A0A087XSF7_POEFO Loading...

Acyl-CoA-binding domain-containing protein 5

Acyl-CoA binding protein which acts as the peroxisome receptor for pexophagy but is dispensable for aggrephagy and nonselective autophagy. Binds medium- and long-chain acyl-CoA esters.

AlphaFold DB , UniProt , Accession A0A087XSF7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 462 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	54	Low	69.1	Low	186 Å²	186	113.3 Å²	113.3	92%	0.916	61%	0.611	S	S	*	*				0	-81.5	0	-68.8	-176.3	178	0	0	110.7	V3 E4 S5	M1-V3 VanDerWaalsContact C-N 3.3Å; M1-V3 PolarHBondContact O-N 3.24Å; M1-E4 VanDerWaalsContact CA-OE2 3.26Å; M1-E4 WeakPolarHBondContact CA-OE2 3.46Å; M1-E4 PolarHBondContact N-OE2 2.76Å; M1-E4 PolarHBondContact O-N 2.89Å; M1-S5 PolarHBondContact O-N 3.31Å; M1-S5 PolarHBondContact O-OG 3.48Å
2	E	56.8	Low	70.6	Confident	173 Å²	173	110.3 Å²	110.3	81%	0.808	59%	0.588	S	S	*	*	H	α-helix	trans	-57.1	-36.8	-175.8	-64.1	174.5	140.5	0	0	114.5	E4 S5	E2-E4 VanDerWaalsContact C-N 3.32Å; E2-E4 PolarHBondContact O-N 3.45Å; E2-S5 PolarHBondContact O-OG 3.42Å
3	V	58.2	Low	71.9	Confident	123 Å²	123	113.7 Å²	113.7	75%	0.745	59%	0.587	S	S	*	*	H	α-helix	trans	-68	-24.3	176.7	-102.6	0	0	0	0	114.6	M1	M1-V3 VanDerWaalsContact C-N 3.3Å; M1-V3 PolarHBondContact O-N 3.24Å
4	E	60.8	Low	72.9	Confident	136 Å²	136	109 Å²	109	64%	0.636	56%	0.563	S	S	*	*	H	α-helix	trans	-82.9	-38.1	-178.9	-69.6	155.1	114	0	0	111.2	M1 E2 V6 S7 A8	M1-E4 VanDerWaalsContact CA-OE2 3.26Å; M1-E4 WeakPolarHBondContact CA-OE2 3.46Å; M1-E4 PolarHBondContact N-OE2 2.76Å; M1-E4 PolarHBondContact O-N 2.89Å; E2-E4 VanDerWaalsContact C-N 3.32Å; E2-E4 PolarHBondContact O-N 3.45Å; E4-V6 PolarHBondContact O-N 3Å; E4-S7 PolarHBondContact O-N 3.18Å; E4-A8 PolarHBondContact O-N 3.45Å
5	S	62	Low	73.8	Confident	62 Å²	62	103.1 Å²	103.1	43%	0.434	53%	0.534	S	S	.	.	H	α-helix	trans	-61.7	-40.6	175.1	33.3	0	0	0	0	113	M1 E2 S7 A8 E9	M1-S5 PolarHBondContact O-N 3.31Å; M1-S5 PolarHBondContact O-OG 3.48Å; E2-S5 PolarHBondContact O-OG 3.42Å; S5-S7 VanDerWaalsContact C-N 3.34Å; S5-S7 PolarHBondContact O-N 2.86Å; S5-A8 PolarHBondContact O-N 3.38Å; S5-E9 PolarHBondContact O-N 3.36Å
6	V	67.3	Low	74.8	Confident	96 Å²	96	102.8 Å²	102.8	58%	0.582	53%	0.53	S	S	*	.	H	α-helix	trans	-63.5	-41.5	179.2	174.9	0	0	0	0	111.2	E4 E9 E10	E4-V6 PolarHBondContact O-N 3Å; V6-E9 PolarHBondContact O-N 3.38Å; V6-E10 WeakPolarHBondContact O-CB 3.26Å; V6-E10 PolarHBondContact O-N 3.41Å
7	S	74.2	Confident	75.6	Confident	76 Å²	76	105.5 Å²	105.5	53%	0.531	54%	0.536	S	S	.	.	H	α-helix	trans	-64.2	-39.4	177.5	-175.2	0	0	0	0	112.4	E4 S5 E10 Q11	E4-S7 PolarHBondContact O-N 3.18Å; S5-S7 VanDerWaalsContact C-N 3.34Å; S5-S7 PolarHBondContact O-N 2.86Å; S7-E10 PolarHBondContact O-N 3.28Å; S7-Q11 WeakPolarHBondContact O-CB 3.29Å; S7-Q11 PolarHBondContact O-N 3.12Å
8	A	77.8	Confident	76	Confident	62 Å²	62	100.9 Å²	100.9	51%	0.512	51%	0.511	S	S	.	.	H	α-helix	trans	-65.1	-44.9	175.6	0	0	0	0	0	112.5	E4 S5 E10 Q11 K12	E4-A8 PolarHBondContact O-N 3.45Å; S5-A8 PolarHBondContact O-N 3.38Å; A8-E10 PolarHBondContact O-N 3.12Å; A8-Q11 PolarHBondContact O-N 2.65Å; A8-K12 PolarHBondContact O-N 2.88Å
9	E	83.1	Confident	76.8	Confident	111 Å²	111	96.3 Å²	96.3	52%	0.519	49%	0.488	S	S	.	.	H	α-helix	trans	-63.8	-39.5	176.1	-75	-172.6	-149.2	0	0	112.8	S5 V6 K12 R13	S5-E9 PolarHBondContact O-N 3.36Å; V6-E9 PolarHBondContact O-N 3.38Å; E9-K12 PolarHBondContact O-N 2.99Å; E9-R13 WeakPolarHBondContact O-CG 3.37Å; E9-R13 PolarHBondContact O-N 3.4Å; E9-R13 IonicContact OE2-NH2 3.62Å
10	E	84.4	Confident	77.4	Confident	135 Å²	135	98.3 Å²	98.3	63%	0.631	50%	0.495	S	S	*	.	H	α-helix	trans	-64.6	-44.7	175.8	-176.6	162.8	-141.7	0	0	111.5	V6 S7 A8 K12 R13 L14	V6-E10 WeakPolarHBondContact O-CB 3.26Å; V6-E10 PolarHBondContact O-N 3.41Å; S7-E10 PolarHBondContact O-N 3.28Å; A8-E10 PolarHBondContact O-N 3.12Å; E10-K12 VanDerWaalsContact C-N 3.34Å; E10-K12 PolarHBondContact O-N 3.32Å; E10-R13 PolarHBondContact O-N 3.44Å; E10-L14 VanDerWaalsContact O-CB 3.26Å; E10-L14 WeakPolarHBondContact O-CB 3.32Å; E10-L14 PolarHBondContact O-N 2.92Å
11	Q	81.6	Confident	77.8	Confident	86 Å²	86	95.3 Å²	95.3	40%	0.402	49%	0.485	S	S	.	.	H	α-helix	trans	-62.9	-37.3	175.2	-178.8	69.2	-12	0	0	112.3	S7 A8 T15	S7-Q11 WeakPolarHBondContact O-CB 3.29Å; S7-Q11 PolarHBondContact O-N 3.12Å; A8-Q11 PolarHBondContact O-N 2.65Å; Q11-T15 WeakPolarHBondContact O-CB 3.32Å; Q11-T15 PolarHBondContact O-N 3.06Å; Q11-T15 PolarHBondContact O-OG1 3.32Å
12	K	87.1	Confident	79.3	Confident	77 Å²	77	86.4 Å²	86.4	34%	0.335	44%	0.442	S	S	.	.	H	α-helix	trans	-61.8	-53	172.4	179.9	172.2	-171	154.3	0	111.3	A8 E9 E10 L14 T15 Q16 E85	A8-K12 PolarHBondContact O-N 2.88Å; E9-K12 PolarHBondContact O-N 2.99Å; E10-K12 VanDerWaalsContact C-N 3.34Å; E10-K12 PolarHBondContact O-N 3.32Å; K12-L14 VanDerWaalsContact C-N 3.28Å; K12-L14 PolarHBondContact O-N 3.49Å; K12-T15 PolarHBondContact O-N 2.89Å; K12-T15 VanDerWaalsContact O-N 3.1Å; K12-Q16 PolarHBondContact O-N 3.1Å; K12-E85 VanDerWaalsContact CD-CD 3.47Å; K12-E85 HydrophobicContact CD-CG 3.98Å; K12-E85 VanDerWaalsContact CD-OE1 3.32Å; K12-E85 WeakPolarHBondContact CD-OE1 3.46Å; K12-E85 VanDerWaalsContact CE-OE1 3.24Å; K12-E85 WeakPolarHBondContact CE-OE1 3.49Å; K12-E85 HydrophobicContact CG-CG 4.06Å; K12-E85 IonicContact NZ-OE1 3.89Å; K12-E85 PolarHBondContact NZ-OE1 3.09Å
13	R	87.5	Confident	80.8	Confident	155 Å²	155	78.8 Å²	78.8	59%	0.585	41%	0.407	S	S	*	.	H	α-helix	trans	-58.8	-38.7	178.3	-71	172.6	-175.8	-179.1	7.4	112.2	E9 E10 K17	E9-R13 WeakPolarHBondContact O-CG 3.37Å; E9-R13 PolarHBondContact O-N 3.4Å; E9-R13 IonicContact OE2-NH2 3.62Å; E10-R13 PolarHBondContact O-N 3.44Å; R13-K17 WeakPolarHBondContact O-CG 3.26Å; R13-K17 PolarHBondContact O-N 3.48Å
14	L	85.8	Confident	82.1	Confident	48 Å²	48	80.5 Å²	80.5	25%	0.251	40%	0.404	S	S	.	.	H	α-helix	trans	-68.6	-37.3	176.7	-177.9	60.6	0	0	0	112.2	E10 K12 R18	E10-L14 VanDerWaalsContact O-CB 3.26Å; E10-L14 WeakPolarHBondContact O-CB 3.32Å; E10-L14 PolarHBondContact O-N 2.92Å; K12-L14 VanDerWaalsContact C-N 3.28Å; K12-L14 PolarHBondContact O-N 3.49Å; L14-R18 VanDerWaalsContact O-CG 3.32Å; L14-R18 WeakPolarHBondContact O-CG 3.46Å; L14-R18 PolarHBondContact O-N 3.4Å; L14-R18 VanDerWaalsContact O-N 3.12Å
15	T	86.4	Confident	83.1	Confident	20 Å²	20	74.5 Å²	74.5	12%	0.123	38%	0.377	C	S	.	.	H	α-helix	trans	-69.9	-40.9	175.9	-56.6	0	0	0	0	111.4	Q11 K12 R18 F19 M88 A89	Q11-T15 WeakPolarHBondContact O-CB 3.32Å; Q11-T15 PolarHBondContact O-N 3.06Å; Q11-T15 PolarHBondContact O-OG1 3.32Å; K12-T15 PolarHBondContact O-N 2.89Å; K12-T15 VanDerWaalsContact O-N 3.1Å; T15-R18 PolarHBondContact O-N 3.07Å; T15-F19 PolarHBondContact O-N 3.45Å; T15-M88 HydrophobicContact CG2-CB 3.96Å; T15-A89 HydrophobicContact CG2-CB 4.18Å
16	Q	89.8	Confident	84.1	Confident	99 Å²	99	73.6 Å²	73.6	46%	0.463	37%	0.367	S	S	.	.	H	α-helix	trans	-61	-46.7	174.1	-172.1	178.8	7.1	0	0	112.3	K12 R18 F19 E20 M88	K12-Q16 PolarHBondContact O-N 3.1Å; Q16-R18 VanDerWaalsContact C-N 3.33Å; Q16-R18 PolarHBondContact O-N 3.37Å; Q16-F19 PolarHBondContact O-N 3.3Å; Q16-E20 PolarHBondContact O-N 2.74Å; Q16-M88 HydrophobicContact CB-SD 4Å; Q16-M88 HydrophobicContact CG-CE 4.43Å; Q16-M88 HydrophobicContact CG-SD 4.1Å
17	K	87.8	Confident	84.9	Confident	148 Å²	148	76.1 Å²	76.1	64%	0.643	37%	0.37	S	S	*	.	H	α-helix	trans	-59.4	-40.5	174.5	-75.7	176.2	176.6	-177	0	112.9	R13 A21	R13-K17 WeakPolarHBondContact O-CG 3.26Å; R13-K17 PolarHBondContact O-N 3.48Å; K17-A21 WeakPolarHBondContact O-CB 3.37Å; K17-A21 PolarHBondContact O-N 3Å; K17-A21 VanDerWaalsContact O-N 3.12Å
18	R	83.7	Confident	85.3	Confident	23 Å²	23	75.8 Å²	75.8	9%	0.087	37%	0.368	C	S	.	.	H	α-helix	trans	-64.4	-45.1	175	-76.1	173.2	-179.3	139.8	0.7	111.2	L14 T15 Q16 A21 A22 V92 F118 L121	L14-R18 VanDerWaalsContact O-CG 3.32Å; L14-R18 WeakPolarHBondContact O-CG 3.46Å; L14-R18 PolarHBondContact O-N 3.4Å; L14-R18 VanDerWaalsContact O-N 3.12Å; T15-R18 PolarHBondContact O-N 3.07Å; Q16-R18 VanDerWaalsContact C-N 3.33Å; Q16-R18 PolarHBondContact O-N 3.37Å; R18-A21 PolarHBondContact O-N 2.95Å; R18-A22 WeakPolarHBondContact O-CB 3.33Å; R18-A22 PolarHBondContact O-N 3.18Å; R18-V92 HydrophobicContact CB-CG1 4.47Å; R18-V92 HydrophobicContact CB-CG2 3.88Å; R18-F118 HydrophobicContact CB-CD2 4.32Å; R18-F118 HydrophobicContact CB-CE2 3.87Å; R18-F118 HydrophobicContact CG-CD2 4.42Å; R18-F118 HydrophobicContact CG-CE2 4.3Å; R18-F118 VanDerWaalsContact O-CE2 3.26Å; R18-F118 WeakPolarHBondContact O-CE2 3.32Å; R18-L121 PolarHBondContact NH2-O 3.45Å
19	F	90.8	Very high	85.2	Confident	14 Å²	14	74.9 Å²	74.9	6%	0.061	35%	0.354	C	S	.	.	H	α-helix	trans	-60.2	-47.5	176.3	169.3	-106	0	0	0	112	T15 Q16 A21 A22 V23 Y49 A52 T53 M88 Y91 V92	T15-F19 PolarHBondContact O-N 3.45Å; Q16-F19 PolarHBondContact O-N 3.3Å; F19-A21 VanDerWaalsContact C-N 3.35Å; F19-A21 PolarHBondContact O-N 2.97Å; F19-A22 PolarHBondContact O-N 3.11Å; F19-V23 HydrophobicContact CD1-CG2 4.38Å; F19-V23 HydrophobicContact CD2-CG2 3.94Å; F19-V23 HydrophobicContact CE1-CG2 4.11Å; F19-V23 HydrophobicContact CE2-CG2 3.64Å; F19-V23 HydrophobicContact CG-CG2 4.32Å; F19-V23 HydrophobicContact CZ-CG2 3.74Å; F19-V23 WeakPolarHBondContact O-CB 3.46Å; F19-V23 VanDerWaalsContact O-CG2 3.26Å; F19-V23 WeakPolarHBondContact O-CG2 3.2Å; F19-V23 PolarHBondContact O-N 3Å; F19-Y49 HydrophobicContact CE1-CD2 4.49Å; F19-Y49 HydrophobicContact CE2-CD2 4.19Å; F19-Y49 AromaticContact CZ-CD2 3.6Å; F19-Y49 HydrophobicContact CZ-CD2 3.6Å; F19-Y49 HydrophobicContact CZ-CE2 4.15Å; F19-A52 HydrophobicContact CD2-CB 4.5Å; F19-A52 HydrophobicContact CE1-CB 4.05Å; F19-A52 HydrophobicContact CE2-CB 3.77Å; F19-A52 HydrophobicContact CZ-CB 3.5Å; F19-A52 VanDerWaalsContact CZ-CB 3.5Å; F19-T53 HydrophobicContact CE1-CG2 4.23Å; F19-T53 HydrophobicContact CZ-CG2 4.24Å; F19-M88 HydrophobicContact CB-CB 3.86Å; F19-M88 HydrophobicContact CB-CG 3.88Å; F19-M88 HydrophobicContact CB-SD 4.35Å; F19-M88 HydrophobicContact CD1-CE 4.35Å; F19-M88 HydrophobicContact CD1-CG 3.8Å; F19-M88 HydrophobicContact CD1-SD 4.15Å; F19-M88 HydrophobicContact CD2-CB 4.26Å; F19-M88 HydrophobicContact CD2-CG 4.04Å; F19-M88 HydrophobicContact CE1-CG 4.28Å; F19-M88 HydrophobicContact CG-CB 4.04Å; F19-M88 HydrophobicContact CG-CG 3.64Å; F19-M88 HydrophobicContact CG-SD 4.38Å; F19-Y91 AromaticContact CD2-CD1 3.8Å; F19-Y91 HydrophobicContact CD2-CD1 3.8Å; F19-Y91 HydrophobicContact CD2-CD2 4.32Å; F19-Y91 HydrophobicContact CD2-CE1 4.43Å; F19-Y91 AromaticContact CD2-CG 3.74Å; F19-Y91 HydrophobicContact CD2-CG 3.74Å; F19-Y91 HydrophobicContact CE2-CD1 4.1Å; F19-Y91 AromaticContact CE2-CD2 3.84Å; F19-Y91 HydrophobicContact CE2-CD2 3.84Å; F19-Y91 HydrophobicContact CE2-CE2 4.29Å; F19-Y91 AromaticContact CE2-CG 3.74Å; F19-Y91 HydrophobicContact CE2-CG 3.74Å; F19-V92 HydrophobicContact CB-CG2 4.42Å
20	E	89.3	Confident	84.9	Confident	135 Å²	135	73.3 Å²	73.3	63%	0.631	35%	0.354	S	S	*	.	H	α-helix	trans	-58	-45.3	177.4	-169.9	-171	161.4	0	0	112	Q16 V23 K24	Q16-E20 PolarHBondContact O-N 2.74Å; E20-V23 PolarHBondContact O-N 2.73Å; E20-K24 WeakPolarHBondContact O-CB 3.39Å; E20-K24 PolarHBondContact O-N 2.97Å
21	A	84.6	Confident	84.3	Confident	36 Å²	36	71.8 Å²	71.8	30%	0.298	36%	0.355	S	S	.	.	H	α-helix	trans	-62.2	-46.1	175.5	0	0	0	0	0	112.4	K17 R18 F19 V23 K24 V25 F118	K17-A21 WeakPolarHBondContact O-CB 3.37Å; K17-A21 PolarHBondContact O-N 3Å; K17-A21 VanDerWaalsContact O-N 3.12Å; R18-A21 PolarHBondContact O-N 2.95Å; F19-A21 VanDerWaalsContact C-N 3.35Å; F19-A21 PolarHBondContact O-N 2.97Å; A21-V23 PolarHBondContact O-N 3.4Å; A21-K24 WeakPolarHBondContact O-CB 3.25Å; A21-K24 PolarHBondContact O-N 3.34Å; A21-V25 WeakPolarHBondContact O-CG2 3.49Å; A21-V25 PolarHBondContact O-N 2.77Å; A21-F118 HydrophobicContact CB-CD2 4.15Å
22	A	85.8	Confident	83.8	Confident	0 Å²	0	74.5 Å²	74.5	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-64.3	-39.2	178	0	0	0	0	0	112.5	R18 F19 K24 V25 I26 Y91 V92 F118	R18-A22 WeakPolarHBondContact O-CB 3.33Å; R18-A22 PolarHBondContact O-N 3.18Å; F19-A22 PolarHBondContact O-N 3.11Å; A22-K24 VanDerWaalsContact C-N 3.35Å; A22-V25 PolarHBondContact O-N 3.4Å; A22-I26 PolarHBondContact O-N 3.21Å; A22-Y91 HydrophobicContact CB-CD1 3.98Å; A22-Y91 HydrophobicContact CB-CE1 3.79Å; A22-V92 HydrophobicContact CB-CG2 4.47Å; A22-F118 HydrophobicContact CB-CE2 3.98Å; A22-F118 HydrophobicContact CB-CZ 4.01Å
23	V	88.9	Confident	82.9	Confident	12 Å²	12	71.3 Å²	71.3	7%	0.073	36%	0.361	C	S	.	.	H	α-helix	trans	-62.7	-41.7	173.5	166.5	0	0	0	0	111	F19 E20 A21 I26 K27 Y49 Y91	F19-V23 HydrophobicContact CD1-CG2 4.38Å; F19-V23 HydrophobicContact CD2-CG2 3.94Å; F19-V23 HydrophobicContact CE1-CG2 4.11Å; F19-V23 HydrophobicContact CE2-CG2 3.64Å; F19-V23 HydrophobicContact CG-CG2 4.32Å; F19-V23 HydrophobicContact CZ-CG2 3.74Å; F19-V23 WeakPolarHBondContact O-CB 3.46Å; F19-V23 VanDerWaalsContact O-CG2 3.26Å; F19-V23 WeakPolarHBondContact O-CG2 3.2Å; F19-V23 PolarHBondContact O-N 3Å; E20-V23 PolarHBondContact O-N 2.73Å; A21-V23 PolarHBondContact O-N 3.4Å; V23-I26 PolarHBondContact O-N 3.04Å; V23-K27 HydrophobicContact CG1-CD 3.94Å; V23-K27 WeakPolarHBondContact O-CB 3.24Å; V23-K27 VanDerWaalsContact O-CG 3.3Å; V23-K27 WeakPolarHBondContact O-CG 3.32Å; V23-K27 PolarHBondContact O-N 3.04Å; V23-Y49 HydrophobicContact CG1-CD2 4.28Å; V23-Y49 HydrophobicContact CG1-CE2 3.82Å; V23-Y49 HydrophobicContact CG2-CD2 3.74Å; V23-Y49 HydrophobicContact CG2-CE2 4Å; V23-Y91 HydrophobicContact CG2-CD1 4.42Å; V23-Y91 HydrophobicContact CG2-CE1 3.69Å; V23-Y91 HydrophobicContact CG2-CE2 4.24Å
24	K	86.5	Confident	81.8	Confident	159 Å²	159	68.2 Å²	68.2	69%	0.691	36%	0.361	S	S	*	.	H	α-helix	trans	-62.5	-43.5	175.5	-172.5	177.9	-179.1	178	0	111.3	E20 A21 A22 K27 S28	E20-K24 WeakPolarHBondContact O-CB 3.39Å; E20-K24 PolarHBondContact O-N 2.97Å; A21-K24 WeakPolarHBondContact O-CB 3.25Å; A21-K24 PolarHBondContact O-N 3.34Å; A22-K24 VanDerWaalsContact C-N 3.35Å; K24-K27 PolarHBondContact O-N 2.86Å; K24-S28 WeakPolarHBondContact O-CB 3.45Å; K24-S28 PolarHBondContact O-N 2.73Å; K24-S28 PolarHBondContact O-OG 3.44Å
25	V	80.3	Confident	81	Confident	11 Å²	11	68.1 Å²	68.1	7%	0.067	36%	0.359	C	S	.	.	H	α-helix	trans	-59.9	-52.3	175.8	171.9	0	0	0	0	111	A21 A22 K27 S28 L29 M95 L111 L115	A21-V25 WeakPolarHBondContact O-CG2 3.49Å; A21-V25 PolarHBondContact O-N 2.77Å; A22-V25 PolarHBondContact O-N 3.4Å; V25-K27 VanDerWaalsContact C-N 3.3Å; V25-K27 PolarHBondContact O-N 3.28Å; V25-S28 WeakPolarHBondContact CA-OG 3.46Å; V25-S28 CarbonylContact O-C 3.56Å; V25-S28 WeakPolarHBondContact O-CA 3.4Å; V25-S28 PolarHBondContact O-N 3.22Å; V25-S28 PolarHBondContact O-OG 3.25Å; V25-L29 PolarHBondContact O-N 3.16Å; V25-L29 VanDerWaalsContact O-N 3.1Å; V25-M95 HydrophobicContact CG1-CE 4.45Å; V25-L111 HydrophobicContact CG1-CD1 3.79Å; V25-L115 HydrophobicContact CB-CD2 4.35Å; V25-L115 HydrophobicContact CG1-CD2 4.07Å; V25-L115 HydrophobicContact CG1-CG 4.22Å; V25-L115 HydrophobicContact CG2-CD2 3.86Å; V25-L115 HydrophobicContact CG2-CG 4.23Å
26	I	83.7	Confident	80.4	Confident	43 Å²	43	73.4 Å²	73.4	22%	0.221	38%	0.382	C	S	.	.	H	α-helix	trans	-59.5	-38.7	179.1	-77.6	167.8	0	0	0	112.3	A22 V23 S28 L29 F45 Y91 M95	A22-I26 PolarHBondContact O-N 3.21Å; V23-I26 PolarHBondContact O-N 3.04Å; I26-S28 VanDerWaalsContact C-N 3.26Å; I26-S28 PolarHBondContact O-N 3Å; I26-L29 HydrophobicContact CG1-CD1 4.43Å; I26-L29 PolarHBondContact O-N 3.29Å; I26-F45 HydrophobicContact CD1-CB 4.41Å; I26-F45 HydrophobicContact CD1-CD1 3.59Å; I26-F45 HydrophobicContact CD1-CD2 3.73Å; I26-F45 HydrophobicContact CD1-CE1 3.63Å; I26-F45 HydrophobicContact CD1-CE2 3.75Å; I26-F45 HydrophobicContact CD1-CG 3.66Å; I26-F45 HydrophobicContact CD1-CZ 3.71Å; I26-Y91 HydrophobicContact CD1-CE1 3.87Å; I26-Y91 WeakPolarHBondContact CD1-OH 3.46Å; I26-M95 HydrophobicContact CD1-CE 3.47Å; I26-M95 VanDerWaalsContact CD1-CE 3.47Å; I26-M95 HydrophobicContact CG1-CE 3.45Å; I26-M95 VanDerWaalsContact CG1-CE 3.45Å
27	K	84.2	Confident	80	Confident	149 Å²	149	70.2 Å²	70.2	65%	0.648	37%	0.37	S	S	*	.	H	α-helix	trans	-69.1	-20.9	174.7	-72.8	174.7	178.4	179.3	0	113.8	V23 K24 V25	V23-K27 HydrophobicContact CG1-CD 3.94Å; V23-K27 WeakPolarHBondContact O-CB 3.24Å; V23-K27 VanDerWaalsContact O-CG 3.3Å; V23-K27 WeakPolarHBondContact O-CG 3.32Å; V23-K27 PolarHBondContact O-N 3.04Å; K24-K27 PolarHBondContact O-N 2.86Å; V25-K27 VanDerWaalsContact C-N 3.3Å; V25-K27 PolarHBondContact O-N 3.28Å
28	S	81.3	Confident	79.9	Confident	69 Å²	69	66.3 Å²	66.3	48%	0.483	36%	0.361	S	S	.	.	H	α-helix	trans	-94.9	-8.6	178.2	66.2	0	0	0	0	114.6	K24 V25 I26	K24-S28 WeakPolarHBondContact O-CB 3.45Å; K24-S28 PolarHBondContact O-N 2.73Å; K24-S28 PolarHBondContact O-OG 3.44Å; V25-S28 WeakPolarHBondContact CA-OG 3.46Å; V25-S28 CarbonylContact O-C 3.56Å; V25-S28 WeakPolarHBondContact O-CA 3.4Å; V25-S28 PolarHBondContact O-N 3.22Å; V25-S28 PolarHBondContact O-OG 3.25Å; I26-S28 VanDerWaalsContact C-N 3.26Å; I26-S28 PolarHBondContact O-N 3Å
29	L	77.4	Confident	80.3	Confident	42 Å²	42	69.8 Å²	69.8	22%	0.22	38%	0.382	C	S	.	.	S	Bend	trans	-62.5	129.1	175.2	-73	174.3	0	0	0	110.1	V25 I26 F35 L111	V25-L29 PolarHBondContact O-N 3.16Å; V25-L29 VanDerWaalsContact O-N 3.1Å; I26-L29 HydrophobicContact CG1-CD1 4.43Å; I26-L29 PolarHBondContact O-N 3.29Å; L29-F35 HydrophobicContact CD1-CD1 4.26Å; L29-F35 HydrophobicContact CD1-CE1 4.3Å; L29-L111 HydrophobicContact CD2-CD1 3.68Å; L29-L111 HydrophobicContact CD2-CD2 4.07Å
30	P	76.1	Confident	80.3	Confident	79 Å²	79	74.3 Å²	74.3	51%	0.513	41%	0.406	S	S	.	.			trans	-65.5	132.3	174.5	25.7	-31.7	0	0	0	109.8	N32 G33	P30-N32 PolarHBondContact O-N 3.12Å; P30-G33 PolarHBondContact O-N 3.06Å
31	P	71.3	Confident	80.3	Confident	102 Å²	102	70.1 Å²	70.1	66%	0.662	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-26.9	-175.2	26.1	-35	0	0	0	112.9
32	N	70.6	Confident	80.6	Confident	144 Å²	144	73.1 Å²	73.1	77%	0.77	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	31.6	174.9	-57	1	0	0	0	110.7	P30	P30-N32 PolarHBondContact O-N 3.12Å
33	G	69.9	Low	81.1	Confident	9 Å²	9	74.2 Å²	74.2	9%	0.093	40%	0.402	C	S	.	.	S	Bend	trans	-70.7	169.5	-179.8	0	0	0	0	0	113.7	P30 F35 Q36	P30-G33 PolarHBondContact O-N 3.06Å; G33-F35 VanDerWaalsContact C-N 3.27Å; G33-Q36 PolarHBondContact O-NE2 2.68Å
34	P	64.4	Low	81.3	Confident	90 Å²	90	78.1 Å²	78.1	58%	0.584	42%	0.418	S	S	*	.	S	Bend	trans	-65.6	-33.1	170.8	28.5	-35.2	0	0	0	111.5	E107	P34-E107 VanDerWaalsContact CB-CD 3.43Å; P34-E107 HydrophobicContact CB-CG 4.42Å; P34-E107 WeakPolarHBondContact CB-OE1 3.46Å; P34-E107 HydrophobicContact CG-CB 3.8Å; P34-E107 VanDerWaalsContact CG-CD 3.42Å; P34-E107 HydrophobicContact CG-CG 3.87Å; P34-E107 WeakPolarHBondContact CG-OE1 3.45Å
35	F	67.9	Low	81.7	Confident	47 Å²	47	71.2 Å²	71.2	21%	0.206	39%	0.388	C	S	.	.			trans	-94.1	114.5	165.9	176.9	-107	0	0	0	110.5	L29 G33 P37 M41 I98 M102	L29-F35 HydrophobicContact CD1-CD1 4.26Å; L29-F35 HydrophobicContact CD1-CE1 4.3Å; G33-F35 VanDerWaalsContact C-N 3.27Å; F35-P37 HydrophobicContact CE1-CB 3.87Å; F35-P37 HydrophobicContact CE1-CG 4.14Å; F35-P37 HydrophobicContact CZ-CB 3.81Å; F35-M41 HydrophobicContact CE2-CE 4.28Å; F35-M41 HydrophobicContact CZ-CE 3.87Å; F35-I98 HydrophobicContact CE1-CG2 4.17Å; F35-I98 HydrophobicContact CE2-CG2 3.78Å; F35-I98 HydrophobicContact CZ-CD1 4.45Å; F35-I98 HydrophobicContact CZ-CG2 3.42Å; F35-I98 VanDerWaalsContact CZ-CG2 3.42Å; F35-M102 HydrophobicContact CB-SD 4.29Å; F35-M102 HydrophobicContact CD2-CG 4.4Å; F35-M102 HydrophobicContact CD2-SD 3.31Å; F35-M102 WeakPolarHBondContact CD2-SD 3.45Å; F35-M102 HydrophobicContact CE2-CG 4.48Å; F35-M102 HydrophobicContact CE2-SD 3.73Å; F35-M102 HydrophobicContact CG-SD 3.82Å
36	Q	75.1	Confident	82.4	Confident	131 Å²	131	73.3 Å²	73.3	61%	0.612	40%	0.395	S	S	*	.			trans	-114	113.9	167.6	-68.4	176	38.9	0	0	108.6	G33 S38	G33-Q36 PolarHBondContact O-NE2 2.68Å; Q36-S38 PolarHBondContact O-N 3.21Å
