContact O-CG 3.31Å; L19-L23 PolarHBondContact O-N 3.42Å; L23-G25 VanDerWaalsContact C-N 3.33Å; L23-G25 PolarHBondContact O-N 3.45Å; L23-I26 PolarHBondContact O-N 3.49Å; L23-L27 WeakPolarHBondContact O-CG 3.39Å; L23-L27 PolarHBondContact O-N 2.87Å
24	L	97	Very high	94	Very high	80 Å²	80	50.9 Å²	50.9	42%	0.419	26%	0.257	S	S	.	.	H	α-helix	trans	-61.8	-43	175.8	-177	59.3	0	0	0	111.3	L20 I26 L27 L28 L149	L20-L24 VanDerWaalsContact O-CB 3.28Å; L20-L24 WeakPolarHBondContact O-CB 3.37Å; L20-L24 PolarHBondContact O-N 3.38Å; L24-I26 PolarHBondContact O-N 2.79Å; L24-L27 PolarHBondContact O-N 3.28Å; L24-L28 HydrophobicContact CD1-CD1 4.48Å; L24-L28 HydrophobicContact CD1-CG 4.34Å; L24-L28 HydrophobicContact CG-CD1 4.27Å; L24-L28 WeakPolarHBondContact O-CG 3.28Å; L24-L28 PolarHBondContact O-N 2.8Å; L24-L149 HydrophobicContact CB-CD1 4.32Å; L24-L149 HydrophobicContact CD2-CD1 4.13Å; L24-L149 HydrophobicContact CD2-CD2 3.94Å; L24-L149 HydrophobicContact CG-CD1 3.94Å
25	G	96.8	Very high	94	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-59.3	-44.2	175.5	0	0	0	0	0	113	V21 C22 L23 S29 Y96	V21-G25 PolarHBondContact O-N 2.82Å; C22-G25 PolarHBondContact O-N 2.66Å; L23-G25 VanDerWaalsContact C-N 3.33Å; L23-G25 PolarHBondContact O-N 3.45Å; G25-S29 WeakPolarHBondContact O-CB 3.2Å; G25-S29 PolarHBondContact O-N 3.06Å; G25-S29 PolarHBondContact O-OG 2.89Å; G25-Y96 VanDerWaalsContact CA-CE2 3.45Å
26	I	96.8	Very high	93.8	Very high	34 Å²	34	47 Å²	47	17%	0.174	24%	0.242	C	C	.	.	H	α-helix	trans	-62	-47.7	175.2	-69.6	165.1	0	0	0	110.5	C22 L23 L24 L28 S29 L30	C22-I26 VanDerWaalsContact O-CG1 3.25Å; C22-I26 WeakPolarHBondContact O-CG1 3.41Å; C22-I26 PolarHBondContact O-N 2.94Å; L23-I26 PolarHBondContact O-N 3.49Å; L24-I26 PolarHBondContact O-N 2.79Å; I26-L28 PolarHBondContact O-N 3.13Å; I26-S29 PolarHBondContact O-N 3.4Å; I26-L30 HydrophobicContact CG2-CD1 3.81Å; I26-L30 HydrophobicContact CG2-CG 4.27Å; I26-L30 WeakPolarHBondContact O-CB 3.34Å; I26-L30 WeakPolarHBondContact O-CG 3.49Å; I26-L30 PolarHBondContact O-N 3.48Å
27	L	96.5	Very high	93.5	Very high	112 Å²	112	48.2 Å²	48.2	59%	0.586	24%	0.24	S	C	*	.	H	α-helix	trans	-60.2	-46.3	179.5	-71.8	172.5	0	0	0	112	L23 L24 S29 L30 Y31	L23-L27 WeakPolarHBondContact O-CG 3.39Å; L23-L27 PolarHBondContact O-N 2.87Å; L24-L27 PolarHBondContact O-N 3.28Å; L27-S29 VanDerWaalsContact C-N 3.3Å; L27-S29 PolarHBondContact O-N 2.97Å; L27-L30 PolarHBondContact O-N 3.44Å; L27-Y31 WeakPolarHBondContact O-CB 3.3Å; L27-Y31 PolarHBondContact O-N 3.35Å
28	L	94.1	Very high	93.2	Very high	31 Å²	31	49.3 Å²	49.3	16%	0.162	24%	0.24	C	C	.	.	H	α-helix	trans	-63.3	-38.2	176.4	-69.8	177.3	0	0	0	111.9	L24 I26 Y31 A32 I142 T145 T146 L149	L24-L28 HydrophobicContact CD1-CD1 4.48Å; L24-L28 HydrophobicContact CD1-CG 4.34Å; L24-L28 HydrophobicContact CG-CD1 4.27Å; L24-L28 WeakPolarHBondContact O-CG 3.28Å; L24-L28 PolarHBondContact O-N 2.8Å; I26-L28 PolarHBondContact O-N 3.13Å; L28-Y31 PolarHBondContact O-N 2.95Å; L28-A32 WeakPolarHBondContact O-CB 3.4Å; L28-A32 PolarHBondContact O-N 3.02Å; L28-I142 HydrophobicContact CB-CG2 4.35Å; L28-T145 HydrophobicContact CD1-CG2 3.56Å; L28-T146 HydrophobicContact CB-CG2 4.07Å; L28-T146 HydrophobicContact CD1-CG2 4.13Å; L28-L149 HydrophobicContact CD1-CD1 3.81Å
29	S	94.1	Very high	92.7	Very high	7 Å²	7	51 Å²	51	5%	0.049	25%	0.247	C	C	.	.	H	α-helix	trans	-69.7	-40.4	178.7	-55.2	0	0	0	0	111.5	G25 I26 L27 A32 F33 S89	G25-S29 WeakPolarHBondContact O-CB 3.2Å; G25-S29 PolarHBondContact O-N 3.06Å; G25-S29 PolarHBondContact O-OG 2.89Å; I26-S29 PolarHBondContact O-N 3.4Å; L27-S29 VanDerWaalsContact C-N 3.3Å; L27-S29 PolarHBondContact O-N 2.97Å; S29-A32 PolarHBondContact O-N 3.42Å; S29-F33 WeakPolarHBondContact O-CB 3.48Å; S29-F33 PolarHBondContact O-N 3.49Å; S29-S89 WeakPolarHBondContact O-CB 3.47Å
30	L	94.1	Very high	92.1	Very high	85 Å²	85	50 Å²	50	45%	0.445	25%	0.25	S	S	.	.	H	α-helix	trans	-62.6	-42.3	172.9	-74.4	170.1	0	0	0	111.6	I26 L27 F33 H34 I93	I26-L30 HydrophobicContact CG2-CD1 3.81Å; I26-L30 HydrophobicContact CG2-CG 4.27Å; I26-L30 WeakPolarHBondContact O-CB 3.34Å; I26-L30 WeakPolarHBondContact O-CG 3.49Å; I26-L30 PolarHBondContact O-N 3.48Å; L27-L30 PolarHBondContact O-N 3.44Å; L30-F33 PolarHBondContact O-N 3.37Å; L30-H34 WeakPolarHBondContact O-CB 3.49Å; L30-H34 PolarHBondContact O-N 2.97Å; L30-I93 HydrophobicContact CD2-CD1 3.65Å; L30-I93 HydrophobicContact CD2-CG1 4.39Å; L30-I93 HydrophobicContact CG-CD1 4.15Å; L30-I93 HydrophobicContact CG-CG1 4.43Å
31	Y	91.8	Very high	91.6	Very high	55 Å²	55	52.6 Å²	52.6	22%	0.216	25%	0.253	C	S	.	.	H	α-helix	trans	-65	-43.5	176.4	-176.7	-116.3	0	0	0	111.7	L27 L28 F33 H34 V35 M48 C49 I142	L27-Y31 WeakPolarHBondContact O-CB 3.3Å; L27-Y31 PolarHBondContact O-N 3.35Å; L28-Y31 PolarHBondContact O-N 2.95Å; Y31-F33 VanDerWaalsContact C-N 3.32Å; Y31-F33 PolarHBondContact O-N 3.4Å; Y31-H34 WeakPolarHBondContact O-CB 3.46Å; Y31-H34 PolarHBondContact O-N 3.45Å; Y31-V35 HydrophobicContact CD1-CG2 4.37Å; Y31-V35 HydrophobicContact CD2-CG2 4.41Å; Y31-V35 HydrophobicContact CE1-CG2 3.95Å; Y31-V35 HydrophobicContact CE2-CG2 3.97Å; Y31-V35 WeakPolarHBondContact O-CG2 3.46Å; Y31-V35 PolarHBondContact O-N 3.47Å; Y31-M48 HydrophobicContact CE2-CE 4.49Å; Y31-M48 WeakPolarHBondContact OH-CB 3.37Å; Y31-M48 PolarHBondContact OH-N 3.27Å; Y31-M48 VanDerWaalsContact OH-N 3.08Å; Y31-C49 HydrophobicContact CE1-CB 4.31Å; Y31-I142 HydrophobicContact CD1-CD1 3.48Å; Y31-I142 VanDerWaalsContact CD1-CD1 3.48Å; Y31-I142 HydrophobicContact CD1-CG1 4.45Å; Y31-I142 HydrophobicContact CE1-CD1 3.61Å
32	A	90	Very high	91	Very high	4 Å²	4	55.1 Å²	55.1	3%	0.033	27%	0.266	C	S	.	.	H	α-helix	trans	-60.4	-41.2	174.2	0	0	0	0	0	112.2	L28 S29 V35 E36 F61 I142	L28-A32 WeakPolarHBondContact O-CB 3.4Å; L28-A32 PolarHBondContact O-N 3.02Å; S29-A32 PolarHBondContact O-N 3.42Å; A32-V35 PolarHBondContact O-N 3Å; A32-E36 WeakPolarHBondContact O-CB 3.45Å; A32-E36 PolarHBondContact O-N 2.97Å; A32-F61 HydrophobicContact CB-CE1 4.37Å; A32-F61 HydrophobicContact CB-CE2 3.98Å; A32-F61 HydrophobicContact CB-CZ 3.83Å; A32-I142 HydrophobicContact CB-CG2 4.47Å
33	F	90.3	Very high	90.3	Very high	74 Å²	74	59.9 Å²	59.9	33%	0.325	30%	0.297	S	S	.	.	H	α-helix	trans	-62.8	-41.9	174.7	-179	-104.6	0	0	0	112.3	S29 L30 Y31 R37 P87 S89 V90	S29-F33 WeakPolarHBondContact O-CB 3.48Å; S29-F33 PolarHBondContact O-N 3.49Å; L30-F33 PolarHBondContact O-N 3.37Å; Y31-F33 VanDerWaalsContact C-N 3.32Å; Y31-F33 PolarHBondContact O-N 3.4Å; F33-R37 WeakPolarHBondContact O-CB 3.34Å; F33-R37 PolarHBondContact O-N 3.02Å; F33-P87 HydrophobicContact CD2-CB 4.22Å; F33-P87 HydrophobicContact CD2-CG 4.2Å; F33-P87 HydrophobicContact CE2-CG 4.09Å; F33-S89 WeakPolarHBondContact CA-OG 3.33Å; F33-S89 WeakPolarHBondContact CB-OG 3.44Å; F33-V90 HydrophobicContact CD2-CG2 3.88Å; F33-V90 HydrophobicContact CE2-CG2 3.89Å
34	H	90.2	Very high	89.7	Confident	80 Å²	80	61.3 Å²	61.3	37%	0.37	31%	0.309	S	S	.	.	H	α-helix	trans	-61.7	-49.1	174.8	174.1	64	0	0	0	111.5	L30 Y31 E36 R37 E38	L30-H34 WeakPolarHBondContact O-CB 3.49Å; L30-H34 PolarHBondContact O-N 2.97Å; Y31-H34 WeakPolarHBondContact O-CB 3.46Å; Y31-H34 PolarHBondContact O-N 3.45Å; H34-E36 PolarHBondContact O-N 3.05Å; H34-R37 PolarHBondContact O-N 3.3Å; H34-R37 VanDerWaalsContact O-N 3.16Å; H34-E38 WeakPolarHBondContact CE1-CG 3.33Å; H34-E38 IonicContact CE1-OE1 2.83Å; H34-E38 IonicContact ND1-OE1 3.96Å; H34-E38 WeakPolarHBondContact O-CG 3.35Å; H34-E38 PolarHBondContact O-N 3.23Å
35	V	88.6	Confident	89.1	Confident	0 Å²	0	60 Å²	60	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-59.2	-45.4	178	169.8	0	0	0	0	111.5	Y31 A32 R37 E38 K39 Y45 A47 F61	Y31-V35 HydrophobicContact CD1-CG2 4.37Å; Y31-V35 HydrophobicContact CD2-CG2 4.41Å; Y31-V35 HydrophobicContact CE1-CG2 3.95Å; Y31-V35 HydrophobicContact CE2-CG2 3.97Å; Y31-V35 WeakPolarHBondContact O-CG2 3.46Å; Y31-V35 PolarHBondContact O-N 3.47Å; A32-V35 PolarHBondContact O-N 3Å; V35-R37 VanDerWaalsContact C-N 3.31Å; V35-R37 PolarHBondContact O-N 2.92Å; V35-E38 PolarHBondContact O-N 2.95Å; V35-K39 VanDerWaalsContact O-CB 3.23Å; V35-K39 WeakPolarHBondContact O-CB 3.31Å; V35-K39 PolarHBondContact O-N 3.07Å; V35-Y45 HydrophobicContact CG1-CE1 4.49Å; V35-A47 HydrophobicContact CB-CB 4.39Å; V35-A47 HydrophobicContact CG1-CB 3.75Å; V35-A47 HydrophobicContact CG2-CB 3.68Å; V35-F61 HydrophobicContact CG1-CD2 4.42Å
36	E	86.1	Confident	88.4	Confident	10 Å²	10	67.4 Å²	67.4	5%	0.047	33%	0.334	C	S	.	.	H	α-helix	trans	-60	-43.1	176.4	-176.9	177.2	155.1	0	0	111.5	A32 H34 A40 F61 R69 P87	A32-E36 WeakPolarHBondContact O-CB 3.45Å; A32-E36 PolarHBondContact O-N 2.97Å; H34-E36 PolarHBondContact O-N 3.05Å; E36-A40 VanDerWaalsContact O-CB 3.26Å; E36-A40 WeakPolarHBondContact O-CB 3.17Å; E36-A40 PolarHBondContact O-N 3.08Å; E36-F61 HydrophobicContact CB-CB 4.18Å; E36-R69 WeakPolarHBondContact OE1-CG 3.36Å; E36-R69 IonicContact OE1-CZ 3.96Å; E36-R69 IonicContact OE1-NE 3.65Å; E36-R69 PolarHBondContact OE1-NE 2.96Å; E36-R69 IonicContact OE1-NH2 3.72Å; E36-P87 WeakPolarHBondContact OE1-CG 3.35Å; E36-P87 VanDerWaalsContact OE2-CB 3.3Å; E36-P87 WeakPolarHBondContact OE2-CB 3.28Å
37	R	86.3	Confident	87.7	Confident	130 Å²	130	66 Å²	66	49%	0.491	33%	0.327	S	S	.	.	H	α-helix	trans	-67.4	-44.5	-179.4	-171.7	-178.8	-176	-175.5	2	112.4	F33 H34 V35 A40 R41	F33-R37 WeakPolarHBondContact O-CB 3.34Å; F33-R37 PolarHBondContact O-N 3.02Å; H34-R37 PolarHBondContact O-N 3.3Å; H34-R37 VanDerWaalsContact O-N 3.16Å; V35-R37 VanDerWaalsContact C-N 3.31Å; V35-R37 PolarHBondContact O-N 2.92Å; R37-A40 PolarHBondContact O-N 3.19Å; R37-R41 WeakPolarHBondContact O-CG 3.33Å; R37-R41 PolarHBondContact O-N 3.29Å
38	E	88.2	Confident	86.9	Confident	51 Å²	51	68.5 Å²	68.5	24%	0.238	34%	0.338	C	S	.	.	H	α-helix	trans	-67.3	-43.8	178.1	-67.5	-51.6	138.8	0	0	110.8	H34 V35 A40 R41 D42 Y45	H34-E38 WeakPolarHBondContact CE1-CG 3.33Å; H34-E38 IonicContact CE1-OE1 2.83Å; H34-E38 IonicContact ND1-OE1 3.96Å; H34-E38 WeakPolarHBondContact O-CG 3.35Å; H34-E38 PolarHBondContact O-N 3.23Å; V35-E38 PolarHBondContact O-N 2.95Å; E38-A40 VanDerWaalsContact C-N 3.25Å; E38-A40 PolarHBondContact O-N 3.46Å; E38-R41 WeakPolarHBondContact O-CB 3.49Å; E38-R41 PolarHBondContact O-N 3.09Å; E38-D42 PolarHBondContact O-N 3.3Å; E38-Y45 HydrophobicContact CB-CD1 3.95Å; E38-Y45 HydrophobicContact CB-CD2 4.2Å; E38-Y45 HydrophobicContact CB-CE1 3.96Å; E38-Y45 HydrophobicContact CB-CE2 4.21Å; E38-Y45 HydrophobicContact CB-CG 4.08Å
39	K	83.9	Confident	86.3	Confident	37 Å²	37	67.8 Å²	67.8	16%	0.161	34%	0.335	C	S	.	.	H	α-helix	trans	-64.1	-29.8	176.4	-165.8	62.7	166.1	-179.4	0	113.1	V35 R41 D42 P43 Y45	V35-K39 VanDerWaalsContact O-CB 3.23Å; V35-K39 WeakPolarHBondContact O-CB 3.31Å; V35-K39 PolarHBondContact O-N 3.07Å; K39-R41 VanDerWaalsContact C-N 3.35Å; K39-D42 CarbonylContact O-C 3.49Å; K39-P43 WeakPolarHBondContact CE-O 3.37Å; K39-P43 PolarHBondContact NZ-O 3.36Å; K39-Y45 HydrophobicContact CB-CD1 4.47Å; K39-Y45 VanDerWaalsContact CD-O 3.26Å; K39-Y45 WeakPolarHBondContact CD-O 3.47Å; K39-Y45 WeakPolarHBondContact CE-O 3.39Å; K39-Y45 PolarHBondContact NZ-O 3.44Å
40	A	82.8	Confident	85.8	Confident	55 Å²	55	69.2 Å²	69.2	46%	0.455	34%	0.342	S	S	.	.	H	α-helix	trans	-72.4	-27.6	173.3	0	0	0	0	0	113	E36 R37 E38	E36-A40 VanDerWaalsContact O-CB 3.26Å; E36-A40 WeakPolarHBondContact O-CB 3.17Å; E36-A40 PolarHBondContact O-N 3.08Å; R37-A40 PolarHBondContact O-N 3.19Å; E38-A40 VanDerWaalsContact C-N 3.25Å; E38-A40 PolarHBondContact O-N 3.46Å
41	R	85.6	Confident	85	Confident	161 Å²	161	70.2 Å²	70.2	61%	0.608	35%	0.351	S	S	*	.	H	α-helix	trans	-83.5	-44.2	176.1	-75.1	175.3	169.8	-170.8	-8.3	112.1	R37 E38 K39	R37-R41 WeakPolarHBondContact O-CG 3.33Å; R37-R41 PolarHBondContact O-N 3.29Å; E38-R41 WeakPolarHBondContact O-CB 3.49Å; E38-R41 PolarHBondContact O-N 3.09Å; K39-R41 VanDerWaalsContact C-N 3.35Å
42	D	85	Confident	84.3	Confident	69 Å²	69	70.1 Å²	70.1	37%	0.369	36%	0.359	S	S	.	.			trans	-125.4	104.8	-179.9	-177.5	-3.3	0	0	0	110	E38 K39 T44 Y45	E38-D42 PolarHBondContact O-N 3.3Å; K39-D42 CarbonylContact O-C 3.49Å; D42-T44 PolarHBondContact O-N 2.83Å; D42-T44 VanDerWaalsContact O-N 3.1Å; D42-T44 WeakPolarHBondContact OD1-CA 3.35Å; D42-T44 WeakPolarHBondContact OD1-CB 3.4Å; D42-T44 PolarHBondContact OD1-N 2.96Å; D42-T44 PolarHBondContact OD1-OG1 3.47Å; D42-T44 PolarHBondContact OD2-OG1 3.31Å; D42-Y45 VanDerWaalsContact O-CB 3.25Å; D42-Y45 WeakPolarHBondContact O-CB 3.29Å; D42-Y45 PolarHBondContact O-N 2.92Å; D42-Y45 VanDerWaalsContact O-N 3.08Å
43	P	82	Confident	83.5	Confident	101 Å²	101	74.4 Å²	74.4	66%	0.656	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-19.7	177.1	-23.7	34.3	0	0	0	114.2	K39	K39-P43 WeakPolarHBondContact CE-O 3.37Å; K39-P43 PolarHBondContact NZ-O 3.36Å
44	T	84.3	Confident	82.6	Confident	112 Å²	112	74.2 Å²	74.2	69%	0.687	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-8.3	179.2	69.5	0	0	0	0	113.5	D42 E46	D42-T44 PolarHBondContact O-N 2.83Å; D42-T44 VanDerWaalsContact O-N 3.1Å; D42-T44 WeakPolarHBondContact OD1-CA 3.35Å; D42-T44 WeakPolarHBondContact OD1-CB 3.4Å; D42-T44 PolarHBondContact OD1-N 2.96Å; D42-T44 PolarHBondContact OD1-OG1 3.47Å; D42-T44 PolarHBondContact OD2-OG1 3.31Å; T44-E46 PolarHBondContact O-N 3.32Å
45	Y	83.8	Confident	82	Confident	52 Å²	52	72.7 Å²	72.7	20%	0.204	39%	0.39	C	S	.	.			trans	-58.3	132.8	178.2	177	-99.1	0	0	0	112.7	V35 E38 K39 D42 A47	V35-Y45 HydrophobicContact CG1-CE1 4.49Å; E38-Y45 HydrophobicContact CB-CD1 3.95Å; E38-Y45 HydrophobicContact CB-CD2 4.2Å; E38-Y45 HydrophobicContact CB-CE1 3.96Å; E38-Y45 HydrophobicContact CB-CE2 4.21Å; E38-Y45 HydrophobicContact CB-CG 4.08Å; K39-Y45 HydrophobicContact CB-CD1 4.47Å; K39-Y45 VanDerWaalsContact CD-O 3.26Å; K39-Y45 WeakPolarHBondContact CD-O 3.47Å; K39-Y45 WeakPolarHBondContact CE-O 3.39Å; K39-Y45 PolarHBondContact NZ-O 3.44Å; D42-Y45 VanDerWaalsContact O-CB 3.25Å; D42-Y45 WeakPolarHBondContact O-CB 3.29Å; D42-Y45 PolarHBondContact O-N 2.92Å; D42-Y45 VanDerWaalsContact O-N 3.08Å; Y45-A47 HydrophobicContact CE1-CB 4.01Å
46	E	82.6	Confident	81.5	Confident	156 Å²	156	73 Å²	73	73%	0.729	39%	0.393	S	S	*	.			trans	-116.2	130.2	172.6	-65.2	-170.6	158.7	0	0	109.5	T44	T44-E46 PolarHBondContact O-N 3.32Å
47	A	82.4	Confident	81.2	Confident	5 Å²	5	72.6 Å²	72.6	4%	0.041	39%	0.391	C	S	.	.			trans	-84.2	156.2	-177.1	0	0	0	0	0	110.6	V35 Y45 C49 D50 S58	V35-A47 HydrophobicContact CB-CB 4.39Å; V35-A47 HydrophobicContact CG1-CB 3.75Å; V35-A47 HydrophobicContact CG2-CB 3.68Å; Y45-A47 HydrophobicContact CE1-CB 4.01Å; A47-C49 PolarHBondContact O-N 3.31Å; A47-D50 PolarHBondContact N-OD2 2.94Å; A47-D50 VanDerWaalsContact O-CB 3.29Å; A47-D50 WeakPolarHBondContact O-CB 3.34Å; A47-D50 PolarHBondContact O-N 3.3Å; A47-S58 WeakPolarHBondContact CB-OG 3.44Å; A47-S58 PolarHBondContact N-OG 3.45Å; A47-S58 VanDerWaalsContact N-OG 3.16Å
48	M	79.3	Confident	80.8	Confident	164 Å²	164	66.4 Å²	66.4	81%	0.808	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-16.9	176.2	-53.9	178.7	-137.6	0	0	113.8	Y31 D50	Y31-M48 HydrophobicContact CE2-CE 4.49Å; Y31-M48 WeakPolarHBondContact OH-CB 3.37Å; Y31-M48 PolarHBondContact OH-N 3.27Å; Y31-M48 VanDerWaalsContact OH-N 3.08Å; M48-D50 VanDerWaalsContact C-N 3.34Å
49	C	81	Confident	80.2	Confident	16 Å²	16	68.5 Å²	68.5	11%	0.108	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	4.4	176.6	69.3	0	0	0	0	113.1	Y31 A47 V51 C57 I142	Y31-C49 HydrophobicContact CE1-CB 4.31Å; A47-C49 PolarHBondContact O-N 3.31Å; C49-V51 PolarHBondContact O-N 2.85Å; C49-C57 HydrophobicContact CB-CB 4.41Å; C49-C57 WeakPolarHBondContact CB-SG 3.4Å; C49-C57 WeakPolarHBondContact SG-CB 3.48Å; C49-C57 CovalentContact SG-SG 2.04Å; C49-C57 PolarHBondContact SG-SG 2.97Å; C49-I142 HydrophobicContact CB-CD1 3.99Å; C49-I142 HydrophobicContact CB-CG1 4.14Å; C49-I142 WeakPolarHBondContact SG-CD1 3.44Å
50	D	82.7	Confident	79.8	Confident	37 Å²	37	67.4 Å²	67.4	20%	0.198	37%	0.372	C	S	.	.			trans	-80.8	96	166.9	-62.2	-29	0	0	0	108.2	A47 M48 I55 S56 C57 S58	A47-D50 PolarHBondContact N-OD2 2.94Å; A47-D50 VanDerWaalsContact O-CB 3.29Å; A47-D50 WeakPolarHBondContact O-CB 3.34Å; A47-D50 PolarHBondContact O-N 3.3Å; M48-D50 VanDerWaalsContact C-N 3.34Å; D50-I55 CarbonylContact C-O 3.28Å; D50-I55 WeakPolarHBondContact CA-O 3.38Å; D50-S56 VanDerWaalsContact CG-OG 3.27Å; D50-S56 VanDerWaalsContact OD1-C 3.3Å; D50-S56 WeakPolarHBondContact OD1-CA 3.34Å; D50-S56 VanDerWaalsContact OD1-CB 3.25Å; D50-S56 WeakPolarHBondContact OD1-CB 3.25Å; D50-S56 PolarHBondContact OD1-OG 2.88Å; D50-C57 PolarHBondContact OD1-N 2.74Å; D50-S58 PolarHBondContact OD1-N 3.48Å; D50-S58 PolarHBondContact OD1-OG 3.5Å; D50-S58 WeakPolarHBondContact OD2-CB 3.29Å; D50-S58 PolarHBondContact OD2-OG 2.87Å
51	V	78.3	Confident	79.3	Confident	105 Å²	105	65.6 Å²	65.6	64%	0.636	35%	0.354	S	S	*	.			trans	-91.1	-31	-176.5	-177.8	0	0	0	0	111.1	C49 I55	C49-V51 PolarHBondContact O-N 2.85Å; V51-I55 HydrophobicContact CB-CB 4.15Å; V51-I55 HydrophobicContact CB-CG2 3.9Å; V51-I55 HydrophobicContact CG2-CG2 4.1Å; V51-I55 PolarHBondContact N-O 3.13Å
52	S	77.6	Confident	78.6	Confident	54 Å²	54	59 Å²	59	38%	0.378	33%	0.332	S	S	.	.	B	Isolated β-bridge	trans	-157.8	173.2	178.5	74.2	0	0	0	0	111.1	S54 I55	S52-S54 PolarHBondContact O-N 3.21Å; S52-S54 PolarHBondContact OG-N 3.37Å; S52-I55 PolarHBondContact N-O 2.96Å; S52-I55 CarbonylContact O-C 3.54Å; S52-I55 VanDerWaalsContact O-C 3.28Å; S52-I55 PolarHBondContact O-N 3.4Å; S52-I55 WeakPolarHBondContact OG-CG1 3.47Å; S52-I55 PolarHBondContact OG-N 3.07Å
53	S	72.7	Confident	77.3	Confident	93 Å²	93	61 Å²	61	65%	0.65	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-24.3	176.6	57	0	0	0	0	113.9	K59	S53-K59 PolarHBondContact O-NZ 2.82Å
54	S	70.9	Confident	76.3	Confident	71 Å²	71	67.3 Å²	67.3	50%	0.497	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-6.7	178.5	-57.1	0	0	0	0	113.3	S52 F139	S52-S54 PolarHBondContact O-N 3.21Å; S52-S54 PolarHBondContact OG-N 3.37Å; S54-F139 PolarHBondContact O-N 2.98Å
55	I	78.4	Confident	75.3	Confident	47 Å²	47	62.7 Å²	62.7	24%	0.241	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-121.8	81.8	176.6	-57.2	166.4	0	0	0	107.3	D50 V51 S52 F139 V141	D50-I55 CarbonylContact C-O 3.28Å; D50-I55 WeakPolarHBondContact CA-O 3.38Å; V51-I55 HydrophobicContact CB-CB 4.15Å; V51-I55 HydrophobicContact CB-CG2 3.9Å; V51-I55 HydrophobicContact CG2-CG2 4.1Å; V51-I55 PolarHBondContact N-O 3.13Å; S52-I55 PolarHBondContact N-O 2.96Å; S52-I55 CarbonylContact O-C 3.54Å; S52-I55 VanDerWaalsContact O-C 3.28Å; S52-I55 PolarHBondContact O-N 3.4Å; S52-I55 WeakPolarHBondContact OG-CG1 3.47Å; S52-I55 PolarHBondContact OG-N 3.07Å; I55-F139 VanDerWaalsContact CA-O 3.26Å; I55-F139 WeakPolarHBondContact CA-O 3.37Å; I55-F139 HydrophobicContact CG1-CB 4.08Å; I55-F139 HydrophobicContact CG1-CD1 4.35Å; I55-F139 HydrophobicContact CG2-CD1 4.42Å; I55-F139 WeakPolarHBondContact CG2-O 3.47Å; I55-V141 HydrophobicContact CG2-CG2 3.91Å
56	S	78.8	Confident	74.9	Confident	8 Å²	8	68.8 Å²	68.8	6%	0.056	36%	0.358	C	S	.	.			trans	-133.9	118.8	-179.5	174.9	0	0	0	0	112.2	D50 S58 K59 V60	D50-S56 VanDerWaalsContact CG-OG 3.27Å; D50-S56 VanDerWaalsContact OD1-C 3.3Å; D50-S56 WeakPolarHBondContact OD1-CA 3.34Å; D50-S56 VanDerWaalsContact OD1-CB 3.25Å; D50-S56 WeakPolarHBondContact OD1-CB 3.25Å; D50-S56 PolarHBondContact OD1-OG 2.88Å; S56-S58 PolarHBondContact OG-N 3.28Å; S56-K59 PolarHBondContact OG-N 2.71Å; S56-V60 WeakPolarHBondContact O-CG2 3.29Å
57	C	78.3	Confident	74.6	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-76.7	-31.3	170.5	-32.5	0	0	0	0	111.2	C49 D50 K59 V60 F61 I142	C49-C57 HydrophobicContact CB-CB 4.41Å; C49-C57 WeakPolarHBondContact CB-SG 3.4Å; C49-C57 WeakPolarHBondContact SG-CB 3.48Å; C49-C57 CovalentContact SG-SG 2.04Å; C49-C57 PolarHBondContact SG-SG 2.97Å; D50-C57 PolarHBondContact OD1-N 2.74Å; C57-K59 VanDerWaalsContact C-N 3.25Å; C57-K59 PolarHBondContact O-N 3.47Å; C57-V60 PolarHBondContact O-N 3.35Å; C57-V60 VanDerWaalsContact O-N 3.11Å; C57-F61 HydrophobicContact CB-CD2 3.95Å; C57-F61 HydrophobicContact CB-CE2 3.94Å; C57-F61 WeakPolarHBondContact O-CD2 3.41Å; C57-F61 PolarHBondContact O-N 3.27Å; C57-I142 HydrophobicContact CB-CD1 4.19Å
58	S	78.2	Confident	74.2	Confident	1 Å²	1	64.1 Å²	64.1	1%	0.007	33%	0.334	C	S	.	.	H	α-helix	trans	-62.8	-33.5	-178.8	-58.5	0	0	0	0	112.2	A47 D50 S56 S62	A47-S58 WeakPolarHBondContact CB-OG 3.44Å; A47-S58 PolarHBondContact N-OG 3.45Å; A47-S58 VanDerWaalsContact N-OG 3.16Å; D50-S58 PolarHBondContact OD1-N 3.48Å; D50-S58 PolarHBondContact OD1-OG 3.5Å; D50-S58 WeakPolarHBondContact OD2-CB 3.29Å; D50-S58 PolarHBondContact OD2-OG 2.87Å; S56-S58 PolarHBondContact OG-N 3.28Å; S58-S62 WeakPolarHBondContact O-CB 3.27Å; S58-S62 PolarHBondContact O-N 3.36Å
59	K	75.1	Confident	74.3	Confident	95 Å²	95	62.2 Å²	62.2	41%	0.413	32%	0.318	S	S	.	.	H	α-helix	trans	-66.4	-45.7	172	-71.3	-179.8	-174.6	177.5	0	111.9	S53 S56 C57 F61 S62	S53-K59 PolarHBondContact O-NZ 2.82Å; S56-K59 PolarHBondContact OG-N 2.71Å; C57-K59 VanDerWaalsContact C-N 3.25Å; C57-K59 PolarHBondContact O-N 3.47Å; K59-F61 VanDerWaalsContact C-N 3.33Å; K59-F61 PolarHBondContact O-N 3.05Å; K59-S62 WeakPolarHBondContact O-CB 3.34Å; K59-S62 PolarHBondContact O-N 2.92Å; K59-S62 PolarHBondContact O-OG 3.28Å
60	V	76.3	Confident	74.2	Confident	13 Å²	13	61.5 Å²	61.5	8%	0.079	31%	0.312	C	S	.	.	H	α-helix	trans	-63.6	-38	-178.9	175.5	0	0	0	0	112.1	S56 C57 S65 L132 L136 D138 C140	S56-V60 WeakPolarHBondContact O-CG2 3.29Å; C57-V60 PolarHBondContact O-N 3.35Å; C57-V60 VanDerWaalsContact O-N 3.11Å; V60-S65 WeakPolarHBondContact O-CB 3.37Å; V60-S65 PolarHBondContact O-OG 3.37Å; V60-L132 HydrophobicContact CG1-CD1 4.34Å; V60-L132 HydrophobicContact CG2-CD1 4.29Å; V60-L136 HydrophobicContact CB-CD2 4.22Å; V60-L136 HydrophobicContact CG1-CD2 4.24Å; V60-L136 HydrophobicContact CG2-CD2 3.88Å; V60-D138 HydrophobicContact CG2-CB 4.1Å; V60-C140 HydrophobicContact CG2-CB 4.14Å
61	F	71.7	Confident	74.2	Confident	18 Å²	18	62.4 Å²	62.4	8%	0.079	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	3.3	178	-61.7	-58.2	0	0	0	114	A32 V35 E36 C57 K59	A32-F61 HydrophobicContact CB-CE1 4.37Å; A32-F61 HydrophobicContact CB-CE2 3.98Å; A32-F61 HydrophobicContact CB-CZ 3.83Å; V35-F61 HydrophobicContact CG1-CD2 4.42Å; E36-F61 HydrophobicContact CB-CB 4.18Å; C57-F61 HydrophobicContact CB-CD2 3.95Å; C57-F61 HydrophobicContact CB-CE2 3.94Å; C57-F61 WeakPolarHBondContact O-CD2 3.41Å; C57-F61 PolarHBondContact O-N 3.27Å; K59-F61 VanDerWaalsContact C-N 3.33Å; K59-F61 PolarHBondContact O-N 3.05Å
62	S	71.8	Confident	74.2	Confident	21 Å²	21	58.2 Å²	58.2	15%	0.147	29%	0.293	C	S	.	.	S	Bend	trans	-64.4	152.2	177.8	68.7	0	0	0	0	111.2	S58 K59 R64 S65	S58-S62 WeakPolarHBondContact O-CB 3.27Å; S58-S62 PolarHBondContact O-N 3.36Å; K59-S62 WeakPolarHBondContact O-CB 3.34Å; K59-S62 PolarHBondContact O-N 2.92Å; K59-S62 PolarHBondContact O-OG 3.28Å; S62-R64 PolarHBondContact O-N 2.87Å; S62-S65 WeakPolarHBondContact O-CA 3.32Å; S62-S65 WeakPolarHBondContact O-CB 3.03Å; S62-S65 PolarHBondContact O-N 2.75Å
63	S	57.9	Low	74.4	Confident	113 Å²	113	59.4 Å²	59.4	79%	0.79	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-18.6	173.6	54.6	0	0	0	0	113.9