37	P	79.5	Confident	83.1	Confident	32 Å²	32	71.5 Å²	71.5	21%	0.208	39%	0.386	C	S	.	.			trans	-66.7	133	177.5	26.1	-32.2	0	0	0	110.2	F35 M41 M42	F35-P37 HydrophobicContact CE1-CB 3.87Å; F35-P37 HydrophobicContact CE1-CG 4.14Å; F35-P37 HydrophobicContact CZ-CB 3.81Å; P37-M41 HydrophobicContact CB-CB 4.24Å; P37-M41 HydrophobicContact CB-CE 4.12Å; P37-M42 HydrophobicContact CB-CG 4.1Å; P37-M42 HydrophobicContact CG-CG 3.78Å; P37-M42 HydrophobicContact CG-SD 4.25Å
38	S	87.4	Confident	83.7	Confident	65 Å²	65	66.6 Å²	66.6	46%	0.455	36%	0.364	S	S	.	.			trans	-54.4	152.1	175.2	178.9	0	0	0	0	111.6	Q36 D40 M41 M42	Q36-S38 PolarHBondContact O-N 3.21Å; S38-D40 PolarHBondContact O-N 3.04Å; S38-D40 VanDerWaalsContact O-N 3.16Å; S38-M41 VanDerWaalsContact CB-SD 3.58Å; S38-M41 PolarHBondContact N-SD 2.75Å; S38-M41 VanDerWaalsContact N-SD 3.42Å; S38-M41 WeakPolarHBondContact O-CA 3.45Å; S38-M41 VanDerWaalsContact O-CB 3.31Å; S38-M41 WeakPolarHBondContact O-CB 3.26Å; S38-M41 PolarHBondContact O-N 2.97Å; S38-M42 PolarHBondContact O-N 3.33Å
39	N	90.3	Very high	84.4	Confident	97 Å²	97	66.8 Å²	66.8	52%	0.519	36%	0.355	S	S	.	.	H	α-helix	trans	-51.6	-40.9	-179.9	-173.3	38.8	0	0	0	112.3	M41 M42 L43	N39-M41 VanDerWaalsContact C-N 3.31Å; N39-M41 PolarHBondContact O-N 2.93Å; N39-M42 PolarHBondContact O-N 2.84Å; N39-L43 WeakPolarHBondContact O-CB 3.31Å; N39-L43 VanDerWaalsContact O-CG 3.28Å; N39-L43 WeakPolarHBondContact O-CG 3.28Å; N39-L43 PolarHBondContact O-N 2.95Å
40	D	91.5	Very high	85.4	Confident	108 Å²	108	67 Å²	67	58%	0.578	35%	0.354	S	S	*	.	H	α-helix	trans	-65.9	-32.8	177.3	-64.7	-17.2	0	0	0	112.8	S38 L43 K44	S38-D40 PolarHBondContact O-N 3.04Å; S38-D40 VanDerWaalsContact O-N 3.16Å; D40-L43 PolarHBondContact O-N 3.4Å; D40-K44 WeakPolarHBondContact O-CG 3.36Å; D40-K44 PolarHBondContact O-N 3.23Å
41	M	90.4	Very high	86.4	Confident	47 Å²	47	63.2 Å²	63.2	23%	0.232	33%	0.329	C	S	.	.	H	α-helix	trans	-71.9	-41.7	175.7	-59.1	158.5	59.2	0	0	110.2	F35 P37 S38 N39 L43 K44 F45 I98	F35-M41 HydrophobicContact CE2-CE 4.28Å; F35-M41 HydrophobicContact CZ-CE 3.87Å; P37-M41 HydrophobicContact CB-CB 4.24Å; P37-M41 HydrophobicContact CB-CE 4.12Å; S38-M41 VanDerWaalsContact CB-SD 3.58Å; S38-M41 PolarHBondContact N-SD 2.75Å; S38-M41 VanDerWaalsContact N-SD 3.42Å; S38-M41 WeakPolarHBondContact O-CA 3.45Å; S38-M41 VanDerWaalsContact O-CB 3.31Å; S38-M41 WeakPolarHBondContact O-CB 3.26Å; S38-M41 PolarHBondContact O-N 2.97Å; N39-M41 VanDerWaalsContact C-N 3.31Å; N39-M41 PolarHBondContact O-N 2.93Å; M41-L43 VanDerWaalsContact C-N 3.34Å; M41-K44 PolarHBondContact O-N 3.48Å; M41-F45 WeakPolarHBondContact O-CD2 3.36Å; M41-F45 PolarHBondContact O-N 3.43Å; M41-I98 HydrophobicContact CE-CD1 3.42Å; M41-I98 VanDerWaalsContact CE-CD1 3.42Å; M41-I98 HydrophobicContact CE-CG1 3.67Å; M41-I98 HydrophobicContact CE-CG2 4.35Å
42	M	90.6	Very high	87.6	Confident	99 Å²	99	58.6 Å²	58.6	49%	0.488	30%	0.3	S	S	.	.	H	α-helix	trans	-62.9	-38.8	171.8	-67.1	-165.8	-75	0	0	112.2	P37 S38 N39 F45 Y46	P37-M42 HydrophobicContact CB-CG 4.1Å; P37-M42 HydrophobicContact CG-CG 3.78Å; P37-M42 HydrophobicContact CG-SD 4.25Å; S38-M42 PolarHBondContact O-N 3.33Å; N39-M42 PolarHBondContact O-N 2.84Å; M42-F45 PolarHBondContact O-N 3.23Å; M42-Y46 VanDerWaalsContact O-CB 3.29Å; M42-Y46 WeakPolarHBondContact O-CB 3.35Å; M42-Y46 PolarHBondContact O-N 3.4Å
43	L	95	Very high	88.7	Confident	24 Å²	24	54.9 Å²	54.9	13%	0.126	28%	0.282	C	S	.	.	H	α-helix	trans	-66.2	-39.7	176	-74.9	169.6	0	0	0	112.2	N39 D40 M41 Y46 S47 A71 K72 A75	N39-L43 WeakPolarHBondContact O-CB 3.31Å; N39-L43 VanDerWaalsContact O-CG 3.28Å; N39-L43 WeakPolarHBondContact O-CG 3.28Å; N39-L43 PolarHBondContact O-N 2.95Å; D40-L43 PolarHBondContact O-N 3.4Å; M41-L43 VanDerWaalsContact C-N 3.34Å; L43-Y46 PolarHBondContact O-N 2.91Å; L43-S47 PolarHBondContact O-N 2.9Å; L43-S47 PolarHBondContact O-OG 2.8Å; L43-A71 HydrophobicContact CD1-CB 4.26Å; L43-A71 HydrophobicContact CD2-CB 4.18Å; L43-K72 HydrophobicContact CD2-CB 4.38Å; L43-K72 HydrophobicContact CD2-CG 3.65Å; L43-A75 HydrophobicContact CB-CB 4.2Å; L43-A75 HydrophobicContact CD2-CB 4.4Å
44	K	94.6	Very high	89.9	Confident	93 Å²	93	58 Å²	58	40%	0.404	30%	0.296	S	S	.	.	H	α-helix	trans	-63.7	-46.9	171.9	-74.2	176	179.7	-177.9	0	112.5	D40 M41 Y46 S47 Y48 Q94	D40-K44 WeakPolarHBondContact O-CG 3.36Å; D40-K44 PolarHBondContact O-N 3.23Å; M41-K44 PolarHBondContact O-N 3.48Å; K44-Y46 VanDerWaalsContact C-N 3.29Å; K44-Y46 PolarHBondContact O-N 3.22Å; K44-S47 PolarHBondContact O-N 3.38Å; K44-S47 PolarHBondContact O-OG 2.88Å; K44-Y48 HydrophobicContact CB-CD2 4.46Å; K44-Y48 HydrophobicContact CB-CE2 4.19Å; K44-Y48 WeakPolarHBondContact O-CD2 3.14Å; K44-Y48 PolarHBondContact O-N 2.92Å; K44-Q94 HydrophobicContact CB-CG 4.48Å; K44-Q94 HydrophobicContact CD-CG 4.5Å; K44-Q94 VanDerWaalsContact CD-OE1 3.23Å
45	F	94.6	Very high	91.3	Very high	14 Å²	14	54 Å²	54	6%	0.061	27%	0.271	C	S	.	.	H	α-helix	trans	-63.2	-38.5	175.4	-73.7	-54.2	0	0	0	111.8	I26 M41 M42 Y49 Y91 Q94 M95 I98	I26-F45 HydrophobicContact CD1-CB 4.41Å; I26-F45 HydrophobicContact CD1-CD1 3.59Å; I26-F45 HydrophobicContact CD1-CD2 3.73Å; I26-F45 HydrophobicContact CD1-CE1 3.63Å; I26-F45 HydrophobicContact CD1-CE2 3.75Å; I26-F45 HydrophobicContact CD1-CG 3.66Å; I26-F45 HydrophobicContact CD1-CZ 3.71Å; M41-F45 WeakPolarHBondContact O-CD2 3.36Å; M41-F45 PolarHBondContact O-N 3.43Å; M42-F45 PolarHBondContact O-N 3.23Å; F45-Y49 WeakPolarHBondContact O-CB 3.27Å; F45-Y49 PolarHBondContact O-N 3.18Å; F45-Y91 HydrophobicContact CB-CD2 4.49Å; F45-Y91 HydrophobicContact CB-CE2 3.86Å; F45-Y91 HydrophobicContact CD1-CD1 4.32Å; F45-Y91 AromaticContact CD1-CD2 3.8Å; F45-Y91 HydrophobicContact CD1-CD2 3.8Å; F45-Y91 HydrophobicContact CD1-CE1 4.19Å; F45-Y91 AromaticContact CD1-CE2 3.63Å; F45-Y91 HydrophobicContact CD1-CE2 3.63Å; F45-Y91 HydrophobicContact CD1-CG 4.14Å; F45-Y91 AromaticContact CD1-CZ 3.85Å; F45-Y91 HydrophobicContact CG-CE2 4.17Å; F45-Y91 WeakPolarHBondContact O-CE2 3.22Å; F45-Q94 HydrophobicContact CD1-CG 4.43Å; F45-Q94 HydrophobicContact CE1-CB 4.05Å; F45-Q94 HydrophobicContact CE1-CG 3.87Å; F45-Q94 HydrophobicContact CZ-CB 4.47Å; F45-Q94 HydrophobicContact CZ-CG 3.97Å; F45-M95 HydrophobicContact CE1-CB 4.33Å; F45-M95 HydrophobicContact CZ-CB 4.43Å; F45-I98 HydrophobicContact CE2-CD1 3.38Å; F45-I98 HydrophobicContact CZ-CD1 3.5Å
46	Y	95.6	Very high	92.7	Very high	56 Å²	56	55 Å²	55	22%	0.22	28%	0.282	C	S	.	.	H	α-helix	trans	-61.2	-48.8	173.7	175.7	-94.4	0	0	0	111.7	M42 L43 K44 Y49 K50 K72 W76	M42-Y46 VanDerWaalsContact O-CB 3.29Å; M42-Y46 WeakPolarHBondContact O-CB 3.35Å; M42-Y46 PolarHBondContact O-N 3.4Å; L43-Y46 PolarHBondContact O-N 2.91Å; K44-Y46 VanDerWaalsContact C-N 3.29Å; K44-Y46 PolarHBondContact O-N 3.22Å; Y46-Y49 PolarHBondContact O-N 3.4Å; Y46-K50 HydrophobicContact CD1-CG 4.25Å; Y46-K50 HydrophobicContact CD2-CG 4.15Å; Y46-K50 HydrophobicContact CE1-CG 3.77Å; Y46-K50 HydrophobicContact CE2-CD 3.84Å; Y46-K50 HydrophobicContact CE2-CG 3.69Å; Y46-K50 HydrophobicContact CG-CG 4.42Å; Y46-K50 VanDerWaalsContact CZ-CG 3.47Å; Y46-K50 VanDerWaalsContact O-CG 3.23Å; Y46-K50 WeakPolarHBondContact O-CG 3.44Å; Y46-K50 PolarHBondContact O-N 2.84Å; Y46-K72 HydrophobicContact CD1-CB 3.9Å; Y46-K72 HydrophobicContact CD1-CG 4.1Å; Y46-K72 HydrophobicContact CE1-CB 3.59Å; Y46-K72 HydrophobicContact CE1-CG 4.2Å; Y46-K72 VanDerWaalsContact CE1-O 3.31Å; Y46-K72 WeakPolarHBondContact CE1-O 3.39Å; Y46-K72 HydrophobicContact CG-CG 4.43Å; Y46-W76 HydrophobicContact CE1-CB 4.43Å
47	S	96.7	Very high	93.7	Very high	5 Å²	5	50 Å²	50	4%	0.035	26%	0.262	C	S	.	.	H	α-helix	trans	-64.2	-49.7	-177.9	62	0	0	0	0	112.2	L43 K44 Y49 K50 Q51 A75 L79	L43-S47 PolarHBondContact O-N 2.9Å; L43-S47 PolarHBondContact O-OG 2.8Å; K44-S47 PolarHBondContact O-N 3.38Å; K44-S47 PolarHBondContact O-OG 2.88Å; S47-Y49 VanDerWaalsContact C-N 3.33Å; S47-Y49 PolarHBondContact O-N 3.42Å; S47-K50 PolarHBondContact O-N 3.27Å; S47-Q51 WeakPolarHBondContact O-CB 3.49Å; S47-Q51 PolarHBondContact O-N 2.72Å; S47-A75 VanDerWaalsContact CB-C 3.44Å; S47-A75 WeakPolarHBondContact CB-O 3.46Å; S47-L79 VanDerWaalsContact C-CD1 3.45Å; S47-L79 WeakPolarHBondContact O-CD1 3.4Å
48	Y	97.3	Very high	94.3	Very high	46 Å²	46	53.9 Å²	53.9	18%	0.18	28%	0.281	C	S	.	.	H	α-helix	trans	-61.6	-39.8	176.2	-64.1	-48.1	0	0	0	111.9	K44 K50 Q51 A52 L79 M82 A90 Q94	K44-Y48 HydrophobicContact CB-CD2 4.46Å; K44-Y48 HydrophobicContact CB-CE2 4.19Å; K44-Y48 WeakPolarHBondContact O-CD2 3.14Å; K44-Y48 PolarHBondContact O-N 2.92Å; Y48-K50 PolarHBondContact O-N 3.26Å; Y48-Q51 PolarHBondContact O-N 3.4Å; Y48-A52 WeakPolarHBondContact O-CB 3.37Å; Y48-A52 PolarHBondContact O-N 2.88Å; Y48-L79 HydrophobicContact CD1-CD1 3.75Å; Y48-L79 HydrophobicContact CD1-CD2 4.11Å; Y48-L79 HydrophobicContact CE1-CD1 4.21Å; Y48-L79 HydrophobicContact CE1-CD2 3.7Å; Y48-M82 HydrophobicContact CD1-SD 4.14Å; Y48-M82 HydrophobicContact CE1-CE 4.38Å; Y48-M82 HydrophobicContact CE1-SD 4.16Å; Y48-A90 HydrophobicContact CD1-CB 3.74Å; Y48-A90 HydrophobicContact CD2-CB 4.38Å; Y48-A90 HydrophobicContact CE1-CB 3.54Å; Y48-A90 HydrophobicContact CE2-CB 4.2Å; Y48-A90 HydrophobicContact CG-CB 4.18Å; Y48-Q94 HydrophobicContact CE2-CB 4.28Å; Y48-Q94 HydrophobicContact CE2-CG 4.47Å
49	Y	96.8	Very high	94.6	Very high	73 Å²	73	54.3 Å²	54.3	29%	0.286	28%	0.277	S	S	.	.	H	α-helix	trans	-61.7	-43.5	175.7	178.3	-103.6	0	0	0	112.3	F19 V23 F45 Y46 S47 A52 T53	F19-Y49 HydrophobicContact CE1-CD2 4.49Å; F19-Y49 HydrophobicContact CE2-CD2 4.19Å; F19-Y49 AromaticContact CZ-CD2 3.6Å; F19-Y49 HydrophobicContact CZ-CD2 3.6Å; F19-Y49 HydrophobicContact CZ-CE2 4.15Å; V23-Y49 HydrophobicContact CG1-CD2 4.28Å; V23-Y49 HydrophobicContact CG1-CE2 3.82Å; V23-Y49 HydrophobicContact CG2-CD2 3.74Å; V23-Y49 HydrophobicContact CG2-CE2 4Å; F45-Y49 WeakPolarHBondContact O-CB 3.27Å; F45-Y49 PolarHBondContact O-N 3.18Å; Y46-Y49 PolarHBondContact O-N 3.4Å; S47-Y49 VanDerWaalsContact C-N 3.33Å; S47-Y49 PolarHBondContact O-N 3.42Å; Y49-A52 PolarHBondContact O-N 2.9Å; Y49-T53 HydrophobicContact CD2-CG2 4.31Å; Y49-T53 HydrophobicContact CE2-CG2 3.96Å; Y49-T53 WeakPolarHBondContact O-CB 3.44Å; Y49-T53 WeakPolarHBondContact O-CG2 3.21Å; Y49-T53 PolarHBondContact O-N 3.43Å; Y49-T53 PolarHBondContact O-OG1 3.18Å
50	K	97.1	Very high	94.9	Very high	45 Å²	45	55.3 Å²	55.3	20%	0.196	29%	0.289	C	S	.	.	H	α-helix	trans	-67.4	-43.8	178.4	-67.2	-68.2	-67	-177.7	0	111.5	Y46 S47 Y48 A52 T53 I54 W76	Y46-K50 HydrophobicContact CD1-CG 4.25Å; Y46-K50 HydrophobicContact CD2-CG 4.15Å; Y46-K50 HydrophobicContact CE1-CG 3.77Å; Y46-K50 HydrophobicContact CE2-CD 3.84Å; Y46-K50 HydrophobicContact CE2-CG 3.69Å; Y46-K50 HydrophobicContact CG-CG 4.42Å; Y46-K50 VanDerWaalsContact CZ-CG 3.47Å; Y46-K50 VanDerWaalsContact O-CG 3.23Å; Y46-K50 WeakPolarHBondContact O-CG 3.44Å; Y46-K50 PolarHBondContact O-N 2.84Å; S47-K50 PolarHBondContact O-N 3.27Å; Y48-K50 PolarHBondContact O-N 3.26Å; K50-A52 VanDerWaalsContact C-N 3.34Å; K50-A52 PolarHBondContact O-N 2.8Å; K50-T53 PolarHBondContact O-N 2.67Å; K50-T53 PolarHBondContact O-OG1 3.39Å; K50-I54 HydrophobicContact CD-CD1 4.27Å; K50-I54 PolarHBondContact O-N 3.03Å; K50-W76 HydrophobicContact CB-CD2 3.58Å; K50-W76 HydrophobicContact CB-CE3 4.08Å; K50-W76 HydrophobicContact CB-CG 3.86Å; K50-W76 HydrophobicContact CB-CZ2 4.07Å; K50-W76 HydrophobicContact CG-CD2 4.23Å; K50-W76 HydrophobicContact CG-CE3 4.28Å
51	Q	97.2	Very high	95	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-63.1	-39.7	176.1	-161.4	78.6	6.5	0	0	112	S47 Y48 T53 G55 W76 L79 G80 M82 A87	S47-Q51 WeakPolarHBondContact O-CB 3.49Å; S47-Q51 PolarHBondContact O-N 2.72Å; Y48-Q51 PolarHBondContact O-N 3.4Å; Q51-T53 VanDerWaalsContact C-N 3.3Å; Q51-T53 PolarHBondContact O-N 3.26Å; Q51-G55 WeakPolarHBondContact O-CA 3.43Å; Q51-G55 PolarHBondContact O-N 3.3Å; Q51-G55 PolarHBondContact OE1-O 3.38Å; Q51-W76 VanDerWaalsContact OE1-CD1 3.28Å; Q51-L79 HydrophobicContact CB-CD1 3.79Å; Q51-L79 HydrophobicContact CG-CB 4.4Å; Q51-L79 HydrophobicContact CG-CD1 4.22Å; Q51-G80 PolarHBondContact NE2-O 3.34Å; Q51-M82 HydrophobicContact CG-CB 4.09Å; Q51-M82 HydrophobicContact CG-CG 4.13Å; Q51-M82 HydrophobicContact CG-SD 4.48Å; Q51-M82 PolarHBondContact NE2-O 3.41Å; Q51-A87 HydrophobicContact CB-CB 3.73Å; Q51-A87 HydrophobicContact CG-CB 3.88Å
52	A	96.3	Very high	95.3	Very high	5 Å²	5	55.7 Å²	55.7	4%	0.041	28%	0.284	C	S	.	.	H	α-helix	trans	-73.5	-12	177.6	0	0	0	0	0	115.2	F19 Y48 Y49 K50 A87 M88	F19-A52 HydrophobicContact CD2-CB 4.5Å; F19-A52 HydrophobicContact CE1-CB 4.05Å; F19-A52 HydrophobicContact CE2-CB 3.77Å; F19-A52 HydrophobicContact CZ-CB 3.5Å; F19-A52 VanDerWaalsContact CZ-CB 3.5Å; Y48-A52 WeakPolarHBondContact O-CB 3.37Å; Y48-A52 PolarHBondContact O-N 2.88Å; Y49-A52 PolarHBondContact O-N 2.9Å; K50-A52 VanDerWaalsContact C-N 3.34Å; K50-A52 PolarHBondContact O-N 2.8Å; A52-A87 HydrophobicContact CB-CB 3.94Å; A52-M88 HydrophobicContact CB-CE 4.33Å; A52-M88 HydrophobicContact CB-CG 3.63Å; A52-M88 VanDerWaalsContact O-CE 3.25Å; A52-M88 WeakPolarHBondContact O-CE 3.4Å
53	T	95.1	Very high	95.5	Very high	66 Å²	66	52.3 Å²	52.3	41%	0.405	27%	0.274	S	S	.	.	H	α-helix	trans	-120.5	-21.6	-176.2	53.4	0	0	0	0	114.6	F19 Y49 K50 Q51	F19-T53 HydrophobicContact CE1-CG2 4.23Å; F19-T53 HydrophobicContact CZ-CG2 4.24Å; Y49-T53 HydrophobicContact CD2-CG2 4.31Å; Y49-T53 HydrophobicContact CE2-CG2 3.96Å; Y49-T53 WeakPolarHBondContact O-CB 3.44Å; Y49-T53 WeakPolarHBondContact O-CG2 3.21Å; Y49-T53 PolarHBondContact O-N 3.43Å; Y49-T53 PolarHBondContact O-OG1 3.18Å; K50-T53 PolarHBondContact O-N 2.67Å; K50-T53 PolarHBondContact O-OG1 3.39Å; Q51-T53 VanDerWaalsContact C-N 3.3Å; Q51-T53 PolarHBondContact O-N 3.26Å
54	I	95.4	Very high	95.2	Very high	76 Å²	76	59.6 Å²	59.6	39%	0.39	31%	0.305	S	S	.	.	H	α-helix	trans	-130.6	-11.9	-177.3	-65.3	157.6	0	0	0	111.4	K50 W76	K50-I54 HydrophobicContact CD-CD1 4.27Å; K50-I54 PolarHBondContact O-N 3.03Å; I54-W76 HydrophobicContact CB-CH2 4.36Å; I54-W76 HydrophobicContact CB-CZ2 4.08Å; I54-W76 HydrophobicContact CD1-CH2 4.41Å; I54-W76 HydrophobicContact CG2-CH2 3.88Å; I54-W76 HydrophobicContact CG2-CZ2 3.85Å
55	G	93.6	Very high	95.1	Very high	5 Å²	5	64.7 Å²	64.7	5%	0.052	32%	0.322	C	S	.	.			trans	75.7	-154.2	-171.4	0	0	0	0	0	112.8	Q51 W76	Q51-G55 WeakPolarHBondContact O-CA 3.43Å; Q51-G55 PolarHBondContact O-N 3.3Å; Q51-G55 PolarHBondContact OE1-O 3.38Å; G55-W76 WeakPolarHBondContact O-CZ2 3.47Å; G55-W76 PolarHBondContact O-NE1 3.45Å; G55-W76 VanDerWaalsContact O-NE1 3.09Å
56	P	96.3	Very high	95.1	Very high	67 Å²	67	67.2 Å²	67.2	44%	0.435	34%	0.336	S	S	.	.	S	Bend	trans	-54.3	148.6	-177.1	-29.6	37.8	0	0	0	114.8	N58 G80	P56-N58 PolarHBondContact O-N 3Å; P56-G80 WeakPolarHBondContact CB-O 3.3Å
57	C	95.6	Very high	95.1	Very high	28 Å²	28	69.5 Å²	69.5	19%	0.189	36%	0.356	C	S	.	.			trans	-60.5	109.9	-178.6	-169.5	0	0	0	0	111.9	W76 N77	C57-W76 HydrophobicContact CB-CD2 3.89Å; C57-W76 HydrophobicContact CB-CE3 4.36Å; C57-W76 HydrophobicContact CB-CG 4Å; C57-N77 HydrophobicContact CB-CB 4.27Å
58	N	93.4	Very high	95	Very high	113 Å²	113	74 Å²	74	60%	0.604	38%	0.383	S	S	*	.			trans	-109	-0.5	-173.4	61.6	8.3	0	0	0	114.1	P56	P56-N58 PolarHBondContact O-N 3Å
59	I	93.8	Very high	94.9	Very high	74 Å²	74	72.6 Å²	72.6	38%	0.379	38%	0.382	S	S	.	.	S	Bend	trans	-94.8	147.2	-179.5	51.2	165.9	0	0	0	111.9	W73 W76	I59-W73 PolarHBondContact O-NE1 3.49Å; I59-W76 HydrophobicContact CD1-CE3 4.12Å; I59-W76 HydrophobicContact CD1-CZ3 3.74Å; I59-W76 HydrophobicContact CG1-CE3 4.28Å; I59-W76 HydrophobicContact CG1-CZ3 3.77Å
60	P	95.5	Very high	94.9	Very high	117 Å²	117	72.5 Å²	72.5	76%	0.76	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-66.1	148.4	172.8	29.5	-35.4	0	0	0	111.2
61	R	95.3	Very high	94.9	Very high	128 Å²	128	71.9 Å²	71.9	48%	0.483	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-63.3	132.4	179.6	-169.9	170	-168.1	-126	15	111.6	W73 D74	R61-W73 HydrophobicContact CB-CD2 3.81Å; R61-W73 HydrophobicContact CB-CE3 4.01Å; R61-W73 HydrophobicContact CB-CG 4.43Å; R61-W73 HydrophobicContact CB-CH2 4.09Å; R61-W73 HydrophobicContact CB-CZ2 3.87Å; R61-W73 HydrophobicContact CB-CZ3 4.15Å; R61-W73 VanDerWaalsContact CD-CZ3 3.48Å; R61-W73 HydrophobicContact CG-CD2 3.67Å; R61-W73 HydrophobicContact CG-CE3 3.51Å; R61-W73 HydrophobicContact CG-CG 4.25Å; R61-W73 HydrophobicContact CG-CH2 4.32Å; R61-W73 HydrophobicContact CG-CZ2 4.44Å; R61-W73 HydrophobicContact CG-CZ3 3.87Å; R61-D74 IonicContact CZ-OD1 3.82Å; R61-D74 IonicContact CZ-OD2 2.7Å; R61-D74 IonicContact NE-OD1 3.82Å; R61-D74 PolarHBondContact NE-OD1 3.49Å; R61-D74 VanDerWaalsContact NH2-CG 3.25Å; R61-D74 IonicContact NH2-OD1 2.64Å; R61-D74 PolarHBondContact NH2-OD1 3.25Å; R61-D74 IonicContact NH2-OD2 2.75Å; R61-D74 PolarHBondContact NH2-OD2 3.11Å
62	P	95.9	Very high	94.8	Very high	36 Å²	36	75.5 Å²	75.5	23%	0.234	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-57.7	155.1	175.8	-30	39	0	0	0	114.3	D66 W73	P62-D66 HydrophobicContact CB-CB 4.13Å; P62-W73 HydrophobicContact CG-CB 4.22Å
63	G	93.6	Very high	94.9	Very high	27 Å²	27	77 Å²	77	28%	0.278	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-68.1	159.2	176.7	0	0	0	0	0	112.6	W65 D66	G63-W65 PolarHBondContact O-N 3.3Å; G63-D66 PolarHBondContact O-N 2.87Å
64	F	90.4	Very high	95	Very high	178 Å²	178	76 Å²	76	78%	0.781	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-18.9	-171.6	71.4	-98.7	0	0	0	115
65	W	92.4	Very high	95.1	Very high	199 Å²	199	73.3 Å²	73.3	75%	0.754	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-15.2	176.1	49.8	76.2	0	0	0	113.9	G63	G63-W65 PolarHBondContact O-N 3.3Å
66	D	94.9	Very high	95.3	Very high	68 Å²	68	73.1 Å²	73.1	36%	0.364	39%	0.385	S	S	.	.			trans	-102.6	78.3	178	-178.9	10.2	0	0	0	110.1	P62 G63 V68 G69 K70	P62-D66 HydrophobicContact CB-CB 4.13Å; G63-D66 PolarHBondContact O-N 2.87Å; D66-V68 VanDerWaalsContact C-N 3.34Å; D66-V68 PolarHBondContact O-N 3.35Å; D66-G69 WeakPolarHBondContact OD1-CA 3.26Å; D66-G69 PolarHBondContact OD1-N 3.3Å; D66-G69 WeakPolarHBondContact OD2-CA 3.26Å; D66-K70 WeakPolarHBondContact O-CB 3.41Å; D66-K70 PolarHBondContact O-N 3.4Å
67	V	94.6	Very high	95.3	Very high	103 Å²	103	73.3 Å²	73.3	62%	0.624	38%	0.383	S	S	*	.	H	α-helix	trans	-63.6	-40	-176	-177.4	0	0	0	0	111.7	A71	V67-A71 WeakPolarHBondContact O-CB 3.14Å; V67-A71 PolarHBondContact O-N 2.93Å
68	V	94.3	Very high	95.3	Very high	100 Å²	100	76.4 Å²	76.4	61%	0.606	41%	0.405	S	S	*	.	H	α-helix	trans	-73.5	-45.2	-178.6	179.9	0	0	0	0	111	D66 K70 A71 K72	D66-V68 VanDerWaalsContact C-N 3.34Å; D66-V68 PolarHBondContact O-N 3.35Å; V68-K70 VanDerWaalsContact C-N 3.34Å; V68-A71 PolarHBondContact O-N 2.88Å; V68-K72 HydrophobicContact CG1-CD 4.01Å; V68-K72 WeakPolarHBondContact O-CB 3.22Å; V68-K72 VanDerWaalsContact O-CG 3.32Å; V68-K72 WeakPolarHBondContact O-CG 3.37Å; V68-K72 PolarHBondContact O-N 2.92Å
69	G	95.7	Very high	95.4	Very high	16 Å²	16	72.4 Å²	72.4	17%	0.165	38%	0.383	C	S	.	.	H	α-helix	trans	-63.1	-39.9	173.5	0	0	0	0	0	112	D66 K72 W73	D66-G69 WeakPolarHBondContact OD1-CA 3.26Å; D66-G69 PolarHBondContact OD1-N 3.3Å; D66-G69 WeakPolarHBondContact OD2-CA 3.26Å; G69-K72 PolarHBondContact O-N 3.46Å; G69-W73 VanDerWaalsContact O-CB 3.27Å; G69-W73 WeakPolarHBondContact O-CB 3.44Å; G69-W73 PolarHBondContact O-N 3.1Å
70	K	96.6	Very high	95.5	Very high	72 Å²	72	70.5 Å²	70.5	31%	0.313	38%	0.382	S	S	.	.	H	α-helix	trans	-58.5	-49.1	171.4	176.1	-161.6	165.5	-60.3	0	111.4	D66 V68 K72 W73 D74	D66-K70 WeakPolarHBondContact O-CB 3.41Å; D66-K70 PolarHBondContact O-N 3.4Å; V68-K70 VanDerWaalsContact C-N 3.34Å; K70-K72 PolarHBondContact O-N 3.3Å; K70-W73 PolarHBondContact O-N 3.18Å; K70-D74 IonicContact NZ-OD2 2.9Å; K70-D74 PolarHBondContact NZ-OD2 3.04Å; K70-D74 WeakPolarHBondContact O-CB 3.47Å; K70-D74 PolarHBondContact O-N 3.46Å
71	A	96.6	Very high	95.4	Very high	31 Å²	31	73.9 Å²	73.9	26%	0.256	39%	0.388	S	S	.	.	H	α-helix	trans	-61.7	-44.1	178.9	0	0	0	0	0	111.9	L43 V67 V68 W73 D74 A75	L43-A71 HydrophobicContact CD1-CB 4.26Å; L43-A71 HydrophobicContact CD2-CB 4.18Å; V67-A71 WeakPolarHBondContact O-CB 3.14Å; V67-A71 PolarHBondContact O-N 2.93Å; V68-A71 PolarHBondContact O-N 2.88Å; A71-W73 PolarHBondContact O-N 3.48Å; A71-D74 PolarHBondContact O-N 3.3Å; A71-A75 WeakPolarHBondContact O-CB 3.44Å; A71-A75 PolarHBondContact O-N 2.99Å
72	K	96.6	Very high	95.4	Very high	77 Å²	77	69.6 Å²	69.6	34%	0.335	37%	0.374	S	S	.	.	H	α-helix	trans	-63.6	-37.8	175.4	-73.1	173.9	69.1	166.4	0	112.6	L43 Y46 V68 G69 K70 W76	L43-K72 HydrophobicContact CD2-CB 4.38Å; L43-K72 HydrophobicContact CD2-CG 3.65Å; Y46-K72 HydrophobicContact CD1-CB 3.9Å; Y46-K72 HydrophobicContact CD1-CG 4.1Å; Y46-K72 HydrophobicContact CE1-CB 3.59Å; Y46-K72 HydrophobicContact CE1-CG 4.2Å; Y46-K72 VanDerWaalsContact CE1-O 3.31Å; Y46-K72 WeakPolarHBondContact CE1-O 3.39Å; Y46-K72 HydrophobicContact CG-CG 4.43Å; V68-K72 HydrophobicContact CG1-CD 4.01Å; V68-K72 WeakPolarHBondContact O-CB 3.22Å; V68-K72 VanDerWaalsContact O-CG 3.32Å; V68-K72 WeakPolarHBondContact O-CG 3.37Å; V68-K72 PolarHBondContact O-N 2.92Å; G69-K72 PolarHBondContact O-N 3.46Å; K70-K72 PolarHBondContact O-N 3.3Å; K72-W76 PolarHBondContact O-N 2.98Å; K72-W76 VanDerWaalsContact O-N 3.15Å
73	W	97.5	Very high	95.4	Very high	37 Å²	37	70.7 Å²	70.7	14%	0.14	38%	0.382	C	S	.	.	H	α-helix	trans	-69.3	-47.5	174.5	-174.3	96.4	0	0	0	111.5	I59 R61 P62 G69 K70 A71 A75 W76 N77	I59-W73 PolarHBondContact O-NE1 3.49Å; R61-W73 HydrophobicContact CB-CD2 3.81Å; R61-W73 HydrophobicContact CB-CE3 4.01Å; R61-W73 HydrophobicContact CB-CG 4.43Å; R61-W73 HydrophobicContact CB-CH2 4.09Å; R61-W73 HydrophobicContact CB-CZ2 3.87Å; R61-W73 HydrophobicContact CB-CZ3 4.15Å; R61-W73 VanDerWaalsContact CD-CZ3 3.48Å; R61-W73 HydrophobicContact CG-CD2 3.67Å; R61-W73 HydrophobicContact CG-CE3 3.51Å; R61-W73 HydrophobicContact CG-CG 4.25Å; R61-W73 HydrophobicContact CG-CH2 4.32Å; R61-W73 HydrophobicContact CG-CZ2 4.44Å; R61-W73 HydrophobicContact CG-CZ3 3.87Å; P62-W73 HydrophobicContact CG-CB 4.22Å; G69-W73 VanDerWaalsContact O-CB 3.27Å; G69-W73 WeakPolarHBondContact O-CB 3.44Å; G69-W73 PolarHBondContact O-N 3.1Å; K70-W73 PolarHBondContact O-N 3.18Å; A71-W73 PolarHBondContact O-N 3.48Å; W73-A75 VanDerWaalsContact C-N 3.28Å; W73-A75 PolarHBondContact O-N 2.95Å; W73-W76 PolarHBondContact O-N 3.43Å; W73-N77 HydrophobicContact CD2-CB 4.18Å; W73-N77 HydrophobicContact CE3-CB 3.9Å; W73-N77 HydrophobicContact CH2-CB 3.77Å; W73-N77 VanDerWaalsContact CH2-OD1 3.23Å; W73-N77 WeakPolarHBondContact CH2-OD1 3.14Å; W73-N77 HydrophobicContact CZ2-CB 4.04Å; W73-N77 WeakPolarHBondContact CZ2-OD1 3.47Å; W73-N77 HydrophobicContact CZ3-CB 3.69Å; W73-N77 WeakPolarHBondContact O-CB 3.36Å; W73-N77 PolarHBondContact O-N 3.31Å
74	D	96.8	Very high	95.4	Very high	45 Å²	45	73.9 Å²	73.9	24%	0.241	39%	0.389	C	S	.	.	H	α-helix	trans	-58.5	-42.1	179.2	-71.8	-20.9	0	0	0	110.3	R61 K70 A71 S78	R61-D74 IonicContact CZ-OD1 3.82Å; R61-D74 IonicContact CZ-OD2 2.7Å; R61-D74 IonicContact NE-OD1 3.82Å; R61-D74 PolarHBondContact NE-OD1 3.49Å; R61-D74 VanDerWaalsContact NH2-CG 3.25Å; R61-D74 IonicContact NH2-OD1 2.64Å; R61-D74 PolarHBondContact NH2-OD1 3.25Å; R61-D74 IonicContact NH2-OD2 2.75Å; R61-D74 PolarHBondContact NH2-OD2 3.11Å; K70-D74 IonicContact NZ-OD2 2.9Å; K70-D74 PolarHBondContact NZ-OD2 3.04Å; K70-D74 WeakPolarHBondContact O-CB 3.47Å; K70-D74 PolarHBondContact O-N 3.46Å; A71-D74 PolarHBondContact O-N 3.3Å; D74-S78 PolarHBondContact O-N 2.61Å; D74-S78 PolarHBondContact O-OG 2.87Å
75	A	97.3	Very high	95.6	Very high	18 Å²	18	69.5 Å²	69.5	15%	0.149	37%	0.371	C	S	.	.	H	α-helix	trans	-69.8	-35	177.6	0	0	0	0	0	114.5	L43 S47 A71 W73 S78	L43-A75 HydrophobicContact CB-CB 4.2Å; L43-A75 HydrophobicContact CD2-CB 4.4Å; S47-A75 VanDerWaalsContact CB-C 3.44Å; S47-A75 WeakPolarHBondContact CB-O 3.46Å; A71-A75 WeakPolarHBondContact O-CB 3.44Å; A71-A75 PolarHBondContact O-N 2.99Å; W73-A75 VanDerWaalsContact C-N 3.28Å; W73-A75 PolarHBondContact O-N 2.95Å; A75-S78 PolarHBondContact O-OG 2.86Å
76	W	97.6	Very high	95.7	Very high	1 Å²	1	64.9 Å²	64.9	0%	0.004	36%	0.358	C	S	.	.	H	α-helix	trans	-75.2	-43.6	174	-177.8	16.1	0	0	0	110.9	Y46 K50 Q51 I54 G55 C57 I59 K72 W73 S78 L79	Y46-W76 HydrophobicContact CE1-CB 4.43Å; K50-W76 HydrophobicContact CB-CD2 3.58Å; K50-W76 HydrophobicContact CB-CE3 4.08Å; K50-W76 HydrophobicContact CB-CG 3.86Å; K50-W76 HydrophobicContact CB-CZ2 4.07Å; K50-W76 HydrophobicContact CG-CD2 4.23Å; K50-W76 HydrophobicContact CG-CE3 4.28Å; Q51-W76 VanDerWaalsContact OE1-CD1 3.28Å; I54-W76 HydrophobicContact CB-CH2 4.36Å; I54-W76 HydrophobicContact CB-CZ2 4.08Å; I54-W76 HydrophobicContact CD1-CH2 4.41Å; I54-W76 HydrophobicContact CG2-CH2 3.88Å; I54-W76 HydrophobicContact CG2-CZ2 3.85Å; G55-W76 WeakPolarHBondContact O-CZ2 3.47Å; G55-W76 PolarHBondContact O-NE1 3.45Å; G55-W76 VanDerWaalsContact O-NE1 3.09Å; C57-W76 HydrophobicContact CB-CD2 3.89Å; C57-W76 HydrophobicContact CB-CE3 4.36Å; C57-W76 HydrophobicContact CB-CG 4Å; I59-W76 HydrophobicContact CD1-CE3 4.12Å; I59-W76 HydrophobicContact CD1-CZ3 3.74Å; I59-W76 HydrophobicContact CG1-CE3 4.28Å; I59-W76 HydrophobicContact CG1-CZ3 3.77Å; K72-W76 PolarHBondContact O-N 2.98Å; K72-W76 VanDerWaalsContact O-N 3.15Å; W73-W76 PolarHBondContact O-N 3.43Å; W76-S78 VanDerWaalsContact C-N 3.26Å; W76-S78 PolarHBondContact O-N 3.41Å; W76-L79 PolarHBondContact O-N 3.11Å; W76-L79 VanDerWaalsContact O-N 3.14Å
77	N	96.9	Very high	95.8	Very high	72 Å²	72	61.6 Å²	61.6	39%	0.385	34%	0.341	S	S	.	.	H	α-helix	trans	-63	-29.8	179	-173.1	89.7	0	0	0	112.7	C57 W73 L79 G80	C57-N77 HydrophobicContact CB-CB 4.27Å; W73-N77 HydrophobicContact CD2-CB 4.18Å; W73-N77 HydrophobicContact CE3-CB 3.9Å; W73-N77 HydrophobicContact CH2-CB 3.77Å; W73-N77 VanDerWaalsContact CH2-OD1 3.23Å; W73-N77 WeakPolarHBondContact CH2-OD1 3.14Å; W73-N77 HydrophobicContact CZ2-CB 4.04Å; W73-N77 WeakPolarHBondContact CZ2-OD1 3.47Å; W73-N77 HydrophobicContact CZ3-CB 3.69Å; W73-N77 WeakPolarHBondContact O-CB 3.36Å; W73-N77 PolarHBondContact O-N 3.31Å; N77-L79 PolarHBondContact O-N 2.99Å; N77-G80 PolarHBondContact O-N 3.2Å
78	S	96.7	Very high	95.7	Very high	93 Å²	93	57.6 Å²	57.6	65%	0.65	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-13.7	176.2	59.2	0	0	0	0	114.8	D74 A75 W76	D74-S78 PolarHBondContact O-N 2.61Å; D74-S78 PolarHBondContact O-OG 2.87Å; A75-S78 PolarHBondContact O-OG 2.86Å; W76-S78 VanDerWaalsContact C-N 3.26Å; W76-S78 PolarHBondContact O-N 3.41Å
79	L	95.1	Very high	95.6	Very high	28 Å²	28	54.4 Å²	54.4	15%	0.147	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-15.4	174.3	-59.3	-177.3	0	0	0	113.2	S47 Y48 Q51 W76 N77 E81 M82	S47-L79 VanDerWaalsContact C-CD1 3.45Å; S47-L79 WeakPolarHBondContact O-CD1 3.4Å; Y48-L79 HydrophobicContact CD1-CD1 3.75Å; Y48-L79 HydrophobicContact CD1-CD2 4.11Å; Y48-L79 HydrophobicContact CE1-CD1 4.21Å; Y48-L79 HydrophobicContact CE1-CD2 3.7Å; Q51-L79 HydrophobicContact CB-CD1 3.79Å; Q51-L79 HydrophobicContact CG-CB 4.4Å; Q51-L79 HydrophobicContact CG-CD1 4.22Å; W76-L79 PolarHBondContact O-N 3.11Å; W76-L79 VanDerWaalsContact O-N 3.14Å; N77-L79 PolarHBondContact O-N 2.99Å; L79-E81 PolarHBondContact O-N 2.95Å; L79-M82 HydrophobicContact CB-CB 4.3Å; L79-M82 HydrophobicContact CB-SD 4.38Å; L79-M82 HydrophobicContact CD1-SD 4.23Å; L79-M82 HydrophobicContact CD2-CE 4.16Å; L79-M82 HydrophobicContact CD2-SD 4.13Å; L79-M82 HydrophobicContact CG-SD 4.49Å; L79-M82 VanDerWaalsContact O-CB 3.24Å; L79-M82 WeakPolarHBondContact O-CB 3.2Å; L79-M82 PolarHBondContact O-N 3.26Å; L79-M82 VanDerWaalsContact O-N 3.16Å
80	G	94.6	Very high	95.6	Very high	34 Å²	34	54.8 Å²	54.8	35%	0.351	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	-125.6	176.3	0	0	0	0	0	113.7	Q51 P56 N77 M82	Q51-G80 PolarHBondContact NE2-O 3.34Å; P56-G80 WeakPolarHBondContact CB-O 3.3Å; N77-G80 PolarHBondContact O-N 3.2Å; G80-M82 VanDerWaalsContact C-N 3.34Å
81	E	94.9	Very high	95.4	Very high	189 Å²	189	51.7 Å²	51.7	88%	0.883	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	18.5	-177.6	-60.8	-174.9	167.8	0	0	113.7	L79 S83	L79-E81 PolarHBondContact O-N 2.95Å; E81-S83 PolarHBondContact O-N 3.34Å
82	M	94.3	Very high	95.1	Very high	38 Å²	38	50.5 Å²	50.5	19%	0.187	28%	0.277	C	S	.	.			trans	-48.9	134	173.6	170.3	175.6	-73.6	0	0	111.8	Y48 Q51 L79 G80 E86 A87	Y48-M82 HydrophobicContact CD1-SD 4.14Å; Y48-M82 HydrophobicContact CE1-CE 4.38Å; Y48-M82 HydrophobicContact CE1-SD 4.16Å; Q51-M82 HydrophobicContact CG-CB 4.09Å; Q51-M82 HydrophobicContact CG-CG 4.13Å; Q51-M82 HydrophobicContact CG-SD 4.48Å; Q51-M82 PolarHBondContact NE2-O 3.41Å; L79-M82 HydrophobicContact CB-CB 4.3Å; L79-M82 HydrophobicContact CB-SD 4.38Å; L79-M82 HydrophobicContact CD1-SD 4.23Å; L79-M82 HydrophobicContact CD2-CE 4.16Å; L79-M82 HydrophobicContact CD2-SD 4.13Å; L79-M82 HydrophobicContact CG-SD 4.49Å; L79-M82 VanDerWaalsContact O-CB 3.24Å; L79-M82 WeakPolarHBondContact O-CB 3.2Å; L79-M82 PolarHBondContact O-N 3.26Å; L79-M82 VanDerWaalsContact O-N 3.16Å; G80-M82 VanDerWaalsContact C-N 3.34Å; M82-E86 HydrophobicContact CE-CG 4.16Å; M82-E86 HydrophobicContact CG-CB 4.1Å; M82-E86 HydrophobicContact CG-CG 3.95Å; M82-E86 HydrophobicContact SD-CG 4.35Å; M82-A87 HydrophobicContact CG-CB 4.24Å; M82-A87 HydrophobicContact SD-CB 3.99Å
83	S	96	Very high	94.8	Very high	58 Å²	58	50.9 Å²	50.9	41%	0.406	28%	0.283	S	S	.	.			trans	-72.3	155	-177.8	68.9	0	0	0	0	112.6	E81 E85 E86 A87	E81-S83 PolarHBondContact O-N 3.34Å; S83-E85 PolarHBondContact O-N 3.24Å; S83-E86 PolarHBondContact N-OE2 3.25Å; S83-E86 PolarHBondContact O-N 3.21Å; S83-E86 WeakPolarHBondContact OG-CB 3.42Å; S83-E86 PolarHBondContact OG-N 3.44Å; S83-A87 WeakPolarHBondContact O-CB 3.48Å; S83-A87 PolarHBondContact O-N 3.04Å
84	E	94.9	Very high	94.4	Very high	94 Å²	94	50.1 Å²	50.1	44%	0.439	28%	0.281	S	S	.	.	H	α-helix	trans	-55.1	-42.3	176.3	-64.9	170.3	177.2	0	0	111.9	A87 M88	E84-A87 PolarHBondContact O-N 2.95Å; E84-M88 VanDerWaalsContact O-CG 3.26Å; E84-M88 WeakPolarHBondContact O-CG 3.44Å; E84-M88 PolarHBondContact O-N 3.48Å
85	E	93.2	Very high	93.9	Very high	86 Å²	86	48.4 Å²	48.4	40%	0.402	27%	0.271	S	S	.	.	H	α-helix	trans	-67.8	-40.9	-176.9	-61.1	175.9	-140.5	0	0	111.9	K12 S83 M88 A89	K12-E85 VanDerWaalsContact CD-CD 3.47Å; K12-E85 HydrophobicContact CD-CG 3.98Å; K12-E85 VanDerWaalsContact CD-OE1 3.32Å; K12-E85 WeakPolarHBondContact CD-OE1 3.46Å; K12-E85 VanDerWaalsContact CE-OE1 3.24Å; K12-E85 WeakPolarHBondContact CE-OE1 3.49Å; K12-E85 HydrophobicContact CG-CG 4.06Å; K12-E85 IonicContact NZ-OE1 3.89Å; K12-E85 PolarHBondContact NZ-OE1 3.09Å; S83-E85 PolarHBondContact O-N 3.24Å; E85-M88 PolarHBondContact O-N 3.37Å; E85-A89 WeakPolarHBondContact O-CB 3.46Å; E85-A89 PolarHBondContact O-N 3.41Å
86	E	94.5	Very high	93.1	Very high	102 Å²	102	48.9 Å²	48.9	48%	0.477	27%	0.27	S	S	.	.	H	α-helix	trans	-67	-41.1	174.2	-177.5	-178.4	-171	0	0	111.4	M82 S83 A89 A90	M82-E86 HydrophobicContact CE-CG 4.16Å; M82-E86 HydrophobicContact CG-CB 4.1Å; M82-E86 HydrophobicContact CG-CG 3.95Å; M82-E86 HydrophobicContact SD-CG 4.35Å; S83-E86 PolarHBondContact N-OE2 3.25Å; S83-E86 PolarHBondContact O-N 3.21Å; S83-E86 WeakPolarHBondContact OG-CB 3.42Å; S83-E86 PolarHBondContact OG-N 3.44Å; E86-A89 PolarHBondContact O-N 3.41Å; E86-A90 VanDerWaalsContact O-CB 3.31Å; E86-A90 WeakPolarHBondContact O-CB 3.08Å; E86-A90 PolarHBondContact O-N 2.92Å
87	A	96.4	Very high	92.5	Very high	0 Å²	0	54 Å²	54	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-64.9	-40.5	174.6	0	0	0	0	0	112.4	Q51 A52 M82 S83 E84 A90 Y91	Q51-A87 HydrophobicContact CB-CB 3.73Å; Q51-A87 HydrophobicContact CG-CB 3.88Å; A52-A87 HydrophobicContact CB-CB 3.94Å; M82-A87 HydrophobicContact CG-CB 4.24Å; M82-A87 HydrophobicContact SD-CB 3.99Å; S83-A87 WeakPolarHBondContact O-CB 3.48Å; S83-A87 PolarHBondContact O-N 3.04Å; E84-A87 PolarHBondContact O-N 2.95Å; A87-A90 PolarHBondContact O-N 3.47Å; A87-Y91 WeakPolarHBondContact O-CB 3.33Å; A87-Y91 PolarHBondContact O-N 3.18Å
88	M	93.8	Very high	91.7	Very high	18 Å²	18	51.2 Å²	51.2	9%	0.089	28%	0.282	C	S	.	.	H	α-helix	trans	-62.6	-42	172.8	-72.2	-178.2	-164.3	0	0	111.8	T15 Q16 F19 A52 E84 E85 V92	T15-M88 HydrophobicContact CG2-CB 3.96Å; Q16-M88 HydrophobicContact CB-SD 4Å; Q16-M88 HydrophobicContact CG-CE 4.43Å; Q16-M88 HydrophobicContact CG-SD 4.1Å; F19-M88 HydrophobicContact CB-CB 3.86Å; F19-M88 HydrophobicContact CB-CG 3.88Å; F19-M88 HydrophobicContact CB-SD 4.35Å; F19-M88 HydrophobicContact CD1-CE 4.35Å; F19-M88 HydrophobicContact CD1-CG 3.8Å; F19-M88 HydrophobicContact CD1-SD 4.15Å; F19-M88 HydrophobicContact CD2-CB 4.26Å; F19-M88 HydrophobicContact CD2-CG 4.04Å; F19-M88 HydrophobicContact CE1-CG 4.28Å; F19-M88 HydrophobicContact CG-CB 4.04Å; F19-M88 HydrophobicContact CG-CG 3.64Å; F19-M88 HydrophobicContact CG-SD 4.38Å; A52-M88 HydrophobicContact CB-CE 4.33Å; A52-M88 HydrophobicContact CB-CG 3.63Å; A52-M88 VanDerWaalsContact O-CE 3.25Å; A52-M88 WeakPolarHBondContact O-CE 3.4Å; E84-M88 VanDerWaalsContact O-CG 3.26Å; E84-M88 WeakPolarHBondContact O-CG 3.44Å; E84-M88 PolarHBondContact O-N 3.48Å; E85-M88 PolarHBondContact O-N 3.37Å; M88-V92 WeakPolarHBondContact O-CG2 3.23Å; M88-V92 PolarHBondContact O-N 2.92Å
89	A	91.9	Very high	90.7	Very high	34 Å²	34	47.2 Å²	47.2	28%	0.281	25%	0.253	S	S	.	.	H	α-helix	trans	-65.3	-46.5	175.7	0	0	0	0	0	111.9	T15 E85 E86 Y91 V92 D93	T15-A89 HydrophobicContact CG2-CB 4.18Å; E85-A89 WeakPolarHBondContact O-CB 3.46Å; E85-A89 PolarHBondContact O-N 3.41Å; E86-A89 PolarHBondContact O-N 3.41Å; A89-Y91 VanDerWaalsContact C-N 3.35Å; A89-Y91 PolarHBondContact O-N 3.43Å; A89-V92 CarbonylContact O-C 3.58Å; A89-V92 WeakPolarHBondContact O-CB 3.44Å; A89-V92 PolarHBondContact O-N 3.01Å; A89-V92 VanDerWaalsContact O-N 3.11Å; A89-D93 PolarHBondContact O-N 3.43Å
90	A	94.6	Very high	89.8	Confident	23 Å²	23	52.7 Å²	52.7	19%	0.19	28%	0.278	C	S	.	.	H	α-helix	trans	-63	-37.5	178.5	0	0	0	0	0	112.6	Y48 E86 A87 D93 Q94	Y48-A90 HydrophobicContact CD1-CB 3.74Å; Y48-A90 HydrophobicContact CD2-CB 4.38Å; Y48-A90 HydrophobicContact CE1-CB 3.54Å; Y48-A90 HydrophobicContact CE2-CB 4.2Å; Y48-A90 HydrophobicContact CG-CB 4.18Å; E86-A90 VanDerWaalsContact O-CB 3.31Å; E86-A90 WeakPolarHBondContact O-CB 3.08Å; E86-A90 PolarHBondContact O-N 2.92Å; A87-A90 PolarHBondContact O-N 3.47Å; A90-D93 PolarHBondContact O-N 3.38Å; A90-Q94 WeakPolarHBondContact O-CB 3.18Å; A90-Q94 PolarHBondContact O-N 3.16Å
91	Y	93.8	Very high	88.5	Confident	7 Å²	7	54.1 Å²	54.1	3%	0.027	29%	0.293	C	S	.	.	H	α-helix	trans	-60.4	-44.6	171.3	-168.4	-80.3	0	0	0	111.7	F19 A22 V23 I26 F45 A87 A89 M95	F19-Y91 AromaticContact CD2-CD1 3.8Å; F19-Y91 HydrophobicContact CD2-CD1 3.8Å; F19-Y91 HydrophobicContact CD2-CD2 4.32Å; F19-Y91 HydrophobicContact CD2-CE1 4.43Å; F19-Y91 AromaticContact CD2-CG 3.74Å; F19-Y91 HydrophobicContact CD2-CG 3.74Å; F19-Y91 HydrophobicContact CE2-CD1 4.1Å; F19-Y91 AromaticContact CE2-CD2 3.84Å; F19-Y91 HydrophobicContact CE2-CD2 3.84Å; F19-Y91 HydrophobicContact CE2-CE2 4.29Å; F19-Y91 AromaticContact CE2-CG 3.74Å; F19-Y91 HydrophobicContact CE2-CG 3.74Å; A22-Y91 HydrophobicContact CB-CD1 3.98Å; A22-Y91 HydrophobicContact CB-CE1 3.79Å; V23-Y91 HydrophobicContact CG2-CD1 4.42Å; V23-Y91 HydrophobicContact CG2-CE1 3.69Å; V23-Y91 HydrophobicContact CG2-CE2 4.24Å; I26-Y91 HydrophobicContact CD1-CE1 3.87Å; I26-Y91 WeakPolarHBondContact CD1-OH 3.46Å; F45-Y91 HydrophobicContact CB-CD2 4.49Å; F45-Y91 HydrophobicContact CB-CE2 3.86Å; F45-Y91 HydrophobicContact CD1-CD1 4.32Å; F45-Y91 AromaticContact CD1-CD2 3.8Å; F45-Y91 HydrophobicContact CD1-CD2 3.8Å; F45-Y91 HydrophobicContact CD1-CE1 4.19Å; F45-Y91 AromaticContact CD1-CE2 3.63Å; F45-Y91 HydrophobicContact CD1-CE2 3.63Å; F45-Y91 HydrophobicContact CD1-CG 4.14Å; F45-Y91 AromaticContact CD1-CZ 3.85Å; F45-Y91 HydrophobicContact CG-CE2 4.17Å; F45-Y91 WeakPolarHBondContact O-CE2 3.22Å; A87-Y91 WeakPolarHBondContact O-CB 3.33Å; A87-Y91 PolarHBondContact O-N 3.18Å; A89-Y91 VanDerWaalsContact C-N 3.35Å; A89-Y91 PolarHBondContact O-N 3.43Å; Y91-M95 PolarHBondContact O-N 2.85Å
92	V	90.4	Very high	87.1	Confident	6 Å²	6	46.6 Å²	46.6	4%	0.036	26%	0.258	C	S	.	.	H	α-helix	trans	-68.2	-36	178.9	161.9	0	0	0	0	112.3	R18 F19 A22 M88 A89 K96 F118	R18-V92 HydrophobicContact CB-CG1 4.47Å; R18-V92 HydrophobicContact CB-CG2 3.88Å; F19-V92 HydrophobicContact CB-CG2 4.42Å; A22-V92 HydrophobicContact CB-CG2 4.47Å; M88-V92 WeakPolarHBondContact O-CG2 3.23Å; M88-V92 PolarHBondContact O-N 2.92Å; A89-V92 CarbonylContact O-C 3.58Å; A89-V92 WeakPolarHBondContact O-CB 3.44Å; A89-V92 PolarHBondContact O-N 3.01Å; A89-V92 VanDerWaalsContact O-N 3.11Å; V92-K96 WeakPolarHBondContact O-CG 3.24Å; V92-K96 PolarHBondContact O-N 2.82Å; V92-F118 HydrophobicContact CB-CZ 4.48Å; V92-F118 HydrophobicContact CG1-CE2 4.26Å; V92-F118 HydrophobicContact CG1-CZ 3.93Å; V92-F118 HydrophobicContact CG2-CE2 4.16Å; V92-F118 HydrophobicContact CG2-CZ 4.28Å
93	D	89.8	Confident	85.5	Confident	86 Å²	86	49.5 Å²	49.5	46%	0.46	28%	0.28	S	S	.	.	H	α-helix	trans	-78.4	-35.6	177.7	-70.3	-17.9	0	0	0	112	A89 A90 M95 K96 L97	A89-D93 PolarHBondContact O-N 3.43Å; A90-D93 PolarHBondContact O-N 3.38Å; D93-M95 VanDerWaalsContact C-N 3.27Å; D93-M95 PolarHBondContact O-N 2.99Å; D93-K96 PolarHBondContact O-N 3.43Å; D93-K96 IonicContact OD1-NZ 2.68Å; D93-K96 PolarHBondContact OD1-NZ 3.4Å; D93-L97 PolarHBondContact O-N 2.85Å
94	Q	89.7	Confident	83.7	Confident	20 Å²	20	53 Å²	53	9%	0.093	29%	0.291	C	S	.	.	H	α-helix	trans	-66.2	-27.7	170.7	-176.9	56.2	87.3	0	0	112.3	K44 F45 Y48 A90 I98	K44-Q94 HydrophobicContact CB-CG 4.48Å; K44-Q94 HydrophobicContact CD-CG 4.5Å; K44-Q94 VanDerWaalsContact CD-OE1 3.23Å; F45-Q94 HydrophobicContact CD1-CG 4.43Å; F45-Q94 HydrophobicContact CE1-CB 4.05Å; F45-Q94 HydrophobicContact CE1-CG 3.87Å; F45-Q94 HydrophobicContact CZ-CB 4.47Å; F45-Q94 HydrophobicContact CZ-CG 3.97Å; Y48-Q94 HydrophobicContact CE2-CB 4.28Å; Y48-Q94 HydrophobicContact CE2-CG 4.47Å; A90-Q94 WeakPolarHBondContact O-CB 3.18Å; A90-Q94 PolarHBondContact O-N 3.16Å; Q94-I98 WeakPolarHBondContact O-CG1 3.35Å
95	M	84.7	Confident	82.2	Confident	9 Å²	9	51 Å²	51	4%	0.044	29%	0.286	C	S	.	.	H	α-helix	trans	-66.8	-47.5	168.4	171.3	56	73.7	0	0	111.8	V25 I26 F45 Y91 D93 L97 I98 L99 F118	V25-M95 HydrophobicContact CG1-CE 4.45Å; I26-M95 HydrophobicContact CD1-CE 3.47Å; I26-M95 VanDerWaalsContact CD1-CE 3.47Å; I26-M95 HydrophobicContact CG1-CE 3.45Å; I26-M95 VanDerWaalsContact CG1-CE 3.45Å; F45-M95 HydrophobicContact CE1-CB 4.33Å; F45-M95 HydrophobicContact CZ-CB 4.43Å; Y91-M95 PolarHBondContact O-N 2.85Å; D93-M95 VanDerWaalsContact C-N 3.27Å; D93-M95 PolarHBondContact O-N 2.99Å; M95-L97 VanDerWaalsContact C-N 3.35Å; M95-L97 PolarHBondContact O-N 3.24Å; M95-I98 PolarHBondContact O-N 3Å; M95-L99 HydrophobicContact CG-CD1 3.93Å; M95-L99 PolarHBondContact O-N 3.13Å; M95-L99 HydrophobicContact SD-CD1 3.66Å; M95-L99 HydrophobicContact SD-CG 4.07Å; M95-F118 HydrophobicContact CG-CE1 4.01Å; M95-F118 HydrophobicContact CG-CZ 4.3Å
96	K	82.2	Confident	80.9	Confident	29 Å²	29	53.8 Å²	53.8	13%	0.126	30%	0.303	C	S	.	.	H	α-helix	trans	-59.4	-44.3	178.2	-66.9	165.6	-168.5	155	0	112.4	V92 D93 I98 L99 E100	V92-K96 WeakPolarHBondContact O-CG 3.24Å; V92-K96 PolarHBondContact O-N 2.82Å; D93-K96 PolarHBondContact O-N 3.43Å; D93-K96 IonicContact OD1-NZ 2.68Å; D93-K96 PolarHBondContact OD1-NZ 3.4Å; K96-I98 PolarHBondContact O-N 3.27Å; K96-I98 VanDerWaalsContact O-N 3.13Å; K96-L99 CarbonylContact O-C 3.56Å; K96-L99 PolarHBondContact O-N 3.21Å; K96-E100 WeakPolarHBondContact O-CB 3.31Å; K96-E100 WeakPolarHBondContact O-CG 3.1Å; K96-E100 PolarHBondContact O-N 2.82Å