64	R	59.5	Low	74.6	Confident	232 Å²	232	56.6 Å²	56.6	88%	0.875	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-27	174	-165.8	179.4	-70.9	146.1	-3.2	112.5	S62 R66	S62-R64 PolarHBondContact O-N 2.87Å; R64-R66 PolarHBondContact O-N 2.96Å
65	S	64.4	Low	74.8	Confident	15 Å²	15	53.8 Å²	53.8	11%	0.105	25%	0.254	C	S	.	.			trans	-85.6	94	173	179.6	0	0	0	0	109.8	V60 S62 W67 G68	V60-S65 WeakPolarHBondContact O-CB 3.37Å; V60-S65 PolarHBondContact O-OG 3.37Å; S62-S65 WeakPolarHBondContact O-CA 3.32Å; S62-S65 WeakPolarHBondContact O-CB 3.03Å; S62-S65 PolarHBondContact O-N 2.75Å; S65-W67 PolarHBondContact O-N 3.47Å; S65-G68 PolarHBondContact O-N 3.22Å; S65-G68 VanDerWaalsContact O-N 3.08Å
66	R	74.3	Confident	74.7	Confident	181 Å²	181	56.8 Å²	56.8	68%	0.683	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-56	-19.3	174.3	59.5	165.6	38.1	174.6	-8.7	113.9	R64 G68 R69 G72	R64-R66 PolarHBondContact O-N 2.96Å; R66-G68 VanDerWaalsContact C-N 3.31Å; R66-R69 VanDerWaalsContact O-O 3.06Å; R66-G72 WeakPolarHBondContact O-CA 3.38Å; R66-G72 PolarHBondContact O-N 3.43Å
67	W	77.1	Confident	74.8	Confident	60 Å²	60	61.9 Å²	61.9	23%	0.227	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-76.4	-17.2	-178.7	-52.1	108	0	0	0	113.2	S65 R69 N88 Y127 I131	S65-W67 PolarHBondContact O-N 3.47Å; W67-R69 VanDerWaalsContact C-N 3.31Å; W67-N88 PolarHBondContact O-ND2 3.29Å; W67-Y127 AromaticContact CZ3-CZ 3.98Å; W67-Y127 WeakPolarHBondContact CZ3-OH 3.23Å; W67-I131 HydrophobicContact CB-CG2 4.07Å; W67-I131 HydrophobicContact CD2-CD1 4.33Å; W67-I131 HydrophobicContact CD2-CG1 4.41Å; W67-I131 HydrophobicContact CD2-CG2 3.89Å; W67-I131 HydrophobicContact CG-CG2 3.57Å; W67-I131 HydrophobicContact CH2-CD1 4.23Å; W67-I131 HydrophobicContact CZ2-CD1 3.97Å
68	G	74.4	Confident	74.8	Confident	3 Å²	3	67.2 Å²	67.2	3%	0.031	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-72.6	-20.5	176.7	0	0	0	0	0	114.3	S65 R66 N88	S65-G68 PolarHBondContact O-N 3.22Å; S65-G68 VanDerWaalsContact O-N 3.08Å; R66-G68 VanDerWaalsContact C-N 3.31Å; G68-N88 VanDerWaalsContact O-CG 3.27Å; G68-N88 PolarHBondContact O-N 3.37Å; G68-N88 PolarHBondContact O-OD1 3.22Å
69	R	80.9	Confident	74.7	Confident	124 Å²	124	68.7 Å²	68.7	47%	0.468	34%	0.343	S	S	.	.	B	Isolated β-bridge	trans	-118	134	176.5	-75.7	-173.6	176.5	174.1	-3.7	111.7	E36 R66 W67 F71 G72	E36-R69 WeakPolarHBondContact OE1-CG 3.36Å; E36-R69 IonicContact OE1-CZ 3.96Å; E36-R69 IonicContact OE1-NE 3.65Å; E36-R69 PolarHBondContact OE1-NE 2.96Å; E36-R69 IonicContact OE1-NH2 3.72Å; R66-R69 VanDerWaalsContact O-O 3.06Å; W67-R69 VanDerWaalsContact C-N 3.31Å; R69-F71 PolarHBondContact O-N 2.92Å; R69-G72 PolarHBondContact O-N 3.48Å
70	G	79.6	Confident	74.6	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	53.5	30.3	174.7	0	0	0	0	0	113.6	G72 L73 L74 Q86 N88	G70-G72 PolarHBondContact O-N 3.34Å; G70-L73 PolarHBondContact O-N 3.26Å; G70-L74 WeakPolarHBondContact O-CB 3.49Å; G70-L74 WeakPolarHBondContact O-CG 3Å; G70-L74 PolarHBondContact O-N 3.48Å; G70-Q86 PolarHBondContact N-O 2.93Å; G70-N88 PolarHBondContact N-OD1 2.83Å
71	F	81.9	Confident	74.6	Confident	56 Å²	56	77.4 Å²	77.4	25%	0.246	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	55.2	18.5	-174	-53	-90.3	0	0	0	114	R69 L73 L74 N88 Y91 Y127 L128	R69-F71 PolarHBondContact O-N 2.92Å; F71-L73 PolarHBondContact O-N 3.2Å; F71-L74 HydrophobicContact CD2-CD1 4.29Å; F71-N88 PolarHBondContact N-OD1 3.19Å; F71-Y91 AromaticContact CE2-CD2 3.7Å; F71-Y91 HydrophobicContact CE2-CD2 3.7Å; F71-Y91 HydrophobicContact CE2-CE2 4.15Å; F71-Y91 AromaticContact CE2-CG 3.97Å; F71-Y91 HydrophobicContact CE2-CG 3.97Å; F71-Y91 HydrophobicContact CZ-CD2 4.27Å; F71-Y91 HydrophobicContact CZ-CG 4.28Å; F71-Y127 HydrophobicContact CB-CE1 4.45Å; F71-L128 HydrophobicContact CD1-CD1 3.89Å; F71-L128 HydrophobicContact CD1-CD2 4.25Å; F71-L128 HydrophobicContact CD1-CG 4.22Å; F71-L128 HydrophobicContact CE1-CD1 4.02Å
72	G	78.9	Confident	74.8	Confident	17 Å²	17	78.2 Å²	78.2	18%	0.175	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	64.1	8.5	-171.3	0	0	0	0	0	115.4	R66 R69 G70	R66-G72 WeakPolarHBondContact O-CA 3.38Å; R66-G72 PolarHBondContact O-N 3.43Å; R69-G72 PolarHBondContact O-N 3.48Å; G70-G72 PolarHBondContact O-N 3.34Å
73	L	80.8	Confident	75.2	Confident	80 Å²	80	81 Å²	81	42%	0.419	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.1	-42.5	-177.1	-64.4	172.3	0	0	0	111.6	G70 F71 G75 S76 I77 Y127	G70-L73 PolarHBondContact O-N 3.26Å; F71-L73 PolarHBondContact O-N 3.2Å; L73-G75 VanDerWaalsContact C-N 3.33Å; L73-G75 PolarHBondContact O-N 3.24Å; L73-S76 WeakPolarHBondContact O-CB 3.39Å; L73-S76 PolarHBondContact O-N 3.48Å; L73-I77 HydrophobicContact CB-CD1 4.5Å; L73-I77 WeakPolarHBondContact O-CG1 3.26Å; L73-I77 PolarHBondContact O-N 3.36Å; L73-I77 VanDerWaalsContact O-N 3.13Å; L73-Y127 HydrophobicContact CD1-CE1 4.14Å
74	L	78.1	Confident	76.2	Confident	34 Å²	34	79.4 Å²	79.4	18%	0.178	41%	0.409	C	S	.	.	H	α-helix	trans	-64.7	-35.3	-172	-63.3	-179.1	0	0	0	112.6	G70 F71 S76 I77 F78 L84 Y91	G70-L74 WeakPolarHBondContact O-CB 3.49Å; G70-L74 WeakPolarHBondContact O-CG 3Å; G70-L74 PolarHBondContact O-N 3.48Å; F71-L74 HydrophobicContact CD2-CD1 4.29Å; L74-S76 VanDerWaalsContact C-N 3.27Å; L74-S76 PolarHBondContact O-N 3.47Å; L74-I77 PolarHBondContact O-N 3.36Å; L74-F78 HydrophobicContact CB-CD2 4.4Å; L74-F78 HydrophobicContact CD2-CD2 3.81Å; L74-F78 HydrophobicContact CD2-CE2 3.72Å; L74-F78 WeakPolarHBondContact O-CB 3.44Å; L74-F78 PolarHBondContact O-N 3.05Å; L74-L84 VanDerWaalsContact CD1-O 3.3Å; L74-L84 WeakPolarHBondContact CD1-O 3.37Å; L74-Y91 HydrophobicContact CD1-CE2 4.01Å; L74-Y91 WeakPolarHBondContact CD1-OH 3.46Å
75	G	75.4	Confident	77.3	Confident	11 Å²	11	69.9 Å²	69.9	11%	0.113	38%	0.375	C	S	.	.	H	α-helix	trans	-63.2	-32.1	173.6	0	0	0	0	0	113.4	L73 G79	L73-G75 VanDerWaalsContact C-N 3.33Å; L73-G75 PolarHBondContact O-N 3.24Å; G75-G79 CarbonylContact O-C 3.29Å; G75-G79 VanDerWaalsContact O-C 3.29Å; G75-G79 WeakPolarHBondContact O-CA 3.39Å; G75-G79 PolarHBondContact O-N 3.23Å
76	S	75.9	Confident	78.3	Confident	110 Å²	110	73 Å²	73	77%	0.769	39%	0.388	S	S	*	.	H	α-helix	trans	-79.6	-26.9	177.3	-170.6	0	0	0	0	113.3	L73 L74	L73-S76 WeakPolarHBondContact O-CB 3.39Å; L73-S76 PolarHBondContact O-N 3.48Å; L74-S76 VanDerWaalsContact C-N 3.27Å; L74-S76 PolarHBondContact O-N 3.47Å
77	I	80.5	Confident	78.9	Confident	115 Å²	115	64.8 Å²	64.8	59%	0.59	36%	0.358	S	S	*	.	H	α-helix	trans	-92.6	-44.9	-176.4	-63	169.7	0	0	0	111	L73 L74	L73-I77 HydrophobicContact CB-CD1 4.5Å; L73-I77 WeakPolarHBondContact O-CG1 3.26Å; L73-I77 PolarHBondContact O-N 3.36Å; L73-I77 VanDerWaalsContact O-N 3.13Å; L74-I77 PolarHBondContact O-N 3.36Å
78	F	78.4	Confident	79.5	Confident	113 Å²	113	63 Å²	63	50%	0.496	35%	0.353	S	S	.	.	H	α-helix	trans	-107.2	-5.3	-172.3	-63.6	-77.5	0	0	0	113.6	L74 S82 L84	L74-F78 HydrophobicContact CB-CD2 4.4Å; L74-F78 HydrophobicContact CD2-CD2 3.81Å; L74-F78 HydrophobicContact CD2-CE2 3.72Å; L74-F78 WeakPolarHBondContact O-CB 3.44Å; L74-F78 PolarHBondContact O-N 3.05Å; F78-S82 WeakPolarHBondContact O-CB 3.16Å; F78-L84 HydrophobicContact CD1-CD1 4.02Å; F78-L84 HydrophobicContact CD2-CD1 4.16Å; F78-L84 HydrophobicContact CE1-CD1 4.21Å; F78-L84 HydrophobicContact CE2-CD1 4.35Å; F78-L84 HydrophobicContact CG-CD1 3.99Å; F78-L84 HydrophobicContact CZ-CD1 4.37Å
79	G	75.9	Confident	80.2	Confident	32 Å²	32	63.2 Å²	63.2	33%	0.33	35%	0.354	S	S	.	.			trans	92.6	150	-176.1	0	0	0	0	0	113	G75 D81 S82	G75-G79 CarbonylContact O-C 3.29Å; G75-G79 VanDerWaalsContact O-C 3.29Å; G75-G79 WeakPolarHBondContact O-CA 3.39Å; G75-G79 PolarHBondContact O-N 3.23Å; G79-D81 VanDerWaalsContact C-N 3.29Å; G79-D81 PolarHBondContact O-N 2.84Å; G79-S82 WeakPolarHBondContact O-CB 3.35Å; G79-S82 PolarHBondContact O-N 3.32Å
80	N	73.3	Confident	80.7	Confident	120 Å²	120	59 Å²	59	64%	0.642	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-28.8	-175.2	-70.7	-39.7	0	0	0	113.4	S82 N85	N80-S82 VanDerWaalsContact C-N 3.3Å; N80-N85 PolarHBondContact O-ND2 3.19Å
81	D	75.8	Confident	81.3	Confident	170 Å²	170	61.9 Å²	61.9	91%	0.909	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	1.8	178.2	-57.7	-47.2	0	0	0	113.1	G79	G79-D81 VanDerWaalsContact C-N 3.29Å; G79-D81 PolarHBondContact O-N 2.84Å
82	S	76.2	Confident	81.9	Confident	35 Å²	35	60 Å²	60	25%	0.245	35%	0.35	C	S	.	.	S	Bend	trans	-66.1	140.4	178.7	-173.6	0	0	0	0	111.1	F78 G79 N80 L84 N85	F78-S82 WeakPolarHBondContact O-CB 3.16Å; G79-S82 WeakPolarHBondContact O-CB 3.35Å; G79-S82 PolarHBondContact O-N 3.32Å; N80-S82 VanDerWaalsContact C-N 3.3Å; S82-L84 PolarHBondContact O-N 3.44Å; S82-L84 PolarHBondContact OG-N 2.93Å; S82-N85 PolarHBondContact O-N 2.85Å
83	A	80.3	Confident	82.7	Confident	81 Å²	81	61.2 Å²	61.2	67%	0.669	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-18.2	172.3	0	0	0	0	0	113	Q86	A83-Q86 VanDerWaalsContact O-CG 3.22Å; A83-Q86 WeakPolarHBondContact O-CG 3.33Å; A83-Q86 PolarHBondContact O-NE2 3.42Å; A83-Q86 VanDerWaalsContact O-NE2 3.1Å
84	L	78.3	Confident	83.3	Confident	79 Å²	79	61.5 Å²	61.5	41%	0.414	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-11.6	174.9	-62.4	176.4	0	0	0	113.5	L74 F78 S82 Q86 Y91	L74-L84 VanDerWaalsContact CD1-O 3.3Å; L74-L84 WeakPolarHBondContact CD1-O 3.37Å; F78-L84 HydrophobicContact CD1-CD1 4.02Å; F78-L84 HydrophobicContact CD2-CD1 4.16Å; F78-L84 HydrophobicContact CE1-CD1 4.21Å; F78-L84 HydrophobicContact CE2-CD1 4.35Å; F78-L84 HydrophobicContact CG-CD1 3.99Å; F78-L84 HydrophobicContact CZ-CD1 4.37Å; S82-L84 PolarHBondContact O-N 3.44Å; S82-L84 PolarHBondContact OG-N 2.93Å; L84-Q86 PolarHBondContact O-N 2.88Å; L84-Y91 PolarHBondContact O-OH 2.9Å
85	N	83	Confident	84.2	Confident	32 Å²	32	61.3 Å²	61.3	17%	0.171	35%	0.351	C	S	.	.			trans	-85.9	58.5	176.9	-168	27.3	0	0	0	111.5	N80 S82	N80-N85 PolarHBondContact O-ND2 3.19Å; S82-N85 PolarHBondContact O-N 2.85Å
86	Q	86.1	Confident	85.2	Confident	80 Å²	80	60.9 Å²	60.9	37%	0.374	35%	0.346	S	S	.	.			trans	-93.3	158.8	-179.8	-63.7	-60.9	-25.3	0	0	111.9	G70 A83 L84 V90 Y91	G70-Q86 PolarHBondContact N-O 2.93Å; A83-Q86 VanDerWaalsContact O-CG 3.22Å; A83-Q86 WeakPolarHBondContact O-CG 3.33Å; A83-Q86 PolarHBondContact O-NE2 3.42Å; A83-Q86 VanDerWaalsContact O-NE2 3.1Å; L84-Q86 PolarHBondContact O-N 2.88Å; Q86-V90 HydrophobicContact CB-CB 4.28Å; Q86-V90 HydrophobicContact CB-CG1 4.4Å; Q86-Y91 HydrophobicContact CB-CE2 4.05Å
87	P	86.1	Confident	86.2	Confident	8 Å²	8	57.2 Å²	57.2	5%	0.052	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-46.7	139	166.3	-32.1	39.8	0	0	0	113.1	F33 E36 S89 V90	F33-P87 HydrophobicContact CD2-CB 4.22Å; F33-P87 HydrophobicContact CD2-CG 4.2Å; F33-P87 HydrophobicContact CE2-CG 4.09Å; E36-P87 WeakPolarHBondContact OE1-CG 3.35Å; E36-P87 VanDerWaalsContact OE2-CB 3.3Å; E36-P87 WeakPolarHBondContact OE2-CB 3.28Å; P87-S89 VanDerWaalsContact CB-OG 3.3Å; P87-S89 WeakPolarHBondContact CB-OG 3.37Å; P87-S89 PolarHBondContact O-N 3.47Å; P87-S89 VanDerWaalsContact O-N 3.14Å; P87-V90 HydrophobicContact CB-CG2 4.05Å; P87-V90 HydrophobicContact CG-CG2 4.27Å; P87-V90 WeakPolarHBondContact O-CB 3.2Å; P87-V90 PolarHBondContact O-N 3Å
88	N	89.5	Confident	86.8	Confident	23 Å²	23	57.3 Å²	57.3	12%	0.123	32%	0.319	C	S	.	.	H	α-helix	trans	-58.3	-30.7	176.4	-66.4	-4.8	0	0	0	111.8	W67 G68 G70 F71 V90 Y91 G92	W67-N88 PolarHBondContact O-ND2 3.29Å; G68-N88 VanDerWaalsContact O-CG 3.27Å; G68-N88 PolarHBondContact O-N 3.37Å; G68-N88 PolarHBondContact O-OD1 3.22Å; G70-N88 PolarHBondContact N-OD1 2.83Å; F71-N88 PolarHBondContact N-OD1 3.19Å; N88-V90 VanDerWaalsContact C-N 3.3Å; N88-V90 PolarHBondContact O-N 3.08Å; N88-Y91 WeakPolarHBondContact O-CB 3.42Å; N88-Y91 PolarHBondContact O-N 3.44Å; N88-G92 PolarHBondContact O-N 2.95Å