97	L	84	Confident	79.2	Confident	107 Å²	107	53.7 Å²	53.7	56%	0.56	30%	0.303	S	S	*	.	H	α-helix	trans	-57.4	-29.9	-179.5	-178.1	60.5	0	0	0	112.8	D93 M95 G101	D93-L97 PolarHBondContact O-N 2.85Å; M95-L97 VanDerWaalsContact C-N 3.35Å; M95-L97 PolarHBondContact O-N 3.24Å; L97-G101 PolarHBondContact O-N 3.18Å; L97-G101 VanDerWaalsContact O-N 3.12Å
98	I	80.4	Confident	77.5	Confident	15 Å²	15	54.1 Å²	54.1	8%	0.077	31%	0.305	C	S	.	.	H	α-helix	trans	-74.6	-46.3	174.7	-64.4	175.5	0	0	0	110.6	F35 M41 F45 Q94 M95 K96 E100 G101 M102	F35-I98 HydrophobicContact CE1-CG2 4.17Å; F35-I98 HydrophobicContact CE2-CG2 3.78Å; F35-I98 HydrophobicContact CZ-CD1 4.45Å; F35-I98 HydrophobicContact CZ-CG2 3.42Å; F35-I98 VanDerWaalsContact CZ-CG2 3.42Å; M41-I98 HydrophobicContact CE-CD1 3.42Å; M41-I98 VanDerWaalsContact CE-CD1 3.42Å; M41-I98 HydrophobicContact CE-CG1 3.67Å; M41-I98 HydrophobicContact CE-CG2 4.35Å; F45-I98 HydrophobicContact CE2-CD1 3.38Å; F45-I98 HydrophobicContact CZ-CD1 3.5Å; Q94-I98 WeakPolarHBondContact O-CG1 3.35Å; M95-I98 PolarHBondContact O-N 3Å; K96-I98 PolarHBondContact O-N 3.27Å; K96-I98 VanDerWaalsContact O-N 3.13Å; I98-E100 VanDerWaalsContact C-N 3.31Å; I98-E100 PolarHBondContact O-N 3.17Å; I98-G101 PolarHBondContact O-N 3.45Å; I98-G101 VanDerWaalsContact O-N 3.17Å; I98-M102 HydrophobicContact CG2-CE 4.08Å; I98-M102 HydrophobicContact CG2-CG 4.47Å; I98-M102 HydrophobicContact CG2-SD 4.28Å; I98-M102 WeakPolarHBondContact O-CG 3.19Å; I98-M102 PolarHBondContact O-N 2.99Å
99	L	75.3	Confident	76.2	Confident	8 Å²	8	57.4 Å²	57.4	4%	0.042	32%	0.321	C	S	.	.	H	α-helix	trans	-69.6	-28.1	-178.9	-64.1	164.9	0	0	0	113	M95 K96 M102 L111 L112 L115 Y119	M95-L99 HydrophobicContact CG-CD1 3.93Å; M95-L99 PolarHBondContact O-N 3.13Å; M95-L99 HydrophobicContact SD-CD1 3.66Å; M95-L99 HydrophobicContact SD-CG 4.07Å; K96-L99 CarbonylContact O-C 3.56Å; K96-L99 PolarHBondContact O-N 3.21Å; L99-M102 HydrophobicContact CD2-CE 3.74Å; L99-L111 HydrophobicContact CD2-CD2 4.23Å; L99-L112 HydrophobicContact CD2-CD2 4.35Å; L99-L115 HydrophobicContact CD1-CD1 3.54Å; L99-L115 HydrophobicContact CD1-CD2 4.28Å; L99-L115 HydrophobicContact CD2-CD1 3.53Å; L99-L115 HydrophobicContact CG-CD1 4.2Å; L99-Y119 HydrophobicContact CD1-CE2 3.52Å; L99-Y119 WeakPolarHBondContact CD1-OH 3.29Å
100	E	75.9	Confident	75.1	Confident	144 Å²	144	62 Å²	62	67%	0.673	34%	0.336	S	S	*	.	H	α-helix	trans	-80.4	-25.8	171.4	-69.3	172.5	-166.1	0	0	112.4	K96 I98	K96-E100 WeakPolarHBondContact O-CB 3.31Å; K96-E100 WeakPolarHBondContact O-CG 3.1Å; K96-E100 PolarHBondContact O-N 2.82Å; I98-E100 VanDerWaalsContact C-N 3.31Å; I98-E100 PolarHBondContact O-N 3.17Å
101	G	67.6	Low	73.7	Confident	64 Å²	64	61.9 Å²	61.9	66%	0.66	33%	0.332	S	S	*	.	H	α-helix	trans	-90.1	-11.8	179.4	0	0	0	0	0	115.4	L97 I98	L97-G101 PolarHBondContact O-N 3.18Å; L97-G101 VanDerWaalsContact O-N 3.12Å; I98-G101 PolarHBondContact O-N 3.45Å; I98-G101 VanDerWaalsContact O-N 3.17Å
102	M	64.9	Low	72.5	Confident	30 Å²	30	63.6 Å²	63.6	15%	0.148	34%	0.342	C	S	.	.	S	Bend	trans	-87.6	141.1	175.8	-75.9	-172.4	-57.4	0	0	111.8	F35 I98 L99 V108 L111	F35-M102 HydrophobicContact CB-SD 4.29Å; F35-M102 HydrophobicContact CD2-CG 4.4Å; F35-M102 HydrophobicContact CD2-SD 3.31Å; F35-M102 WeakPolarHBondContact CD2-SD 3.45Å; F35-M102 HydrophobicContact CE2-CG 4.48Å; F35-M102 HydrophobicContact CE2-SD 3.73Å; F35-M102 HydrophobicContact CG-SD 3.82Å; I98-M102 HydrophobicContact CG2-CE 4.08Å; I98-M102 HydrophobicContact CG2-CG 4.47Å; I98-M102 HydrophobicContact CG2-SD 4.28Å; I98-M102 WeakPolarHBondContact O-CG 3.19Å; I98-M102 PolarHBondContact O-N 2.99Å; L99-M102 HydrophobicContact CD2-CE 3.74Å; M102-V108 HydrophobicContact CB-CG2 4.23Å; M102-V108 HydrophobicContact CE-CG1 4.11Å; M102-V108 HydrophobicContact CE-CG2 3.96Å; M102-V108 HydrophobicContact SD-CG2 3.95Å; M102-L111 HydrophobicContact CE-CD2 4.27Å
103	P	60.8	Low	71.4	Confident	99 Å²	99	71.9 Å²	71.9	64%	0.643	37%	0.372	S	S	*	.			trans	-64.2	142.6	163.1	30	-33.7	0	0	0	109.6	T105	P103-T105 VanDerWaalsContact C-N 3.35Å; P103-T105 PolarHBondContact O-N 3.12Å
104	M	59.6	Low	70.2	Confident	132 Å²	132	72.3 Å²	72.3	65%	0.65	37%	0.374	S	S	*	.			trans	-71.2	87.2	175.3	-67.3	-77.2	178.7	0	0	110.1	V108 L112	M104-V108 HydrophobicContact SD-CG1 4.06Å; M104-L112 HydrophobicContact CE-CD1 3.63Å; M104-L112 HydrophobicContact SD-CD1 3.42Å; M104-L112 WeakPolarHBondContact SD-CD1 3.29Å
105	T	63.3	Low	68.8	Low	53 Å²	53	71.4 Å²	71.4	33%	0.325	37%	0.37	S	S	.	.			trans	-85	164.8	164	73.6	0	0	0	0	110.1	P103 E107 V108 E109	P103-T105 VanDerWaalsContact C-N 3.35Å; P103-T105 PolarHBondContact O-N 3.12Å; T105-E107 PolarHBondContact O-N 3.41Å; T105-E107 VanDerWaalsContact O-N 3.11Å; T105-E107 PolarHBondContact OG1-N 3.05Å; T105-E107 PolarHBondContact OG1-OE2 2.9Å; T105-V108 CarbonylContact O-C 3.2Å; T105-V108 WeakPolarHBondContact O-CA 3.2Å; T105-V108 PolarHBondContact O-N 2.62Å; T105-V108 PolarHBondContact OG1-N 2.78Å; T105-E109 PolarHBondContact O-N 2.91Å
106	D	64.7	Low	67.8	Low	144 Å²	144	73.2 Å²	73.2	77%	0.77	39%	0.391	S	S	*	.	H	α-helix	trans	-56.6	-28.2	175.7	-60.3	-45.5	0	0	0	112.4	E109 E110	D106-E109 WeakPolarHBondContact O-CB 3.31Å; D106-E109 PolarHBondContact O-N 2.8Å; D106-E110 PolarHBondContact O-N 3.46Å
107	E	58.9	Low	66.7	Low	99 Å²	99	75.7 Å²	75.7	46%	0.463	41%	0.41	S	S	.	.	H	α-helix	trans	-78.9	-32.3	178.3	-53.6	149.5	135.2	0	0	111.6	P34 T105 E110 L111	P34-E107 VanDerWaalsContact CB-CD 3.43Å; P34-E107 HydrophobicContact CB-CG 4.42Å; P34-E107 WeakPolarHBondContact CB-OE1 3.46Å; P34-E107 HydrophobicContact CG-CB 3.8Å; P34-E107 VanDerWaalsContact CG-CD 3.42Å; P34-E107 HydrophobicContact CG-CG 3.87Å; P34-E107 WeakPolarHBondContact CG-OE1 3.45Å; T105-E107 PolarHBondContact O-N 3.41Å; T105-E107 VanDerWaalsContact O-N 3.11Å; T105-E107 PolarHBondContact OG1-N 3.05Å; T105-E107 PolarHBondContact OG1-OE2 2.9Å; E107-E110 PolarHBondContact O-N 2.8Å; E107-L111 WeakPolarHBondContact O-CB 3.42Å; E107-L111 PolarHBondContact O-N 2.7Å
108	V	61.7	Low	65.4	Low	9 Å²	9	71 Å²	71	6%	0.055	39%	0.385	C	S	.	.	H	α-helix	trans	-72.3	-33.4	169	176.3	0	0	0	0	110.3	M102 M104 T105 L112	M102-V108 HydrophobicContact CB-CG2 4.23Å; M102-V108 HydrophobicContact CE-CG1 4.11Å; M102-V108 HydrophobicContact CE-CG2 3.96Å; M102-V108 HydrophobicContact SD-CG2 3.95Å; M104-V108 HydrophobicContact SD-CG1 4.06Å; T105-V108 CarbonylContact O-C 3.2Å; T105-V108 WeakPolarHBondContact O-CA 3.2Å; T105-V108 PolarHBondContact O-N 2.62Å; T105-V108 PolarHBondContact OG1-N 2.78Å; V108-L112 HydrophobicContact CG1-CD1 4.03Å; V108-L112 HydrophobicContact CG1-CG 4.44Å; V108-L112 VanDerWaalsContact O-CB 3.22Å; V108-L112 WeakPolarHBondContact O-CB 3.42Å; V108-L112 WeakPolarHBondContact O-CG 3Å; V108-L112 PolarHBondContact O-N 3.06Å
109	E	66.2	Low	64.3	Low	88 Å²	88	73.5 Å²	73.5	41%	0.411	39%	0.394	S	S	.	.	H	α-helix	trans	-64	-41.6	166.8	-84.8	-150.2	-166.1	0	0	112.5	T105 D106 L112 R113	T105-E109 PolarHBondContact O-N 2.91Å; D106-E109 WeakPolarHBondContact O-CB 3.31Å; D106-E109 PolarHBondContact O-N 2.8Å; E109-L112 PolarHBondContact O-N 3.48Å; E109-R113 WeakPolarHBondContact O-CG 3.37Å; E109-R113 PolarHBondContact O-N 3.34Å; E109-R113 IonicContact OE2-CZ 3.63Å; E109-R113 IonicContact OE2-NH2 2.77Å; E109-R113 PolarHBondContact OE2-NH2 3.42Å
110	E	67.8	Low	63.4	Low	129 Å²	129	80.5 Å²	80.5	60%	0.603	43%	0.426	S	S	*	.	H	α-helix	trans	-63.5	-45.9	175	-177	166.7	-153.3	0	0	111.2	D106 E107 L112 R113 I114	D106-E110 PolarHBondContact O-N 3.46Å; E107-E110 PolarHBondContact O-N 2.8Å; E110-L112 VanDerWaalsContact C-N 3.3Å; E110-L112 PolarHBondContact O-N 3.23Å; E110-R113 PolarHBondContact O-N 2.88Å; E110-I114 HydrophobicContact CG-CD1 4.17Å; E110-I114 WeakPolarHBondContact O-CG1 3.4Å; E110-I114 PolarHBondContact O-N 2.7Å
111	L	65.3	Low	62.3	Low	22 Å²	22	77.3 Å²	77.3	12%	0.115	41%	0.413	C	S	.	.	H	α-helix	trans	-59.7	-39.8	172.4	-178.7	56.7	0	0	0	111.7	V25 L29 L99 M102 E107 I114 L115	V25-L111 HydrophobicContact CG1-CD1 3.79Å; L29-L111 HydrophobicContact CD2-CD1 3.68Å; L29-L111 HydrophobicContact CD2-CD2 4.07Å; L99-L111 HydrophobicContact CD2-CD2 4.23Å; M102-L111 HydrophobicContact CE-CD2 4.27Å; E107-L111 WeakPolarHBondContact O-CB 3.42Å; E107-L111 PolarHBondContact O-N 2.7Å; L111-I114 CarbonylContact O-C 3.59Å; L111-I114 PolarHBondContact O-N 2.82Å; L111-L115 HydrophobicContact CD1-CD1 4.31Å; L111-L115 HydrophobicContact CG-CD1 3.93Å; L111-L115 WeakPolarHBondContact O-CB 3.36Å; L111-L115 WeakPolarHBondContact O-CD1 3.44Å; L111-L115 VanDerWaalsContact O-CG 3.31Å; L111-L115 WeakPolarHBondContact O-CG 3.32Å; L111-L115 PolarHBondContact O-N 3.15Å
112	L	69.3	Low	61.6	Low	43 Å²	43	74.9 Å²	74.9	23%	0.225	39%	0.385	C	S	.	.	H	α-helix	trans	-69.4	-30.9	176.4	-78.9	168.4	0	0	0	113.2	L99 M104 V108 E109 E110 L115 G116	L99-L112 HydrophobicContact CD2-CD2 4.35Å; M104-L112 HydrophobicContact CE-CD1 3.63Å; M104-L112 HydrophobicContact SD-CD1 3.42Å; M104-L112 WeakPolarHBondContact SD-CD1 3.29Å; V108-L112 HydrophobicContact CG1-CD1 4.03Å; V108-L112 HydrophobicContact CG1-CG 4.44Å; V108-L112 VanDerWaalsContact O-CB 3.22Å; V108-L112 WeakPolarHBondContact O-CB 3.42Å; V108-L112 WeakPolarHBondContact O-CG 3Å; V108-L112 PolarHBondContact O-N 3.06Å; E109-L112 PolarHBondContact O-N 3.48Å; E110-L112 VanDerWaalsContact C-N 3.3Å; E110-L112 PolarHBondContact O-N 3.23Å; L112-L115 HydrophobicContact CD2-CD1 4.03Å; L112-L115 CarbonylContact O-C 3.55Å; L112-L115 PolarHBondContact O-N 2.82Å; L112-G116 PolarHBondContact O-N 3.29Å
113	R	67.9	Low	60.8	Low	179 Å²	179	77.9 Å²	77.9	68%	0.675	40%	0.402	S	S	*	.	H	α-helix	trans	-70.3	-37.4	169.9	-72.6	171.8	-170.8	166.7	10.8	111.5	E109 E110 L115 G116	E109-R113 WeakPolarHBondContact O-CG 3.37Å; E109-R113 PolarHBondContact O-N 3.34Å; E109-R113 IonicContact OE2-CZ 3.63Å; E109-R113 IonicContact OE2-NH2 2.77Å; E109-R113 PolarHBondContact OE2-NH2 3.42Å; E110-R113 PolarHBondContact O-N 2.88Å; R113-L115 VanDerWaalsContact C-N 3.31Å; R113-G116 PolarHBondContact O-N 3.14Å; R113-G116 VanDerWaalsContact O-N 3.11Å
114	I	63	Low	60.2	Low	95 Å²	95	78.2 Å²	78.2	49%	0.487	40%	0.395	S	S	.	.	H	α-helix	trans	-67.3	-33	171.4	-66.2	164.4	0	0	0	111.1	E110 L111 G116	E110-I114 HydrophobicContact CG-CD1 4.17Å; E110-I114 WeakPolarHBondContact O-CG1 3.4Å; E110-I114 PolarHBondContact O-N 2.7Å; L111-I114 CarbonylContact O-C 3.59Å; L111-I114 PolarHBondContact O-N 2.82Å; I114-G116 VanDerWaalsContact C-N 3.29Å
115	L	62	Low	59.8	Low	2 Å²	2	76.8 Å²	76.8	1%	0.01	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-5.3	169.9	-74.8	153.7	0	0	0	113.7	V25 L99 L111 L112 R113 P117 F118	V25-L115 HydrophobicContact CB-CD2 4.35Å; V25-L115 HydrophobicContact CG1-CD2 4.07Å; V25-L115 HydrophobicContact CG1-CG 4.22Å; V25-L115 HydrophobicContact CG2-CD2 3.86Å; V25-L115 HydrophobicContact CG2-CG 4.23Å; L99-L115 HydrophobicContact CD1-CD1 3.54Å; L99-L115 HydrophobicContact CD1-CD2 4.28Å; L99-L115 HydrophobicContact CD2-CD1 3.53Å; L99-L115 HydrophobicContact CG-CD1 4.2Å; L111-L115 HydrophobicContact CD1-CD1 4.31Å; L111-L115 HydrophobicContact CG-CD1 3.93Å; L111-L115 WeakPolarHBondContact O-CB 3.36Å; L111-L115 WeakPolarHBondContact O-CD1 3.44Å; L111-L115 VanDerWaalsContact O-CG 3.31Å; L111-L115 WeakPolarHBondContact O-CG 3.32Å; L111-L115 PolarHBondContact O-N 3.15Å; L112-L115 HydrophobicContact CD2-CD1 4.03Å; L112-L115 CarbonylContact O-C 3.55Å; L112-L115 PolarHBondContact O-N 2.82Å; R113-L115 VanDerWaalsContact C-N 3.31Å; L115-P117 CarbonylContact O-C 3.57Å; L115-P117 VanDerWaalsContact O-N 3.08Å; L115-F118 HydrophobicContact CD2-CB 4.42Å; L115-F118 HydrophobicContact CD2-CD1 3.71Å; L115-F118 HydrophobicContact CD2-CE1 4.28Å; L115-F118 HydrophobicContact CD2-CG 4.35Å; L115-F118 WeakPolarHBondContact O-CA 3.41Å; L115-F118 VanDerWaalsContact O-CB 3.28Å; L115-F118 WeakPolarHBondContact O-CB 3.31Å; L115-F118 PolarHBondContact O-N 2.89Å
116	G	62.2	Low	59.2	Low	47 Å²	47	80.2 Å²	80.2	49%	0.485	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	80.8	173	0	0	0	0	0	110.2	L112 R113 I114	L112-G116 PolarHBondContact O-N 3.29Å; R113-G116 PolarHBondContact O-N 3.14Å; R113-G116 VanDerWaalsContact O-N 3.11Å; I114-G116 VanDerWaalsContact C-N 3.29Å
117	P	60.8	Low	58.4	Low	81 Å²	81	80.9 Å²	80.9	53%	0.526	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn		-132.8	2.8	80.9	14.8	7.7	0	0	0	115.5	L115 Y119	L115-P117 CarbonylContact O-C 3.57Å; L115-P117 VanDerWaalsContact O-N 3.08Å; P117-Y119 VanDerWaalsContact C-N 3.34Å; P117-Y119 PolarHBondContact O-N 3.23Å
118	F	55.9	Low	58	Low	8 Å²	8	80.8 Å²	80.8	4%	0.035	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-36.8	-176.9	175.6	-107.5	0	0	0	112.7	R18 A21 A22 V92 M95 L115 I122	R18-F118 HydrophobicContact CB-CD2 4.32Å; R18-F118 HydrophobicContact CB-CE2 3.87Å; R18-F118 HydrophobicContact CG-CD2 4.42Å; R18-F118 HydrophobicContact CG-CE2 4.3Å; R18-F118 VanDerWaalsContact O-CE2 3.26Å; R18-F118 WeakPolarHBondContact O-CE2 3.32Å; A21-F118 HydrophobicContact CB-CD2 4.15Å; A22-F118 HydrophobicContact CB-CE2 3.98Å; A22-F118 HydrophobicContact CB-CZ 4.01Å; V92-F118 HydrophobicContact CB-CZ 4.48Å; V92-F118 HydrophobicContact CG1-CE2 4.26Å; V92-F118 HydrophobicContact CG1-CZ 3.93Å; V92-F118 HydrophobicContact CG2-CE2 4.16Å; V92-F118 HydrophobicContact CG2-CZ 4.28Å; M95-F118 HydrophobicContact CG-CE1 4.01Å; M95-F118 HydrophobicContact CG-CZ 4.3Å; L115-F118 HydrophobicContact CD2-CB 4.42Å; L115-F118 HydrophobicContact CD2-CD1 3.71Å; L115-F118 HydrophobicContact CD2-CE1 4.28Å; L115-F118 HydrophobicContact CD2-CG 4.35Å; L115-F118 WeakPolarHBondContact O-CA 3.41Å; L115-F118 VanDerWaalsContact O-CB 3.28Å; L115-F118 WeakPolarHBondContact O-CB 3.31Å; L115-F118 PolarHBondContact O-N 2.89Å; F118-I122 HydrophobicContact CD1-CD1 4.12Å; F118-I122 HydrophobicContact CE1-CD1 4.01Å; F118-I122 HydrophobicContact CE2-CD1 4.45Å; F118-I122 HydrophobicContact CG-CD1 4.39Å; F118-I122 HydrophobicContact CZ-CD1 4.2Å; F118-I122 WeakPolarHBondContact O-CD1 3.41Å; F118-I122 VanDerWaalsContact O-CG1 3.27Å; F118-I122 WeakPolarHBondContact O-CG1 3.31Å
119	Y	56.6	Low	57.3	Low	68 Å²	68	85.1 Å²	85.1	27%	0.267	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-39.5	-178.9	-97.2	-104.2	0	0	0	115.1	L99 P117 L121 I122	L99-Y119 HydrophobicContact CD1-CE2 3.52Å; L99-Y119 WeakPolarHBondContact CD1-OH 3.29Å; P117-Y119 VanDerWaalsContact C-N 3.34Å; P117-Y119 PolarHBondContact O-N 3.23Å; Y119-L121 VanDerWaalsContact C-N 3.29Å; Y119-L121 PolarHBondContact O-N 3.48Å; Y119-I122 WeakPolarHBondContact O-CB 2.98Å; Y119-I122 PolarHBondContact O-N 3.32Å
120	E	57.8	Low	56.4	Low	154 Å²	154	88.2 Å²	88.2	72%	0.72	43%	0.434	S	S	*	.	H	α-helix	trans	-58.3	-43.9	178	-71.4	-173.4	115.1	0	0	111.1	I122 D123	E120-I122 PolarHBondContact O-N 2.99Å; E120-D123 PolarHBondContact O-N 2.82Å
121	L	52.9	Low	55.4	Low	77 Å²	77	87.6 Å²	87.6	40%	0.403	43%	0.433	S	S	.	.	H	α-helix	trans	-64.3	-4.2	175.3	-78.9	164.3	0	0	0	114.7	R18 Y119	R18-L121 PolarHBondContact NH2-O 3.45Å; Y119-L121 VanDerWaalsContact C-N 3.29Å; Y119-L121 PolarHBondContact O-N 3.48Å
122	I	53	Low	54.5	Low	14 Å²	14	90.6 Å²	90.6	7%	0.072	46%	0.456	C	S	.	.	H	α-helix	trans	-98.9	-32.2	-179.6	-71.5	165.6	0	0	0	112.1	F118 Y119 E120	F118-I122 HydrophobicContact CD1-CD1 4.12Å; F118-I122 HydrophobicContact CE1-CD1 4.01Å; F118-I122 HydrophobicContact CE2-CD1 4.45Å; F118-I122 HydrophobicContact CG-CD1 4.39Å; F118-I122 HydrophobicContact CZ-CD1 4.2Å; F118-I122 WeakPolarHBondContact O-CD1 3.41Å; F118-I122 VanDerWaalsContact O-CG1 3.27Å; F118-I122 WeakPolarHBondContact O-CG1 3.31Å; Y119-I122 WeakPolarHBondContact O-CB 2.98Å; Y119-I122 PolarHBondContact O-N 3.32Å; E120-I122 PolarHBondContact O-N 2.99Å
123	D	47.3	Very low	53.3	Low	93 Å²	93	95.6 Å²	95.6	50%	0.497	48%	0.483	S	S	.	.	H	α-helix	trans	-77.8	-24.3	176.2	-86.6	-25.9	0	0	0	113.2	E120 K125 K126 K127	E120-D123 PolarHBondContact O-N 2.82Å; D123-K125 PolarHBondContact O-N 2.96Å; D123-K126 WeakPolarHBondContact O-CB 3.32Å; D123-K126 PolarHBondContact O-N 2.89Å; D123-K126 WeakPolarHBondContact OD1-CD 3.46Å; D123-K126 WeakPolarHBondContact OD1-CE 3.45Å; D123-K126 IonicContact OD1-NZ 2.79Å; D123-K126 PolarHBondContact OD1-NZ 2.91Å; D123-K127 PolarHBondContact O-N 3.31Å
124	E	48.4	Very low	52.4	Low	106 Å²	106	94.5 Å²	94.5	50%	0.495	49%	0.49	S	S	.	.	H	α-helix	trans	-54.7	-38.4	175.8	-66.8	-172	145.7	0	0	112.6	K126 K127 I128	E124-K126 VanDerWaalsContact C-N 3.27Å; E124-K126 PolarHBondContact O-N 3.31Å; E124-K127 WeakPolarHBondContact O-CA 3.29Å; E124-K127 WeakPolarHBondContact O-CB 3.49Å; E124-K127 PolarHBondContact O-N 3.33Å; E124-I128 HydrophobicContact CB-CD1 4.43Å; E124-I128 VanDerWaalsContact O-CG1 3.29Å; E124-I128 WeakPolarHBondContact O-CG1 3.44Å; E124-I128 PolarHBondContact O-N 3.16Å
125	K	50.3	Low	51.4	Low	102 Å²	102	94.8 Å²	94.8	44%	0.443	50%	0.501	S	S	.	.	H	α-helix	trans	-65.8	-27	178.7	82	169.8	-175.9	170.6	0	113.6	D123 T129	D123-K125 PolarHBondContact O-N 2.96Å; K125-T129 PolarHBondContact O-OG1 2.87Å
126	K	51.8	Low	50.5	Low	125 Å²	125	101.1 Å²	101.1	54%	0.543	54%	0.539	S	S	.	.	H	α-helix	trans	-77.4	-28.5	174.4	-57.8	174.3	-170.2	156.9	0	111.2	D123 E124 T129	D123-K126 WeakPolarHBondContact O-CB 3.32Å; D123-K126 PolarHBondContact O-N 2.89Å; D123-K126 WeakPolarHBondContact OD1-CD 3.46Å; D123-K126 WeakPolarHBondContact OD1-CE 3.45Å; D123-K126 IonicContact OD1-NZ 2.79Å; D123-K126 PolarHBondContact OD1-NZ 2.91Å; E124-K126 VanDerWaalsContact C-N 3.27Å; E124-K126 PolarHBondContact O-N 3.31Å; K126-T129 PolarHBondContact O-OG1 3.45Å; K126-T129 VanDerWaalsContact O-OG1 3.06Å
127	K	46.6	Very low	49.5	Very low	157 Å²	157	102.6 Å²	102.6	68%	0.683	56%	0.555	S	S	*	*	H	α-helix	trans	-78.6	-42.4	179.5	-137.7	170.9	-173	173.5	0	111.8	D123 E124 T129 Q130	D123-K127 PolarHBondContact O-N 3.31Å; E124-K127 WeakPolarHBondContact O-CA 3.29Å; E124-K127 WeakPolarHBondContact O-CB 3.49Å; E124-K127 PolarHBondContact O-N 3.33Å; K127-T129 VanDerWaalsContact C-N 3.34Å; K127-T129 PolarHBondContact O-N 3.37Å; K127-Q130 PolarHBondContact O-N 3.42Å; K127-Q130 VanDerWaalsContact O-N 3.12Å
128	I	51.1	Low	48.3	Very low	97 Å²	97	108.9 Å²	108.9	50%	0.497	57%	0.574	S	S	.	*	H	α-helix	trans	-62.7	-39.1	179.8	-69.4	162.7	0	0	0	111.4	E124 Q130 I131	E124-I128 HydrophobicContact CB-CD1 4.43Å; E124-I128 VanDerWaalsContact O-CG1 3.29Å; E124-I128 WeakPolarHBondContact O-CG1 3.44Å; E124-I128 PolarHBondContact O-N 3.16Å; I128-Q130 PolarHBondContact O-N 3.26Å; I128-Q130 VanDerWaalsContact O-N 3.16Å; I128-I131 WeakPolarHBondContact O-CG1 3.41Å; I128-I131 PolarHBondContact O-N 2.98Å
129	T	47.7	Very low	47.1	Very low	100 Å²	100	111.5 Å²	111.5	61%	0.613	60%	0.604	S	S	*	*	H	α-helix	trans	-66	-12.9	176	43.4	0	0	0	0	114.8	K125 K126 K127	K125-T129 PolarHBondContact O-OG1 2.87Å; K126-T129 PolarHBondContact O-OG1 3.45Å; K126-T129 VanDerWaalsContact O-OG1 3.06Å; K127-T129 VanDerWaalsContact C-N 3.34Å; K127-T129 PolarHBondContact O-N 3.37Å
130	Q	46.2	Very low	46.3	Very low	153 Å²	153	114.8 Å²	114.8	72%	0.715	63%	0.631	S	S	*	*	H	α-helix	trans	-97.7	-11.1	177.4	-70.8	-168.3	-19.5	0	0	114.4	K127 I128	K127-Q130 PolarHBondContact O-N 3.42Å; K127-Q130 VanDerWaalsContact O-N 3.12Å; I128-Q130 PolarHBondContact O-N 3.26Å; I128-Q130 VanDerWaalsContact O-N 3.16Å
131	I	46.8	Very low	45.5	Very low	116 Å²	116	114.2 Å²	114.2	60%	0.595	64%	0.638	S	S	*	*	H	α-helix	trans	-96.2	-12.7	-179.4	51.3	174.3	0	0	0	114	I128 D133	I128-I131 WeakPolarHBondContact O-CG1 3.41Å; I128-I131 PolarHBondContact O-N 2.98Å; I131-D133 VanDerWaalsContact C-N 3.3Å; I131-D133 PolarHBondContact O-N 3.39Å
132	S	47.5	Very low	45	Very low	85 Å²	85	117.3 Å²	117.3	59%	0.594	65%	0.654	S	S	*	*	G	3₁₀ helix	trans	-67	-24.2	178.6	-58.9	0	0	0	0	114.4	L134	S132-L134 VanDerWaalsContact C-N 3.31Å; S132-L134 PolarHBondContact O-N 2.98Å
133	D	44.3	Very low	44.4	Very low	148 Å²	148	123.1 Å²	123.1	79%	0.791	69%	0.685	S	S	*	*	G	3₁₀ helix	trans	-81.1	-2	-176.1	-77.5	-24.5	0	0	0	114.6	I131	I131-D133 VanDerWaalsContact C-N 3.3Å; I131-D133 PolarHBondContact O-N 3.39Å
134	L	48	Very low	43.6	Very low	156 Å²	156	124 Å²	124	82%	0.817	70%	0.699	S	S	*	*	G	3₁₀ helix	trans	-100.4	9.4	-176	-68.5	177.8	0	0	0	115	S132	S132-L134 VanDerWaalsContact C-N 3.31Å; S132-L134 PolarHBondContact O-N 2.98Å
135	S	42.4	Very low	43	Very low	102 Å²	102	127.3 Å²	127.3	71%	0.713	72%	0.716	S	S	*	*	S	Bend	trans	-126.3	34.3	-170.3	-166.7	0	0	0	0	116.8
136	T	42.7	Very low	42.3	Very low	134 Å²	134	128.4 Å²	128.4	82%	0.822	72%	0.723	S	S	*	*			trans	-139.7	41.9	169.8	-14.8	0	0	0	0	114.7	F138	T136-F138 PolarHBondContact O-N 2.88Å
137	G	41.3	Very low	41.3	Very low	79 Å²	79	128.6 Å²	128.6	81%	0.814	74%	0.74	S	S	*	*			trans	-72.7	42.5	-175.4	0	0	0	0	0	117.5
138	F	34.9	Very low	40.9	Very low	212 Å²	212	128.4 Å²	128.4	93%	0.93	74%	0.739	S	S	*	*	S	Bend	trans	-159.8	114.4	166.8	-136.1	-92.3	0	0	0	114.2	T136	T136-F138 PolarHBondContact O-N 2.88Å
139	G	32	Very low	40.3	Very low	64 Å²	64	129.2 Å²	129.2	66%	0.66	75%	0.754	S	S	*	*			trans	120.2	130.9	152.8	0	0	0	0	0	119
140	T	38.6	Very low	39.8	Very low	137 Å²	137	131.4 Å²	131.4	84%	0.84	77%	0.766	S	S	*	*			trans	77.9	92.7	153.8	-39.4	0	0	0	0	118.9
141	V	40.8	Very low	39.1	Very low	141 Å²	141	128.3 Å²	128.3	86%	0.855	77%	0.767	S	S	*	*			trans	-67.6	135.5	160.2	-165	0	0	0	0	110.6
142	L	43.5	Very low	38.7	Very low	142 Å²	142	132 Å²	132	74%	0.743	78%	0.779	S	S	*	*			trans	-165.8	140	150.9	-103.9	177.2	0	0	0	111.3
143	N	39.3	Very low	38	Very low	136 Å²	136	132.6 Å²	132.6	73%	0.727	78%	0.783	S	S	*	*			trans	37.6	117.6	160.2	-56.2	-10.7	0	0	0	119
144	S	32.2	Very low	37.9	Very low	111 Å²	111	133 Å²	133	78%	0.776	78%	0.783	S	S	*	*			cis	56.1	94.7	41.2	-161.4	0	0	0	0	115.2
145	M	35.7	Very low	37.5	Very low	177 Å²	177	133.5 Å²	133.5	87%	0.872	79%	0.785	S	S	*	*				-167.1	109.6	105	-164.8	121.6	72.1	0	0	113.1
146	E	35.8	Very low	37.3	Very low	125 Å²	125	138.8 Å²	138.8	58%	0.584	79%	0.79	S	S	*	*			trans	-9	143.4	151.1	-167.7	-170.5	-116.7	0	0	121.4	K148	E146-K148 VanDerWaalsContact CD-CE 3.45Å; E146-K148 HydrophobicContact CG-CG 3.89Å; E146-K148 WeakPolarHBondContact OE1-CE 3.35Å; E146-K148 IonicContact OE1-NZ 3.63Å; E146-K148 PolarHBondContact OE1-NZ 3.49Å; E146-K148 IonicContact OE2-NZ 3.23Å; E146-K148 PolarHBondContact OE2-NZ 3Å
147	S	30.9	Very low	36.9	Very low	128 Å²	128	138.2 Å²	138.2	90%	0.895	78%	0.781	S	S	*	*			trans	-149.7	152.9	139.2	-81.3	0	0	0	0	110.5
148	K	38.1	Very low	36.7	Very low	154 Å²	154	143.9 Å²	143.9	67%	0.67	79%	0.789	S	S	*	*			trans	-122.5	132.8	-153.8	-59.3	178.4	166.8	93.4	0	115.9	E146	E146-K148 VanDerWaalsContact CD-CE 3.45Å; E146-K148 HydrophobicContact CG-CG 3.89Å; E146-K148 WeakPolarHBondContact OE1-CE 3.35Å; E146-K148 IonicContact OE1-NZ 3.63Å; E146-K148 PolarHBondContact OE1-NZ 3.49Å; E146-K148 IonicContact OE2-NZ 3.23Å; E146-K148 PolarHBondContact OE2-NZ 3Å
149	S	37.3	Very low	36.7	Very low	114 Å²	114	142.1 Å²	142.1	80%	0.797	78%	0.784	S	S	*	*			trans	-168.6	99.7	142.6	40.7	0	0	0	0	110.1
150	V	36.4	Very low	37.1	Very low	145 Å²	145	147.4 Å²	147.4	88%	0.879	79%	0.793	S	S	*	*				63.9	92.1	91.8	179.5	0	0	0	0	114.1
151	A	32.1	Very low	36.9	Very low	88 Å²	88	148 Å²	148	73%	0.727	79%	0.791	S	S	*	*				-177	129.1	114.6	0	0	0	0	0	114
152	K	39	Very low	36.6	Very low	194 Å²	194	144.6 Å²	144.6	84%	0.843	79%	0.785	S	S	*	*			trans	15.4	112.2	142.8	-60.5	168	-175.8	175.2	0	117.3
153	S	32.4	Very low	35.7	Very low	98 Å²	98	145 Å²	145	69%	0.685	79%	0.793	S	S	*	*				63.6	116.5	68.5	80.5	0	0	0	0	115.6
154	I	42	Very low	35.2	Very low	156 Å²	156	145.1 Å²	145.1	80%	0.8	79%	0.793	S	S	*	*				-166.7	131.7	114	-93.7	150.3	0	0	0	108.6
155	I	39.1	Very low	35	Very low	166 Å²	166	147.9 Å²	147.9	85%	0.851	79%	0.794	S	S	*	*			trans	-113.3	123.4	161.5	-66.4	174.3	0	0	0	106.7
156	R	39	Very low	34.6	Very low	214 Å²	214	145.8 Å²	145.8	81%	0.808	79%	0.791	S	S	*	*			trans	-155.6	94.2	164.6	-93.9	-144.2	151.8	82.2	-2.4	107.2
157	N	34.5	Very low	34.3	Very low	121 Å²	121	151.1 Å²	151.1	65%	0.647	81%	0.806	S	S	*	*				76.4	92.5	73.8	92.9	-51.6	0	0	0	113.5
158	M	36.6	Very low	35.2	Very low	198 Å²	198	150.6 Å²	150.6	98%	0.975	80%	0.8	S	S	*	*			trans	-112.5	114.2	159.3	-74.8	177.4	64.5	0	0	107.9
159	E	35.8	Very low	34.6	Very low	175 Å²	175	148 Å²	148	82%	0.818	81%	0.807	S	S	*	*			trans	-105.5	134.4	168.5	-173.1	-179	145.5	0	0	107.5
160	M	39.2	Very low	34	Very low	175 Å²	175	154.1 Å²	154.1	86%	0.862	81%	0.813	S	S	*	*			trans	-104.1	128.1	-171.4	175.9	161.2	59.3	0	0	111.8
161	N	34.3	Very low	33.5	Very low	150 Å²	150	155 Å²	155	80%	0.802	81%	0.812	S	S	*	*			trans	-150	139.3	161.5	-82.2	-66	0	0	0	109.2
162	G	34.3	Very low	33.2	Very low	70 Å²	70	160.4 Å²	160.4	72%	0.722	81%	0.813	S	S	*	*			trans	-146.8	166.8	174.8	0	0	0	0	0	111.4
163	T	26.4	Very low	32.7	Very low	149 Å²	149	159.1 Å²	159.1	91%	0.914	81%	0.81	S	S	*	*			trans	-163.5	162.5	172.3	-78.3	0	0	0	0	111.2
164	L	28.3	Very low	32.5	Very low	139 Å²	139	158.9 Å²	158.9	73%	0.728	80%	0.801	S	S	*	*			trans	-76.5	160.8	-166	-108	67.7	0	0	0	118.4
165	E	27.7	Very low	32	Very low	169 Å²	169	157.6 Å²	157.6	79%	0.79	79%	0.792	S	S	*	*			trans	57.1	148.8	146.4	-65.7	-176.3	161.4	0	0	119.7
166	T	27.3	Very low	31.6	Very low	134 Å²	134	157.6 Å²	157.6	82%	0.822	79%	0.788	S	S	*	*			cis	-150.1	169.7	37.5	49.3	0	0	0	0	114.8
167	R	28.9	Very low	31.1	Very low	236 Å²	236	152 Å²	152	89%	0.891	78%	0.777	S	S	*	*			trans	-89.2	-177.9	169.8	-107.6	174.5	178.7	157.6	-0.9	112.2
168	P	51.3	Low	30.9	Very low	117 Å²	117	153.1 Å²	153.1	76%	0.76	78%	0.779	S	S	*	*			cis	-138.6	164.1	-19.1	37.8	-20.3	0	0	0	116.6
169	A	25.1	Very low	30.5	Very low	100 Å²	100	149.8 Å²	149.8	83%	0.826	76%	0.761	S	S	*	*			trans	171.7	138.5	142.4	0	0	0	0	0	109
170	R	24.4	Very low	30.2	Very low	243 Å²	243	148.8 Å²	148.8	92%	0.917	76%	0.756	S	S	*	*			cis	108.6	85.7	19.3	-169.1	-166.1	-162.6	-176.1	7.9	113.3
171	L	27.1	Very low	29.8	Very low	163 Å²	163	149.4 Å²	149.4	85%	0.853	76%	0.757	S	S	*	*			trans	-179.3	116.8	148.1	-92.8	152	0	0	0	105.2
172	R	25.5	Very low	29.7	Very low	202 Å²	202	151.3 Å²	151.3	76%	0.762	76%	0.761	S	S	*	*				58.7	98.4	70.4	-91.3	-167.7	170.5	-101.9	-1.8	114.4
173	Q	27.6	Very low	29.5	Very low	167 Å²	167	156.7 Å²	156.7	78%	0.78	77%	0.767	S	S	*	*				-166.9	136.4	99.4	-97.3	175.6	-75.1	0	0	107.7
174	N	27.9	Very low	29.9	Very low	92 Å²	92	157.6 Å²	157.6	49%	0.492	76%	0.761	S	S	.	*				66.6	132.3	77	-66.1	49.6	0	0	0	110.9
175	E	31.8	Very low	30	Very low	129 Å²	129	157.3 Å²	157.3	60%	0.603	76%	0.756	S	S	*	*			cis	-159.3	152.4	12.7	-110.3	141.8	-174.1	0	0	110.2
176	E	30.1	Very low	30.2	Very low	167 Å²	167	154.4 Å²	154.4	78%	0.78	75%	0.746	S	S	*	*			trans	65.3	156	135.6	-64.6	172	179.9	0	0	119.9
177	V	30	Very low	30.6	Very low	96 Å²	96	150.9 Å²	150.9	58%	0.582	72%	0.72	S	S	*	*			cis	-160.9	144.5	-8.1	115.5	0	0	0	0	109.9
178	E	30.1	Very low	30.8	Very low	144 Å²	144	144.7 Å²	144.7	67%	0.673	71%	0.705	S	S	*	*			trans	40.2	179.2	152.1	-56.7	148.4	-158.7	0	0	118.9
179	Q	27.6	Very low	30.4	Very low	128 Å²	128	146.8 Å²	146.8	60%	0.598	71%	0.705	S	S	*	*			cis	-131.5	139.9	-7.8	-124.1	104.5	36.2	0	0	105.4
180	E	29	Very low	30.9	Very low	154 Å²	154	147.9 Å²	147.9	72%	0.72	69%	0.693	S	S	*	*				69.8	151.5	89.6	-63.8	175	-178.1	0	0	115
181	E	30.2	Very low	31.4	Very low	188 Å²	188	145 Å²	145	88%	0.879	69%	0.69	S	S	*	*			trans	69.9	112.7	179.2	-57	172.9	-176.4	0	0	113.5
182	E	34.3	Very low	31.6	Very low	190 Å²	190	143.1 Å²	143.1	89%	0.888	68%	0.676	S	S	*	*			cis	69.8	156.1	30.4	-82.9	-178.1	-161.5	0	0	115.9
183	E	29.5	Very low	31.9	Very low	183 Å²	183	137.4 Å²	137.4	86%	0.855	68%	0.68	S	S	*	*			trans	73.8	119.3	-158.8	-52.7	-175.4	-175.1	0	0	113
184	E	34	Very low	32.2	Very low	168 Å²	168	136.7 Å²	136.7	79%	0.785	68%	0.675	S	S	*	*			cis	73.5	144.6	42.8	-54	-73	-173.5	0	0	112.6
185	E	31.1	Very low	32.5	Very low	133 Å²	133	141 Å²	141	62%	0.621	69%	0.692	S	S	*	*			cis	-162.5	-170.4	27.4	-149.8	172.5	-155.8	0	0	112.5	T400 T401	E185-T400 WeakPolarHBondContact O-CG2 3.27Å; E185-T401 WeakPolarHBondContact O-CG2 3.36Å
186	D	32.3	Very low	32.5	Very low	108 Å²	108	142 Å²	142	58%	0.578	70%	0.701	S	S	*	*			trans	-73.8	169.4	-173.6	-129.5	-6	0	0	0	115.4	T400 A404	D186-T400 VanDerWaalsContact C-C 3.47Å; D186-T400 CarbonylContact C-O 3.32Å; D186-T400 VanDerWaalsContact C-O 3.32Å; D186-T400 CarbonylContact O-C 3.41Å; D186-A404 WeakPolarHBondContact O-CB 3.5Å
187	E	34.2	Very low	32.5	Very low	60 Å²	60	140.3 Å²	140.3	28%	0.28	70%	0.702	S	S	.	*			cis	-148.4	141.4	23.5	-44	153.9	118	0	0	114.7	T400 L403 A404	E187-T400 PolarHBondContact N-O 3.38Å; E187-T400 WeakPolarHBondContact O-CA 3.46Å; E187-L403 HydrophobicContact CB-CB 4.07Å; E187-L403 HydrophobicContact CB-CD2 3.8Å; E187-L403 HydrophobicContact CB-CG 4.29Å; E187-L403 WeakPolarHBondContact O-CB 3.3Å; E187-L403 WeakPolarHBondContact OE2-CG 3.43Å; E187-A404 HydrophobicContact CG-CB 4.45Å; E187-A404 VanDerWaalsContact OE2-CA 3.26Å; E187-A404 WeakPolarHBondContact OE2-CA 3.5Å; E187-A404 PolarHBondContact OE2-N 2.93Å
188	D	33.3	Very low	32.6	Very low	106 Å²	106	144.6 Å²	144.6	57%	0.567	72%	0.718	S	S	*	*			trans	57.5	-172.3	155.9	-54.9	-42	0	0	0	122.7	L403	D188-L403 HydrophobicContact CB-CD2 3.96Å
189	E	42.6	Very low	32.6	Very low	162 Å²	162	146.5 Å²	146.5	76%	0.757	73%	0.727	S	S	*	*			cis	-155.8	174.8	-1.5	-139.7	-163.7	-175.5	0	0	107.2
190	E	37.5	Very low	32.8	Very low	123 Å²	123	148.1 Å²	148.1	58%	0.575	74%	0.738	S	S	*	*			cis	-164.1	157.6	-7.8	-153.1	-86	123.9	0	0	108.5	E192	E190-E192 PolarHBondContact OE1-N 2.86Å
191	E	33.8	Very low	33	Very low	183 Å²	183	151.7 Å²	151.7	86%	0.855	75%	0.745	S	S	*	*			trans	-162.8	148.4	135.7	-135.2	-164.2	-175.7	0	0	114.3
192	E	32.3	Very low	32.8	Very low	123 Å²	123	152.9 Å²	152.9	58%	0.575	75%	0.747	S	S	*	*			trans	-77.1	160.7	-157.8	-51.8	177.1	121.4	0	0	118.3	E190 K194	E190-E192 PolarHBondContact OE1-N 2.86Å; E192-K194 WeakPolarHBondContact OE1-CE 3.23Å; E192-K194 IonicContact OE1-NZ 2.57Å; E192-K194 PolarHBondContact OE1-NZ 2.85Å; E192-K194 IonicContact OE2-NZ 3.19Å; E192-K194 PolarHBondContact OE2-NZ 3.19Å
193	G	30.6	Very low	32.6	Very low	82 Å²	82	148.1 Å²	148.1	85%	0.845	74%	0.741	S	S	*	*			trans	-134.9	119.6	153.2	0	0	0	0	0	112
194	K	33.6	Very low	32.5	Very low	152 Å²	152	146.1 Å²	146.1	66%	0.661	74%	0.741	S	S	*	*			trans	-100.7	-178.7	-175.1	-73.4	-164.7	169	90.4	0	113.9	E192	E192-K194 WeakPolarHBondContact OE1-CE 3.23Å; E192-K194 IonicContact OE1-NZ 2.57Å; E192-K194 PolarHBondContact OE1-NZ 2.85Å; E192-K194 IonicContact OE2-NZ 3.19Å; E192-K194 PolarHBondContact OE2-NZ 3.19Å
195	E	33.8	Very low	32.5	Very low	183 Å²	183	146.6 Å²	146.6	86%	0.855	74%	0.744	S	S	*	*			trans	86.9	135.6	164.8	-65.5	-175.1	-167	0	0	117.7
196	D	32.1	Very low	33.5	Very low	150 Å²	150	145 Å²	145	80%	0.802	75%	0.745	S	S	*	*			cis	-157	173.1	-15.8	-153.1	-0.3	0	0	0	112.6
197	T	31.6	Very low	33.3	Very low	130 Å²	130	150 Å²	150	80%	0.798	76%	0.761	S	S	*	*			trans	-117.4	145.7	-171.7	-52.1	0	0	0	0	114.9
198	M	31.1	Very low	33.1	Very low	187 Å²	187	156.2 Å²	156.2	92%	0.921	79%	0.787	S	S	*	*			trans	-74	141.9	174.5	-71.9	-171.8	174.7	0	0	114.4
199	E	31.1	Very low	32.8	Very low	184 Å²	184	160.3 Å²	160.3	86%	0.86	80%	0.8	S	S	*	*			trans	-158.8	146.6	141.6	-136.2	-165.3	-145.4	0	0	114.7
200	I	30.7	Very low	32	Very low	161 Å²	161	160.3 Å²	160.3	83%	0.826	80%	0.804	S	S	*	*			trans	-134.3	93.3	172.5	-56.8	-176.8	0	0	0	112.7
201	R	32.8	Very low	31.6	Very low	229 Å²	229	159.7 Å²	159.7	86%	0.864	81%	0.813	S	S	*	*			trans	27.5	126.4	138.1	-58.2	-180	-179.8	177.3	0.7	120.2
202	K	26.7	Very low	31.5	Very low	213 Å²	213	157.1 Å²	157.1	93%	0.926	81%	0.81	S	S	*	*			trans	-135.5	152.1	149.4	-84.3	-178.8	178.2	168.9	0	111
203	A	29.5	Very low	31.4	Very low	91 Å²	91	162.6 Å²	162.6	75%	0.752	83%	0.825	S	S	*	*			trans	-151.2	140.5	-173.8	0	0	0	0	0	115.4
204	T	28.5	Very low	31.5	Very low	141 Å²	141	168.9 Å²	168.9	87%	0.865	82%	0.823	S	S	*	*			trans	61.2	142.5	149.2	-21.5	0	0	0	0	122.1
205	Q	33.3	Very low	31.7	Very low	178 Å²	178	168.9 Å²	168.9	83%	0.832	83%	0.826	S	S	*	*			trans	-105.2	-156.7	165.8	-43.3	-176.4	-0.2	0	0	110.4
206	P	53.1	Low	31.8	Very low	99 Å²	99	169.4 Å²	169.4	64%	0.643	83%	0.825	S	S	*	*			cis	-128.8	172.4	-32.5	37.8	-24.2	0	0	0	113.1
207	K	26.9	Very low	31.8	Very low	212 Å²	212	166.3 Å²	166.3	92%	0.922	82%	0.82	S	S	*	*			trans	-175.2	167	142.5	-102.3	145.2	-170.3	166.4	0	116.4
208	K	29.6	Very low	31.6	Very low	191 Å²	191	164.8 Å²	164.8	83%	0.83	82%	0.815	S	S	*	*			trans	-82.7	147.5	-164.9	-48.6	163.4	-179.5	177.5	0	114.8
209	K	28.5	Very low	31.7	Very low	193 Å²	193	163 Å²	163	84%	0.839	81%	0.808	S	S	*	*				163.3	128.6	114.9	-89.8	175.2	-178.3	-178.2	0	115.9
210	I	25.4	Very low	31.8	Very low	162 Å²	162	161.6 Å²	161.6	83%	0.831	80%	0.801	S	S	*	*			trans	16.6	123.6	136.3	-63	158	0	0	0	119.2
211	S	28.7	Very low	31.8	Very low	110 Å²	110	161.1 Å²	161.1	77%	0.769	80%	0.801	S	S	*	*				-177.4	166	107.3	-156.4	0	0	0	0	115
212	T	31.7	Very low	31.8	Very low	129 Å²	129	154 Å²	154	79%	0.791	80%	0.798	S	S	*	*			trans	-66.9	157.6	-172.4	63.7	0	0	0	0	116
213	R	30.2	Very low	31.9	Very low	238 Å²	238	152.7 Å²	152.7	90%	0.898	79%	0.792	S	S	*	*				-162.3	166.2	78.8	-159	166.9	-178.9	168.3	-0.2	114.1
214	R	33.6	Very low	32	Very low	214 Å²	214	155.4 Å²	155.4	81%	0.808	79%	0.794	S	S	*	*			trans	-75.1	167.5	-173.8	-94.9	177.4	167.8	168.5	-3.7	114.1
215	H	36.1	Very low	32.2	Very low	152 Å²	152	153.3 Å²	153.3	70%	0.704	79%	0.785	S	S	*	*				-155.9	141.2	52.8	-88	-101.6	0	0	0	117.5
216	K	36	Very low	32	Very low	194 Å²	194	152.5 Å²	152.5	84%	0.843	79%	0.786	S	S	*	*			trans	41.6	139.6	144	-77.2	-165.8	170.2	-174.4	0	120.8
217	A	33.1	Very low	30.8	Very low	85 Å²	85	151.4 Å²	151.4	70%	0.702	79%	0.793	S	S	*	*			cis	-167.3	-159.2	-5.8	0	0	0	0	0	108
218	S	27	Very low	30.9	Very low	98 Å²	98	144.6 Å²	144.6	69%	0.685	78%	0.783	S	S	*	*			cis	-165.8	152.1	2.7	-141.8	0	0	0	0	111.4
219	L	33.9	Very low	31	Very low	150 Å²	150	141 Å²	141	79%	0.785	78%	0.781	S	S	*	*			trans	57.6	142.1	158.3	-60.3	172.4	0	0	0	119.1
220	Q	33.3	Very low	31.1	Very low	153 Å²	153	139.5 Å²	139.5	72%	0.715	78%	0.777	S	S	*	*			cis	-160.6	159.3	-17.4	-170.1	164.8	8.6	0	0	109.8
221	N	29.9	Very low	31.4	Very low	152 Å²	152	139 Å²	139	81%	0.813	78%	0.775	S	S	*	*			trans	-12.7	150.3	170.7	-50.4	-8.3	0	0	0	119
222	G	31.8	Very low	31.4	Very low	78 Å²	78	137.7 Å²	137.7	80%	0.804	77%	0.771	S	S	*	*			cis	167.6	-170.2	11.9	0	0	0	0	0	108.4
223	K	28.9	Very low	31.3	Very low	186 Å²	186	139.8 Å²	139.8	81%	0.809	78%	0.778	S	S	*	*			cis	-175.1	130.2	11.3	165.6	-175.4	175	-176.2	0	109.8
224	L	32.1	Very low	31.2	Very low	148 Å²	148	132 Å²	132	78%	0.775	77%	0.771	S	S	*	*			trans	62.4	165.2	163	-63.9	176.2	0	0	0	117.6
225	S	33.2	Very low	31.1	Very low	97 Å²	97	126.6 Å²	126.6	68%	0.678	77%	0.766	S	S	*	*			cis	-165.5	137.8	-27.8	50.9	0	0	0	0	113.6
226	N	28.6	Very low	31	Very low	162 Å²	162	127.2 Å²	127.2	87%	0.866	77%	0.769	S	S	*	*			trans	32.5	111.9	140.3	-164.5	66.6	0	0	0	122.6
227	G	28.3	Very low	30.7	Very low	76 Å²	76	126.7 Å²	126.7	78%	0.784	77%	0.77	S	S	*	*			trans	87.9	163.6	137.6	0	0	0	0	0	118.8
228	G	28.5	Very low	30.5	Very low	69 Å²	69	132.6 Å²	132.6	71%	0.711	77%	0.774	S	S	*	*			trans	121.8	69.9	164	0	0	0	0	0	118.6
229	S	31.9	Very low	30.7	Very low	114 Å²	114	132.7 Å²	132.7	80%	0.797	78%	0.781	S	S	*	*			trans	20.9	135.1	134.9	61.7	0	0	0	0	123
230	H	30.5	Very low	30.7	Very low	163 Å²	163	131.4 Å²	131.4	76%	0.755	78%	0.775	S	S	*	*				90.8	119.8	121.8	168.2	-77.8	0	0	0	122.6
231	L	31.7	Very low	30.8	Very low	150 Å²	150	132.3 Å²	132.3	79%	0.785	78%	0.784	S	S	*	*			trans	86.1	158.8	152.3	-85.3	-168.1	0	0	0	124
232	A	29.9	Very low	31	Very low	83 Å²	83	132.9 Å²	132.9	69%	0.686	78%	0.782	S	S	*	*			trans	90.2	92.1	151.5	0	0	0	0	0	120.3
233	N	28.4	Very low	31.3	Very low	174 Å²	174	137.5 Å²	137.5	93%	0.93	78%	0.782	S	S	*	*				32.9	119.9	107.8	-165	40.9	0	0	0	119
234	G	28.1	Very low	31.4	Very low	74 Å²	74	135.6 Å²	135.6	76%	0.763	78%	0.781	S	S	*	*			trans	175.7	144.8	168.4	0	0	0	0	0	112.3
235	S	32.4	Very low	31.5	Very low	100 Å²	100	132.4 Å²	132.4	70%	0.699	78%	0.776	S	S	*	*			trans	-140.9	164.7	-176.7	-171.4	0	0	0	0	112.3
236	H	32.7	Very low	31.5	Very low	165 Å²	165	132.4 Å²	132.4	76%	0.764	78%	0.776	S	S	*	*			trans	67.4	119.1	170.5	-58	-77	0	0	0	119.9
237	Q	29.7	Very low	31.6	Very low	184 Å²	184	131.3 Å²	131.3	86%	0.86	77%	0.77	S	S	*	*				-152.8	115.4	116	-98.9	152.7	18.1	0	0	106.4
238	R	29.1	Very low	31.8	Very low	208 Å²	208	139.3 Å²	139.3	79%	0.785	78%	0.777	S	S	*	*				72.9	114.8	82.8	-81.9	-164	176.4	-159	0.1	113.2
239	A	32.6	Very low	32	Very low	100 Å²	100	144.3 Å²	144.3	83%	0.826	78%	0.782	S	S	*	*			trans	-101	153.7	138.5	0	0	0	0	0	107
240	D	32.7	Very low	33.2	Very low	124 Å²	124	143.1 Å²	143.1	66%	0.663	77%	0.771	S	S	*	*			trans	-104.2	149.3	-176.6	-52.9	-71.2	0	0	0	111
241	D	36.5	Very low	33.2	Very low	172 Å²	172	142.4 Å²	142.4	92%	0.92	77%	0.772	S	S	*	*			trans	-162.2	154.9	147.3	-111.1	-38.6	0	0	0	109.1
242	E	33.9	Very low	33.2	Very low	164 Å²	164	140.4 Å²	140.4	77%	0.766	77%	0.766	S	S	*	*			trans	-109.1	172.8	-162.9	-67.1	-165.9	97.1	0	0	115.8
243	H	37.2	Very low	33.3	Very low	174 Å²	174	144.3 Å²	144.3	81%	0.806	78%	0.775	S	S	*	*			trans	75.3	143.4	169	-54.3	-64.1	0	0	0	118.3
244	D	31.3	Very low	33.5	Very low	147 Å²	147	139.6 Å²	139.6	79%	0.786	77%	0.768	S	S	*	*			cis	-158.6	168.7	-24.9	-171.6	23.1	0	0	0	109.1
245	A	33.8	Very low	33.8	Very low	81 Å²	81	143.8 Å²	143.8	67%	0.669	77%	0.768	S	S	*	*			trans	7.8	145.9	159	0	0	0	0	0	121.9
246	S	33.9	Very low	33.9	Very low	96 Å²	96	149 Å²	149	67%	0.671	77%	0.774	S	S	*	*			cis	-175.9	151.4	-10.9	-173.3	0	0	0	0	110.2
247	N	31.4	Very low	34.1	Very low	140 Å²	140	145.8 Å²	145.8	75%	0.749	77%	0.766	S	S	*	*			trans	50.4	105.7	150.4	-87.8	-37	0	0	0	120.8
248	R	32.4	Very low	34.4	Very low	243 Å²	243	143.5 Å²	143.5	92%	0.917	76%	0.759	S	S	*	*				170.2	148.3	94.9	-101.2	170.3	-180	-173.6	-0.7	116.2
249	E	31.4	Very low	34.7	Very low	175 Å²	175	139.3 Å²	139.3	82%	0.818	76%	0.757	S	S	*	*			trans	-90.8	-178.7	160.2	-110.1	-163.8	166.4	0	0	110.8
250	P	57.3	Low	34.8	Very low	88 Å²	88	145.6 Å²	145.6	57%	0.571	76%	0.759	S	S	*	*			cis	-135.5	-156.6	-23.3	27.8	-3.3	0	0	0	112.7
251	L	30.6	Very low	35.3	Very low	149 Å²	149	144.9 Å²	144.9	78%	0.78	76%	0.759	S	S	*	*			trans	80.2	152.8	160.4	-46.4	177.7	0	0	0	117.8
252	T	31.1	Very low	35.4	Very low	108 Å²	108	143.9 Å²	143.9	66%	0.663	75%	0.754	S	S	*	*			cis	-166.8	152.2	-13.2	22.3	0	0	0	0	112.6
253	N	31.9	Very low	35.8	Very low	164 Å²	164	144.9 Å²	144.9	88%	0.877	76%	0.759	S	S	*	*			trans	49.4	144.1	143.2	-64.7	-3.8	0	0	0	125.3
254	G	32.5	Very low	36	Very low	76 Å²	76	143.4 Å²	143.4	78%	0.784	76%	0.762	S	S	*	*			trans	117.5	111.8	155.8	0	0	0	0	0	114.1
255	H	34.6	Very low	36.7	Very low	162 Å²	162	142.7 Å²	142.7	75%	0.75	76%	0.763	S	S	*	*			cis	101.8	157.7	25.7	-163.3	63.4	0	0	0	114.5
256	Y	35.4	Very low	37.3	Very low	210 Å²	210	144.5 Å²	144.5	82%	0.824	77%	0.771	S	S	*	*			trans	93.9	101.3	-160.8	-74.3	-89.8	0	0	0	113.4
257	T	36.4	Very low	38.4	Very low	97 Å²	97	146.8 Å²	146.8	60%	0.595	78%	0.775	S	S	*	*				70.4	140.6	57.6	70.4	0	0	0	0	115.1
258	D	35.6	Very low	39.3	Very low	136 Å²	136	145.4 Å²	145.4	73%	0.727	78%	0.777	S	S	*	*			cis	-172.6	173.7	-18	-175.4	25.5	0	0	0	108.8
259	T	36.9	Very low	40.2	Very low	120 Å²	120	139.4 Å²	139.4	74%	0.736	76%	0.763	S	S	*	*			trans	75.2	154	169.1	81.4	0	0	0	0	116.2
260	R	33.5	Very low	40.9	Very low	231 Å²	231	135.7 Å²	135.7	87%	0.872	76%	0.756	S	S	*	*			cis	-146.9	154	13.4	-172	171.6	170.1	165.8	-2.6	112.8
261	T	43.2	Very low	40.9	Very low	109 Å²	109	139.7 Å²	139.7	67%	0.669	77%	0.767	S	S	*	*			trans	-90.5	153.7	176.3	56.7	0	0	0	0	113.8
262	N	39.2	Very low	41.9	Very low	151 Å²	151	138.3 Å²	138.3	81%	0.807	77%	0.765	S	S	*	*				177.8	158	113.4	-92.2	13.3	0	0	0	113.2
263	Q	43.3	Very low	42.4	Very low	186 Å²	186	142.9 Å²	142.9	87%	0.869	77%	0.771	S	S	*	*			trans	-86.3	161.2	169.9	-60	153.4	-48.7	0	0	110.7
264	V	39.8	Very low	43.1	Very low	143 Å²	143	139.7 Å²	139.7	87%	0.867	76%	0.761	S	S	*	*				-174.3	154.1	122.1	142.9	0	0	0	0	109.8