89	S	89.6	Confident	87.6	Confident	7 Å²	7	52 Å²	52	5%	0.049	30%	0.295	C	S	.	.	H	α-helix	trans	-59.8	-36.1	174.7	49.8	0	0	0	0	112.9	S29 F33 P87 G92 I93	S29-S89 WeakPolarHBondContact O-CB 3.47Å; F33-S89 WeakPolarHBondContact CA-OG 3.33Å; F33-S89 WeakPolarHBondContact CB-OG 3.44Å; P87-S89 VanDerWaalsContact CB-OG 3.3Å; P87-S89 WeakPolarHBondContact CB-OG 3.37Å; P87-S89 PolarHBondContact O-N 3.47Å; P87-S89 VanDerWaalsContact O-N 3.14Å; S89-G92 PolarHBondContact O-N 3.47Å; S89-I93 WeakPolarHBondContact O-CG1 3.49Å; S89-I93 PolarHBondContact O-N 3.28Å
90	V	91.8	Very high	88.5	Confident	37 Å²	37	52.2 Å²	52.2	22%	0.224	29%	0.289	C	S	.	.	H	α-helix	trans	-65.5	-43.4	175.6	174.2	0	0	0	0	110.7	F33 Q86 P87 N88 G92 I93 L94	F33-V90 HydrophobicContact CD2-CG2 3.88Å; F33-V90 HydrophobicContact CE2-CG2 3.89Å; Q86-V90 HydrophobicContact CB-CB 4.28Å; Q86-V90 HydrophobicContact CB-CG1 4.4Å; P87-V90 HydrophobicContact CB-CG2 4.05Å; P87-V90 HydrophobicContact CG-CG2 4.27Å; P87-V90 WeakPolarHBondContact O-CB 3.2Å; P87-V90 PolarHBondContact O-N 3Å; N88-V90 VanDerWaalsContact C-N 3.3Å; N88-V90 PolarHBondContact O-N 3.08Å; V90-G92 VanDerWaalsContact C-N 3.27Å; V90-G92 PolarHBondContact O-N 2.69Å; V90-I93 PolarHBondContact O-N 2.93Å; V90-L94 HydrophobicContact CG1-CD1 4.37Å; V90-L94 WeakPolarHBondContact O-CG 3.35Å; V90-L94 PolarHBondContact O-N 2.89Å
91	Y	92.3	Very high	89.4	Confident	60 Å²	60	52.2 Å²	52.2	24%	0.235	29%	0.288	C	S	.	.	H	α-helix	trans	-61.1	-37.6	173.3	-70.5	-68.7	0	0	0	112.2	F71 L74 L84 Q86 N88 F95	F71-Y91 AromaticContact CE2-CD2 3.7Å; F71-Y91 HydrophobicContact CE2-CD2 3.7Å; F71-Y91 HydrophobicContact CE2-CE2 4.15Å; F71-Y91 AromaticContact CE2-CG 3.97Å; F71-Y91 HydrophobicContact CE2-CG 3.97Å; F71-Y91 HydrophobicContact CZ-CD2 4.27Å; F71-Y91 HydrophobicContact CZ-CG 4.28Å; L74-Y91 HydrophobicContact CD1-CE2 4.01Å; L74-Y91 WeakPolarHBondContact CD1-OH 3.46Å; L84-Y91 PolarHBondContact O-OH 2.9Å; Q86-Y91 HydrophobicContact CB-CE2 4.05Å; N88-Y91 WeakPolarHBondContact O-CB 3.42Å; N88-Y91 PolarHBondContact O-N 3.44Å; Y91-F95 VanDerWaalsContact O-CB 3.22Å; Y91-F95 WeakPolarHBondContact O-CB 3.34Å; Y91-F95 PolarHBondContact O-N 3.37Å
92	G	93.6	Very high	90.1	Very high	16 Å²	16	46.8 Å²	46.8	17%	0.165	26%	0.259	C	S	.	.	H	α-helix	trans	-59.1	-51.9	172.1	0	0	0	0	0	112.5	N88 S89 V90 L94 F95 Y96	N88-G92 PolarHBondContact O-N 2.95Å; S89-G92 PolarHBondContact O-N 3.47Å; V90-G92 VanDerWaalsContact C-N 3.27Å; V90-G92 PolarHBondContact O-N 2.69Å; G92-L94 VanDerWaalsContact C-N 3.33Å; G92-L94 PolarHBondContact O-N 3.45Å; G92-F95 PolarHBondContact O-N 2.96Å; G92-Y96 WeakPolarHBondContact O-CD2 3.1Å; G92-Y96 PolarHBondContact O-N 3.41Å
93	I	94.9	Very high	90.7	Very high	43 Å²	43	45.1 Å²	45.1	22%	0.221	25%	0.247	C	C	.	.	H	α-helix	trans	-55.5	-49.8	178.1	-64.1	166.1	0	0	0	110.5	L30 S89 V90 F95 Y96 A97	L30-I93 HydrophobicContact CD2-CD1 3.65Å; L30-I93 HydrophobicContact CD2-CG1 4.39Å; L30-I93 HydrophobicContact CG-CD1 4.15Å; L30-I93 HydrophobicContact CG-CG1 4.43Å; S89-I93 WeakPolarHBondContact O-CG1 3.49Å; S89-I93 PolarHBondContact O-N 3.28Å; V90-I93 PolarHBondContact O-N 2.93Å; I93-F95 PolarHBondContact O-N 3.47Å; I93-Y96 PolarHBondContact O-N 2.88Å; I93-A97 VanDerWaalsContact O-CB 3.27Å; I93-A97 WeakPolarHBondContact O-CB 3.48Å; I93-A97 PolarHBondContact O-N 3.31Å
94	L	95	Very high	90.9	Very high	85 Å²	85	46.3 Å²	46.3	45%	0.445	24%	0.24	S	C	.	.	H	α-helix	trans	-60.8	-46.6	179	-68.8	176.3	0	0	0	111.3	V90 G92 A97 F98	V90-L94 HydrophobicContact CG1-CD1 4.37Å; V90-L94 WeakPolarHBondContact O-CG 3.35Å; V90-L94 PolarHBondContact O-N 2.89Å; G92-L94 VanDerWaalsContact C-N 3.33Å; G92-L94 PolarHBondContact O-N 3.45Å; L94-A97 PolarHBondContact O-N 3.38Å; L94-F98 HydrophobicContact CB-CD2 4.42Å; L94-F98 HydrophobicContact CB-CE2 4.38Å; L94-F98 WeakPolarHBondContact O-CB 3.45Å; L94-F98 WeakPolarHBondContact O-CD2 3.44Å; L94-F98 PolarHBondContact O-N 3.15Å
95	F	96.4	Very high	91.2	Very high	30 Å²	30	45.2 Å²	45.2	13%	0.132	24%	0.237	C	C	.	.	H	α-helix	trans	-57.6	-52.5	178.7	167.9	-105.3	0	0	0	112.1	Y91 G92 I93 A97 F98 Q99 S121 N150 L153	Y91-F95 VanDerWaalsContact O-CB 3.22Å; Y91-F95 WeakPolarHBondContact O-CB 3.34Å; Y91-F95 PolarHBondContact O-N 3.37Å; G92-F95 PolarHBondContact O-N 2.96Å; I93-F95 PolarHBondContact O-N 3.47Å; F95-A97 VanDerWaalsContact C-N 3.34Å; F95-A97 PolarHBondContact O-N 2.84Å; F95-F98 PolarHBondContact O-N 3.2Å; F95-Q99 HydrophobicContact CD2-CG 3.98Å; F95-Q99 HydrophobicContact CE1-CG 4.16Å; F95-Q99 HydrophobicContact CE2-CG 3.58Å; F95-Q99 HydrophobicContact CG-CG 4.44Å; F95-Q99 HydrophobicContact CZ-CG 3.69Å; F95-Q99 WeakPolarHBondContact O-CB 3.36Å; F95-Q99 VanDerWaalsContact O-CG 3.23Å; F95-Q99 WeakPolarHBondContact O-CG 3.43Å; F95-Q99 PolarHBondContact O-N 3.22Å; F95-S121 WeakPolarHBondContact CZ-OG 3.44Å; F95-N150 VanDerWaalsContact CE1-OD1 3.26Å; F95-N150 WeakPolarHBondContact CE1-OD1 3.27Å; F95-L153 HydrophobicContact CE1-CD1 3.76Å; F95-L153 HydrophobicContact CZ-CD1 4.07Å
96	Y	96.8	Very high	91	Very high	3 Å²	3	45.8 Å²	45.8	1%	0.012	24%	0.241	C	C	.	.	H	α-helix	trans	-67.1	-34.9	-178.9	-69.5	-65.6	0	0	0	112.3	G25 G92 I93 Q99 L100 T146 L149 N150 L153	G25-Y96 VanDerWaalsContact CA-CE2 3.45Å; G92-Y96 WeakPolarHBondContact O-CD2 3.1Å; G92-Y96 PolarHBondContact O-N 3.41Å; I93-Y96 PolarHBondContact O-N 2.88Å; Y96-Q99 PolarHBondContact O-N 3.48Å; Y96-L100 WeakPolarHBondContact O-CB 3.5Å; Y96-L100 PolarHBondContact O-N 2.93Å; Y96-T146 PolarHBondContact OH-O 2.91Å; Y96-L149 HydrophobicContact CE1-CB 4.4Å; Y96-N150 PolarHBondContact OH-OD1 3.3Å; Y96-L153 HydrophobicContact CD1-CD1 3.67Å; Y96-L153 HydrophobicContact CE1-CD1 3.59Å
97	A	95.4	Very high	90.9	Very high	33 Å²	33	44.3 Å²	44.3	27%	0.273	24%	0.24	S	C	.	.	H	α-helix	trans	-63.7	-47.2	173.2	0	0	0	0	0	111.5	I93 L94 F95 Q99 L100 L101	I93-A97 VanDerWaalsContact O-CB 3.27Å; I93-A97 WeakPolarHBondContact O-CB 3.48Å; I93-A97 PolarHBondContact O-N 3.31Å; L94-A97 PolarHBondContact O-N 3.38Å; F95-A97 VanDerWaalsContact C-N 3.34Å; F95-A97 PolarHBondContact O-N 2.84Å; A97-Q99 PolarHBondContact O-N 3.11Å; A97-L100 PolarHBondContact O-N 3.47Å; A97-L101 WeakPolarHBondContact O-CB 3.44Å; A97-L101 VanDerWaalsContact O-CG 3.29Å; A97-L101 WeakPolarHBondContact O-CG 3.45Å; A97-L101 PolarHBondContact O-N 3.1Å
98	F	94.3	Very high	90.6	Very high	117 Å²	117	46.2 Å²	46.2	51%	0.513	26%	0.256	S	S	.	.	H	α-helix	trans	-61.8	-43	175.7	-79.7	-58.5	0	0	0	112.1	L94 F95 L100 L101 L102	L94-F98 HydrophobicContact CB-CD2 4.42Å; L94-F98 HydrophobicContact CB-CE2 4.38Å; L94-F98 WeakPolarHBondContact O-CB 3.45Å; L94-F98 WeakPolarHBondContact O-CD2 3.44Å; L94-F98 PolarHBondContact O-N 3.15Å; F95-F98 PolarHBondContact O-N 3.2Å; F98-L100 VanDerWaalsContact C-N 3.29Å; F98-L100 PolarHBondContact O-N 2.95Å; F98-L101 PolarHBondContact O-N 3.02Å; F98-L102 WeakPolarHBondContact O-CB 3.38Å; F98-L102 PolarHBondContact O-N 2.96Å
99	Q	95.2	Very high	90.5	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-61.3	-37.4	177.1	-75.7	-75.7	-21.2	0	0	112.6	R18 F95 Y96 A97 G103 L114 T117 L153 N157	R18-Q99 PolarHBondContact NH1-O 3.41Å; F95-Q99 HydrophobicContact CD2-CG 3.98Å; F95-Q99 HydrophobicContact CE1-CG 4.16Å; F95-Q99 HydrophobicContact CE2-CG 3.58Å; F95-Q99 HydrophobicContact CG-CG 4.44Å; F95-Q99 HydrophobicContact CZ-CG 3.69Å; F95-Q99 WeakPolarHBondContact O-CB 3.36Å; F95-Q99 VanDerWaalsContact O-CG 3.23Å; F95-Q99 WeakPolarHBondContact O-CG 3.43Å; F95-Q99 PolarHBondContact O-N 3.22Å; Y96-Q99 PolarHBondContact O-N 3.48Å; A97-Q99 PolarHBondContact O-N 3.11Å; Q99-G103 WeakPolarHBondContact O-CA 3.47Å; Q99-G103 PolarHBondContact O-N 2.66Å; Q99-G103 VanDerWaalsContact O-N 3.07Å; Q99-L114 HydrophobicContact CB-CD2 4.4Å; Q99-L114 HydrophobicContact CG-CD2 4.43Å; Q99-L114 PolarHBondContact NE2-O 3.42Å; Q99-T117 PolarHBondContact NE2-OG1 2.99Å; Q99-L153 HydrophobicContact CB-CD1 4.43Å; Q99-L153 HydrophobicContact CG-CD1 4.32Å; Q99-N157 PolarHBondContact NE2-ND2 3.24Å; Q99-N157 PolarHBondContact OE1-ND2 3.45Å; Q99-N157 PolarHBondContact OE1-OD1 2.87Å
100	L	94.1	Very high	90.4	Very high	38 Å²	38	51.3 Å²	51.3	20%	0.199	28%	0.281	C	S	.	.	H	α-helix	trans	-70.4	-53.3	176.2	-174.5	61.2	0	0	0	111.1	L19 C22 Y96 A97 F98 G103 M104	L19-L100 HydrophobicContact CB-CD1 4.43Å; C22-L100 HydrophobicContact CB-CB 3.99Å; C22-L100 HydrophobicContact CB-CD1 4.21Å; C22-L100 HydrophobicContact CB-CG 4.5Å; Y96-L100 WeakPolarHBondContact O-CB 3.5Å; Y96-L100 PolarHBondContact O-N 2.93Å; A97-L100 PolarHBondContact O-N 3.47Å; F98-L100 VanDerWaalsContact C-N 3.29Å; F98-L100 PolarHBondContact O-N 2.95Å; L100-G103 PolarHBondContact O-N 3.1Å; L100-M104 WeakPolarHBondContact O-CG 3.44Å; L100-M104 PolarHBondContact O-N 2.77Å
101	L	92.8	Very high	90.3	Very high	119 Å²	119	49.6 Å²	49.6	62%	0.623	27%	0.271	S	S	*	.	H	α-helix	trans	-61.4	-51.5	-176.3	-68.8	173.6	0	0	0	112	A97 F98 G103 M104	A97-L101 WeakPolarHBondContact O-CB 3.44Å; A97-L101 VanDerWaalsContact O-CG 3.29Å; A97-L101 WeakPolarHBondContact O-CG 3.45Å; A97-L101 PolarHBondContact O-N 3.1Å; F98-L101 PolarHBondContact O-N 3.02Å; L101-G103 VanDerWaalsContact C-N 3.29Å; L101-G103 PolarHBondContact O-N 3.44Å; L101-M104 PolarHBondContact O-N 2.88Å
102	L	91.1	Very high	90.2	Very high	56 Å²	56	50.8 Å²	50.8	29%	0.293	28%	0.281	S	S	.	.	H	α-helix	trans	-69.7	-30.7	178.8	-65.8	179.6	0	0	0	111.6	F98 M104 T105 F113 L114	F98-L102 WeakPolarHBondContact O-CB 3.38Å; F98-L102 PolarHBondContact O-N 2.96Å; L102-M104 PolarHBondContact O-N 3Å; L102-T105 PolarHBondContact O-N 3.49Å; L102-T105 PolarHBondContact O-OG1 3.47Å; L102-F113 HydrophobicContact CD1-CB 4.17Å; L102-L114 HydrophobicContact CB-CD1 4.27Å; L102-L114 HydrophobicContact CB-CD2 3.74Å; L102-L114 HydrophobicContact CB-CG 3.93Å
103	G	87.8	Confident	90.2	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-62	-21.9	176.4	0	0	0	0	0	114.3	Q99 L100 L101 T105 R160	Q99-G103 WeakPolarHBondContact O-CA 3.47Å; Q99-G103 PolarHBondContact O-N 2.66Å; Q99-G103 VanDerWaalsContact O-N 3.07Å; L100-G103 PolarHBondContact O-N 3.1Å; L101-G103 VanDerWaalsContact C-N 3.29Å; L101-G103 PolarHBondContact O-N 3.44Å; G103-T105 VanDerWaalsContact C-N 3.34Å; G103-R160 VanDerWaalsContact O-CZ 3.23Å; G103-R160 PolarHBondContact O-NH1 2.88Å; G103-R160 PolarHBondContact O-NH2 3.33Å
104	M	85.3	Confident	90.2	Very high	106 Å²	106	54.3 Å²	54.3	52%	0.522	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-13.6	174.1	-61	-56	-75.6	0	0	113.2	L100 L101 L102	L100-M104 WeakPolarHBondContact O-CG 3.44Å; L100-M104 PolarHBondContact O-N 2.77Å; L101-M104 PolarHBondContact O-N 2.88Å; L102-M104 PolarHBondContact O-N 3Å
105	T	85.1	Confident	90.2	Very high	56 Å²	56	51.3 Å²	51.3	34%	0.344	28%	0.275	S	S	.	.	S	Bend	trans	-95.6	136.3	-175.4	71	0	0	0	0	112.5	L102 G103 S107 A110 R160	L102-T105 PolarHBondContact O-N 3.49Å; L102-T105 PolarHBondContact O-OG1 3.47Å; G103-T105 VanDerWaalsContact C-N 3.34Å; T105-S107 PolarHBondContact O-N 3.46Å; T105-A110 WeakPolarHBondContact OG1-CB 3.5Å; T105-R160 PolarHBondContact O-NH2 2.66Å
106	V	78.5	Confident	90.1	Very high	45 Å²	45	53.6 Å²	53.6	27%	0.273	29%	0.291	S	S	.	.			trans	-94.4	74.9	176.5	-171.8	0	0	0	0	109.1	V8 L164	V8-V106 VanDerWaalsContact O-CG1 3.23Å; V8-V106 WeakPolarHBondContact O-CG1 3.41Å; V106-L164 HydrophobicContact CG1-CD2 4.4Å
107	S	82.4	Confident	90	Very high	49 Å²	49	55.8 Å²	55.8	34%	0.343	31%	0.305	S	S	.	.			trans	-134	136	178.5	171.8	0	0	0	0	110.8	T105 M109 A110 A111	T105-S107 PolarHBondContact O-N 3.46Å; S107-M109 VanDerWaalsContact C-N 3.3Å; S107-M109 PolarHBondContact O-N 3.23Å; S107-M109 PolarHBondContact OG-N 2.94Å; S107-A110 WeakPolarHBondContact O-CB 3.29Å; S107-A110 PolarHBondContact O-N 2.98Å; S107-A110 PolarHBondContact OG-N 3.48Å; S107-A111 PolarHBondContact O-N 3.21Å