265	T	46.8	Very low	43.9	Very low	131 Å²	131	143.3 Å²	143.3	80%	0.804	76%	0.762	S	S	*	*			trans	-75.7	147.7	178.7	50	0	0	0	0	113.6
266	S	45.1	Very low	44.9	Very low	119 Å²	119	140.4 Å²	140.4	83%	0.832	76%	0.76	S	S	*	*			trans	-145.6	137.9	138.6	-164.4	0	0	0	0	110
267	D	57.3	Low	45.4	Very low	144 Å²	144	136.5 Å²	136.5	77%	0.77	76%	0.758	S	S	*	*			trans	-70.5	150.1	160.6	-169.3	-1.1	0	0	0	109.6
268	S	51.1	Low	45.9	Very low	111 Å²	111	139 Å²	139	78%	0.776	77%	0.767	S	S	*	*			trans	-171.9	86.5	161.5	-173.3	0	0	0	0	108.9
269	D	51.9	Low	46.5	Very low	117 Å²	117	140.2 Å²	140.2	63%	0.626	77%	0.769	S	S	*	*			trans	-40.8	139.7	157.1	166.9	36.3	0	0	0	112.8	E271	D269-E271 VanDerWaalsContact OD1-CG 3.3Å; D269-E271 WeakPolarHBondContact OD1-CG 3.44Å; D269-E271 PolarHBondContact OD1-N 2.84Å
270	S	45	Very low	46.6	Very low	97 Å²	97	144 Å²	144	68%	0.678	78%	0.776	S	S	*	*			trans	-158.7	82.3	152.9	69.4	0	0	0	0	109.8	V272	S270-V272 PolarHBondContact O-N 2.8Å; S270-V272 VanDerWaalsContact O-N 3.16Å
271	E	56.9	Low	47	Very low	172 Å²	172	136.6 Å²	136.6	80%	0.804	77%	0.771	S	S	*	*			trans	-61.3	113.6	178.2	-55.1	-160.7	-145.7	0	0	112.7	D269	D269-E271 VanDerWaalsContact OD1-CG 3.3Å; D269-E271 WeakPolarHBondContact OD1-CG 3.44Å; D269-E271 PolarHBondContact OD1-N 2.84Å
272	V	51.5	Low	46.7	Very low	121 Å²	121	140.5 Å²	140.5	73%	0.733	78%	0.782	S	S	*	*			trans	-135.1	67.2	166.9	-165.3	0	0	0	0	108.8	S270 C274	S270-V272 PolarHBondContact O-N 2.8Å; S270-V272 VanDerWaalsContact O-N 3.16Å; V272-C274 PolarHBondContact O-N 2.81Å; V272-C274 VanDerWaalsContact O-N 3.09Å
273	Y	42.9	Very low	46.6	Very low	203 Å²	203	140.1 Å²	140.1	80%	0.796	78%	0.775	S	S	*	*			trans	-68.3	107.3	175.3	-156.1	-87.3	0	0	0	109.1	D275	Y273-D275 PolarHBondContact O-N 3.43Å; Y273-D275 VanDerWaalsContact O-N 3.08Å
274	C	46.6	Very low	46.5	Very low	98 Å²	98	139.8 Å²	139.8	66%	0.662	77%	0.774	S	S	*	*			trans	-72.8	103	177.1	-69.3	0	0	0	0	109.4	V272 S276	V272-C274 PolarHBondContact O-N 2.81Å; V272-C274 VanDerWaalsContact O-N 3.09Å; C274-S276 PolarHBondContact O-N 2.95Å
275	D	48.8	Very low	46.1	Very low	151 Å²	151	139.3 Å²	139.3	81%	0.807	77%	0.766	S	S	*	*			trans	-53	104.1	167.2	178.1	21.5	0	0	0	110.4	Y273	Y273-D275 PolarHBondContact O-N 3.43Å; Y273-D275 VanDerWaalsContact O-N 3.08Å
276	S	55.8	Low	45.5	Very low	101 Å²	101	138.1 Å²	138.1	71%	0.706	76%	0.763	S	S	*	*			trans	-170.3	50.7	-177.2	-76.5	0	0	0	0	111.4	C274	C274-S276 PolarHBondContact O-N 2.95Å
277	V	45.5	Very low	45	Very low	128 Å²	128	137.1 Å²	137.1	78%	0.776	75%	0.746	S	S	*	*			trans	-114.1	43.4	170.2	-163.1	0	0	0	0	110.7
278	D	47.7	Very low	44	Very low	149 Å²	149	138 Å²	138	80%	0.797	75%	0.745	S	S	*	*			trans	-124.6	62.8	177.2	-158.7	-18.7	0	0	0	110.7
279	Q	47.5	Very low	43.2	Very low	163 Å²	163	139.5 Å²	139.5	76%	0.762	75%	0.745	S	S	*	*			trans	-151.4	34.6	-178.4	-156.2	75.5	105.4	0	0	114.4
280	F	39.2	Very low	42.5	Very low	199 Å²	199	145.3 Å²	145.3	87%	0.873	76%	0.758	S	S	*	*	S	Bend	trans	-136.3	68.7	169.2	-93.8	-70.2	0	0	0	112.5
281	G	41.8	Very low	42.1	Very low	76 Å²	76	146.5 Å²	146.5	78%	0.784	77%	0.766	S	S	*	*	S	Bend	trans	-149.6	-0.9	176	0	0	0	0	0	116.4
282	Q	37.8	Very low	41	Very low	191 Å²	191	146.1 Å²	146.1	89%	0.893	77%	0.769	S	S	*	*	S	Bend	trans	-139.2	66.6	-170.2	-65.1	-172.2	44.4	0	0	114.1
283	E	35.3	Very low	40.3	Very low	142 Å²	142	148.4 Å²	148.4	66%	0.664	78%	0.776	S	S	*	*	S	Bend	trans	-143.5	-30.2	159.6	40.3	-173.2	154.9	0	0	116.2	N285	E283-N285 PolarHBondContact O-N 3.3Å
284	E	41.7	Very low	40.1	Very low	180 Å²	180	145.8 Å²	145.8	84%	0.841	78%	0.776	S	S	*	*	G	3₁₀ helix	trans	-76.6	-19.6	-173.8	-60.8	-145.4	124.7	0	0	116	S286	E284-S286 PolarHBondContact O-N 3.39Å
285	N	31.5	Very low	39.8	Very low	132 Å²	132	148.5 Å²	148.5	71%	0.706	78%	0.784	S	S	*	*	G	3₁₀ helix	trans	-72.8	-0.1	-177	-152.2	7.2	0	0	0	114.2	E283	E283-N285 PolarHBondContact O-N 3.3Å
286	S	34.8	Very low	39.1	Very low	107 Å²	107	150.3 Å²	150.3	75%	0.748	79%	0.787	S	S	*	*	G	3₁₀ helix	trans	-89.3	-12.3	-174.9	-56.8	0	0	0	0	114.7	E284	E284-S286 PolarHBondContact O-N 3.39Å
287	E	33.7	Very low	38.2	Very low	98 Å²	98	154.8 Å²	154.8	46%	0.458	80%	0.797	S	S	.	*	S	Bend	trans	-101	-6	-168.7	-66.5	-140.9	134.7	0	0	115.9	K456 R460	E287-K456 IonicContact OE2-NZ 2.7Å; E287-R460 IonicContact OE1-CZ 2.61Å; E287-R460 IonicContact OE1-NH1 2.78Å; E287-R460 PolarHBondContact OE1-NH1 3.34Å; E287-R460 IonicContact OE1-NH2 2.7Å; E287-R460 IonicContact OE2-CZ 2.72Å; E287-R460 VanDerWaalsContact OE2-CZ 3.23Å; E287-R460 IonicContact OE2-NH1 2.62Å; E287-R460 PolarHBondContact OE2-NH1 3.42Å; E287-R460 IonicContact OE2-NH2 2.88Å; E287-R460 PolarHBondContact OE2-NH2 3.35Å
288	Q	36.7	Very low	37.7	Very low	162 Å²	162	158.4 Å²	158.4	76%	0.757	81%	0.805	S	S	*	*	S	Bend	trans	-93.9	-15.9	-172.7	-130.3	81.8	16	0	0	114.9	R290	Q288-R290 PolarHBondContact O-N 2.8Å
289	N	33.9	Very low	37	Very low	143 Å²	143	158.3 Å²	158.3	77%	0.765	81%	0.805	S	S	*	*	S	Bend	trans	-99.3	51.9	-172.5	-75.1	-54.7	0	0	0	113.9
290	R	38.2	Very low	36.2	Very low	239 Å²	239	155.4 Å²	155.4	90%	0.902	80%	0.802	S	S	*	*	S	Bend	trans	-148.2	147	160.7	-81.9	-164.4	163.9	83.7	2.6	109.7	Q288	Q288-R290 PolarHBondContact O-N 2.8Å
291	S	35.7	Very low	35.6	Very low	121 Å²	121	155 Å²	155	85%	0.846	80%	0.803	S	S	*	*	S	Bend	trans	78	63.8	-179	-171.5	0	0	0	0	116.4
292	L	35.3	Very low	34.7	Very low	165 Å²	165	159.9 Å²	159.9	86%	0.864	80%	0.803	S	S	*	*			trans	-148.5	47	142.8	-139.3	168.3	0	0	0	111.6
293	D	36.1	Very low	34.4	Very low	168 Å²	168	158.6 Å²	158.6	90%	0.898	80%	0.801	S	S	*	*			trans	-125.3	77.8	168.2	-73.2	-68.4	0	0	0	107.8
294	D	38.7	Very low	34.1	Very low	148 Å²	148	160.8 Å²	160.8	79%	0.791	81%	0.812	S	S	*	*			trans	-161.5	120.8	159	-155.7	-13.1	0	0	0	109.5
295	L	40.1	Very low	33.5	Very low	156 Å²	156	160.8 Å²	160.8	82%	0.817	81%	0.812	S	S	*	*	S	Bend	trans	139.9	136.8	160.8	-78.7	174.4	0	0	0	112.7
296	E	34.8	Very low	33.6	Very low	189 Å²	189	160.8 Å²	160.8	88%	0.883	81%	0.811	S	S	*	*			trans	76.1	57.1	169	-60.8	-178.8	-165.5	0	0	118.4
297	E	36.9	Very low	33.5	Very low	195 Å²	195	165.1 Å²	165.1	91%	0.911	82%	0.82	S	S	*	*			trans	-112	108	136.6	-79	-169.6	163.2	0	0	109.8
298	E	33.8	Very low	33.2	Very low	203 Å²	203	167.1 Å²	167.1	95%	0.949	83%	0.833	S	S	*	*			trans	-129.7	117.5	150.7	-82.8	-154.5	137.8	0	0	108
299	D	32.7	Very low	32.7	Very low	147 Å²	147	166.6 Å²	166.6	79%	0.786	84%	0.835	S	S	*	*			trans	-94.6	159.6	-171.8	-161.5	-0.9	0	0	0	112.8
300	S	30.8	Very low	33.4	Very low	102 Å²	102	164.2 Å²	164.2	71%	0.713	83%	0.827	S	S	*	*			trans	-58	119.2	-174.2	53.1	0	0	0	0	115.8	F302	S300-F302 PolarHBondContact O-N 3.48Å
301	H	27.7	Very low	33	Very low	191 Å²	191	161.6 Å²	161.6	88%	0.884	83%	0.825	S	S	*	*			trans	-90.9	83.9	174.7	-114.9	-67.9	0	0	0	113.5
302	F	23.8	Very low	32.5	Very low	179 Å²	179	160.1 Å²	160.1	79%	0.785	82%	0.821	S	S	*	*			trans	-2.1	115.8	149.8	-159.4	-85.8	0	0	0	118.6	S300	S300-F302 PolarHBondContact O-N 3.48Å
303	L	30.5	Very low	32.4	Very low	163 Å²	163	157 Å²	157	85%	0.853	82%	0.818	S	S	*	*			trans	-154.3	120.2	152.7	-79.7	-173.6	0	0	0	111.1
304	E	29.1	Very low	32.1	Very low	189 Å²	189	159.5 Å²	159.5	88%	0.883	82%	0.815	S	S	*	*				174	154.4	117.9	-93.5	-171.9	160.3	0	0	110.8
305	E	29.8	Very low	31.7	Very low	180 Å²	180	161.9 Å²	161.9	84%	0.841	81%	0.813	S	S	*	*			trans	-139.3	163.7	-171.1	-171.3	167.8	-170.5	0	0	110.4
306	D	32.2	Very low	31.2	Very low	131 Å²	131	163 Å²	163	70%	0.701	81%	0.807	S	S	*	*			trans	63.8	111.3	173.8	-76	-26	0	0	0	120.7
307	Q	32.8	Very low	31.1	Very low	199 Å²	199	162 Å²	162	93%	0.93	80%	0.795	S	S	*	*				-166	163.4	108	-104.8	151.9	102.4	0	0	115.4
308	D	28.2	Very low	31.1	Very low	139 Å²	139	158.6 Å²	158.6	74%	0.743	78%	0.779	S	S	*	*			trans	-83.5	144.8	-161.2	-91.5	-67.1	0	0	0	117.9
309	L	27	Very low	30.9	Very low	151 Å²	151	156.9 Å²	156.9	79%	0.791	77%	0.771	S	S	*	*				36.9	165.7	129.7	-100.7	66.3	0	0	0	122.8
310	P	47.6	Very low	30.9	Very low	93 Å²	93	160.2 Å²	160.2	60%	0.604	77%	0.773	S	S	*	*			cis	-140.8	170.5	-8.9	39	-20	0	0	0	118.1
311	Q	29.2	Very low	31	Very low	184 Å²	184	161.8 Å²	161.8	86%	0.86	77%	0.769	S	S	*	*			trans	84.6	123.5	136.5	-91.4	176.4	74.7	0	0	125.3
312	A	26.6	Very low	31.2	Very low	91 Å²	91	159.2 Å²	159.2	75%	0.752	77%	0.766	S	S	*	*				87.4	97.6	123.8	0	0	0	0	0	123.5
313	A	32.5	Very low	31.4	Very low	98 Å²	98	154.4 Å²	154.4	81%	0.81	77%	0.767	S	S	*	*				176.3	90.9	128.9	0	0	0	0	0	110.3
314	R	30	Very low	31.3	Very low	222 Å²	222	149.8 Å²	149.8	84%	0.838	76%	0.759	S	S	*	*				61	119.5	72.1	-136.7	-176.4	-166.5	-170.8	4.9	115.1
315	R	28.9	Very low	31.4	Very low	198 Å²	198	147.8 Å²	147.8	75%	0.747	76%	0.76	S	S	*	*			trans	84	149.5	166.1	-61.2	-175.1	-167.1	-108.3	6.4	116.6
316	R	30	Very low	31.3	Very low	180 Å²	180	143.6 Å²	143.6	68%	0.679	76%	0.756	S	S	*	*			cis	-174.9	117.2	-13.7	168.5	173.7	-163.4	-148	3.9	112.6
317	R	33.7	Very low	31.4	Very low	167 Å²	167	142.6 Å²	142.6	63%	0.63	76%	0.76	S	S	*	*				72.9	129.3	127.8	-171.7	-173.8	-175.4	-109.1	-8.6	121.4
318	E	35.6	Very low	31.4	Very low	123 Å²	123	140.6 Å²	140.6	58%	0.575	75%	0.754	S	S	*	*			trans	68.2	149.5	146.8	-77.2	164.9	-152.5	0	0	118.6
319	E	31.1	Very low	31.4	Very low	168 Å²	168	145.5 Å²	145.5	79%	0.785	76%	0.762	S	S	*	*			cis	-135.1	167.9	-7.3	-54.3	-168.5	115.7	0	0	107.3
320	R	32.6	Very low	31.5	Very low	217 Å²	217	145.2 Å²	145.2	82%	0.819	76%	0.761	S	S	*	*				50	137.9	55.3	-96.1	178.7	161.1	146.6	4.2	113.6
321	E	33.2	Very low	30.6	Very low	135 Å²	135	146.2 Å²	146.2	63%	0.631	76%	0.761	S	S	*	*			cis	-162.5	171.9	10.4	-154.6	150.7	-125.3	0	0	111.9
322	T	31.5	Very low	30.5	Very low	136 Å²	136	146.8 Å²	146.8	83%	0.834	76%	0.755	S	S	*	*			trans	67.7	155.5	173.8	72.5	0	0	0	0	117.2
323	G	27.8	Very low	30.7	Very low	78 Å²	78	153.1 Å²	153.1	80%	0.804	76%	0.76	S	S	*	*			cis	109.1	125.1	3.5	0	0	0	0	0	112.9
324	G	28.1	Very low	30.5	Very low	66 Å²	66	152 Å²	152	68%	0.68	76%	0.759	S	S	*	*			cis	174.2	-176.2	-5.2	0	0	0	0	0	112
325	T	30.7	Very low	30.4	Very low	148 Å²	148	151 Å²	151	91%	0.908	76%	0.755	S	S	*	*			trans	82.7	142.9	165	76	0	0	0	0	123.1
326	A	29.2	Very low	30.4	Very low	92 Å²	92	148.1 Å²	148.1	76%	0.76	75%	0.75	S	S	*	*			trans	75.9	96.1	139.9	0	0	0	0	0	125.5
327	S	32.4	Very low	30.5	Very low	110 Å²	110	147.4 Å²	147.4	77%	0.769	75%	0.754	S	S	*	*				49.1	126.2	120.7	-86.4	0	0	0	0	126.5
328	L	33.2	Very low	30.5	Very low	157 Å²	157	146.8 Å²	146.8	82%	0.822	76%	0.763	S	S	*	*			trans	66.7	110.4	131.3	-69.2	170.8	0	0	0	123.2
329	R	28.1	Very low	30.1	Very low	242 Å²	242	143.6 Å²	143.6	91%	0.913	76%	0.764	S	S	*	*			trans	161.6	169.6	135.3	-92.6	163.2	178.5	142.8	-0.6	110.3
330	L	29.2	Very low	30.1	Very low	144 Å²	144	144.6 Å²	144.6	75%	0.754	77%	0.768	S	S	*	*			cis	169.1	117.2	-36.9	170.2	75.8	0	0	0	108.1
331	D	29.8	Very low	29.9	Very low	115 Å²	115	139.9 Å²	139.9	62%	0.615	77%	0.768	S	S	*	*			trans	-171.4	137	159.1	-161.7	7.2	0	0	0	110.4	W333	D331-W333 VanDerWaalsContact CG-NE1 3.33Å; D331-W333 PolarHBondContact OD1-NE1 3.27Å; D331-W333 PolarHBondContact OD2-NE1 3.49Å
332	R	26.7	Very low	29.7	Very low	195 Å²	195	136.6 Å²	136.6	74%	0.736	77%	0.77	S	S	*	*			cis	113.1	45	-10.4	-151.1	-148.9	142.1	-81.9	8.1	119.9
333	W	30	Very low	29.7	Very low	224 Å²	224	135.3 Å²	135.3	85%	0.848	77%	0.767	S	S	*	*			trans	-115.7	152.7	157.8	-54.4	76.1	0	0	0	108.8	D331	D331-W333 VanDerWaalsContact CG-NE1 3.33Å; D331-W333 PolarHBondContact OD1-NE1 3.27Å; D331-W333 PolarHBondContact OD2-NE1 3.49Å
334	G	28	Very low	29.8	Very low	76 Å²	76	142.5 Å²	142.5	78%	0.784	77%	0.77	S	S	*	*			cis	106.9	136.8	18.4	0	0	0	0	0	110.4
335	R	29	Very low	29.8	Very low	201 Å²	201	144.1 Å²	144.1	76%	0.758	77%	0.771	S	S	*	*			cis	-173.1	165.9	-3.5	137.7	-173.9	-89.6	-100	-0.6	107.8
336	E	27.8	Very low	29.8	Very low	137 Å²	137	145.4 Å²	145.4	64%	0.64	77%	0.771	S	S	*	*			trans	65.8	166.6	165.3	-79	148	-175.4	0	0	118.9
337	E	33.7	Very low	29.9	Very low	164 Å²	164	145.1 Å²	145.1	77%	0.766	77%	0.769	S	S	*	*				-167.2	163.9	-51.4	-126	169.9	-172	0	0	110.7
338	D	32	Very low	30.3	Very low	155 Å²	155	145.8 Å²	145.8	83%	0.829	77%	0.771	S	S	*	*			trans	57	157.9	169.7	-77.3	-35.3	0	0	0	120.5
339	G	27.9	Very low	30.1	Very low	56 Å²	56	141.9 Å²	141.9	58%	0.577	77%	0.768	S	S	*	*			cis	161.9	175.7	-6.1	0	0	0	0	0	113.1
340	H	30.2	Very low	30.2	Very low	189 Å²	189	134.8 Å²	134.8	88%	0.875	76%	0.756	S	S	*	*			trans	104.6	123.5	166.4	-59.6	85.3	0	0	0	121.6
341	S	30.1	Very low	30.4	Very low	118 Å²	118	136 Å²	136	83%	0.825	76%	0.758	S	S	*	*			trans	45.5	140.1	134.7	-155.1	0	0	0	0	122.4
342	G	28.3	Very low	30.5	Very low	66 Å²	66	136.9 Å²	136.9	68%	0.68	76%	0.761	S	S	*	*			cis	140.4	153.2	-3.3	0	0	0	0	0	114.5
343	S	31.6	Very low	30.8	Very low	109 Å²	109	135.1 Å²	135.1	76%	0.762	76%	0.761	S	S	*	*			trans	104.9	113.5	162.1	-51.5	0	0	0	0	121.4
344	R	29.9	Very low	30.8	Very low	228 Å²	228	135.1 Å²	135.1	86%	0.86	76%	0.761	S	S	*	*				69.2	108.1	121.2	-69.6	179.9	159	-160.9	-6.4	123.5
345	S	28.6	Very low	31.2	Very low	100 Å²	100	137.1 Å²	137.1	70%	0.699	76%	0.763	S	S	*	*				80.1	134.6	106.7	-58.5	0	0	0	0	123.6
346	L	29.8	Very low	31.5	Very low	175 Å²	175	131.4 Å²	131.4	92%	0.916	77%	0.766	S	S	*	*			trans	82.6	141.7	147	-70.2	162	0	0	0	120.6
347	A	30.7	Very low	31.8	Very low	87 Å²	87	133 Å²	133	72%	0.719	78%	0.779	S	S	*	*			trans	-94.6	-164.9	167.8	0	0	0	0	0	108.9
348	P	41.8	Very low	31.9	Very low	124 Å²	124	128.3 Å²	128.3	81%	0.805	78%	0.775	S	S	*	*			cis	-144.6	176.8	20.5	44.1	-24.4	0	0	0	118.4
349	G	28.2	Very low	32.7	Very low	74 Å²	74	126.6 Å²	126.6	76%	0.763	77%	0.773	S	S	*	*			trans	86.3	165.1	153.7	0	0	0	0	0	116.9
350	S	31.7	Very low	33.2	Very low	94 Å²	94	132.8 Å²	132.8	66%	0.657	79%	0.787	S	S	*	*			cis	-166.1	171.3	-7.4	58.7	0	0	0	0	111.3
351	Q	32.7	Very low	33.8	Very low	170 Å²	170	129.1 Å²	129.1	79%	0.794	78%	0.779	S	S	*	*			trans	74.9	159.3	163.6	-61.6	163.6	75.9	0	0	118.6
352	L	32.2	Very low	34.5	Very low	132 Å²	132	132.6 Å²	132.6	69%	0.691	78%	0.783	S	S	*	*			cis	-171.9	163.9	-37.6	-164	56.5	0	0	0	108.4
353	H	33.2	Very low	34.8	Very low	158 Å²	158	137.6 Å²	137.6	73%	0.731	79%	0.788	S	S	*	*			trans	71.3	150.2	171.1	-63	-70.2	0	0	0	116.9
354	R	30	Very low	35.3	Very low	225 Å²	225	137.6 Å²	137.6	85%	0.849	79%	0.786	S	S	*	*			cis	-150.6	153.5	-8.3	147.9	-180	-84.1	-167.9	-4.4	109.5
355	S	35.8	Very low	36.1	Very low	117 Å²	117	133.1 Å²	133.1	82%	0.818	78%	0.783	S	S	*	*			trans	-62	152	-177	-31.5	0	0	0	0	116.3
356	G	35.6	Very low	36.9	Very low	81 Å²	81	133.2 Å²	133.2	84%	0.835	78%	0.782	S	S	*	*			trans	-130	151	148.8	0	0	0	0	0	108
357	D	34	Very low	38	Very low	171 Å²	171	130.7 Å²	130.7	91%	0.914	78%	0.775	S	S	*	*			trans	-128.8	152.3	-163.3	-162.4	-1.6	0	0	0	111.6
358	G	35	Very low	39.2	Very low	66 Å²	66	138.7 Å²	138.7	68%	0.68	79%	0.787	S	S	*	*			trans	149.9	114	-177	0	0	0	0	0	114.6
359	P	50.2	Low	39.8	Very low	119 Å²	119	133.9 Å²	133.9	77%	0.773	76%	0.76	S	S	*	*			trans	-105.8	174.6	-177.9	39.7	-35.2	0	0	0	115.4
360	E	37	Very low	41.8	Very low	186 Å²	186	132.9 Å²	132.9	87%	0.869	74%	0.742	S	S	*	*			trans	71.2	154.2	169.8	-80.7	-157.8	102.3	0	0	120.1
361	P	43.6	Very low	44	Very low	111 Å²	111	134.2 Å²	134.2	72%	0.721	74%	0.741	S	S	*	*			cis	-112.2	169	-11.8	38	-27	0	0	0	113.3
362	E	45.1	Very low	46.1	Very low	192 Å²	192	131 Å²	131	90%	0.897	73%	0.729	S	S	*	*			trans	-82.3	143.2	170.8	-63.5	-172.8	128.5	0	0	111.9
363	E	34.8	Very low	48.3	Very low	171 Å²	171	130.1 Å²	130.1	80%	0.799	72%	0.721	S	S	*	*			trans	-131.9	145.5	159.7	-95.1	-76.6	127.7	0	0	107.4	V365	E363-V365 PolarHBondContact O-N 2.96Å
364	P	41.2	Very low	50.4	Low	109 Å²	109	129 Å²	129	71%	0.708	72%	0.716	S	S	*	*			trans	-78.4	118.8	-156.5	29.2	-34.4	0	0	0	113.4	P366	P364-P366 VanDerWaalsContact O-CD 3.29Å; P364-P366 WeakPolarHBondContact O-CD 3.35Å
365	V	46.8	Very low	52.8	Low	134 Å²	134	122.1 Å²	122.1	81%	0.812	70%	0.696	S	S	*	*			trans	-74.7	114.8	167.5	179.5	0	0	0	0	109	E363	E363-V365 PolarHBondContact O-N 2.96Å
366	P	46.3	Very low	55.2	Low	102 Å²	102	121.1 Å²	121.1	66%	0.662	68%	0.684	S	S	*	*			trans	-64.9	143.6	171.5	28.6	-34.1	0	0	0	109.5	P364	P364-P366 VanDerWaalsContact O-CD 3.29Å; P364-P366 WeakPolarHBondContact O-CD 3.35Å
367	P	52	Low	57.7	Low	121 Å²	121	120.4 Å²	120.4	79%	0.786	66%	0.664	S	S	*	*			trans	-60.8	147.1	-177.1	25.8	-34.4	0	0	0	111.1	G369	P367-G369 PolarHBondContact O-N 2.92Å
368	R	55	Low	60.1	Low	255 Å²	255	114.6 Å²	114.6	96%	0.962	64%	0.64	S	S	*	*			trans	-70.5	85.9	167.7	-78.2	-177.1	166.3	-169.2	-4.8	109.1
369	G	54.8	Low	62.4	Low	23 Å²	23	116.7 Å²	116.7	24%	0.237	63%	0.634	C	S	.	*			trans	-54.3	154.7	164.9	0	0	0	0	0	111.3	P367 E373	P367-G369 PolarHBondContact O-N 2.92Å; G369-E373 WeakPolarHBondContact CA-OE1 3.24Å; G369-E373 WeakPolarHBondContact CA-OE2 3.33Å
370	S	71.3	Confident	64	Low	54 Å²	54	113.5 Å²	113.5	38%	0.378	62%	0.618	S	S	.	*			trans	-60	163.5	-178.5	-164.5	0	0	0	0	112	D372 E373 Q374	S370-D372 VanDerWaalsContact CB-OD2 3.28Å; S370-D372 WeakPolarHBondContact CB-OD2 3.28Å; S370-D372 PolarHBondContact O-N 3.38Å; S370-D372 PolarHBondContact OG-OD2 3.05Å; S370-E373 PolarHBondContact N-OE1 2.88Å; S370-E373 WeakPolarHBondContact O-CB 3.43Å; S370-E373 PolarHBondContact O-N 3.38Å; S370-Q374 PolarHBondContact O-N 3.21Å
371	L	77.8	Confident	66.3	Low	121 Å²	121	112.5 Å²	112.5	63%	0.634	61%	0.607	S	S	*	*	H	α-helix	trans	-53.7	-35.1	166.5	-172.6	70.1	0	0	0	110.3	E373 Q374 I375	L371-E373 VanDerWaalsContact C-N 3.33Å; L371-E373 PolarHBondContact O-N 3.36Å; L371-Q374 PolarHBondContact O-N 3.2Å; L371-I375 HydrophobicContact CD2-CD1 4.36Å; L371-I375 HydrophobicContact CG-CD1 3.99Å; L371-I375 VanDerWaalsContact O-CG1 3.3Å; L371-I375 WeakPolarHBondContact O-CG1 3.27Å; L371-I375 PolarHBondContact O-N 3.24Å
372	D	75.9	Confident	68.6	Low	103 Å²	103	111.2 Å²	111.2	55%	0.551	60%	0.596	S	S	*	*	H	α-helix	trans	-61.5	-36.8	176.2	-41	-67.1	0	0	0	112.5	S370 I375 V376	S370-D372 VanDerWaalsContact CB-OD2 3.28Å; S370-D372 WeakPolarHBondContact CB-OD2 3.28Å; S370-D372 PolarHBondContact O-N 3.38Å; S370-D372 PolarHBondContact OG-OD2 3.05Å; D372-I375 PolarHBondContact O-N 3.44Å; D372-V376 WeakPolarHBondContact O-CB 3.19Å; D372-V376 VanDerWaalsContact O-CG2 3.29Å; D372-V376 WeakPolarHBondContact O-CG2 3.48Å; D372-V376 PolarHBondContact O-N 3.3Å
373	E	78.8	Confident	70.6	Confident	114 Å²	114	108 Å²	108	53%	0.533	58%	0.581	S	S	.	*	H	α-helix	trans	-70.6	-37.5	175.5	-69	168.2	-118.4	0	0	111.2	G369 S370 L371 I375 V376 V377	G369-E373 WeakPolarHBondContact CA-OE1 3.24Å; G369-E373 WeakPolarHBondContact CA-OE2 3.33Å; S370-E373 PolarHBondContact N-OE1 2.88Å; S370-E373 WeakPolarHBondContact O-CB 3.43Å; S370-E373 PolarHBondContact O-N 3.38Å; L371-E373 VanDerWaalsContact C-N 3.33Å; L371-E373 PolarHBondContact O-N 3.36Å; E373-I375 VanDerWaalsContact C-N 3.35Å; E373-V376 PolarHBondContact O-N 2.86Å; E373-V377 WeakPolarHBondContact O-CB 3.36Å; E373-V377 VanDerWaalsContact O-CG2 3.29Å; E373-V377 WeakPolarHBondContact O-CG2 3.29Å; E373-V377 PolarHBondContact O-N 3Å
374	Q	78.3	Confident	73.2	Confident	133 Å²	133	106.5 Å²	106.5	62%	0.621	57%	0.574	S	S	*	*	H	α-helix	trans	-67.4	-36.5	173.1	-64.2	-170.3	0.6	0	0	111.9	S370 L371 A378	S370-Q374 PolarHBondContact O-N 3.21Å; L371-Q374 PolarHBondContact O-N 3.2Å; Q374-A378 VanDerWaalsContact O-CB 3.24Å; Q374-A378 WeakPolarHBondContact O-CB 3.08Å; Q374-A378 PolarHBondContact O-N 3.06Å
375	I	78.9	Confident	75.7	Confident	82 Å²	82	106.6 Å²	106.6	42%	0.421	57%	0.569	S	S	.	*	H	α-helix	trans	-66.2	-46.6	173.4	-70.2	164.6	0	0	0	110.5	L371 D372 E373 V377 A378 L379	L371-I375 HydrophobicContact CD2-CD1 4.36Å; L371-I375 HydrophobicContact CG-CD1 3.99Å; L371-I375 VanDerWaalsContact O-CG1 3.3Å; L371-I375 WeakPolarHBondContact O-CG1 3.27Å; L371-I375 PolarHBondContact O-N 3.24Å; D372-I375 PolarHBondContact O-N 3.44Å; E373-I375 VanDerWaalsContact C-N 3.35Å; I375-V377 PolarHBondContact O-N 3.17Å; I375-A378 PolarHBondContact O-N 2.91Å; I375-L379 HydrophobicContact CG2-CD1 3.76Å; I375-L379 HydrophobicContact CG2-CG 4.25Å; I375-L379 WeakPolarHBondContact O-CB 3.3Å; I375-L379 VanDerWaalsContact O-CG 3.29Å; I375-L379 WeakPolarHBondContact O-CG 3.28Å; I375-L379 PolarHBondContact O-N 2.95Å
376	V	87.6	Confident	77.7	Confident	95 Å²	95	104.7 Å²	104.7	58%	0.576	55%	0.553	S	S	*	*	H	α-helix	trans	-61.3	-42.6	176.6	167	0	0	0	0	111.4	D372 E373 L379 A380	D372-V376 WeakPolarHBondContact O-CB 3.19Å; D372-V376 VanDerWaalsContact O-CG2 3.29Å; D372-V376 WeakPolarHBondContact O-CG2 3.48Å; D372-V376 PolarHBondContact O-N 3.3Å; E373-V376 PolarHBondContact O-N 2.86Å; V376-L379 PolarHBondContact O-N 3.46Å; V376-A380 VanDerWaalsContact O-CB 3.25Å; V376-A380 WeakPolarHBondContact O-CB 3.23Å; V376-A380 PolarHBondContact O-N 2.7Å
377	V	87.6	Confident	79.7	Confident	66 Å²	66	105.3 Å²	105.3	40%	0.4	55%	0.547	S	S	.	.	H	α-helix	trans	-69.1	-33	176.3	170.2	0	0	0	0	112.1	E373 I375 R381	E373-V377 WeakPolarHBondContact O-CB 3.36Å; E373-V377 VanDerWaalsContact O-CG2 3.29Å; E373-V377 WeakPolarHBondContact O-CG2 3.29Å; E373-V377 PolarHBondContact O-N 3Å; I375-V377 PolarHBondContact O-N 3.17Å; V377-R381 VanDerWaalsContact CG1-CZ 3.46Å; V377-R381 WeakPolarHBondContact O-CB 3.45Å; V377-R381 VanDerWaalsContact O-CG 3.29Å; V377-R381 WeakPolarHBondContact O-CG 3.42Å; V377-R381 PolarHBondContact O-N 2.9Å; V377-R381 VanDerWaalsContact O-N 3.11Å
378	A	83.8	Confident	81.4	Confident	50 Å²	50	102.6 Å²	102.6	41%	0.413	53%	0.531	S	S	.	.	H	α-helix	trans	-70.1	-43.7	173.5	0	0	0	0	0	112	Q374 I375 R381 V382	Q374-A378 VanDerWaalsContact O-CB 3.24Å; Q374-A378 WeakPolarHBondContact O-CB 3.08Å; Q374-A378 PolarHBondContact O-N 3.06Å; I375-A378 PolarHBondContact O-N 2.91Å; A378-R381 PolarHBondContact O-N 2.75Å; A378-V382 WeakPolarHBondContact O-CG2 3.38Å; A378-V382 PolarHBondContact O-N 2.86Å
379	L	84.6	Confident	83.2	Confident	109 Å²	109	94.3 Å²	94.3	57%	0.571	51%	0.509	S	S	*	.	H	α-helix	trans	-64.2	-43.4	175.8	-71.7	171.6	0	0	0	111.6	I375 V376 R381 V382 Q383	I375-L379 HydrophobicContact CG2-CD1 3.76Å; I375-L379 HydrophobicContact CG2-CG 4.25Å; I375-L379 WeakPolarHBondContact O-CB 3.3Å; I375-L379 VanDerWaalsContact O-CG 3.29Å; I375-L379 WeakPolarHBondContact O-CG 3.28Å; I375-L379 PolarHBondContact O-N 2.95Å; V376-L379 PolarHBondContact O-N 3.46Å; L379-R381 VanDerWaalsContact C-N 3.34Å; L379-R381 PolarHBondContact O-N 2.79Å; L379-V382 PolarHBondContact O-N 3.19Å; L379-Q383 VanDerWaalsContact O-CB 3.29Å; L379-Q383 WeakPolarHBondContact O-CB 3.29Å; L379-Q383 PolarHBondContact O-N 3.43Å
380	A	83.1	Confident	84.8	Confident	52 Å²	52	97.2 Å²	97.2	43%	0.43	52%	0.518	S	S	.	.	H	α-helix	trans	-59.3	-44.3	174.8	0	0	0	0	0	111.6	V376 Q383 E384	V376-A380 VanDerWaalsContact O-CB 3.25Å; V376-A380 WeakPolarHBondContact O-CB 3.23Å; V376-A380 PolarHBondContact O-N 2.7Å; A380-Q383 PolarHBondContact O-N 2.55Å; A380-E384 VanDerWaalsContact O-CB 3.31Å; A380-E384 WeakPolarHBondContact O-CB 3.39Å; A380-E384 PolarHBondContact O-N 3.48Å
381	R	84.8	Confident	85.7	Confident	166 Å²	166	100.9 Å²	100.9	63%	0.626	53%	0.529	S	S	*	.	H	α-helix	trans	-62.6	-45.5	174.5	-76.6	173	-176.9	147.2	5.1	112.7	V377 A378 L379 Q383 E384 D385	V377-R381 VanDerWaalsContact CG1-CZ 3.46Å; V377-R381 WeakPolarHBondContact O-CB 3.45Å; V377-R381 VanDerWaalsContact O-CG 3.29Å; V377-R381 WeakPolarHBondContact O-CG 3.42Å; V377-R381 PolarHBondContact O-N 2.9Å; V377-R381 VanDerWaalsContact O-N 3.11Å; A378-R381 PolarHBondContact O-N 2.75Å; L379-R381 VanDerWaalsContact C-N 3.34Å; L379-R381 PolarHBondContact O-N 2.79Å; R381-Q383 VanDerWaalsContact C-N 3.28Å; R381-Q383 PolarHBondContact O-N 2.93Å; R381-E384 PolarHBondContact O-N 3.19Å; R381-D385 VanDerWaalsContact O-CB 3.25Å; R381-D385 WeakPolarHBondContact O-CB 3.24Å; R381-D385 PolarHBondContact O-N 3.48Å
382	V	93	Very high	86.2	Confident	83 Å²	83	103.6 Å²	103.6	50%	0.503	53%	0.531	S	S	.	.	H	α-helix	trans	-63.3	-37.2	177.3	169.4	0	0	0	0	111.1	A378 L379 I386	A378-V382 WeakPolarHBondContact O-CG2 3.38Å; A378-V382 PolarHBondContact O-N 2.86Å; L379-V382 PolarHBondContact O-N 3.19Å; V382-I386 HydrophobicContact CG1-CD1 3.82Å; V382-I386 WeakPolarHBondContact O-CB 3.29Å; V382-I386 WeakPolarHBondContact O-CD1 3.47Å; V382-I386 WeakPolarHBondContact O-CG1 3.29Å; V382-I386 PolarHBondContact O-N 3.1Å
383	Q	85.7	Confident	86.7	Confident	125 Å²	125	103.7 Å²	103.7	58%	0.584	53%	0.53	S	S	*	.	H	α-helix	trans	-69.5	-38.2	176.8	-172.9	172.3	-5.3	0	0	112.5	L379 A380 R381 Q387	L379-Q383 VanDerWaalsContact O-CB 3.29Å; L379-Q383 WeakPolarHBondContact O-CB 3.29Å; L379-Q383 PolarHBondContact O-N 3.43Å; A380-Q383 PolarHBondContact O-N 2.55Å; R381-Q383 VanDerWaalsContact C-N 3.28Å; R381-Q383 PolarHBondContact O-N 2.93Å; Q383-Q387 WeakPolarHBondContact O-CG 3.44Å; Q383-Q387 PolarHBondContact O-N 3.11Å; Q383-Q387 VanDerWaalsContact O-N 3.08Å
384	E	90.4	Very high	86.9	Confident	140 Å²	140	106.2 Å²	106.2	65%	0.654	53%	0.534	S	S	*	.	H	α-helix	trans	-68.4	-40.8	173.6	-173.1	169.9	-144.8	0	0	111.8	A380 R381 Q387 S388	A380-E384 VanDerWaalsContact O-CB 3.31Å; A380-E384 WeakPolarHBondContact O-CB 3.39Å; A380-E384 PolarHBondContact O-N 3.48Å; R381-E384 PolarHBondContact O-N 3.19Å; E384-Q387 PolarHBondContact O-N 2.88Å; E384-S388 WeakPolarHBondContact O-CB 3.16Å; E384-S388 PolarHBondContact O-N 3Å
385	D	93.3	Very high	87.3	Confident	111 Å²	111	103.9 Å²	103.9	59%	0.594	53%	0.529	S	S	*	.	H	α-helix	trans	-67	-40.7	176.9	-155.4	37.8	0	0	0	111.2	R381 S388 V389	R381-D385 VanDerWaalsContact O-CB 3.25Å; R381-D385 WeakPolarHBondContact O-CB 3.24Å; R381-D385 PolarHBondContact O-N 3.48Å; D385-S388 WeakPolarHBondContact O-CB 3.21Å; D385-S388 PolarHBondContact O-N 3.08Å; D385-V389 WeakPolarHBondContact O-CG2 3.45Å; D385-V389 PolarHBondContact O-N 2.81Å
386	I	88.4	Confident	87.6	Confident	94 Å²	94	103.8 Å²	103.8	48%	0.482	53%	0.532	S	S	.	.	H	α-helix	trans	-62.4	-41.6	171.4	-72.1	165.8	0	0	0	111.3	V382 V389 L390	V382-I386 HydrophobicContact CG1-CD1 3.82Å; V382-I386 WeakPolarHBondContact O-CB 3.29Å; V382-I386 WeakPolarHBondContact O-CD1 3.47Å; V382-I386 WeakPolarHBondContact O-CG1 3.29Å; V382-I386 PolarHBondContact O-N 3.1Å; I386-V389 PolarHBondContact O-N 3.46Å; I386-L390 HydrophobicContact CG2-CD1 3.92Å; I386-L390 HydrophobicContact CG2-CG 4.44Å; I386-L390 WeakPolarHBondContact O-CB 3.32Å; I386-L390 VanDerWaalsContact O-CG 3.3Å; I386-L390 WeakPolarHBondContact O-CG 3.46Å; I386-L390 PolarHBondContact O-N 2.89Å
387	Q	89.6	Confident	87.4	Confident	115 Å²	115	103.1 Å²	103.1	54%	0.537	52%	0.523	S	S	.	.	H	α-helix	trans	-65.4	-40.7	175.3	-75.8	-175.5	-7.9	0	0	111.7	Q383 E384 V389 L390 E391	Q383-Q387 WeakPolarHBondContact O-CG 3.44Å; Q383-Q387 PolarHBondContact O-N 3.11Å; Q383-Q387 VanDerWaalsContact O-N 3.08Å; E384-Q387 PolarHBondContact O-N 2.88Å; Q387-V389 VanDerWaalsContact C-N 3.35Å; Q387-V389 PolarHBondContact O-N 3.21Å; Q387-L390 PolarHBondContact O-N 3.45Å; Q387-E391 WeakPolarHBondContact O-CG 3.23Å; Q387-E391 PolarHBondContact O-N 2.83Å
388	S	87.6	Confident	87	Confident	63 Å²	63	102.4 Å²	102.4	44%	0.441	52%	0.524	S	S	.	.	H	α-helix	trans	-60.9	-40.6	174	-171.6	0	0	0	0	112.7	E384 D385 R392	E384-S388 WeakPolarHBondContact O-CB 3.16Å; E384-S388 PolarHBondContact O-N 3Å; D385-S388 WeakPolarHBondContact O-CB 3.21Å; D385-S388 PolarHBondContact O-N 3.08Å; S388-R392 WeakPolarHBondContact O-CB 3.47Å; S388-R392 PolarHBondContact O-N 3.39Å
389	V	92.6	Very high	86.6	Confident	82 Å²	82	105.5 Å²	105.5	50%	0.497	53%	0.533	S	S	.	.	H	α-helix	trans	-66.9	-42.5	174.9	170.1	0	0	0	0	111.6	D385 I386 Q387 R392 M393	D385-V389 WeakPolarHBondContact O-CG2 3.45Å; D385-V389 PolarHBondContact O-N 2.81Å; I386-V389 PolarHBondContact O-N 3.46Å; Q387-V389 VanDerWaalsContact C-N 3.35Å; Q387-V389 PolarHBondContact O-N 3.21Å; V389-R392 PolarHBondContact O-N 3.45Å; V389-M393 WeakPolarHBondContact O-CB 3.34Å; V389-M393 PolarHBondContact O-N 3.22Å
390	L	88.4	Confident	86.1	Confident	84 Å²	84	100.9 Å²	100.9	44%	0.44	51%	0.509	S	S	.	.	H	α-helix	trans	-67	-36.7	177.4	-72	169.2	0	0	0	112.7	I386 Q387 R394	I386-L390 HydrophobicContact CG2-CD1 3.92Å; I386-L390 HydrophobicContact CG2-CG 4.44Å; I386-L390 WeakPolarHBondContact O-CB 3.32Å; I386-L390 VanDerWaalsContact O-CG 3.3Å; I386-L390 WeakPolarHBondContact O-CG 3.46Å; I386-L390 PolarHBondContact O-N 2.89Å; Q387-L390 PolarHBondContact O-N 3.45Å; L390-R394 WeakPolarHBondContact O-CG 3.26Å; L390-R394 PolarHBondContact O-N 3Å; L390-R394 VanDerWaalsContact O-N 3.11Å
391	E	89.9	Confident	85.3	Confident	131 Å²	131	99.8 Å²	99.8	61%	0.612	50%	0.497	S	S	*	.	H	α-helix	trans	-65.7	-43.2	171.2	-73.8	-174.7	167.8	0	0	111.2	Q387 R394 T395	Q387-E391 WeakPolarHBondContact O-CG 3.23Å; Q387-E391 PolarHBondContact O-N 2.83Å; E391-R394 PolarHBondContact O-N 2.82Å; E391-T395 WeakPolarHBondContact O-CG2 3.19Å; E391-T395 PolarHBondContact O-N 2.86Å; E391-T395 PolarHBondContact O-OG1 2.79Å
392	R	88.1	Confident	84.4	Confident	177 Å²	177	97 Å²	97	67%	0.668	50%	0.495	S	S	*	.	H	α-helix	trans	-61.8	-43.3	174.9	-100.2	-176.3	64.1	-160.6	-2.7	112.9	S388 V389 T395 V396	S388-R392 WeakPolarHBondContact O-CB 3.47Å; S388-R392 PolarHBondContact O-N 3.39Å; V389-R392 PolarHBondContact O-N 3.45Å; R392-T395 WeakPolarHBondContact CA-OG1 3.39Å; R392-T395 PolarHBondContact O-N 3.24Å; R392-T395 PolarHBondContact O-OG1 3.09Å; R392-V396 PolarHBondContact O-N 2.93Å
393	M	86.3	Confident	82.8	Confident	106 Å²	106	96.1 Å²	96.1	52%	0.522	49%	0.487	S	S	.	.	H	α-helix	trans	-59.7	-48.2	178.2	-176.8	156.4	174.2	0	0	110.4	V389 T395 V396 E397	V389-M393 WeakPolarHBondContact O-CB 3.34Å; V389-M393 PolarHBondContact O-N 3.22Å; M393-T395 VanDerWaalsContact C-N 3.32Å; M393-T395 PolarHBondContact O-N 3.02Å; M393-V396 WeakPolarHBondContact O-CA 3.25Å; M393-V396 WeakPolarHBondContact O-CB 3.29Å; M393-V396 PolarHBondContact O-N 2.85Å; M393-E397 WeakPolarHBondContact CE-OE1 3.29Å; M393-E397 VanDerWaalsContact CG-OE1 3.24Å; M393-E397 WeakPolarHBondContact CG-OE1 3.39Å; M393-E397 WeakPolarHBondContact O-CG 3.25Å; M393-E397 PolarHBondContact O-N 2.93Å
394	R	82.9	Confident	81.3	Confident	166 Å²	166	91.5 Å²	91.5	63%	0.626	47%	0.47	S	S	*	.	H	α-helix	trans	-60.5	-34	173.1	-72.5	171.4	176.7	157.9	-1.4	114.4	L390 E391 E397 A398	L390-R394 WeakPolarHBondContact O-CG 3.26Å; L390-R394 PolarHBondContact O-N 3Å; L390-R394 VanDerWaalsContact O-N 3.11Å; E391-R394 PolarHBondContact O-N 2.82Å; R394-E397 VanDerWaalsContact CA-OE2 3.27Å; R394-E397 WeakPolarHBondContact CA-OE2 3.34Å; R394-A398 WeakPolarHBondContact O-CB 3.41Å; R394-A398 PolarHBondContact O-N 3.46Å
395	T	86.1	Confident	79.8	Confident	84 Å²	84	93 Å²	93	52%	0.515	47%	0.47	S	S	.	.	H	α-helix	trans	-73.5	-27.6	174	55.7	0	0	0	0	113.4	E391 R392 M393 L399	E391-T395 WeakPolarHBondContact O-CG2 3.19Å; E391-T395 PolarHBondContact O-N 2.86Å; E391-T395 PolarHBondContact O-OG1 2.79Å; R392-T395 WeakPolarHBondContact CA-OG1 3.39Å; R392-T395 PolarHBondContact O-N 3.24Å; R392-T395 PolarHBondContact O-OG1 3.09Å; M393-T395 VanDerWaalsContact C-N 3.32Å; M393-T395 PolarHBondContact O-N 3.02Å; T395-L399 WeakPolarHBondContact O-CG 3.44Å; T395-L399 PolarHBondContact O-N 3.35Å
396	V	86.6	Confident	77.7	Confident	81 Å²	81	91.6 Å²	91.6	49%	0.491	47%	0.469	S	S	.	.	H	α-helix	trans	-68.1	-62.3	168.7	174.3	0	0	0	0	107.9	R392 M393 A398 L399 T400	R392-V396 PolarHBondContact O-N 2.93Å; M393-V396 WeakPolarHBondContact O-CA 3.25Å; M393-V396 WeakPolarHBondContact O-CB 3.29Å; M393-V396 PolarHBondContact O-N 2.85Å; V396-A398 PolarHBondContact O-N 3.33Å; V396-L399 WeakPolarHBondContact O-CA 3.29Å; V396-L399 WeakPolarHBondContact O-CB 3.48Å; V396-L399 PolarHBondContact O-N 3.42Å; V396-T400 WeakPolarHBondContact CG1-OG1 3.3Å; V396-T400 WeakPolarHBondContact O-CB 3.07Å; V396-T400 PolarHBondContact O-N 3.28Å; V396-T400 PolarHBondContact O-OG1 3.11Å
397	E	83.4	Confident	76	Confident	80 Å²	80	92 Å²	92	37%	0.374	48%	0.475	S	S	.	.	H	α-helix	trans	-45	-36.4	177.7	-66.8	160.4	171.8	0	0	113.5	M393 R394 T401	M393-E397 WeakPolarHBondContact CE-OE1 3.29Å; M393-E397 VanDerWaalsContact CG-OE1 3.24Å; M393-E397 WeakPolarHBondContact CG-OE1 3.39Å; M393-E397 WeakPolarHBondContact O-CG 3.25Å; M393-E397 PolarHBondContact O-N 2.93Å; R394-E397 VanDerWaalsContact CA-OE2 3.27Å; R394-E397 WeakPolarHBondContact CA-OE2 3.34Å; E397-T401 WeakPolarHBondContact O-CB 3.2Å; E397-T401 WeakPolarHBondContact O-CG2 3.37Å; E397-T401 PolarHBondContact O-N 2.86Å; E397-T401 PolarHBondContact O-OG1 3.33Å
398	A	79.2	Confident	73.9	Confident	52 Å²	52	91.3 Å²	91.3	43%	0.43	48%	0.48	S	S	.	.	H	α-helix	trans	-76.7	-33.2	176.3	0	0	0	0	0	115.4	R394 V396 N402	R394-A398 WeakPolarHBondContact O-CB 3.41Å; R394-A398 PolarHBondContact O-N 3.46Å; V396-A398 PolarHBondContact O-N 3.33Å; A398-N402 PolarHBondContact O-ND2 3.31Å
399	L	74.8	Confident	71.6	Confident	114 Å²	114	95.8 Å²	95.8	60%	0.597	50%	0.497	S	S	*	.	H	α-helix	trans	-69.2	-48.5	167.9	-70.6	170.4	0	0	0	109.5	T395 V396 N402	T395-L399 WeakPolarHBondContact O-CG 3.44Å; T395-L399 PolarHBondContact O-N 3.35Å; V396-L399 WeakPolarHBondContact O-CA 3.29Å; V396-L399 WeakPolarHBondContact O-CB 3.48Å; V396-L399 PolarHBondContact O-N 3.42Å; L399-N402 WeakPolarHBondContact O-CB 3.21Å; L399-N402 PolarHBondContact O-N 2.95Å; L399-N402 VanDerWaalsContact O-N 3.11Å
400	T	74.3	Confident	69.5	Low	12 Å²	12	97 Å²	97	7%	0.074	51%	0.507	C	S	.	.	H	α-helix	trans	-55.3	-59.9	-175	-65.8	0	0	0	0	111.2	E185 D186 E187 V396 N402 L403	E185-T400 WeakPolarHBondContact O-CG2 3.27Å; D186-T400 VanDerWaalsContact C-C 3.47Å; D186-T400 CarbonylContact C-O 3.32Å; D186-T400 VanDerWaalsContact C-O 3.32Å; D186-T400 CarbonylContact O-C 3.41Å; E187-T400 PolarHBondContact N-O 3.38Å; E187-T400 WeakPolarHBondContact O-CA 3.46Å; V396-T400 WeakPolarHBondContact CG1-OG1 3.3Å; V396-T400 WeakPolarHBondContact O-CB 3.07Å; V396-T400 PolarHBondContact O-N 3.28Å; V396-T400 PolarHBondContact O-OG1 3.11Å; T400-N402 PolarHBondContact O-N 3.35Å; T400-L403 PolarHBondContact O-N 3.39Å
401	T	66.3	Low	66.7	Low	29 Å²	29	98.6 Å²	98.6	18%	0.178	53%	0.526	C	S	.	.	H	α-helix	trans	-62.7	-1.5	177.3	57.5	0	0	0	0	116.5	E185 E397 R405	E185-T401 WeakPolarHBondContact O-CG2 3.36Å; E397-T401 WeakPolarHBondContact O-CB 3.2Å; E397-T401 WeakPolarHBondContact O-CG2 3.37Å; E397-T401 PolarHBondContact O-N 2.86Å; E397-T401 PolarHBondContact O-OG1 3.33Å; T401-R405 WeakPolarHBondContact O-CG 3.24Å; T401-R405 PolarHBondContact O-NH1 2.91Å
402	N	64.6	Low	64.4	Low	109 Å²	109	103.4 Å²	103.4	58%	0.583	54%	0.54	S	S	*	.	H	α-helix	trans	-92.2	-24.2	169.6	-79.2	-78.1	0	0	0	113.4	A398 L399 T400 S406	A398-N402 PolarHBondContact O-ND2 3.31Å; L399-N402 WeakPolarHBondContact O-CB 3.21Å; L399-N402 PolarHBondContact O-N 2.95Å; L399-N402 VanDerWaalsContact O-N 3.11Å; T400-N402 PolarHBondContact O-N 3.35Å; N402-S406 PolarHBondContact O-N 2.94Å
403	L	61.2	Low	61.9	Low	63 Å²	63	98.3 Å²	98.3	33%	0.33	54%	0.542	S	S	.	.	H	α-helix	trans	-74.7	-45.3	177.3	-164.5	66.1	0	0	0	111.3	E187 D188 T400 R405 S406 V407	E187-L403 HydrophobicContact CB-CB 4.07Å; E187-L403 HydrophobicContact CB-CD2 3.8Å; E187-L403 HydrophobicContact CB-CG 4.29Å; E187-L403 WeakPolarHBondContact O-CB 3.3Å; E187-L403 WeakPolarHBondContact OE2-CG 3.43Å; D188-L403 HydrophobicContact CB-CD2 3.96Å; T400-L403 PolarHBondContact O-N 3.39Å; L403-R405 PolarHBondContact O-N 3.07Å; L403-S406 WeakPolarHBondContact O-CA 3.48Å; L403-S406 VanDerWaalsContact O-CB 3.25Å; L403-S406 WeakPolarHBondContact O-CB 3.36Å; L403-S406 PolarHBondContact O-N 2.98Å; L403-S406 PolarHBondContact O-OG 3.18Å; L403-V407 PolarHBondContact O-N 2.87Å
404	A	53.8	Low	59.7	Low	28 Å²	28	98.7 Å²	98.7	23%	0.231	56%	0.555	C	S	.	*	H	α-helix	trans	-58.2	-35.2	176.8	0	0	0	0	0	112.9	D186 E187 S406 V407 T408	D186-A404 WeakPolarHBondContact O-CB 3.5Å; E187-A404 HydrophobicContact CG-CB 4.45Å; E187-A404 VanDerWaalsContact OE2-CA 3.26Å; E187-A404 WeakPolarHBondContact OE2-CA 3.5Å; E187-A404 PolarHBondContact OE2-N 2.93Å; A404-S406 VanDerWaalsContact C-N 3.29Å; A404-S406 PolarHBondContact O-N 3.31Å; A404-V407 PolarHBondContact O-N 3.16Å; A404-T408 PolarHBondContact O-OG1 3.28Å
405	R	58	Low	57.9	Low	171 Å²	171	96.5 Å²	96.5	65%	0.645	56%	0.562	S	S	*	*	H	α-helix	trans	-73.1	-16.1	173.6	-69.4	-172.8	-179.8	101.8	-1	114	T401 L403	T401-R405 WeakPolarHBondContact O-CG 3.24Å; T401-R405 PolarHBondContact O-NH1 2.91Å; L403-R405 PolarHBondContact O-N 3.07Å
406	S	48.8	Very low	55.8	Low	82 Å²	82	97.6 Å²	97.6	57%	0.573	57%	0.571	S	S	*	*	H	α-helix	trans	-82.8	-27.1	174.4	84.9	0	0	0	0	113	N402 L403 A404 T408	N402-S406 PolarHBondContact O-N 2.94Å; L403-S406 WeakPolarHBondContact O-CA 3.48Å; L403-S406 VanDerWaalsContact O-CB 3.25Å; L403-S406 WeakPolarHBondContact O-CB 3.36Å; L403-S406 PolarHBondContact O-N 2.98Å; L403-S406 PolarHBondContact O-OG 3.18Å; A404-S406 VanDerWaalsContact C-N 3.29Å; A404-S406 PolarHBondContact O-N 3.31Å; S406-T408 VanDerWaalsContact C-N 3.33Å; S406-T408 PolarHBondContact O-N 3.27Å
407	V	52.6	Low	53.6	Low	102 Å²	102	97.3 Å²	97.3	62%	0.618	59%	0.585	S	S	*	*	H	α-helix	trans	-74.9	-20.9	-178.3	178.3	0	0	0	0	112.5	L403 A404	L403-V407 PolarHBondContact O-N 2.87Å; A404-V407 PolarHBondContact O-N 3.16Å
408	T	46.9	Very low	51.7	Low	102 Å²	102	98.7 Å²	98.7	63%	0.626	59%	0.594	S	S	*	*	S	Bend	trans	-118.1	42.8	-158.4	48.3	0	0	0	0	116.8	A404 S406	A404-T408 PolarHBondContact O-OG1 3.28Å; S406-T408 VanDerWaalsContact C-N 3.33Å; S406-T408 PolarHBondContact O-N 3.27Å
409	L	38.4	Very low	50.2	Low	156 Å²	156	105.6 Å²	105.6	82%	0.817	62%	0.615	S	S	*	*			trans	-140	133.1	165	-95.3	174.8	0	0	0	114.6	S411	L409-S411 PolarHBondContact O-N 2.89Å
410	P	49	Very low	49	Very low	107 Å²	107	109.6 Å²	109.6	70%	0.695	62%	0.622	S	S	*	*			trans	-86	104	-174.8	32.9	-33.5	0	0	0	113.2	Y412	P410-Y412 PolarHBondContact O-N 3.45Å
411	S	29.6	Very low	48.2	Very low	119 Å²	119	114.9 Å²	114.9	83%	0.832	65%	0.649	S	S	*	*			trans	-80.4	112.8	177.5	-168.5	0	0	0	0	113.2	L409 G413	L409-S411 PolarHBondContact O-N 2.89Å; S411-G413 PolarHBondContact O-N 3.37Å
412	Y	41.6	Very low	47.9	Very low	232 Å²	232	124.9 Å²	124.9	91%	0.91	68%	0.684	S	S	*	*			trans	-74.1	107.2	171	-86.4	-105.9	0	0	0	110.9	P410	P410-Y412 PolarHBondContact O-N 3.45Å
413	G	35.3	Very low	47.4	Very low	69 Å²	69	122.7 Å²	122.7	71%	0.711	67%	0.672	S	S	*	*			trans	-174.8	72.3	-179.6	0	0	0	0	0	117.7	S411	S411-G413 PolarHBondContact O-N 3.37Å
414	S	40.1	Very low	47.7	Very low	115 Å²	115	123.5 Å²	123.5	80%	0.804	68%	0.681	S	S	*	*			trans	-21.2	143.2	162.8	-78.8	0	0	0	0	117.5
415	P	44.8	Very low	48.2	Very low	119 Å²	119	128.7 Å²	128.7	77%	0.773	72%	0.716	S	S	*	*			cis	-128	155.4	44.6	39.5	-28.4	0	0	0	116.1	G417	P415-G417 PolarHBondContact O-N 3.29Å
416	P	42.1	Very low	49.2	Very low	108 Å²	108	132.1 Å²	132.1	70%	0.701	73%	0.729	S	S	*	*			trans	-71.1	101.9	175.2	30.1	-34.3	0	0	0	110.5	N418	P416-N418 HydrophobicContact CB-CB 4.44Å; P416-N418 PolarHBondContact O-N 2.87Å
417	G	41	Very low	50.4	Low	75 Å²	75	132.7 Å²	132.7	77%	0.773	72%	0.719	S	S	*	*			trans	-65.8	56	159.7	0	0	0	0	0	111.3	P415 K419	P415-G417 PolarHBondContact O-N 3.29Å; G417-K419 PolarHBondContact O-N 3.26Å
418	N	43.1	Very low	51.5	Low	108 Å²	108	132.7 Å²	132.7	58%	0.578	72%	0.721	S	S	*	*			trans	-63.3	102.8	-169.1	-174.6	-21.2	0	0	0	109.2	P416 R420	P416-N418 HydrophobicContact CB-CB 4.44Å; P416-N418 PolarHBondContact O-N 2.87Å; N418-R420 HydrophobicContact CB-CG 4.41Å; N418-R420 PolarHBondContact O-N 3.08Å; N418-R420 WeakPolarHBondContact OD1-CA 3.31Å; N418-R420 PolarHBondContact OD1-N 2.83Å; N418-R420 VanDerWaalsContact OD1-N 3.12Å
419	K	48.1	Very low	52.9	Low	197 Å²	197	133.4 Å²	133.4	86%	0.857	72%	0.715	S	S	*	*			trans	-63.2	75.6	160.4	-71.6	179.7	-178.7	172	0	107.5	G417 N421	G417-K419 PolarHBondContact O-N 3.26Å; K419-N421 PolarHBondContact O-N 2.89Å