108	A	81.6	Confident	90	Very high	48 Å²	48	54.2 Å²	54.2	40%	0.397	29%	0.292	S	S	.	.	H	α-helix	trans	-61.7	-40.2	175.2	0	0	0	0	0	111.3	A110 A111 L112	A108-A110 VanDerWaalsContact C-N 3.34Å; A108-A110 PolarHBondContact O-N 3.41Å; A108-A111 PolarHBondContact O-N 3.32Å; A108-L112 WeakPolarHBondContact O-CG 3.36Å; A108-L112 PolarHBondContact O-N 2.92Å
109	M	86.1	Confident	90.1	Very high	129 Å²	129	52.2 Å²	52.2	64%	0.635	29%	0.286	S	S	*	.	H	α-helix	trans	-62.5	-42.9	174.5	-71.7	-58.5	-153.4	0	0	111.4	S107 A111 L112 F113	S107-M109 VanDerWaalsContact C-N 3.3Å; S107-M109 PolarHBondContact O-N 3.23Å; S107-M109 PolarHBondContact OG-N 2.94Å; M109-A111 VanDerWaalsContact C-N 3.32Å; M109-A111 PolarHBondContact O-N 2.99Å; M109-L112 PolarHBondContact O-N 3Å; M109-L112 HydrophobicContact SD-CD1 4.2Å; M109-F113 WeakPolarHBondContact O-CD2 3.13Å; M109-F113 PolarHBondContact O-N 2.9Å
110	A	88.9	Confident	90.1	Very high	7 Å²	7	57.9 Å²	57.9	6%	0.058	32%	0.315	C	S	.	.	H	α-helix	trans	-61.7	-41	175.8	0	0	0	0	0	111.6	T105 S107 A108 L112 F113 L114	T105-A110 WeakPolarHBondContact OG1-CB 3.5Å; S107-A110 WeakPolarHBondContact O-CB 3.29Å; S107-A110 PolarHBondContact O-N 2.98Å; S107-A110 PolarHBondContact OG-N 3.48Å; A108-A110 VanDerWaalsContact C-N 3.34Å; A108-A110 PolarHBondContact O-N 3.41Å; A110-L112 VanDerWaalsContact C-N 3.35Å; A110-L112 PolarHBondContact O-N 3.22Å; A110-F113 PolarHBondContact O-N 3.02Å; A110-L114 WeakPolarHBondContact O-CB 3.22Å; A110-L114 WeakPolarHBondContact O-CG 3.46Å; A110-L114 PolarHBondContact O-N 2.91Å
111	A	88.7	Confident	90.2	Very high	2 Å²	2	56.9 Å²	56.9	2%	0.017	31%	0.312	C	S	.	.	H	α-helix	trans	-63.1	-38.3	176	0	0	0	0	0	112.9	S107 A108 M109 M115 L161 L164	S107-A111 PolarHBondContact O-N 3.21Å; A108-A111 PolarHBondContact O-N 3.32Å; M109-A111 VanDerWaalsContact C-N 3.32Å; M109-A111 PolarHBondContact O-N 2.99Å; A111-M115 WeakPolarHBondContact O-CB 3.18Å; A111-M115 PolarHBondContact O-N 3.36Å; A111-L161 HydrophobicContact CB-CD1 4.13Å; A111-L164 HydrophobicContact CB-CD1 3.57Å
112	L	90.5	Very high	90.3	Very high	85 Å²	85	52.5 Å²	52.5	45%	0.445	29%	0.29	S	S	.	.	H	α-helix	trans	-63.7	-48.3	173.4	-70.4	172.7	0	0	0	111.6	A108 M109 A110 L114 M115 T116 L161	A108-L112 WeakPolarHBondContact O-CG 3.36Å; A108-L112 PolarHBondContact O-N 2.92Å; M109-L112 PolarHBondContact O-N 3Å; M109-L112 HydrophobicContact SD-CD1 4.2Å; A110-L112 VanDerWaalsContact C-N 3.35Å; A110-L112 PolarHBondContact O-N 3.22Å; L112-L114 PolarHBondContact O-N 2.67Å; L112-M115 PolarHBondContact O-N 2.73Å; L112-T116 PolarHBondContact O-N 3.23Å; L112-T116 PolarHBondContact O-OG1 3.5Å; L112-T116 VanDerWaalsContact O-OG1 3.07Å; L112-L161 HydrophobicContact CD2-CD1 3.81Å; L112-L161 HydrophobicContact CD2-CD2 4.37Å; L112-L161 HydrophobicContact CG-CD1 4.3Å
113	F	93.1	Very high	90.6	Very high	132 Å²	132	54 Å²	54	58%	0.579	30%	0.301	S	S	*	.	H	α-helix	trans	-60.6	-43	176.3	-80.9	-69.2	0	0	0	112.5	L102 M109 A110 M115 T116 T117	L102-F113 HydrophobicContact CD1-CB 4.17Å; M109-F113 WeakPolarHBondContact O-CD2 3.13Å; M109-F113 PolarHBondContact O-N 2.9Å; A110-F113 PolarHBondContact O-N 3.02Å; F113-M115 VanDerWaalsContact C-N 3.33Å; F113-M115 PolarHBondContact O-N 3.4Å; F113-T116 PolarHBondContact O-N 3.41Å; F113-T117 WeakPolarHBondContact O-CB 3.46Å; F113-T117 WeakPolarHBondContact O-CG2 3.32Å; F113-T117 PolarHBondContact O-N 2.92Å; F113-T117 PolarHBondContact O-OG1 3.39Å
114	L	94.3	Very high	90.8	Very high	1 Å²	1	55 Å²	55	1%	0.005	31%	0.311	C	S	.	.	H	α-helix	trans	-59.1	-44.6	175.3	-73.6	169.9	0	0	0	111.4	Q99 L102 A110 L112 T117 S118 N157	Q99-L114 HydrophobicContact CB-CD2 4.4Å; Q99-L114 HydrophobicContact CG-CD2 4.43Å; Q99-L114 PolarHBondContact NE2-O 3.42Å; L102-L114 HydrophobicContact CB-CD1 4.27Å; L102-L114 HydrophobicContact CB-CD2 3.74Å; L102-L114 HydrophobicContact CB-CG 3.93Å; A110-L114 WeakPolarHBondContact O-CB 3.22Å; A110-L114 WeakPolarHBondContact O-CG 3.46Å; A110-L114 PolarHBondContact O-N 2.91Å; L112-L114 PolarHBondContact O-N 2.67Å; L114-T117 PolarHBondContact O-OG1 3.09Å; L114-T117 VanDerWaalsContact O-OG1 3.1Å; L114-S118 WeakPolarHBondContact O-CB 3.06Å; L114-S118 PolarHBondContact O-N 3.25Å; L114-S118 PolarHBondContact O-OG 2.9Å; L114-S118 VanDerWaalsContact O-OG 3.1Å; L114-N157 PolarHBondContact O-ND2 3.01Å
115	M	95.1	Very high	91.2	Very high	21 Å²	21	50.5 Å²	50.5	10%	0.103	29%	0.29	C	S	.	.	H	α-helix	trans	-64.9	-52.4	178.5	-173.4	63.2	179.6	0	0	111.3	A111 L112 F113 T117 S118 I119 F154 N157 Y158 L161	A111-M115 WeakPolarHBondContact O-CB 3.18Å; A111-M115 PolarHBondContact O-N 3.36Å; L112-M115 PolarHBondContact O-N 2.73Å; F113-M115 VanDerWaalsContact C-N 3.33Å; F113-M115 PolarHBondContact O-N 3.4Å; M115-T117 PolarHBondContact O-N 2.97Å; M115-S118 WeakPolarHBondContact CA-OG 3.25Å; M115-S118 PolarHBondContact O-N 2.89Å; M115-S118 VanDerWaalsContact O-N 3.09Å; M115-S118 PolarHBondContact O-OG 3.4Å; M115-I119 HydrophobicContact CE-CD1 4.12Å; M115-I119 HydrophobicContact CE-CG1 4.25Å; M115-I119 HydrophobicContact CG-CD1 4.14Å; M115-I119 WeakPolarHBondContact O-CG1 3.47Å; M115-I119 PolarHBondContact O-N 3.42Å; M115-F154 HydrophobicContact CE-CD2 4.04Å; M115-F154 HydrophobicContact CE-CE2 3.31Å; M115-F154 HydrophobicContact CE-CZ 3.84Å; M115-F154 HydrophobicContact SD-CD2 4.28Å; M115-F154 HydrophobicContact SD-CE2 4.13Å; M115-N157 HydrophobicContact SD-CB 4.21Å; M115-Y158 HydrophobicContact CE-CD2 3.85Å; M115-Y158 HydrophobicContact CE-CG 4.48Å; M115-L161 HydrophobicContact CB-CD2 4.09Å; M115-L161 HydrophobicContact CG-CD2 3.89Å
116	T	94.6	Very high	91.7	Very high	78 Å²	78	53.7 Å²	53.7	48%	0.479	30%	0.304	S	S	.	.	H	α-helix	trans	-57.4	-48.6	-179.6	-59.5	0	0	0	0	111.6	L112 F113 S118 I119 L120	L112-T116 PolarHBondContact O-N 3.23Å; L112-T116 PolarHBondContact O-OG1 3.5Å; L112-T116 VanDerWaalsContact O-OG1 3.07Å; F113-T116 PolarHBondContact O-N 3.41Å; T116-S118 VanDerWaalsContact C-N 3.3Å; T116-S118 PolarHBondContact O-N 3.22Å; T116-I119 PolarHBondContact O-N 3.19Å; T116-L120 WeakPolarHBondContact O-CG 3.39Å; T116-L120 PolarHBondContact O-N 3.33Å; T116-L120 VanDerWaalsContact O-N 3.09Å
117	T	94.9	Very high	92.3	Very high	50 Å²	50	54.9 Å²	54.9	31%	0.307	31%	0.305	S	S	.	.	H	α-helix	trans	-64	-35.5	177.7	53.6	0	0	0	0	112.1	Q99 F113 L114 M115 L120 S121	Q99-T117 PolarHBondContact NE2-OG1 2.99Å; F113-T117 WeakPolarHBondContact O-CB 3.46Å; F113-T117 WeakPolarHBondContact O-CG2 3.32Å; F113-T117 PolarHBondContact O-N 2.92Å; F113-T117 PolarHBondContact O-OG1 3.39Å; L114-T117 PolarHBondContact O-OG1 3.09Å; L114-T117 VanDerWaalsContact O-OG1 3.1Å; M115-T117 PolarHBondContact O-N 2.97Å; T117-L120 PolarHBondContact O-N 3.49Å; T117-S121 PolarHBondContact O-N 2.96Å
118	S	95.9	Very high	92.6	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-69.2	-36.2	175.1	65.3	0	0	0	0	113.5	L114 M115 T116 S121 V122 N157	L114-S118 WeakPolarHBondContact O-CB 3.06Å; L114-S118 PolarHBondContact O-N 3.25Å; L114-S118 PolarHBondContact O-OG 2.9Å; L114-S118 VanDerWaalsContact O-OG 3.1Å; M115-S118 WeakPolarHBondContact CA-OG 3.25Å; M115-S118 PolarHBondContact O-N 2.89Å; M115-S118 VanDerWaalsContact O-N 3.09Å; M115-S118 PolarHBondContact O-OG 3.4Å; T116-S118 VanDerWaalsContact C-N 3.3Å; T116-S118 PolarHBondContact O-N 3.22Å; S118-S121 WeakPolarHBondContact CA-OG 3.11Å; S118-S121 PolarHBondContact O-N 3.07Å; S118-S121 PolarHBondContact O-OG 2.56Å; S118-V122 WeakPolarHBondContact O-CG2 2.88Å; S118-V122 PolarHBondContact O-N 2.89Å; S118-N157 WeakPolarHBondContact CB-ND2 3.47Å; S118-N157 PolarHBondContact OG-ND2 2.95Å
119	I	96.4	Very high	93.1	Very high	74 Å²	74	52.3 Å²	52.3	38%	0.379	29%	0.285	S	S	.	.	H	α-helix	trans	-59.4	-49.7	172.3	-69.1	164.3	0	0	0	109.8	M115 T116 S121 V122 V123 F154	M115-I119 HydrophobicContact CE-CD1 4.12Å; M115-I119 HydrophobicContact CE-CG1 4.25Å; M115-I119 HydrophobicContact CG-CD1 4.14Å; M115-I119 WeakPolarHBondContact O-CG1 3.47Å; M115-I119 PolarHBondContact O-N 3.42Å; T116-I119 PolarHBondContact O-N 3.19Å; I119-S121 VanDerWaalsContact C-N 3.26Å; I119-S121 PolarHBondContact O-N 2.89Å; I119-V122 PolarHBondContact O-N 2.89Å; I119-V122 VanDerWaalsContact O-N 3.16Å; I119-V123 HydrophobicContact CG2-CG2 4.38Å; I119-V123 WeakPolarHBondContact O-CG2 3.06Å; I119-V123 PolarHBondContact O-N 2.9Å; I119-F154 HydrophobicContact CG1-CD2 4.15Å; I119-F154 HydrophobicContact CG1-CE2 3.72Å
120	L	95.3	Very high	93.2	Very high	119 Å²	119	52.5 Å²	52.5	62%	0.623	28%	0.28	S	S	*	.	H	α-helix	trans	-57.9	-41.6	177.3	-65.5	174.9	0	0	0	111.3	T116 T117 V122 V123 G124	T116-L120 WeakPolarHBondContact O-CG 3.39Å; T116-L120 PolarHBondContact O-N 3.33Å; T116-L120 VanDerWaalsContact O-N 3.09Å; T117-L120 PolarHBondContact O-N 3.49Å; L120-V122 PolarHBondContact O-N 3.16Å; L120-V123 PolarHBondContact O-N 3.49Å; L120-G124 PolarHBondContact O-N 2.93Å
121	S	95.3	Very high	93.2	Very high	17 Å²	17	52.7 Å²	52.7	12%	0.119	28%	0.28	C	S	.	.	H	α-helix	trans	-63.6	-39.7	177.6	79.5	0	0	0	0	113	F95 T117 S118 I119 S125	F95-S121 WeakPolarHBondContact CZ-OG 3.44Å; T117-S121 PolarHBondContact O-N 2.96Å; S118-S121 WeakPolarHBondContact CA-OG 3.11Å; S118-S121 PolarHBondContact O-N 3.07Å; S118-S121 PolarHBondContact O-OG 2.56Å; I119-S121 VanDerWaalsContact C-N 3.26Å; I119-S121 PolarHBondContact O-N 2.89Å; S121-S125 WeakPolarHBondContact O-CB 3.26Å; S121-S125 PolarHBondContact O-N 3.2Å; S121-S125 PolarHBondContact O-OG 3.03Å
122	V	96.5	Very high	93.1	Very high	27 Å²	27	53.2 Å²	53.2	16%	0.164	28%	0.282	C	S	.	.	H	α-helix	trans	-70.5	-45.1	178.9	170.3	0	0	0	0	110.5	S118 I119 L120 G124 S125 L126 F154	S118-V122 WeakPolarHBondContact O-CG2 2.88Å; S118-V122 PolarHBondContact O-N 2.89Å; I119-V122 PolarHBondContact O-N 2.89Å; I119-V122 VanDerWaalsContact O-N 3.16Å; L120-V122 PolarHBondContact O-N 3.16Å; V122-G124 VanDerWaalsContact C-N 3.33Å; V122-G124 PolarHBondContact O-N 3.39Å; V122-S125 WeakPolarHBondContact O-CB 3.16Å; V122-S125 PolarHBondContact O-N 2.89Å; V122-S125 VanDerWaalsContact O-N 3.12Å; V122-L126 HydrophobicContact CG1-CD1 4.4Å; V122-L126 WeakPolarHBondContact O-CG 3.42Å; V122-L126 PolarHBondContact O-N 3.26Å; V122-F154 HydrophobicContact CG2-CB 3.8Å; V122-F154 HydrophobicContact CG2-CG 4.17Å
123	V	95.9	Very high	92.9	Very high	89 Å²	89	57 Å²	57	54%	0.539	29%	0.292	S	S	.	.	H	α-helix	trans	-59.6	-45.7	175.3	173.4	0	0	0	0	110.7	I119 L120 S125 L126 Y127	I119-V123 HydrophobicContact CG2-CG2 4.38Å; I119-V123 WeakPolarHBondContact O-CG2 3.06Å; I119-V123 PolarHBondContact O-N 2.9Å; L120-V123 PolarHBondContact O-N 3.49Å; V123-S125 VanDerWaalsContact C-N 3.31Å; V123-S125 PolarHBondContact O-N 3.38Å; V123-L126 PolarHBondContact O-N 3.4Å; V123-Y127 WeakPolarHBondContact O-CB 3.01Å; V123-Y127 PolarHBondContact O-N 2.91Å
124	G	92.9	Very high	92.6	Very high	19 Å²	19	56.3 Å²	56.3	20%	0.196	29%	0.289	C	S	.	.	H	α-helix	trans	-61	-38.2	174.4	0	0	0	0	0	112.9	L120 V122 Y127 L128	L120-G124 PolarHBondContact O-N 2.93Å; V122-G124 VanDerWaalsContact C-N 3.33Å; V122-G124 PolarHBondContact O-N 3.39Å; G124-Y127 PolarHBondContact O-N 2.96Å; G124-L128 WeakPolarHBondContact O-CB 3.4Å; G124-L128 WeakPolarHBondContact O-CG 2.97Å; G124-L128 PolarHBondContact O-N 3.21Å
125	S	93.9	Very high	92.1	Very high	12 Å²	12	60 Å²	60	8%	0.084	31%	0.311	C	S	.	.	H	α-helix	trans	-66.7	-40.7	176.6	-59.3	0	0	0	0	112.2	S121 V122 V123 G129 Y147 N150	S121-S125 WeakPolarHBondContact O-CB 3.26Å; S121-S125 PolarHBondContact O-N 3.2Å; S121-S125 PolarHBondContact O-OG 3.03Å; V122-S125 WeakPolarHBondContact O-CB 3.16Å; V122-S125 PolarHBondContact O-N 2.89Å; V122-S125 VanDerWaalsContact O-N 3.12Å; V123-S125 VanDerWaalsContact C-N 3.31Å; V123-S125 PolarHBondContact O-N 3.38Å; S125-G129 PolarHBondContact O-N 2.88Å; S125-Y147 VanDerWaalsContact CB-CD1 3.46Å; S125-N150 PolarHBondContact OG-ND2 2.94Å
126	L	94.3	Very high	91.5	Very high	124 Å²	124	60.9 Å²	60.9	65%	0.649	32%	0.316	S	S	*	.	H	α-helix	trans	-63.9	-43	174.6	-69.4	174.1	0	0	0	111.2	V122 V123 G129 Y130	V122-L126 HydrophobicContact CG1-CD1 4.4Å; V122-L126 WeakPolarHBondContact O-CG 3.42Å; V122-L126 PolarHBondContact O-N 3.26Å; V123-L126 PolarHBondContact O-N 3.4Å; L126-G129 PolarHBondContact O-N 3.04Å; L126-Y130 PolarHBondContact O-N 2.99Å
127	Y	92.2	Very high	91	Very high	70 Å²	70	65 Å²	65	28%	0.275	33%	0.327	S	S	.	.	H	α-helix	trans	-60.6	-52.5	175.7	170.2	-109.3	0	0	0	112.1	W67 F71 L73 V123 G124 G129 Y130 I131	W67-Y127 AromaticContact CZ3-CZ 3.98Å; W67-Y127 WeakPolarHBondContact CZ3-OH 3.23Å; F71-Y127 HydrophobicContact CB-CE1 4.45Å; L73-Y127 HydrophobicContact CD1-CE1 4.14Å; V123-Y127 WeakPolarHBondContact O-CB 3.01Å; V123-Y127 PolarHBondContact O-N 2.91Å; G124-Y127 PolarHBondContact O-N 2.96Å; Y127-G129 VanDerWaalsContact C-N 3.27Å; Y127-G129 PolarHBondContact O-N 2.64Å; Y127-Y130 WeakPolarHBondContact O-CB 3.33Å; Y127-Y130 PolarHBondContact O-N 3.4Å; Y127-I131 HydrophobicContact CE2-CD1 4.38Å; Y127-I131 HydrophobicContact CE2-CG1 4.15Å; Y127-I131 WeakPolarHBondContact O-CG1 3.43Å; Y127-I131 PolarHBondContact O-N 3.06Å; Y127-I131 VanDerWaalsContact O-N 3.07Å
128	L	89.3	Confident	90.3	Very high	22 Å²	22	63.8 Å²	63.8	12%	0.115	32%	0.319	C	S	.	.	H	α-helix	trans	-66	-32.4	178.1	-67.3	176.4	0	0	0	111.8	F71 G124 I131 L132 Y147	F71-L128 HydrophobicContact CD1-CD1 3.89Å; F71-L128 HydrophobicContact CD1-CD2 4.25Å; F71-L128 HydrophobicContact CD1-CG 4.22Å; F71-L128 HydrophobicContact CE1-CD1 4.02Å; G124-L128 WeakPolarHBondContact O-CB 3.4Å; G124-L128 WeakPolarHBondContact O-CG 2.97Å; G124-L128 PolarHBondContact O-N 3.21Å; L128-I131 PolarHBondContact O-N 3.01Å; L128-L132 VanDerWaalsContact O-CB 3.24Å; L128-L132 WeakPolarHBondContact O-CB 3.4Å; L128-L132 PolarHBondContact O-N 2.66Å; L128-Y147 HydrophobicContact CB-CE1 4.27Å; L128-Y147 WeakPolarHBondContact CB-OH 3.06Å
129	G	90.5	Very high	89.6	Confident	21 Å²	21	68.9 Å²	68.9	22%	0.216	34%	0.341	C	S	.	.	H	α-helix	trans	-63.6	-42.6	172.7	0	0	0	0	0	112.7	S125 L126 Y127 L132 Y133	S125-G129 PolarHBondContact O-N 2.88Å; L126-G129 PolarHBondContact O-N 3.04Å; Y127-G129 VanDerWaalsContact C-N 3.27Å; Y127-G129 PolarHBondContact O-N 2.64Å; G129-L132 PolarHBondContact O-N 2.06Å; G129-Y133 PolarHBondContact O-N 2.04Å
130	Y	89.6	Confident	89.2	Confident	133 Å²	133	65.3 Å²	65.3	52%	0.522	32%	0.323	S	S	.	.	H	α-helix	trans	-59.1	-48.1	172.8	172.8	-91	0	0	0	111.2	L126 Y127 L132 Y133 F134	L126-Y130 PolarHBondContact O-N 2.99Å; Y127-Y130 WeakPolarHBondContact O-CB 3.33Å; Y127-Y130 PolarHBondContact O-N 3.4Å; Y130-L132 VanDerWaalsContact C-N 3.33Å; Y130-L132 PolarHBondContact O-N 2.86Å; Y130-Y133 PolarHBondContact O-N 3.41Å; Y130-F134 AromaticContact CD2-CD2 3.24Å; Y130-F134 HydrophobicContact CD2-CD2 3.24Å; Y130-F134 AromaticContact CD2-CE2 3.62Å; Y130-F134 HydrophobicContact CD2-CE2 3.62Å; Y130-F134 HydrophobicContact CD2-CG 4.21Å; Y130-F134 HydrophobicContact CE2-CB 4.26Å; Y130-F134 AromaticContact CE2-CD2 3.28Å; Y130-F134 HydrophobicContact CE2-CD2 3.28Å; Y130-F134 AromaticContact CE2-CE2 3.71Å; Y130-F134 HydrophobicContact CE2-CE2 3.71Å; Y130-F134 AromaticContact CE2-CG 3.86Å; Y130-F134 HydrophobicContact CE2-CG 3.86Å; Y130-F134 AromaticContact CG-CD2 3.99Å; Y130-F134 HydrophobicContact CG-CD2 3.99Å; Y130-F134 WeakPolarHBondContact O-CB 3.5Å; Y130-F134 PolarHBondContact O-N 3.45Å
131	I	87.9	Confident	88.8	Confident	11 Å²	11	62.8 Å²	62.8	6%	0.056	31%	0.312	C	S	.	.	I	π-helix	trans	-60.5	-44	177.8	-67.2	-62.6	0	0	0	111.1	W67 Y127 L128 Y133 V135 L136	W67-I131 HydrophobicContact CB-CG2 4.07Å; W67-I131 HydrophobicContact CD2-CD1 4.33Å; W67-I131 HydrophobicContact CD2-CG1 4.41Å; W67-I131 HydrophobicContact CD2-CG2 3.89Å; W67-I131 HydrophobicContact CG-CG2 3.57Å; W67-I131 HydrophobicContact CH2-CD1 4.23Å; W67-I131 HydrophobicContact CZ2-CD1 3.97Å; Y127-I131 HydrophobicContact CE2-CD1 4.38Å; Y127-I131 HydrophobicContact CE2-CG1 4.15Å; Y127-I131 WeakPolarHBondContact O-CG1 3.43Å; Y127-I131 PolarHBondContact O-N 3.06Å; Y127-I131 VanDerWaalsContact O-N 3.07Å; L128-I131 PolarHBondContact O-N 3.01Å; I131-Y133 PolarHBondContact O-N 3.12Å; I131-V135 HydrophobicContact CD1-CB 4.45Å; I131-V135 HydrophobicContact CD1-CG2 3.72Å; I131-V135 HydrophobicContact CG2-CB 4.27Å; I131-V135 WeakPolarHBondContact O-CA 3.17Å; I131-V135 VanDerWaalsContact O-CB 3.27Å; I131-V135 WeakPolarHBondContact O-CB 3.24Å; I131-V135 PolarHBondContact O-N 2.87Å; I131-L136 HydrophobicContact CG2-CD1 3.46Å; I131-L136 VanDerWaalsContact CG2-CD1 3.46Å; I131-L136 PolarHBondContact O-N 2.88Å
132	L	86.4	Confident	88.6	Confident	13 Å²	13	62.4 Å²	62.4	7%	0.068	31%	0.309	C	S	.	.	I	π-helix	trans	-60.7	-45.4	-179.9	-166.9	128.3	0	0	0	112	V60 L128 G129 Y130 K137 D138 C140 C143	V60-L132 HydrophobicContact CG1-CD1 4.34Å; V60-L132 HydrophobicContact CG2-CD1 4.29Å; L128-L132 VanDerWaalsContact O-CB 3.24Å; L128-L132 WeakPolarHBondContact O-CB 3.4Å; L128-L132 PolarHBondContact O-N 2.66Å; G129-L132 PolarHBondContact O-N 2.06Å; Y130-L132 VanDerWaalsContact C-N 3.33Å; Y130-L132 PolarHBondContact O-N 2.86Å; L132-K137 PolarHBondContact O-N 3.49Å; L132-D138 WeakPolarHBondContact CD2-O 3.48Å; L132-D138 WeakPolarHBondContact CG-O 3.25Å; L132-D138 PolarHBondContact O-N 3.16Å; L132-C140 HydrophobicContact CD1-CB 3.49Å; L132-C140 VanDerWaalsContact CD1-CB 3.49Å; L132-C143 HydrophobicContact CD1-CB 4.07Å
133	Y	85.7	Confident	88.3	Confident	165 Å²	165	61.5 Å²	61.5	65%	0.647	30%	0.304	S	S	*	.	I	π-helix	trans	-77.9	-49	-177.9	-175.9	-98	0	0	0	113.5	G129 Y130 I131	G129-Y133 PolarHBondContact O-N 2.04Å; Y130-Y133 PolarHBondContact O-N 3.41Å; I131-Y133 PolarHBondContact O-N 3.12Å
134	F	86.9	Confident	88.1	Confident	117 Å²	117	60.2 Å²	60.2	51%	0.513	29%	0.293	S	S	.	.	I	π-helix	trans	-90.5	-34.6	-171.6	-71.5	-77	0	0	0	114	Y130	Y130-F134 AromaticContact CD2-CD2 3.24Å; Y130-F134 HydrophobicContact CD2-CD2 3.24Å; Y130-F134 AromaticContact CD2-CE2 3.62Å; Y130-F134 HydrophobicContact CD2-CE2 3.62Å; Y130-F134 HydrophobicContact CD2-CG 4.21Å; Y130-F134 HydrophobicContact CE2-CB 4.26Å; Y130-F134 AromaticContact CE2-CD2 3.28Å; Y130-F134 HydrophobicContact CE2-CD2 3.28Å; Y130-F134 AromaticContact CE2-CE2 3.71Å; Y130-F134 HydrophobicContact CE2-CE2 3.71Å; Y130-F134 AromaticContact CE2-CG 3.86Å; Y130-F134 HydrophobicContact CE2-CG 3.86Å; Y130-F134 AromaticContact CG-CD2 3.99Å; Y130-F134 HydrophobicContact CG-CD2 3.99Å; Y130-F134 WeakPolarHBondContact O-CB 3.5Å; Y130-F134 PolarHBondContact O-N 3.45Å
135	V	85.4	Confident	88.2	Confident	78 Å²	78	61.7 Å²	61.7	47%	0.473	30%	0.298	S	S	.	.	I	π-helix	trans	-96	-55.2	-172.8	-175.9	0	0	0	0	111	I131	I131-V135 HydrophobicContact CD1-CB 4.45Å; I131-V135 HydrophobicContact CD1-CG2 3.72Å; I131-V135 HydrophobicContact CG2-CB 4.27Å; I131-V135 WeakPolarHBondContact O-CA 3.17Å; I131-V135 VanDerWaalsContact O-CB 3.27Å; I131-V135 WeakPolarHBondContact O-CB 3.24Å; I131-V135 PolarHBondContact O-N 2.87Å
136	L	82.5	Confident	88.2	Confident	40 Å²	40	62.1 Å²	62.1	21%	0.209	30%	0.3	C	S	.	.	I	π-helix	trans	-80.8	-31.4	-178.4	-79.2	71.4	0	0	0	112.2	V60 I131 D138	V60-L136 HydrophobicContact CB-CD2 4.22Å; V60-L136 HydrophobicContact CG1-CD2 4.24Å; V60-L136 HydrophobicContact CG2-CD2 3.88Å; I131-L136 HydrophobicContact CG2-CD1 3.46Å; I131-L136 VanDerWaalsContact CG2-CD1 3.46Å; I131-L136 PolarHBondContact O-N 2.88Å; L136-D138 HydrophobicContact CB-CB 4.44Å; L136-D138 PolarHBondContact O-N 3.33Å
137	K	83.1	Confident	88.3	Confident	163 Å²	163	58.4 Å²	58.4	71%	0.709	28%	0.278	S	S	*	.			trans	54.5	31.9	-174.4	-56	-178	-179.7	178.3	0	112.9	L132	L132-K137 PolarHBondContact O-N 3.49Å
138	D	81.1	Confident	88.5	Confident	26 Å²	26	57.5 Å²	57.5	14%	0.139	29%	0.285	C	S	.	.			trans	-117	144.7	177.1	-82.4	-49.1	0	0	0	109	V60 L132 L136	V60-D138 HydrophobicContact CG2-CB 4.1Å; L132-D138 WeakPolarHBondContact CD2-O 3.48Å; L132-D138 WeakPolarHBondContact CG-O 3.25Å; L132-D138 PolarHBondContact O-N 3.16Å; L136-D138 HydrophobicContact CB-CB 4.44Å; L136-D138 PolarHBondContact O-N 3.33Å
139	F	80.9	Confident	88.9	Confident	106 Å²	106	57 Å²	57	47%	0.465	28%	0.282	S	S	.	.			trans	-101.3	110.4	179.3	-164.7	-94.7	0	0	0	110.7	S54 I55 V141 I144	S54-F139 PolarHBondContact O-N 2.98Å; I55-F139 VanDerWaalsContact CA-O 3.26Å; I55-F139 WeakPolarHBondContact CA-O 3.37Å; I55-F139 HydrophobicContact CG1-CB 4.08Å; I55-F139 HydrophobicContact CG1-CD1 4.35Å; I55-F139 HydrophobicContact CG2-CD1 4.42Å; I55-F139 WeakPolarHBondContact CG2-O 3.47Å; F139-V141 HydrophobicContact CD1-CG2 4.22Å; F139-V141 HydrophobicContact CE1-CG2 4.23Å; F139-I144 HydrophobicContact CD1-CD1 3.84Å; F139-I144 HydrophobicContact CD2-CD1 3.65Å; F139-I144 HydrophobicContact CE1-CD1 3.43Å; F139-I144 VanDerWaalsContact CE1-CD1 3.43Å; F139-I144 HydrophobicContact CE2-CD1 3.22Å; F139-I144 HydrophobicContact CG-CD1 3.95Å; F139-I144 HydrophobicContact CZ-CD1 3.12Å
140	C	86.8	Confident	89.2	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.276	C	S	.	.			trans	-101.3	106.1	178.9	174.1	0	0	0	0	110.7	V60 L132 I142 C143 I144	V60-C140 HydrophobicContact CG2-CB 4.14Å; L132-C140 HydrophobicContact CD1-CB 3.49Å; L132-C140 VanDerWaalsContact CD1-CB 3.49Å; C140-I142 VanDerWaalsContact C-N 3.31Å; C140-I142 PolarHBondContact O-N 3.09Å; C140-C143 HydrophobicContact CB-CB 3.58Å; C140-C143 WeakPolarHBondContact CB-SG 3.3Å; C140-C143 PolarHBondContact O-N 3.37Å; C140-C143 WeakPolarHBondContact SG-CB 3.41Å; C140-C143 PolarHBondContact SG-N 2.8Å; C140-C143 CovalentContact SG-SG 2.06Å; C140-C143 PolarHBondContact SG-SG 3.43Å; C140-I144 WeakPolarHBondContact O-CG1 3.48Å; C140-I144 PolarHBondContact O-N 3.49Å
141	V	88.2	Confident	89.6	Confident	65 Å²	65	55.8 Å²	55.8	39%	0.394	28%	0.275	S	S	.	.	H	α-helix	trans	-60.8	-40.5	179.5	176.9	0	0	0	0	111.6	I55 F139 C143 I144 T145	I55-V141 HydrophobicContact CG2-CG2 3.91Å; F139-V141 HydrophobicContact CD1-CG2 4.22Å; F139-V141 HydrophobicContact CE1-CG2 4.23Å; V141-C143 PolarHBondContact O-N 3.39Å; V141-I144 PolarHBondContact O-N 3.29Å; V141-T145 WeakPolarHBondContact O-CB 3.3Å; V141-T145 PolarHBondContact O-N 3.08Å; V141-T145 PolarHBondContact O-OG1 3Å
142	I	90.8	Very high	90	Very high	10 Å²	10	58.9 Å²	58.9	5%	0.051	29%	0.291	C	S	.	.	H	α-helix	trans	-58.9	-50	176.3	-61.7	174.1	0	0	0	110.1	L28 Y31 A32 C49 C57 C140 I144 T145 T146	L28-I142 HydrophobicContact CB-CG2 4.35Å; Y31-I142 HydrophobicContact CD1-CD1 3.48Å; Y31-I142 VanDerWaalsContact CD1-CD1 3.48Å; Y31-I142 HydrophobicContact CD1-CG1 4.45Å; Y31-I142 HydrophobicContact CE1-CD1 3.61Å; A32-I142 HydrophobicContact CB-CG2 4.47Å; C49-I142 HydrophobicContact CB-CD1 3.99Å; C49-I142 HydrophobicContact CB-CG1 4.14Å; C49-I142 WeakPolarHBondContact SG-CD1 3.44Å; C57-I142 HydrophobicContact CB-CD1 4.19Å; C140-I142 VanDerWaalsContact C-N 3.31Å; C140-I142 PolarHBondContact O-N 3.09Å; I142-I144 PolarHBondContact O-N 2.95Å; I142-T145 WeakPolarHBondContact O-CB 3.45Å; I142-T145 PolarHBondContact O-N 3.33Å; I142-T146 HydrophobicContact CG2-CG2 4.39Å; I142-T146 WeakPolarHBondContact O-CG2 3.43Å; I142-T146 PolarHBondContact O-N 3.28Å; I142-T146 PolarHBondContact O-OG1 3.02Å