420	R	50.5	Low	54.4	Low	199 Å²	199	134.3 Å²	134.3	75%	0.751	72%	0.721	S	S	*	*			trans	-56.7	103.3	176.1	-77.8	179.2	167.6	137.5	-5.7	107.1	N418 R422	N418-R420 HydrophobicContact CB-CG 4.41Å; N418-R420 PolarHBondContact O-N 3.08Å; N418-R420 WeakPolarHBondContact OD1-CA 3.31Å; N418-R420 PolarHBondContact OD1-N 2.83Å; N418-R420 VanDerWaalsContact OD1-N 3.12Å; R420-R422 WeakPolarHBondContact O-CG 3.44Å; R420-R422 PolarHBondContact O-N 3.24Å
421	N	57.2	Low	55.8	Low	122 Å²	122	133.5 Å²	133.5	65%	0.652	71%	0.71	S	S	*	*			trans	-48.6	110.6	157.8	-70.4	-25	0	0	0	105.4	K419 N423	K419-N421 PolarHBondContact O-N 2.89Å; N421-N423 PolarHBondContact O-N 3.49Å
422	R	58.8	Low	58.3	Low	239 Å²	239	129.3 Å²	129.3	90%	0.902	68%	0.68	S	S	*	*			trans	-78.8	66.7	-175.2	-64.8	-174.5	76.9	-176	4.2	108.3	R420	R420-R422 WeakPolarHBondContact O-CG 3.44Å; R420-R422 PolarHBondContact O-N 3.24Å
423	N	55.2	Low	60.2	Low	64 Å²	64	120 Å²	120	34%	0.342	65%	0.649	S	S	.	*			trans	-46.5	129.8	164.3	-66.4	1.7	0	0	0	106.6	N421 S425 P433	N421-N423 PolarHBondContact O-N 3.49Å; N423-S425 PolarHBondContact O-N 3.03Å; N423-P433 WeakPolarHBondContact OD1-CD 3.43Å
424	P	66.1	Low	62.4	Low	79 Å²	79	121 Å²	121	51%	0.513	64%	0.641	S	S	.	*			trans	-58.2	139	176	24.8	-31.7	0	0	0	108	W426 W427	P424-W426 PolarHBondContact O-N 3.31Å; P424-W427 HydrophobicContact CG-CB 4.31Å; P424-W427 WeakPolarHBondContact O-CB 3.49Å; P424-W427 PolarHBondContact O-N 3.5Å
425	S	65	Low	64.6	Low	138 Å²	138	118.4 Å²	118.4	97%	0.965	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	21	-169.6	59.3	0	0	0	0	115.1	N423	N423-S425 PolarHBondContact O-N 3.03Å
426	W	78.8	Confident	66.7	Low	243 Å²	243	115.2 Å²	115.2	92%	0.92	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.9	1.2	178	-172.2	39.7	0	0	0	111.6	P424	P424-W426 PolarHBondContact O-N 3.31Å
427	W	74.6	Confident	68.9	Low	94 Å²	94	112.2 Å²	112.2	36%	0.356	58%	0.583	S	S	.	*			trans	-79.8	125.2	-179.1	-160.6	-112.2	0	0	0	111.6	P424 F429 I431 P433 L436	P424-W427 HydrophobicContact CG-CB 4.31Å; P424-W427 WeakPolarHBondContact O-CB 3.49Å; P424-W427 PolarHBondContact O-N 3.5Å; W427-F429 VanDerWaalsContact CD1-O 3.27Å; W427-I431 PolarHBondContact NE1-O 3.04Å; W427-I431 VanDerWaalsContact NE1-O 3.16Å; W427-P433 HydrophobicContact CD2-CG 4.1Å; W427-P433 HydrophobicContact CG-CG 4.21Å; W427-P433 HydrophobicContact CZ2-CB 4.12Å; W427-P433 HydrophobicContact CZ2-CG 4.32Å; W427-L436 HydrophobicContact CH2-CD2 3.82Å; W427-L436 HydrophobicContact CZ2-CB 4.28Å; W427-L436 HydrophobicContact CZ2-CD2 3.5Å; W427-L436 VanDerWaalsContact CZ2-CD2 3.5Å
428	P	74.9	Confident	71.3	Confident	101 Å²	101	115.8 Å²	115.8	66%	0.656	58%	0.578	S	S	*	*			trans	-96.5	8.2	-171	38.3	-37.2	0	0	0	114.7
429	F	76	Confident	73.6	Confident	117 Å²	117	113.6 Å²	113.6	51%	0.513	58%	0.575	S	S	.	*			trans	-121.8	140.7	-176.6	-56.9	-68.6	0	0	0	111.7	W427 I431	W427-F429 VanDerWaalsContact CD1-O 3.27Å; F429-I431 PolarHBondContact O-N 2.86Å
430	D	70.9	Confident	75.8	Confident	175 Å²	175	109 Å²	109	94%	0.936	56%	0.559	S	S	*	*	S	Bend	trans	-68.9	-12.5	174.4	-58.7	-63.5	0	0	0	113.2
431	I	79	Confident	77.9	Confident	91 Å²	91	104 Å²	104	47%	0.467	55%	0.546	S	S	.	.	S	Bend	trans	-79	126.8	175.4	-59.2	170.1	0	0	0	109.6	W427 F429	W427-I431 PolarHBondContact NE1-O 3.04Å; W427-I431 VanDerWaalsContact NE1-O 3.16Å; F429-I431 PolarHBondContact O-N 2.86Å
432	S	81.5	Confident	79.6	Confident	30 Å²	30	106.5 Å²	106.5	21%	0.21	55%	0.546	C	S	.	.			trans	-49	136.2	175	178	0	0	0	0	111.5	T434 S435 L436	S432-T434 PolarHBondContact O-N 2.8Å; S432-T434 PolarHBondContact OG-N 3.42Å; S432-T434 PolarHBondContact OG-OG1 3.06Å; S432-S435 WeakPolarHBondContact O-CA 3.45Å; S432-S435 WeakPolarHBondContact O-CB 3.19Å; S432-S435 PolarHBondContact O-N 3.48Å; S432-L436 PolarHBondContact O-N 2.89Å
433	P	81.8	Confident	81.3	Confident	37 Å²	37	98.6 Å²	98.6	24%	0.24	53%	0.525	C	S	.	.	H	α-helix	trans	-52.8	-31.2	175.3	-26.7	33.4	0	0	0	113.8	N423 W427 A437	N423-P433 WeakPolarHBondContact OD1-CD 3.43Å; W427-P433 HydrophobicContact CD2-CG 4.1Å; W427-P433 HydrophobicContact CG-CG 4.21Å; W427-P433 HydrophobicContact CZ2-CB 4.12Å; W427-P433 HydrophobicContact CZ2-CG 4.32Å; P433-A437 WeakPolarHBondContact O-CB 3.33Å; P433-A437 PolarHBondContact O-N 2.83Å
434	T	81.1	Confident	83.2	Confident	90 Å²	90	102.1 Å²	102.1	55%	0.552	54%	0.538	S	S	*	.	H	α-helix	trans	-66.7	-41.1	173.5	54.5	0	0	0	0	112.5	S432 A437 F438	S432-T434 PolarHBondContact O-N 2.8Å; S432-T434 PolarHBondContact OG-N 3.42Å; S432-T434 PolarHBondContact OG-OG1 3.06Å; T434-A437 WeakPolarHBondContact O-CB 3.09Å; T434-A437 PolarHBondContact O-N 2.82Å; T434-F438 WeakPolarHBondContact O-CD2 3.42Å; T434-F438 PolarHBondContact O-N 3.03Å
435	S	86.8	Confident	84.5	Confident	61 Å²	61	101 Å²	101	43%	0.427	53%	0.529	S	S	.	.	H	α-helix	trans	-68.7	-39	178	179.7	0	0	0	0	111.6	S432 A437 F438 A439	S432-S435 WeakPolarHBondContact O-CA 3.45Å; S432-S435 WeakPolarHBondContact O-CB 3.19Å; S432-S435 PolarHBondContact O-N 3.48Å; S435-A437 PolarHBondContact O-N 2.92Å; S435-F438 PolarHBondContact O-N 2.98Å; S435-A439 WeakPolarHBondContact O-CB 3.34Å; S435-A439 PolarHBondContact O-N 3.31Å
436	L	87.7	Confident	85.9	Confident	52 Å²	52	96.9 Å²	96.9	27%	0.272	50%	0.498	S	S	.	.	H	α-helix	trans	-64.1	-40.7	171.6	-170.1	71.5	0	0	0	111.7	W427 S432 F438 A439 I440	W427-L436 HydrophobicContact CH2-CD2 3.82Å; W427-L436 HydrophobicContact CZ2-CB 4.28Å; W427-L436 HydrophobicContact CZ2-CD2 3.5Å; W427-L436 VanDerWaalsContact CZ2-CD2 3.5Å; S432-L436 PolarHBondContact O-N 2.89Å; L436-F438 PolarHBondContact O-N 2.86Å; L436-A439 PolarHBondContact O-N 2.9Å; L436-I440 HydrophobicContact CD1-CD1 4.5Å; L436-I440 HydrophobicContact CD2-CD1 4.29Å; L436-I440 HydrophobicContact CG-CD1 3.92Å; L436-I440 HydrophobicContact CG-CG1 4.47Å; L436-I440 WeakPolarHBondContact O-CG1 3.47Å; L436-I440 PolarHBondContact O-N 2.98Å
437	A	89.1	Confident	86.6	Confident	44 Å²	44	90.4 Å²	90.4	36%	0.364	48%	0.479	S	S	.	.	H	α-helix	trans	-60.5	-44.1	174.7	0	0	0	0	0	111.6	P433 T434 S435 I440 I441	P433-A437 WeakPolarHBondContact O-CB 3.33Å; P433-A437 PolarHBondContact O-N 2.83Å; T434-A437 WeakPolarHBondContact O-CB 3.09Å; T434-A437 PolarHBondContact O-N 2.82Å; S435-A437 PolarHBondContact O-N 2.92Å; A437-I440 PolarHBondContact O-N 3.18Å; A437-I441 WeakPolarHBondContact O-CB 3.48Å; A437-I441 WeakPolarHBondContact O-CD1 3.43Å; A437-I441 WeakPolarHBondContact O-CG1 3.48Å; A437-I441 PolarHBondContact O-N 3.11Å
438	F	91.4	Very high	87.5	Confident	150 Å²	150	93.4 Å²	93.4	66%	0.658	49%	0.49	S	S	*	.	H	α-helix	trans	-60.5	-45.7	172.5	-76	-62	0	0	0	112.1	T434 S435 L436 I440 I441 W442	T434-F438 WeakPolarHBondContact O-CD2 3.42Å; T434-F438 PolarHBondContact O-N 3.03Å; S435-F438 PolarHBondContact O-N 2.98Å; L436-F438 PolarHBondContact O-N 2.86Å; F438-I440 VanDerWaalsContact C-N 3.31Å; F438-I440 PolarHBondContact O-N 3.41Å; F438-I441 PolarHBondContact O-N 2.76Å; F438-W442 VanDerWaalsContact O-CB 3.26Å; F438-W442 WeakPolarHBondContact O-CB 3.27Å; F438-W442 PolarHBondContact O-N 3.41Å
439	A	91.4	Very high	88.4	Confident	62 Å²	62	93 Å²	93	51%	0.512	48%	0.482	S	S	.	.	H	α-helix	trans	-61.3	-35.9	178.8	0	0	0	0	0	113.4	S435 L436 P443	S435-A439 WeakPolarHBondContact O-CB 3.34Å; S435-A439 PolarHBondContact O-N 3.31Å; L436-A439 PolarHBondContact O-N 2.9Å; A439-P443 VanDerWaalsContact O-CD 3.23Å; A439-P443 WeakPolarHBondContact O-CD 3.47Å
440	I	93.1	Very high	89.2	Confident	102 Å²	102	91.5 Å²	91.5	52%	0.523	48%	0.478	S	S	.	.	H	α-helix	trans	-73.9	-36.6	175.7	-67.7	168.2	0	0	0	111.5	L436 A437 F438 P443 F444	L436-I440 HydrophobicContact CD1-CD1 4.5Å; L436-I440 HydrophobicContact CD2-CD1 4.29Å; L436-I440 HydrophobicContact CG-CD1 3.92Å; L436-I440 HydrophobicContact CG-CG1 4.47Å; L436-I440 WeakPolarHBondContact O-CG1 3.47Å; L436-I440 PolarHBondContact O-N 2.98Å; A437-I440 PolarHBondContact O-N 3.18Å; F438-I440 VanDerWaalsContact C-N 3.31Å; F438-I440 PolarHBondContact O-N 3.41Å; I440-P443 WeakPolarHBondContact O-CD 3.37Å; I440-P443 WeakPolarHBondContact O-CG 3.38Å; I440-F444 WeakPolarHBondContact O-CD2 3.37Å; I440-F444 WeakPolarHBondContact O-CE2 3.44Å
441	I	94.9	Very high	90.1	Very high	93 Å²	93	91 Å²	91	48%	0.477	46%	0.463	S	S	.	.	H	α-helix	trans	-79	-33.3	-178.7	-70.1	166.9	0	0	0	112	A437 F438 F444 V445	A437-I441 WeakPolarHBondContact O-CB 3.48Å; A437-I441 WeakPolarHBondContact O-CD1 3.43Å; A437-I441 WeakPolarHBondContact O-CG1 3.48Å; A437-I441 PolarHBondContact O-N 3.11Å; F438-I441 PolarHBondContact O-N 2.76Å; I441-F444 WeakPolarHBondContact O-CB 3.47Å; I441-F444 PolarHBondContact O-N 2.84Å; I441-V445 HydrophobicContact CG2-CG2 3.73Å; I441-V445 PolarHBondContact O-N 2.98Å; I441-V445 VanDerWaalsContact O-N 3.1Å
442	W	94.1	Very high	90.6	Very high	175 Å²	175	89.9 Å²	89.9	66%	0.663	46%	0.458	S	S	*	.	H	α-helix	trans	-48.3	-50.6	-177.4	-171.6	-110.7	0	0	0	115.2	F438 F444 V445 V446	F438-W442 VanDerWaalsContact O-CB 3.26Å; F438-W442 WeakPolarHBondContact O-CB 3.27Å; F438-W442 PolarHBondContact O-N 3.41Å; W442-F444 PolarHBondContact O-N 2.88Å; W442-V445 PolarHBondContact O-N 3.16Å; W442-V445 VanDerWaalsContact O-N 3.11Å; W442-V446 HydrophobicContact CD2-CG2 4.15Å; W442-V446 HydrophobicContact CG-CG2 4.36Å; W442-V446 HydrophobicContact CZ2-CG2 4.12Å; W442-V446 WeakPolarHBondContact O-CG2 3.35Å; W442-V446 PolarHBondContact O-N 3.23Å
443	P	94.6	Very high	91	Very high	72 Å²	72	94.6 Å²	94.6	47%	0.468	47%	0.472	S	S	.	.	H	α-helix	trans	-60.2	-32.8	178.5	22.9	-34.6	0	0	0	113.2	A439 I440 Q447	A439-P443 VanDerWaalsContact O-CD 3.23Å; A439-P443 WeakPolarHBondContact O-CD 3.47Å; I440-P443 WeakPolarHBondContact O-CD 3.37Å; I440-P443 WeakPolarHBondContact O-CG 3.38Å; P443-Q447 VanDerWaalsContact O-CB 3.23Å; P443-Q447 WeakPolarHBondContact O-CB 3.26Å; P443-Q447 PolarHBondContact O-N 3.19Å
444	F	94.6	Very high	91.2	Very high	138 Å²	138	98.6 Å²	98.6	61%	0.605	49%	0.486	S	S	*	.	H	α-helix	trans	-72.9	-38	175.9	-61	-82.7	0	0	0	112	I440 I441 W442 Q447 W448	I440-F444 WeakPolarHBondContact O-CD2 3.37Å; I440-F444 WeakPolarHBondContact O-CE2 3.44Å; I441-F444 WeakPolarHBondContact O-CB 3.47Å; I441-F444 PolarHBondContact O-N 2.84Å; W442-F444 PolarHBondContact O-N 2.88Å; F444-Q447 PolarHBondContact O-N 3.45Å; F444-W448 VanDerWaalsContact O-CB 3.24Å; F444-W448 WeakPolarHBondContact O-CB 3.37Å; F444-W448 PolarHBondContact O-N 3.33Å
445	V	93.7	Very high	91	Very high	55 Å²	55	99.4 Å²	99.4	33%	0.333	48%	0.483	S	S	.	.	H	α-helix	trans	-64.3	-47.8	174.4	176.4	0	0	0	0	110.4	I441 W442 Q447 W448 L449	I441-V445 HydrophobicContact CG2-CG2 3.73Å; I441-V445 PolarHBondContact O-N 2.98Å; I441-V445 VanDerWaalsContact O-N 3.1Å; W442-V445 PolarHBondContact O-N 3.16Å; W442-V445 VanDerWaalsContact O-N 3.11Å; V445-Q447 PolarHBondContact O-N 3.44Å; V445-W448 PolarHBondContact O-N 2.79Å; V445-L449 HydrophobicContact CG1-CD1 4.11Å; V445-L449 HydrophobicContact CG1-CG 4.48Å; V445-L449 WeakPolarHBondContact O-CG 3.25Å; V445-L449 PolarHBondContact O-N 2.64Å
446	V	95	Very high	90.5	Very high	52 Å²	52	102.4 Å²	102.4	32%	0.315	49%	0.488	S	S	.	.	H	α-helix	trans	-60.3	-45.9	176	172.7	0	0	0	0	110.9	W442 W448 L449 I450	W442-V446 HydrophobicContact CD2-CG2 4.15Å; W442-V446 HydrophobicContact CG-CG2 4.36Å; W442-V446 HydrophobicContact CZ2-CG2 4.12Å; W442-V446 WeakPolarHBondContact O-CG2 3.35Å; W442-V446 PolarHBondContact O-N 3.23Å; V446-W448 VanDerWaalsContact C-N 3.3Å; V446-W448 PolarHBondContact O-N 2.67Å; V446-L449 PolarHBondContact O-N 3.03Å; V446-I450 HydrophobicContact CG1-CD1 3.79Å; V446-I450 HydrophobicContact CG1-CG1 4.49Å; V446-I450 WeakPolarHBondContact O-CB 3.45Å; V446-I450 VanDerWaalsContact O-CG1 3.27Å; V446-I450 WeakPolarHBondContact O-CG1 3.18Å; V446-I450 PolarHBondContact O-N 2.57Å
447	Q	91.7	Very high	89.8	Confident	108 Å²	108	106.3 Å²	106.3	51%	0.505	50%	0.5	S	S	.	.	H	α-helix	trans	-67.5	-29.2	178.3	-164	175.4	40.2	0	0	112.9	P443 F444 V445 R451	P443-Q447 VanDerWaalsContact O-CB 3.23Å; P443-Q447 WeakPolarHBondContact O-CB 3.26Å; P443-Q447 PolarHBondContact O-N 3.19Å; F444-Q447 PolarHBondContact O-N 3.45Å; V445-Q447 PolarHBondContact O-N 3.44Å; Q447-R451 WeakPolarHBondContact O-CB 3.5Å; Q447-R451 VanDerWaalsContact O-CG 3.29Å; Q447-R451 WeakPolarHBondContact O-CG 3.41Å; Q447-R451 PolarHBondContact O-N 3.06Å
448	W	93.9	Very high	88.7	Confident	156 Å²	156	114 Å²	114	59%	0.591	52%	0.519	S	S	*	.	H	α-helix	trans	-71.5	-44	172	178.7	82.2	0	0	0	112.1	F444 V445 V446 R451 L452	F444-W448 VanDerWaalsContact O-CB 3.24Å; F444-W448 WeakPolarHBondContact O-CB 3.37Å; F444-W448 PolarHBondContact O-N 3.33Å; V445-W448 PolarHBondContact O-N 2.79Å; V446-W448 VanDerWaalsContact C-N 3.3Å; V446-W448 PolarHBondContact O-N 2.67Å; W448-R451 WeakPolarHBondContact O-CB 3.34Å; W448-R451 PolarHBondContact O-N 3.11Å; W448-R451 VanDerWaalsContact O-N 3.17Å; W448-L452 HydrophobicContact CD2-CD1 4Å; W448-L452 HydrophobicContact CD2-CG 4.37Å; W448-L452 HydrophobicContact CE3-CD1 3.9Å; W448-L452 HydrophobicContact CH2-CD1 3.53Å; W448-L452 HydrophobicContact CZ2-CD1 3.6Å; W448-L452 HydrophobicContact CZ2-CG 4.4Å; W448-L452 HydrophobicContact CZ3-CD1 3.67Å; W448-L452 PolarHBondContact O-N 2.84Å
449	L	93.9	Very high	87.4	Confident	94 Å²	94	116.6 Å²	116.6	49%	0.492	53%	0.525	S	S	.	.	H	α-helix	trans	-61.2	-43.7	174	-70.7	171.8	0	0	0	111.7	V445 V446 R451 L452 Y453	V445-L449 HydrophobicContact CG1-CD1 4.11Å; V445-L449 HydrophobicContact CG1-CG 4.48Å; V445-L449 WeakPolarHBondContact O-CG 3.25Å; V445-L449 PolarHBondContact O-N 2.64Å; V446-L449 PolarHBondContact O-N 3.03Å; L449-R451 VanDerWaalsContact C-N 3.33Å; L449-R451 PolarHBondContact O-N 2.86Å; L449-L452 PolarHBondContact O-N 3.3Å; L449-Y453 WeakPolarHBondContact O-CB 3.42Å; L449-Y453 PolarHBondContact O-N 2.75Å
450	I	93.2	Very high	85.9	Confident	84 Å²	84	119.4 Å²	119.4	43%	0.431	52%	0.522	S	S	.	.	H	α-helix	trans	-60.2	-42.6	173.6	-69.6	166.7	0	0	0	110.8	V446 Y453 F454	V446-I450 HydrophobicContact CG1-CD1 3.79Å; V446-I450 HydrophobicContact CG1-CG1 4.49Å; V446-I450 WeakPolarHBondContact O-CB 3.45Å; V446-I450 VanDerWaalsContact O-CG1 3.27Å; V446-I450 WeakPolarHBondContact O-CG1 3.18Å; V446-I450 PolarHBondContact O-N 2.57Å; I450-Y453 PolarHBondContact O-N 2.85Å; I450-F454 HydrophobicContact CG2-CD2 3.76Å; I450-F454 HydrophobicContact CG2-CE2 3.77Å; I450-F454 VanDerWaalsContact O-CD2 3.29Å; I450-F454 WeakPolarHBondContact O-CD2 3.39Å; I450-F454 PolarHBondContact O-N 3.39Å
451	R	89.4	Confident	84.1	Confident	166 Å²	166	120.5 Å²	120.5	63%	0.626	53%	0.528	S	S	*	.	H	α-helix	trans	-63.2	-41.2	174.5	-79.2	175.5	176.6	-167.2	1.7	112.3	Q447 W448 L449 F454 Q455	Q447-R451 WeakPolarHBondContact O-CB 3.5Å; Q447-R451 VanDerWaalsContact O-CG 3.29Å; Q447-R451 WeakPolarHBondContact O-CG 3.41Å; Q447-R451 PolarHBondContact O-N 3.06Å; W448-R451 WeakPolarHBondContact O-CB 3.34Å; W448-R451 PolarHBondContact O-N 3.11Å; W448-R451 VanDerWaalsContact O-N 3.17Å; L449-R451 VanDerWaalsContact C-N 3.33Å; L449-R451 PolarHBondContact O-N 2.86Å; R451-F454 PolarHBondContact O-N 2.91Å; R451-Q455 WeakPolarHBondContact O-CB 3.2Å; R451-Q455 VanDerWaalsContact O-CG 3.29Å; R451-Q455 WeakPolarHBondContact O-CG 3.47Å; R451-Q455 PolarHBondContact O-N 2.93Å
452	L	89.8	Confident	81.7	Confident	67 Å²	67	125.6 Å²	125.6	35%	0.351	56%	0.556	S	S	.	*	H	α-helix	trans	-64.1	-43.1	174.9	-75.1	-177.6	0	0	0	112	W448 L449 Q455 K456	W448-L452 HydrophobicContact CD2-CD1 4Å; W448-L452 HydrophobicContact CD2-CG 4.37Å; W448-L452 HydrophobicContact CE3-CD1 3.9Å; W448-L452 HydrophobicContact CH2-CD1 3.53Å; W448-L452 HydrophobicContact CZ2-CD1 3.6Å; W448-L452 HydrophobicContact CZ2-CG 4.4Å; W448-L452 HydrophobicContact CZ3-CD1 3.67Å; W448-L452 PolarHBondContact O-N 2.84Å; L449-L452 PolarHBondContact O-N 3.3Å; L452-Q455 PolarHBondContact O-N 2.78Å; L452-K456 WeakPolarHBondContact O-CB 3.33Å; L452-K456 PolarHBondContact O-N 2.92Å
453	Y	90.4	Very high	81.1	Confident	128 Å²	128	123.2 Å²	123.2	50%	0.502	55%	0.551	S	S	.	*	H	α-helix	trans	-58.4	-49.2	175.6	177.3	-94	0	0	0	111.3	L449 I450 Q455 K456 R457	L449-Y453 WeakPolarHBondContact O-CB 3.42Å; L449-Y453 PolarHBondContact O-N 2.75Å; I450-Y453 PolarHBondContact O-N 2.85Å; Y453-Q455 PolarHBondContact O-N 2.98Å; Y453-K456 PolarHBondContact O-N 2.96Å; Y453-R457 WeakPolarHBondContact O-CB 3.41Å; Y453-R457 PolarHBondContact O-N 2.84Å
454	F	86.3	Confident	80.3	Confident	122 Å²	122	125.8 Å²	125.8	54%	0.535	56%	0.555	S	S	.	*	H	α-helix	trans	-67.4	-31.5	175.9	-79.4	-65.4	0	0	0	113.7	I450 R451 R458	I450-F454 HydrophobicContact CG2-CD2 3.76Å; I450-F454 HydrophobicContact CG2-CE2 3.77Å; I450-F454 VanDerWaalsContact O-CD2 3.29Å; I450-F454 WeakPolarHBondContact O-CD2 3.39Å; I450-F454 PolarHBondContact O-N 3.39Å; R451-F454 PolarHBondContact O-N 2.91Å; F454-R458 WeakPolarHBondContact O-CB 3.39Å; F454-R458 PolarHBondContact O-N 2.74Å
455	Q	76.9	Confident	79.6	Confident	106 Å²	106	125.2 Å²	125.2	50%	0.495	55%	0.552	S	S	.	*	H	α-helix	trans	-68	-44.7	171.9	-78.6	-179.1	-2.6	0	0	112	R451 L452 Y453 R457 R458 R459	R451-Q455 WeakPolarHBondContact O-CB 3.2Å; R451-Q455 VanDerWaalsContact O-CG 3.29Å; R451-Q455 WeakPolarHBondContact O-CG 3.47Å; R451-Q455 PolarHBondContact O-N 2.93Å; L452-Q455 PolarHBondContact O-N 2.78Å; Y453-Q455 PolarHBondContact O-N 2.98Å; Q455-R457 VanDerWaalsContact C-N 3.33Å; Q455-R457 PolarHBondContact O-N 3.48Å; Q455-R458 PolarHBondContact O-N 3.12Å; Q455-R459 WeakPolarHBondContact O-CG 3.39Å; Q455-R459 PolarHBondContact O-N 2.92Å
456	K	75.1	Confident	78.7	Confident	124 Å²	124	129.3 Å²	129.3	54%	0.539	57%	0.565	S	S	.	*	H	α-helix	trans	-59.1	-45.1	174.3	-169.9	-173	179.7	-163.8	0	110.3	E287 L452 Y453 R459	E287-K456 IonicContact OE2-NZ 2.7Å; L452-K456 WeakPolarHBondContact O-CB 3.33Å; L452-K456 PolarHBondContact O-N 2.92Å; Y453-K456 PolarHBondContact O-N 2.96Å; K456-R459 PolarHBondContact O-N 2.75Å
457	R	74.3	Confident	77.7	Confident	134 Å²	134	134.1 Å²	134.1	51%	0.506	58%	0.581	S	S	.	*	H	α-helix	trans	-66.5	-37.4	178.1	-168.2	168.9	178.8	167	-1.5	113.3	Y453 Q455 R459 R460 I461	Y453-R457 WeakPolarHBondContact O-CB 3.41Å; Y453-R457 PolarHBondContact O-N 2.84Å; Q455-R457 VanDerWaalsContact C-N 3.33Å; Q455-R457 PolarHBondContact O-N 3.48Å; R457-R459 VanDerWaalsContact C-N 3.28Å; R457-R459 PolarHBondContact O-N 3.38Å; R457-R460 PolarHBondContact O-N 2.74Å; R457-I461 HydrophobicContact CG-CD1 4.39Å
458	R	65.7	Low	76.8	Confident	207 Å²	207	135.9 Å²	135.9	78%	0.781	59%	0.586	S	S	*	*	H	α-helix	trans	-66.3	-25.6	173.8	-93.3	-172.8	170	-177.5	-2.7	113.8	F454 Q455 R460	F454-R458 WeakPolarHBondContact O-CB 3.39Å; F454-R458 PolarHBondContact O-N 2.74Å; Q455-R458 PolarHBondContact O-N 3.12Å; R458-R460 PolarHBondContact O-N 2.98Å
459	R	63.5	Low	75.6	Confident	204 Å²	204	134.4 Å²	134.4	77%	0.77	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	12.9	174.2	-65.9	179.5	-174	179.2	2.7	114.3	Q455 K456 R457	Q455-R459 WeakPolarHBondContact O-CG 3.39Å; Q455-R459 PolarHBondContact O-N 2.92Å; K456-R459 PolarHBondContact O-N 2.75Å; R457-R459 VanDerWaalsContact C-N 3.28Å; R457-R459 PolarHBondContact O-N 3.38Å
460	R	59.3	Low	74.1	Confident	121 Å²	121	137.5 Å²	137.5	46%	0.457	59%	0.593	S	S	.	*	T	Hydrogen-bonded Turn	trans	-126.1	16.1	173	-62.1	-166.7	-175.7	131.9	-16.2	113.2	E287 R457 R458	E287-R460 IonicContact OE1-CZ 2.61Å; E287-R460 IonicContact OE1-NH1 2.78Å; E287-R460 PolarHBondContact OE1-NH1 3.34Å; E287-R460 IonicContact OE1-NH2 2.7Å; E287-R460 IonicContact OE2-CZ 2.72Å; E287-R460 VanDerWaalsContact OE2-CZ 3.23Å; E287-R460 IonicContact OE2-NH1 2.62Å; E287-R460 PolarHBondContact OE2-NH1 3.42Å; E287-R460 IonicContact OE2-NH2 2.88Å; E287-R460 PolarHBondContact OE2-NH2 3.35Å; R457-R460 PolarHBondContact O-N 2.74Å; R458-R460 PolarHBondContact O-N 2.98Å
461	I	56.8	Low	72.6	Confident	125 Å²	125	142 Å²	142	64%	0.641	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127	-16.7	-174.6	-62.8	173.3	0	0	0	111.3	R457	R457-I461 HydrophobicContact CG-CD1 4.39Å
462	N	43.2	Very low	71	Confident	200 Å²	200	139.8 Å²	139.8	100%	1.07	60%	0.604	S	S	*	*			trans	-113.9	0	159.8	-69.6	44.8	0	0	0	107.6

Retrieved 462 of 462 residues in 287.6 ms (Link to these results)

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