143	C	90.3	Very high	90.5	Very high	8 Å²	8	58.3 Å²	58.3	5%	0.054	29%	0.288	C	S	.	.	H	α-helix	trans	-61.7	-48.8	-176	-48.9	0	0	0	0	110.3	L132 C140 V141 T145 T146 Y147	L132-C143 HydrophobicContact CD1-CB 4.07Å; C140-C143 HydrophobicContact CB-CB 3.58Å; C140-C143 WeakPolarHBondContact CB-SG 3.3Å; C140-C143 PolarHBondContact O-N 3.37Å; C140-C143 WeakPolarHBondContact SG-CB 3.41Å; C140-C143 PolarHBondContact SG-N 2.8Å; C140-C143 CovalentContact SG-SG 2.06Å; C140-C143 PolarHBondContact SG-SG 3.43Å; V141-C143 PolarHBondContact O-N 3.39Å; C143-T145 VanDerWaalsContact C-N 3.3Å; C143-T145 PolarHBondContact O-N 3.3Å; C143-T146 WeakPolarHBondContact CA-OG1 3.17Å; C143-T146 PolarHBondContact O-N 2.89Å; C143-T146 VanDerWaalsContact O-N 3.11Å; C143-T146 PolarHBondContact O-OG1 3.43Å; C143-Y147 HydrophobicContact CB-CE1 4.35Å; C143-Y147 HydrophobicContact CB-CE2 4.2Å; C143-Y147 WeakPolarHBondContact O-CD1 3.26Å; C143-Y147 WeakPolarHBondContact O-CD2 3.36Å; C143-Y147 WeakPolarHBondContact O-CE1 3.23Å; C143-Y147 PolarHBondContact O-N 2.89Å
144	I	91.8	Very high	91	Very high	61 Å²	61	52.8 Å²	52.8	31%	0.313	27%	0.267	S	S	.	.	H	α-helix	trans	-60.9	-41.4	177.7	-65.1	166.3	0	0	0	111.2	F139 C140 V141 I142 Y147 A148	F139-I144 HydrophobicContact CD1-CD1 3.84Å; F139-I144 HydrophobicContact CD2-CD1 3.65Å; F139-I144 HydrophobicContact CE1-CD1 3.43Å; F139-I144 VanDerWaalsContact CE1-CD1 3.43Å; F139-I144 HydrophobicContact CE2-CD1 3.22Å; F139-I144 HydrophobicContact CG-CD1 3.95Å; F139-I144 HydrophobicContact CZ-CD1 3.12Å; C140-I144 WeakPolarHBondContact O-CG1 3.48Å; C140-I144 PolarHBondContact O-N 3.49Å; V141-I144 PolarHBondContact O-N 3.29Å; I142-I144 PolarHBondContact O-N 2.95Å; I144-Y147 PolarHBondContact O-N 2.89Å; I144-A148 PolarHBondContact O-N 2.98Å
145	T	94	Very high	91.4	Very high	50 Å²	50	50.2 Å²	50.2	31%	0.307	26%	0.258	S	S	.	.	H	α-helix	trans	-61.6	-45.6	175.2	-54.4	0	0	0	0	110.6	L28 V141 I142 C143 Y147 A148 L149	L28-T145 HydrophobicContact CD1-CG2 3.56Å; V141-T145 WeakPolarHBondContact O-CB 3.3Å; V141-T145 PolarHBondContact O-N 3.08Å; V141-T145 PolarHBondContact O-OG1 3Å; I142-T145 WeakPolarHBondContact O-CB 3.45Å; I142-T145 PolarHBondContact O-N 3.33Å; C143-T145 VanDerWaalsContact C-N 3.3Å; C143-T145 PolarHBondContact O-N 3.3Å; T145-Y147 VanDerWaalsContact C-N 3.29Å; T145-Y147 PolarHBondContact O-N 2.91Å; T145-A148 WeakPolarHBondContact O-CB 3.41Å; T145-A148 PolarHBondContact O-N 2.82Å; T145-L149 WeakPolarHBondContact O-CG 3.49Å; T145-L149 PolarHBondContact O-N 3.36Å
146	T	95.1	Very high	91.9	Very high	22 Å²	22	47 Å²	47	14%	0.135	24%	0.238	C	C	.	.	H	α-helix	trans	-62.8	-34.5	176.3	59.7	0	0	0	0	112.8	L28 Y96 I142 C143 L149 N150	L28-T146 HydrophobicContact CB-CG2 4.07Å; L28-T146 HydrophobicContact CD1-CG2 4.13Å; Y96-T146 PolarHBondContact OH-O 2.91Å; I142-T146 HydrophobicContact CG2-CG2 4.39Å; I142-T146 WeakPolarHBondContact O-CG2 3.43Å; I142-T146 PolarHBondContact O-N 3.28Å; I142-T146 PolarHBondContact O-OG1 3.02Å; C143-T146 WeakPolarHBondContact CA-OG1 3.17Å; C143-T146 PolarHBondContact O-N 2.89Å; C143-T146 VanDerWaalsContact O-N 3.11Å; C143-T146 PolarHBondContact O-OG1 3.43Å; T146-L149 PolarHBondContact O-N 3.42Å; T146-N150 WeakPolarHBondContact O-CB 3.33Å; T146-N150 PolarHBondContact O-N 3.47Å; T146-N150 PolarHBondContact O-ND2 3.16Å
147	Y	94.9	Very high	92.5	Very high	45 Å²	45	45.2 Å²	45.2	18%	0.176	23%	0.229	C	C	.	.	H	α-helix	trans	-66.7	-40.8	175.9	-54.8	-19.1	0	0	0	111.3	S125 L128 C143 I144 T145 N150 F151	S125-Y147 VanDerWaalsContact CB-CD1 3.46Å; L128-Y147 HydrophobicContact CB-CE1 4.27Å; L128-Y147 WeakPolarHBondContact CB-OH 3.06Å; C143-Y147 HydrophobicContact CB-CE1 4.35Å; C143-Y147 HydrophobicContact CB-CE2 4.2Å; C143-Y147 WeakPolarHBondContact O-CD1 3.26Å; C143-Y147 WeakPolarHBondContact O-CD2 3.36Å; C143-Y147 WeakPolarHBondContact O-CE1 3.23Å; C143-Y147 PolarHBondContact O-N 2.89Å; I144-Y147 PolarHBondContact O-N 2.89Å; T145-Y147 VanDerWaalsContact C-N 3.29Å; T145-Y147 PolarHBondContact O-N 2.91Å; Y147-N150 PolarHBondContact O-N 3.02Å; Y147-F151 PolarHBondContact O-N 3.44Å
148	A	96.9	Very high	93	Very high	51 Å²	51	43.5 Å²	43.5	42%	0.421	22%	0.219	S	C	.	.	H	α-helix	trans	-62.5	-43.9	173.6	0	0	0	0	0	111.6	I144 T145 N150 F151 I152	I144-A148 PolarHBondContact O-N 2.98Å; T145-A148 WeakPolarHBondContact O-CB 3.41Å; T145-A148 PolarHBondContact O-N 2.82Å; A148-N150 PolarHBondContact O-N 3.46Å; A148-F151 PolarHBondContact O-N 2.68Å; A148-I152 VanDerWaalsContact O-CG1 3.29Å; A148-I152 WeakPolarHBondContact O-CG1 3.37Å; A148-I152 PolarHBondContact O-N 2.76Å
149	L	97.4	Very high	93.5	Very high	12 Å²	12	48 Å²	48	6%	0.063	24%	0.237	C	C	.	.	H	α-helix	trans	-62.4	-41.7	176.5	-64.4	177	0	0	0	112.3	V21 L24 L28 Y96 T145 T146 F151 I152 L153	V21-L149 HydrophobicContact CG1-CB 4.03Å; V21-L149 HydrophobicContact CG1-CD2 3.96Å; V21-L149 HydrophobicContact CG2-CD2 4.47Å; L24-L149 HydrophobicContact CB-CD1 4.32Å; L24-L149 HydrophobicContact CD2-CD1 4.13Å; L24-L149 HydrophobicContact CD2-CD2 3.94Å; L24-L149 HydrophobicContact CG-CD1 3.94Å; L28-L149 HydrophobicContact CD1-CD1 3.81Å; Y96-L149 HydrophobicContact CE1-CB 4.4Å; T145-L149 WeakPolarHBondContact O-CG 3.49Å; T145-L149 PolarHBondContact O-N 3.36Å; T146-L149 PolarHBondContact O-N 3.42Å; L149-F151 VanDerWaalsContact C-N 3.33Å; L149-F151 PolarHBondContact O-N 2.96Å; L149-I152 PolarHBondContact O-N 3.14Å; L149-L153 PolarHBondContact O-N 3.23Å
150	N	97.6	Very high	93.9	Very high	15 Å²	15	43.1 Å²	43.1	8%	0.08	22%	0.216	C	C	.	.	H	α-helix	trans	-60.9	-42.7	175.2	-71.8	-16.5	0	0	0	111.6	F95 Y96 S125 T146 Y147 A148 L153 F154	F95-N150 VanDerWaalsContact CE1-OD1 3.26Å; F95-N150 WeakPolarHBondContact CE1-OD1 3.27Å; Y96-N150 PolarHBondContact OH-OD1 3.3Å; S125-N150 PolarHBondContact OG-ND2 2.94Å; T146-N150 WeakPolarHBondContact O-CB 3.33Å; T146-N150 PolarHBondContact O-N 3.47Å; T146-N150 PolarHBondContact O-ND2 3.16Å; Y147-N150 PolarHBondContact O-N 3.02Å; A148-N150 PolarHBondContact O-N 3.46Å; N150-L153 PolarHBondContact O-N 3Å; N150-F154 PolarHBondContact O-N 2.91Å
151	F	97.1	Very high	94.1	Very high	113 Å²	113	45.2 Å²	45.2	50%	0.496	23%	0.227	S	C	.	.	H	α-helix	trans	-65.5	-41.4	176.2	-172.1	-104.5	0	0	0	112.2	Y147 A148 L149 L153 F154 I155	Y147-F151 PolarHBondContact O-N 3.44Å; A148-F151 PolarHBondContact O-N 2.68Å; L149-F151 VanDerWaalsContact C-N 3.33Å; L149-F151 PolarHBondContact O-N 2.96Å; F151-L153 PolarHBondContact O-N 3.38Å; F151-F154 HydrophobicContact CE2-CD1 4.46Å; F151-F154 WeakPolarHBondContact O-CB 3.39Å; F151-F154 PolarHBondContact O-N 3.21Å; F151-I155 HydrophobicContact CD1-CG1 4.42Å; F151-I155 HydrophobicContact CE1-CD1 4.38Å; F151-I155 HydrophobicContact CE1-CG1 4.09Å; F151-I155 HydrophobicContact CZ-CD1 4.15Å; F151-I155 HydrophobicContact CZ-CG1 4.32Å; F151-I155 WeakPolarHBondContact O-CG1 3.42Å; F151-I155 PolarHBondContact O-N 3.33Å
152	I	96.8	Very high	94.2	Very high	77 Å²	77	45 Å²	45	40%	0.395	23%	0.225	S	C	.	.	H	α-helix	trans	-60.4	-45.5	174.4	-67.5	163.4	0	0	0	110.5	V21 A148 L149 F154 I155 L156	V21-I152 HydrophobicContact CG2-CG2 3.84Å; A148-I152 VanDerWaalsContact O-CG1 3.29Å; A148-I152 WeakPolarHBondContact O-CG1 3.37Å; A148-I152 PolarHBondContact O-N 2.76Å; L149-I152 PolarHBondContact O-N 3.14Å; I152-F154 VanDerWaalsContact C-N 3.32Å; I152-F154 PolarHBondContact O-N 2.87Å; I152-I155 PolarHBondContact O-N 3.22Å; I152-L156 HydrophobicContact CG2-CD1 4.24Å; I152-L156 HydrophobicContact CG2-CG 4.47Å; I152-L156 WeakPolarHBondContact O-CG 3.46Å; I152-L156 PolarHBondContact O-N 2.72Å
153	L	96.4	Very high	94	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-61.3	-40	176	-79.5	172.7	0	0	0	112.5	R18 V21 F95 Y96 Q99 L149 N150 F151 I155 L156 N157	R18-L153 HydrophobicContact CG-CD2 4.33Å; V21-L153 HydrophobicContact CB-CD2 4.49Å; V21-L153 HydrophobicContact CG1-CD1 4.06Å; V21-L153 HydrophobicContact CG1-CD2 4Å; V21-L153 HydrophobicContact CG1-CG 3.61Å; F95-L153 HydrophobicContact CE1-CD1 3.76Å; F95-L153 HydrophobicContact CZ-CD1 4.07Å; Y96-L153 HydrophobicContact CD1-CD1 3.67Å; Y96-L153 HydrophobicContact CE1-CD1 3.59Å; Q99-L153 HydrophobicContact CB-CD1 4.43Å; Q99-L153 HydrophobicContact CG-CD1 4.32Å; L149-L153 PolarHBondContact O-N 3.23Å; N150-L153 PolarHBondContact O-N 3Å; F151-L153 PolarHBondContact O-N 3.38Å; L153-I155 VanDerWaalsContact C-N 3.35Å; L153-I155 PolarHBondContact O-N 3.37Å; L153-L156 HydrophobicContact CD2-CD1 4.46Å; L153-L156 PolarHBondContact O-N 2.72Å; L153-N157 WeakPolarHBondContact O-CB 3.42Å; L153-N157 PolarHBondContact O-N 3.44Å; L153-N157 PolarHBondContact O-ND2 3.38Å
154	F	97.1	Very high	93.7	Very high	50 Å²	50	49.6 Å²	49.6	22%	0.219	24%	0.242	C	C	.	.	H	α-helix	trans	-57.8	-46.7	174.3	171.3	-99.2	0	0	0	111.6	M115 I119 V122 N150 F151 I152 L156 N157 Y158	M115-F154 HydrophobicContact CE-CD2 4.04Å; M115-F154 HydrophobicContact CE-CE2 3.31Å; M115-F154 HydrophobicContact CE-CZ 3.84Å; M115-F154 HydrophobicContact SD-CD2 4.28Å; M115-F154 HydrophobicContact SD-CE2 4.13Å; I119-F154 HydrophobicContact CG1-CD2 4.15Å; I119-F154 HydrophobicContact CG1-CE2 3.72Å; V122-F154 HydrophobicContact CG2-CB 3.8Å; V122-F154 HydrophobicContact CG2-CG 4.17Å; N150-F154 PolarHBondContact O-N 2.91Å; F151-F154 HydrophobicContact CE2-CD1 4.46Å; F151-F154 WeakPolarHBondContact O-CB 3.39Å; F151-F154 PolarHBondContact O-N 3.21Å; I152-F154 VanDerWaalsContact C-N 3.32Å; I152-F154 PolarHBondContact O-N 2.87Å; F154-L156 PolarHBondContact O-N 2.9Å; F154-N157 PolarHBondContact O-N 3.11Å; F154-Y158 WeakPolarHBondContact O-CB 3.45Å; F154-Y158 PolarHBondContact O-N 2.74Å
155	I	96.3	Very high	93.4	Very high	62 Å²	62	50 Å²	50	32%	0.318	25%	0.245	S	C	.	.	H	α-helix	trans	-63.9	-42.1	177	-61.6	-60	0	0	0	111.7	F151 I152 L153 Y158 K159	F151-I155 HydrophobicContact CD1-CG1 4.42Å; F151-I155 HydrophobicContact CE1-CD1 4.38Å; F151-I155 HydrophobicContact CE1-CG1 4.09Å; F151-I155 HydrophobicContact CZ-CD1 4.15Å; F151-I155 HydrophobicContact CZ-CG1 4.32Å; F151-I155 WeakPolarHBondContact O-CG1 3.42Å; F151-I155 PolarHBondContact O-N 3.33Å; I152-I155 PolarHBondContact O-N 3.22Å; L153-I155 VanDerWaalsContact C-N 3.35Å; L153-I155 PolarHBondContact O-N 3.37Å; I155-Y158 PolarHBondContact O-N 2.86Å; I155-K159 WeakPolarHBondContact O-CG 3.49Å; I155-K159 PolarHBondContact O-N 3.28Å
156	L	94.4	Very high	93	Very high	12 Å²	12	51.6 Å²	51.6	6%	0.063	25%	0.249	C	C	.	.	H	α-helix	trans	-61.6	-43.7	176.3	-69	176.9	0	0	0	111.6	W13 E14 A17 R18 I152 L153 F154 R160	W13-L156 HydrophobicContact CH2-CD2 4.48Å; W13-L156 HydrophobicContact CZ3-CD2 3.94Å; E14-L156 HydrophobicContact CG-CD2 4.37Å; A17-L156 HydrophobicContact CB-CD1 4.21Å; A17-L156 HydrophobicContact CB-CD2 4.42Å; R18-L156 HydrophobicContact CB-CD1 4.42Å; I152-L156 HydrophobicContact CG2-CD1 4.24Å; I152-L156 HydrophobicContact CG2-CG 4.47Å; I152-L156 WeakPolarHBondContact O-CG 3.46Å; I152-L156 PolarHBondContact O-N 2.72Å; L153-L156 HydrophobicContact CD2-CD1 4.46Å; L153-L156 PolarHBondContact O-N 2.72Å; F154-L156 PolarHBondContact O-N 2.9Å; L156-R160 WeakPolarHBondContact O-CB 3.22Å; L156-R160 PolarHBondContact O-N 2.96Å
157	N	95	Very high	92.3	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-68.5	-40	178.7	-70.5	-24.7	0	0	0	112.3	R18 Q99 L114 M115 S118 L153 F154 R160 L161	R18-N157 VanDerWaalsContact CZ-OD1 3.25Å; R18-N157 PolarHBondContact NH1-OD1 3.3Å; R18-N157 PolarHBondContact NH2-OD1 3.46Å; Q99-N157 PolarHBondContact NE2-ND2 3.24Å; Q99-N157 PolarHBondContact OE1-ND2 3.45Å; Q99-N157 PolarHBondContact OE1-OD1 2.87Å; L114-N157 PolarHBondContact O-ND2 3.01Å; M115-N157 HydrophobicContact SD-CB 4.21Å; S118-N157 WeakPolarHBondContact CB-ND2 3.47Å; S118-N157 PolarHBondContact OG-ND2 2.95Å; L153-N157 WeakPolarHBondContact O-CB 3.42Å; L153-N157 PolarHBondContact O-N 3.44Å; L153-N157 PolarHBondContact O-ND2 3.38Å; F154-N157 PolarHBondContact O-N 3.11Å; N157-R160 PolarHBondContact O-N 3.4Å; N157-L161 WeakPolarHBondContact O-CB 3.43Å; N157-L161 PolarHBondContact O-N 3.4Å
158	Y	93.7	Very high	91.6	Very high	127 Å²	127	54.8 Å²	54.8	50%	0.498	26%	0.261	S	S	.	.	H	α-helix	trans	-60.2	-50.7	175.6	176.8	-102.4	0	0	0	111.2	M115 F154 I155 R160 L161 V162	M115-Y158 HydrophobicContact CE-CD2 3.85Å; M115-Y158 HydrophobicContact CE-CG 4.48Å; F154-Y158 WeakPolarHBondContact O-CB 3.45Å; F154-Y158 PolarHBondContact O-N 2.74Å; I155-Y158 PolarHBondContact O-N 2.86Å; Y158-R160 VanDerWaalsContact C-N 3.31Å; Y158-R160 PolarHBondContact O-N 3.07Å; Y158-L161 PolarHBondContact O-N 3.44Å; Y158-V162 HydrophobicContact CD1-CG2 4.43Å; Y158-V162 HydrophobicContact CD2-CG2 4.42Å; Y158-V162 HydrophobicContact CE1-CG2 4.01Å; Y158-V162 HydrophobicContact CE2-CG2 4.01Å; Y158-V162 WeakPolarHBondContact O-CG2 3.26Å; Y158-V162 PolarHBondContact O-N 2.84Å
159	K	92.2	Very high	90.9	Very high	122 Å²	122	56.6 Å²	56.6	53%	0.53	26%	0.259	S	S	.	.	H	α-helix	trans	-59.5	-42.2	177.6	-75	-169.5	175	-173.3	0	112	I155 Y163	I155-K159 WeakPolarHBondContact O-CG 3.49Å; I155-K159 PolarHBondContact O-N 3.28Å; K159-Y163 VanDerWaalsContact O-CB 3.3Å; K159-Y163 WeakPolarHBondContact O-CB 3.43Å; K159-Y163 PolarHBondContact O-N 3.1Å
160	R	89.8	Confident	90.1	Very high	3 Å²	3	62 Å²	62	1%	0.011	28%	0.284	C	S	.	.	H	α-helix	trans	-62.5	-43.8	176.6	-172.6	-173.7	-170.5	126.7	-12.9	112	T10 E14 G103 T105 L156 N157 Y158 Y163 L164	T10-R160 HydrophobicContact CG2-CG 4.4Å; E14-R160 WeakPolarHBondContact OE1-CD 3.45Å; E14-R160 IonicContact OE1-CZ 3.74Å; E14-R160 IonicContact OE1-NE 2.89Å; E14-R160 IonicContact OE1-NH1 2.8Å; E14-R160 PolarHBondContact OE1-NH1 3.23Å; G103-R160 VanDerWaalsContact O-CZ 3.23Å; G103-R160 PolarHBondContact O-NH1 2.88Å; G103-R160 PolarHBondContact O-NH2 3.33Å; T105-R160 PolarHBondContact O-NH2 2.66Å; L156-R160 WeakPolarHBondContact O-CB 3.22Å; L156-R160 PolarHBondContact O-N 2.96Å; N157-R160 PolarHBondContact O-N 3.4Å; Y158-R160 VanDerWaalsContact C-N 3.31Å; Y158-R160 PolarHBondContact O-N 3.07Å; R160-Y163 PolarHBondContact O-N 3.19Å; R160-L164 HydrophobicContact CG-CD1 4.02Å; R160-L164 WeakPolarHBondContact O-CB 3.34Å; R160-L164 WeakPolarHBondContact O-CG 3.45Å; R160-L164 PolarHBondContact O-N 2.97Å
161	L	90.6	Very high	89.2	Confident	44 Å²	44	64.8 Å²	64.8	23%	0.23	30%	0.297	C	S	.	.	H	α-helix	trans	-64.5	-46.2	180	-177.9	63.6	0	0	0	111.3	A111 L112 M115 N157 Y158 Y163 L164 N165	A111-L161 HydrophobicContact CB-CD1 4.13Å; L112-L161 HydrophobicContact CD2-CD1 3.81Å; L112-L161 HydrophobicContact CD2-CD2 4.37Å; L112-L161 HydrophobicContact CG-CD1 4.3Å; M115-L161 HydrophobicContact CB-CD2 4.09Å; M115-L161 HydrophobicContact CG-CD2 3.89Å; N157-L161 WeakPolarHBondContact O-CB 3.43Å; N157-L161 PolarHBondContact O-N 3.4Å; Y158-L161 PolarHBondContact O-N 3.44Å; L161-Y163 PolarHBondContact O-N 3.42Å; L161-L164 PolarHBondContact O-N 3.1Å; L161-N165 VanDerWaalsContact O-CB 3.29Å; L161-N165 WeakPolarHBondContact O-CB 3.42Å; L161-N165 PolarHBondContact O-N 2.98Å
162	V	89.8	Confident	88.4	Confident	60 Å²	60	62.8 Å²	62.8	36%	0.364	29%	0.291	S	S	.	.	H	α-helix	trans	-59	-48.1	175.6	172.5	0	0	0	0	110.5	Y158 L164 N165 E166	Y158-V162 HydrophobicContact CD1-CG2 4.43Å; Y158-V162 HydrophobicContact CD2-CG2 4.42Å; Y158-V162 HydrophobicContact CE1-CG2 4.01Å; Y158-V162 HydrophobicContact CE2-CG2 4.01Å; Y158-V162 WeakPolarHBondContact O-CG2 3.26Å; Y158-V162 PolarHBondContact O-N 2.84Å; V162-L164 PolarHBondContact O-N 2.89Å; V162-N165 WeakPolarHBondContact O-CB 3.36Å; V162-N165 PolarHBondContact O-N 2.53Å; V162-E166 WeakPolarHBondContact O-CG 3.3Å; V162-E166 PolarHBondContact O-N 3.08Å
163	Y	86.5	Confident	87.6	Confident	108 Å²	108	64.7 Å²	64.7	42%	0.424	30%	0.298	S	S	.	.	H	α-helix	trans	-60.3	-45.1	179.6	177	-109.2	0	0	0	113	V8 K159 R160 L161 N165 E166 A167	V8-Y163 HydrophobicContact CG1-CD1 4.31Å; V8-Y163 HydrophobicContact CG1-CE1 3.25Å; V8-Y163 VanDerWaalsContact CG1-CZ 3.46Å; V8-Y163 WeakPolarHBondContact CG1-OH 3.47Å; K159-Y163 VanDerWaalsContact O-CB 3.3Å; K159-Y163 WeakPolarHBondContact O-CB 3.43Å; K159-Y163 PolarHBondContact O-N 3.1Å; R160-Y163 PolarHBondContact O-N 3.19Å; L161-Y163 PolarHBondContact O-N 3.42Å; Y163-N165 VanDerWaalsContact C-N 3.35Å; Y163-E166 PolarHBondContact O-N 3.4Å; Y163-A167 WeakPolarHBondContact O-CB 2.84Å; Y163-A167 PolarHBondContact O-N 3.32Å
164	L	83.9	Confident	86.6	Confident	6 Å²	6	69.7 Å²	69.7	3%	0.031	33%	0.328	C	S	.	.	H	α-helix	trans	-67.5	-35.3	177.4	-72.1	172.3	0	0	0	112.4	V106 A111 R160 L161 V162 W168	V106-L164 HydrophobicContact CG1-CD2 4.4Å; A111-L164 HydrophobicContact CB-CD1 3.57Å; R160-L164 HydrophobicContact CG-CD1 4.02Å; R160-L164 WeakPolarHBondContact O-CB 3.34Å; R160-L164 WeakPolarHBondContact O-CG 3.45Å; R160-L164 PolarHBondContact O-N 2.97Å; L161-L164 PolarHBondContact O-N 3.1Å; V162-L164 PolarHBondContact O-N 2.89Å; L164-W168 WeakPolarHBondContact O-CB 3.21Å; L164-W168 PolarHBondContact O-N 2.8Å
165	N	85.7	Confident	85.5	Confident	70 Å²	70	75.1 Å²	75.1	37%	0.374	35%	0.352	S	S	.	.	H	α-helix	trans	-64.4	-44.9	176.5	-173.3	55.7	0	0	0	111.6	L161 V162 Y163 W168 K169	L161-N165 VanDerWaalsContact O-CB 3.29Å; L161-N165 WeakPolarHBondContact O-CB 3.42Å; L161-N165 PolarHBondContact O-N 2.98Å; V162-N165 WeakPolarHBondContact O-CB 3.36Å; V162-N165 PolarHBondContact O-N 2.53Å; Y163-N165 VanDerWaalsContact C-N 3.35Å; N165-W168 PolarHBondContact O-N 2.83Å; N165-K169 WeakPolarHBondContact O-CG 3.37Å; N165-K169 PolarHBondContact O-N 2.98Å
166	E	85.6	Confident	84.5	Confident	84 Å²	84	80 Å²	80	39%	0.393	37%	0.373	S	S	.	.	H	α-helix	trans	-65.9	-41.9	176.9	-65.9	-51.1	132.3	0	0	112	V162 Y163 W168 K169 Q170	V162-E166 WeakPolarHBondContact O-CG 3.3Å; V162-E166 PolarHBondContact O-N 3.08Å; Y163-E166 PolarHBondContact O-N 3.4Å; E166-W168 VanDerWaalsContact C-N 3.28Å; E166-W168 PolarHBondContact O-N 2.98Å; E166-K169 PolarHBondContact O-N 3.01Å; E166-K169 IonicContact OE1-NZ 3.97Å; E166-K169 PolarHBondContact OE1-NZ 3.02Å; E166-K169 IonicContact OE2-NZ 3.4Å; E166-Q170 WeakPolarHBondContact O-CG 3.34Å; E166-Q170 PolarHBondContact O-N 2.89Å; E166-Q170 VanDerWaalsContact O-N 3.09Å
167	A	81.7	Confident	82.9	Confident	12 Å²	12	88.6 Å²	88.6	10%	0.099	42%	0.419	C	S	.	.	H	α-helix	trans	-62.3	-36.1	174.7	0	0	0	0	0	112.6	L6 V8 Y163 Q171	L6-A167 HydrophobicContact CD2-CB 4.12Å; V8-A167 HydrophobicContact CG1-CB 4.44Å; V8-A167 HydrophobicContact CG2-CB 3.96Å; Y163-A167 WeakPolarHBondContact O-CB 2.84Å; Y163-A167 PolarHBondContact O-N 3.32Å; A167-Q171 WeakPolarHBondContact O-CG 3.49Å; A167-Q171 PolarHBondContact O-N 2.88Å
168	W	78.3	Confident	82.3	Confident	121 Å²	121	93 Å²	93	46%	0.458	44%	0.44	S	S	.	.	H	α-helix	trans	-68.8	-41.9	177	-172.4	64.4	0	0	0	112.2	L164 N165 E166 Q170 Q171 L172	L164-W168 WeakPolarHBondContact O-CB 3.21Å; L164-W168 PolarHBondContact O-N 2.8Å; N165-W168 PolarHBondContact O-N 2.83Å; E166-W168 VanDerWaalsContact C-N 3.28Å; E166-W168 PolarHBondContact O-N 2.98Å; W168-Q170 VanDerWaalsContact C-N 3.35Å; W168-Q170 PolarHBondContact O-N 2.89Å; W168-Q171 PolarHBondContact O-N 3.38Å; W168-L172 HydrophobicContact CD2-CD1 3.87Å; W168-L172 HydrophobicContact CD2-CG 4.5Å; W168-L172 HydrophobicContact CE3-CD1 3.81Å; W168-L172 HydrophobicContact CH2-CD1 3.72Å; W168-L172 HydrophobicContact CZ2-CD1 3.77Å; W168-L172 HydrophobicContact CZ2-CD2 4.49Å; W168-L172 HydrophobicContact CZ2-CG 4.47Å; W168-L172 HydrophobicContact CZ3-CD1 3.73Å; W168-L172 WeakPolarHBondContact O-CG 3.22Å; W168-L172 PolarHBondContact O-N 3.03Å
169	K	82.1	Confident	81.7	Confident	89 Å²	89	91.2 Å²	91.2	39%	0.387	44%	0.437	S	S	.	.	H	α-helix	trans	-58.6	-44.9	173.8	-72.5	176.3	-173.8	166.3	0	112.1	N165 E166 Q171 L172 Q173	N165-K169 WeakPolarHBondContact O-CG 3.37Å; N165-K169 PolarHBondContact O-N 2.98Å; E166-K169 PolarHBondContact O-N 3.01Å; E166-K169 IonicContact OE1-NZ 3.97Å; E166-K169 PolarHBondContact OE1-NZ 3.02Å; E166-K169 IonicContact OE2-NZ 3.4Å; K169-Q171 VanDerWaalsContact C-N 3.33Å; K169-Q171 PolarHBondContact O-N 3.01Å; K169-L172 PolarHBondContact O-N 3.33Å; K169-Q173 WeakPolarHBondContact O-CG 3.48Å; K169-Q173 PolarHBondContact O-N 2.84Å; K169-Q173 VanDerWaalsContact O-N 3.08Å
170	Q	82.6	Confident	81.1	Confident	125 Å²	125	89.4 Å²	89.4	58%	0.584	43%	0.432	S	S	*	.	H	α-helix	trans	-60.7	-41.8	177.7	-72.2	177.9	-13.1	0	0	112.1	E166 W168 L172 Q173 V174	E166-Q170 WeakPolarHBondContact O-CG 3.34Å; E166-Q170 PolarHBondContact O-N 2.89Å; E166-Q170 VanDerWaalsContact O-N 3.09Å; W168-Q170 VanDerWaalsContact C-N 3.35Å; W168-Q170 PolarHBondContact O-N 2.89Å; Q170-L172 VanDerWaalsContact C-N 3.33Å; Q170-L172 PolarHBondContact O-N 3.17Å; Q170-Q173 PolarHBondContact O-N 3.05Å; Q170-V174 WeakPolarHBondContact O-CG2 3.21Å; Q170-V174 PolarHBondContact O-N 3.29Å; Q170-V174 VanDerWaalsContact O-N 3.12Å
171	Q	77.6	Confident	80.6	Confident	75 Å²	75	94.5 Å²	94.5	35%	0.35	46%	0.456	S	S	.	.	H	α-helix	trans	-66.7	-32.4	176.6	-74.7	-168.7	-20.5	0	0	113.6	A167 W168 K169 K175	A167-Q171 WeakPolarHBondContact O-CG 3.49Å; A167-Q171 PolarHBondContact O-N 2.88Å; W168-Q171 PolarHBondContact O-N 3.38Å; K169-Q171 VanDerWaalsContact C-N 3.33Å; K169-Q171 PolarHBondContact O-N 3.01Å; Q171-K175 PolarHBondContact O-N 3.13Å
172	L	80.3	Confident	80	Confident	70 Å²	70	97.7 Å²	97.7	37%	0.366	47%	0.47	S	S	.	.	H	α-helix	trans	-68.5	-42	175.6	-74.1	170.2	0	0	0	111.4	W168 K169 Q170 K175 Q176	W168-L172 HydrophobicContact CD2-CD1 3.87Å; W168-L172 HydrophobicContact CD2-CG 4.5Å; W168-L172 HydrophobicContact CE3-CD1 3.81Å; W168-L172 HydrophobicContact CH2-CD1 3.72Å; W168-L172 HydrophobicContact CZ2-CD1 3.77Å; W168-L172 HydrophobicContact CZ2-CD2 4.49Å; W168-L172 HydrophobicContact CZ2-CG 4.47Å; W168-L172 HydrophobicContact CZ3-CD1 3.73Å; W168-L172 WeakPolarHBondContact O-CG 3.22Å; W168-L172 PolarHBondContact O-N 3.03Å; K169-L172 PolarHBondContact O-N 3.33Å; Q170-L172 VanDerWaalsContact C-N 3.33Å; Q170-L172 PolarHBondContact O-N 3.17Å; L172-K175 PolarHBondContact O-N 3.36Å; L172-Q176 WeakPolarHBondContact O-CG 3.47Å; L172-Q176 PolarHBondContact O-N 3.17Å
173	Q	79.4	Confident	79.4	Confident	117 Å²	117	100.2 Å²	100.2	55%	0.547	48%	0.478	S	S	.	.	H	α-helix	trans	-61.1	-48.7	176.3	-71.4	173.9	-29.2	0	0	111.4	K169 Q170 K175 Q176 D177	K169-Q173 WeakPolarHBondContact O-CG 3.48Å; K169-Q173 PolarHBondContact O-N 2.84Å; K169-Q173 VanDerWaalsContact O-N 3.08Å; Q170-Q173 PolarHBondContact O-N 3.05Å; Q173-K175 PolarHBondContact O-N 3.18Å; Q173-K175 VanDerWaalsContact O-N 3.15Å; Q173-Q176 PolarHBondContact O-N 3.38Å; Q173-D177 PolarHBondContact O-N 3.01Å; Q173-D177 VanDerWaalsContact O-N 3.16Å
174	V	76.9	Confident	78.8	Confident	106 Å²	106	99.6 Å²	99.6	64%	0.642	48%	0.481	S	S	*	.	H	α-helix	trans	-61.9	-24.4	178.1	174	0	0	0	0	113.5	Q170	Q170-V174 WeakPolarHBondContact O-CG2 3.21Å; Q170-V174 PolarHBondContact O-N 3.29Å; Q170-V174 VanDerWaalsContact O-N 3.12Å
175	K	74.1	Confident	78.5	Confident	164 Å²	164	106.8 Å²	106.8	71%	0.713	52%	0.516	S	S	*	.	H	α-helix	trans	-82.9	-17.6	174.9	-82.7	-174.9	175.4	-174.1	0	113.6	Q171 L172 Q173	Q171-K175 PolarHBondContact O-N 3.13Å; L172-K175 PolarHBondContact O-N 3.36Å; Q173-K175 PolarHBondContact O-N 3.18Å; Q173-K175 VanDerWaalsContact O-N 3.15Å
176	Q	74.3	Confident	77.9	Confident	164 Å²	164	109.9 Å²	109.9	77%	0.766	53%	0.528	S	S	*	.	H	α-helix	trans	-91.2	-27.2	179.9	-74	178.4	-45	0	0	112	L172 Q173	L172-Q176 WeakPolarHBondContact O-CG 3.47Å; L172-Q176 PolarHBondContact O-N 3.17Å; Q173-Q176 PolarHBondContact O-N 3.38Å
177	D	61.5	Low	77.2	Confident	192 Å²	192	112.3 Å²	112.3	100%	1.027	54%	0.54	S	S	*	.			trans	-77.8	0	169.3	-60	-26	0	0	0	111.9	Q173	Q173-D177 PolarHBondContact O-N 3.01Å; Q173-D177 VanDerWaalsContact O-N 3.16Å

Retrieved 177 of 177 residues in 478.9 ms (Link to these results)

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